data_2din_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 2din _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 ' 15' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.849 0.357 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -56.34 -34.88 67.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 20' ' ' LEU . 26.9 mt-10 -70.07 -64.92 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 17' ' ' GLU . 7.5 mm-40 -37.37 -54.93 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 1.3 ptmt -62.47 -34.58 77.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 17' ' ' GLU . 27.2 tp -61.39 -52.55 64.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.966 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.523 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -55.82 -35.78 66.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.914 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.544 ' CD2' HD13 ' A' ' 26' ' ' LEU . 77.9 t60 -68.6 -58.54 4.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.828 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.409 HD12 ' CD1' ' A' ' 38' ' ' ILE . 4.3 mt -58.07 -58.71 7.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -40.35 -46.76 2.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -68.32 -42.41 79.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.544 HD13 ' CD2' ' A' ' 22' ' ' HIS . 9.4 mt -58.11 -54.49 46.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.443 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 30.1 mtm -135.0 82.94 41.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.579 0.704 . . . . 0.0 110.913 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -7.19 20.44 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.728 2.286 . . . . 0.0 112.298 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.0 p -119.23 18.7 12.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.443 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 89.2 mm-40 -127.44 37.56 4.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -52.7 -36.99 58.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -60.35 -21.58 62.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.42 ' C ' ' HD2' ' A' ' 36' ' ' PRO . 99.9 m -97.68 -39.43 9.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.179 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.7 mt -67.25 -31.83 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.196 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.48 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -53.19 -59.43 9.18 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.574 0.702 . . . . 0.0 111.128 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 54.0 Cg_endo -69.75 -14.52 36.22 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.637 2.225 . . . . 0.0 112.387 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 81.7 mt -88.45 -17.05 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.409 ' CD1' HD12 ' A' ' 23' ' ' LEU . 18.3 mt -110.45 -35.89 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.169 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.54 -31.91 3.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.509 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -90.74 169.87 10.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.856 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.9 p -79.22 162.7 25.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.469 ' N ' ' HB3' ' A' ' 35' ' ' ALA . . . -51.23 -51.09 57.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.9 -44.14 94.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -61.89 -44.75 96.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.0 m -62.0 -53.31 57.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.3 tp -61.66 -49.49 76.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -54.64 -52.4 62.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -62.86 -52.22 63.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.547 ' CE1' HD23 ' A' ' 53' ' ' LEU . 29.6 t80 -47.59 -66.3 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.931 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -45.37 -46.08 12.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -54.77 -39.5 68.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.9 mt -60.5 -51.08 70.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.547 HD23 ' CE1' ' A' ' 49' ' ' TYR . 3.7 mm? -46.12 -52.0 12.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -65.6 -46.26 80.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.808 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -53.29 -43.64 67.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 179.889 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -53.9 -36.17 62.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 20' ' ' LEU . 51.5 mt-10 -70.98 -66.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 17' ' ' GLU . 12.4 mm-40 -37.72 -55.35 1.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.464 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 2.0 ptmt -60.23 -36.21 77.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.949 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.464 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 25.9 tp -60.77 -53.04 62.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.52 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -55.75 -35.02 65.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.606 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 72.1 t60 -69.74 -63.86 0.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.4 mt -54.48 -54.99 33.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.15 -45.06 8.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.55 -38.92 70.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.606 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 12.5 mt -60.41 -54.3 47.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.449 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 24.1 mtm -135.03 83.25 40.36 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.625 0.726 . . . . 0.0 110.857 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -8.95 24.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.713 2.276 . . . . 0.0 112.341 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.5 p -118.38 20.14 13.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.449 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 87.6 mm-40 -131.0 39.91 3.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -52.89 -37.76 60.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -59.37 -18.63 40.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.442 ' CG2' HD12 ' A' ' 37' ' ' ILE . 58.4 m -97.6 -33.88 11.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.416 ' CG2' HD13 ' A' ' 38' ' ' ILE . 99.2 mt -75.49 -27.93 19.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.497 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -56.24 -58.86 14.03 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.548 0.69 . . . . 0.0 111.056 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 54.2 Cg_endo -69.68 -11.67 31.44 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.442 HD12 ' CG2' ' A' ' 33' ' ' THR . 89.2 mt -91.85 -17.88 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.416 HD13 ' CG2' ' A' ' 34' ' ' ILE . 21.2 mt -110.72 -32.09 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.1 -27.49 6.71 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.45 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.71 174.94 7.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.364 . . . . 0.0 110.875 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 37.1 p -86.8 155.76 20.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.429 ' N ' ' HB3' ' A' ' 35' ' ' ALA . . . -46.25 -52.55 12.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.077 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.89 -41.6 58.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -64.01 -60.57 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.5 m -44.66 -47.43 10.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 53.6 tp -64.24 -53.67 45.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -53.25 -61.0 2.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -56.27 -53.47 56.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.551 ' CE1' HD22 ' A' ' 53' ' ' LEU . 30.4 t80 -45.45 -69.02 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -44.91 -45.52 10.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.554 ' CE2' ' HD3' ' A' ' 55' ' ' LYS . 11.6 t80 -56.07 -33.13 64.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.404 ' CD1' HD23 ' A' ' 21' ' ' LEU . 26.1 mt -67.33 -40.57 85.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.551 HD22 ' CE1' ' A' ' 49' ' ' TYR . 3.3 mm? -59.45 -50.3 74.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -70.15 -39.29 75.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.554 ' HD3' ' CE2' ' A' ' 51' ' ' PHE . 36.5 ttpt -54.66 -48.75 71.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.108 179.834 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.78 0.324 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -48.5 -35.9 14.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 20' ' ' LEU . 39.0 mt-10 -70.32 -65.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -38.61 -55.55 1.42 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.473 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 8.4 ptmt -59.46 -34.88 73.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.473 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 34.9 tp -63.02 -55.14 28.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.966 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.513 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -52.82 -35.28 56.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.541 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 74.7 t60 -69.72 -61.63 1.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.438 HD11 ' CD1' ' A' ' 38' ' ' ILE . 3.9 mt -53.02 -59.95 3.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 23' ' ' LEU . . . -35.79 -48.18 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.2 ttmt -66.81 -49.58 65.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.541 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 9.1 mt -50.72 -55.11 18.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.448 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 24.7 mtm -135.0 84.23 37.86 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.603 0.716 . . . . 0.0 110.905 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -11.54 31.08 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.673 2.249 . . . . 0.0 112.319 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.495 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 38.9 p -118.56 27.22 9.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.108 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 29' ' ' THR . 87.1 mm-40 -134.72 36.13 3.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 76.7 m95 -51.87 -41.75 62.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -61.69 -17.73 56.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.6 m -97.58 -33.68 11.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.148 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.411 HG23 ' CD1' ' A' ' 23' ' ' LEU . 89.4 mt -76.74 -28.99 17.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.51 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -47.85 -58.27 8.15 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 0.0 111.116 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 53.4 Cg_endo -69.77 -11.14 30.22 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.357 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 90.7 mt -91.67 -17.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.438 ' CD1' HD11 ' A' ' 23' ' ' LEU . 18.3 mt -110.56 -34.05 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.68 -27.64 6.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.521 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.6 176.8 6.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.912 0.387 . . . . 0.0 110.867 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.3 p -85.49 153.42 22.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.458 ' N ' ' HB3' ' A' ' 35' ' ' ALA . . . -46.65 -47.33 20.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.124 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.16 -52.31 65.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.068 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -59.47 -42.77 92.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 70.8 m -61.7 -51.47 68.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.4 tp -62.7 -47.95 81.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -60.12 -51.22 70.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -61.95 -51.02 69.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.559 ' CE1' HD23 ' A' ' 53' ' ' LEU . 28.1 t80 -47.08 -69.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -46.1 -45.45 16.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.498 ' CE2' ' HD3' ' A' ' 55' ' ' LYS . 32.7 t80 -54.28 -40.28 67.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.433 ' CD1' HD22 ' A' ' 21' ' ' LEU . 90.6 mt -60.37 -47.69 84.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.559 HD23 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -49.42 -53.68 21.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.94 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -67.88 -46.26 72.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.498 ' HD3' ' CE2' ' A' ' 51' ' ' PHE . 38.9 ttpt -49.85 -42.8 48.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.797 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.815 0.34 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.405 ' HG3' ' NH1' ' A' ' 40' ' ' ARG . 1.3 mm-40 -45.63 -35.95 4.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.939 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 20' ' ' LEU . 48.2 mt-10 -65.39 -63.91 0.99 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' GLU . 15.2 mt-10 -36.16 -57.01 0.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.467 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 7.1 ptmt -63.31 -33.08 74.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 17' ' ' GLU . 34.5 tp -61.3 -53.72 53.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.507 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -53.58 -37.65 63.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.606 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 76.2 t60 -68.89 -59.73 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 mt -56.35 -56.32 22.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -42.68 -46.09 4.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.068 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.77 -42.95 73.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.606 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 11.4 mt -55.05 -54.54 41.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.447 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 26.5 mtm -135.0 84.33 37.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.554 0.693 . . . . 0.0 110.874 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -8.87 24.69 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.324 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.475 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 38.5 p -121.38 27.01 8.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' A' ' 29' ' ' THR . 86.4 mm-40 -134.87 38.34 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.561 ' CZ2' HD12 ' A' ' 46' ' ' LEU . 75.1 m95 -54.44 -32.72 58.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -64.85 -20.6 66.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 62.1 m -97.73 -38.84 9.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.6 mt -72.42 -29.41 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.496 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -53.44 -58.66 11.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.597 0.713 . . . . 0.0 111.099 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 53.4 Cg_endo -69.75 -12.9 33.85 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.689 2.259 . . . . 0.0 112.314 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 84.4 mt -88.49 -16.31 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.7 mt -111.73 -39.39 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 130.3 -29.75 3.6 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.41 ' CG ' ' OE1' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -88.64 -175.93 5.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.376 . . . . 0.0 110.859 -179.858 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.6 p -97.64 153.41 18.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.457 ' N ' ' HB2' ' A' ' 35' ' ' ALA . . . -39.49 -57.7 1.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.056 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.17 -45.19 53.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.056 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.41 ' OE1' ' CG ' ' A' ' 40' ' ' ARG . 88.8 mt-30 -62.36 -49.41 75.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 92.2 m -56.16 -54.01 50.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.813 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.561 HD12 ' CZ2' ' A' ' 31' ' ' TRP . 28.8 tp -61.23 -55.81 27.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -51.35 -58.41 6.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -55.74 -54.05 49.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.561 ' CE1' HD21 ' A' ' 53' ' ' LEU . 33.4 t80 -46.63 -71.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -43.52 -46.06 6.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -54.96 -42.06 71.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.42 ' CD1' HD21 ' A' ' 21' ' ' LEU . 96.0 mt -57.94 -48.67 79.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.561 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.7 mm? -49.56 -53.28 24.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -64.92 -47.84 76.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -47.99 -43.4 29.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.053 179.876 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.846 0.355 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -47.45 -37.84 12.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 20' ' ' LEU . 62.0 mt-10 -68.94 -64.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 17' ' ' GLU . 7.8 mm-40 -36.32 -56.03 0.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 8.1 ptmt -61.17 -34.78 75.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 17' ' ' GLU . 38.3 tp -62.07 -51.13 69.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.525 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -57.86 -34.2 69.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.862 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.551 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 79.2 t60 -68.28 -58.95 3.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 26' ' ' LEU . 3.8 mt -55.88 -61.93 2.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 23' ' ' LEU . . . -35.08 -49.02 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -40.34 87.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.551 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 9.9 mt -61.84 -53.94 48.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.449 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 31.0 mtm -135.0 85.82 33.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 110.897 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -12.52 32.89 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.254 . . . . 0.0 112.293 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 64.9 p -118.98 30.04 7.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.449 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 93.1 mm-40 -135.01 35.67 3.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -51.32 -40.37 58.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.87 -21.21 56.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.416 ' C ' ' HD2' ' A' ' 36' ' ' PRO . 90.9 m -97.18 -37.16 10.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 94.2 mt -68.21 -30.2 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.487 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -52.74 -59.28 9.16 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.634 0.73 . . . . 0.0 111.103 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 54.0 Cg_endo -69.71 -10.86 29.65 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.722 2.281 . . . . 0.0 112.358 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 95.3 mt -91.42 -17.77 7.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.3 mt -111.33 -37.51 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.05 -29.33 4.39 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -89.51 176.08 7.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 110.879 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.415 ' HG1' ' NE2' ' A' ' 44' ' ' GLN . 71.1 p -83.62 159.03 21.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.449 ' N ' ' HB3' ' A' ' 35' ' ' ALA . . . -51.63 -39.8 58.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.81 -40.95 68.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.415 ' NE2' ' HG1' ' A' ' 41' ' ' THR . 33.9 mt-30 -64.1 -48.35 76.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 85.1 m -59.64 -49.63 77.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.9 tp -63.2 -42.41 99.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -60.87 -55.66 30.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -60.04 -50.66 72.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.539 ' CE1' HD23 ' A' ' 53' ' ' LEU . 34.2 t80 -47.92 -69.0 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -41.42 -44.36 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -60.18 -36.57 77.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 49' ' ' TYR . 47.4 mt -61.25 -43.68 98.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.539 HD23 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -54.59 -52.36 62.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -68.57 -42.33 78.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -54.7 -43.2 72.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.063 179.871 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.787 0.327 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -49.11 -34.77 14.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 20' ' ' LEU . 56.9 mt-10 -69.44 -63.95 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 17' ' ' GLU . 5.8 mm-40 -38.44 -57.44 1.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.464 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 1.6 ptmt -58.48 -36.0 73.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.464 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 27.4 tp -61.25 -56.62 18.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.507 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -51.06 -37.36 45.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.604 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 72.8 t60 -67.6 -62.61 1.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mt -53.99 -57.95 9.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -39.18 -45.27 1.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -70.68 -42.47 70.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.604 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 10.1 mt -58.77 -56.12 26.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.445 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 15.9 mtm -135.01 86.97 30.73 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.547 0.689 . . . . 0.0 110.896 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.472 ' O ' ' NE1' ' A' ' 31' ' ' TRP . 53.5 Cg_endo -69.75 -37.66 8.9 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.8 p -92.42 24.28 3.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.445 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 97.5 mm-40 -131.73 39.49 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.472 ' NE1' ' O ' ' A' ' 28' ' ' PRO . 77.8 m95 -54.65 -38.35 66.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -58.84 -18.78 35.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.45 ' CG2' HD13 ' A' ' 37' ' ' ILE . 49.9 m -97.35 -35.46 10.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 85.4 mt -74.7 -20.94 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.141 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.5 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -63.06 -58.64 15.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.539 0.685 . . . . 0.0 111.079 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 54.1 Cg_endo -69.75 -11.94 31.89 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.45 HD13 ' CG2' ' A' ' 33' ' ' THR . 95.3 mt -90.68 -20.64 6.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.8 mt -107.01 -36.62 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.51 -25.37 6.6 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -91.2 176.77 6.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 110.882 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 80.9 p -88.27 146.56 25.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.434 ' N ' ' HB2' ' A' ' 35' ' ' ALA . . . -38.22 -52.05 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.52 -44.64 85.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -62.62 -46.47 88.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 94.9 m -60.68 -52.82 63.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.415 HD11 ' CZ2' ' A' ' 31' ' ' TRP . 21.8 tp -62.16 -48.67 79.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -56.71 -54.27 48.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -60.16 -50.11 74.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.551 ' CE1' HD21 ' A' ' 53' ' ' LEU . 35.1 t80 -48.5 -70.71 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -42.18 -44.88 3.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -57.17 -40.14 76.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.8 mt -59.23 -44.59 92.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.551 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -52.73 -52.42 56.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -67.16 -45.4 77.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -51.71 -37.52 51.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.815 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.833 0.349 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -45.33 -38.48 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 20' ' ' LEU . 47.0 mt-10 -70.3 -64.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -39.3 -55.1 1.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 5.5 ptmt -60.49 -34.4 74.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.462 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 29.5 tp -62.9 -55.15 28.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.515 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -53.03 -38.09 62.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.558 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 76.7 t60 -66.53 -58.54 4.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 26' ' ' LEU . 3.4 mt -54.63 -63.03 1.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 23' ' ' LEU . . . -34.91 -48.71 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -65.76 -43.04 90.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.558 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 9.6 mt -58.38 -53.4 58.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.451 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 25.9 mtm -134.98 82.76 42.01 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.565 0.698 . . . . 0.0 110.897 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -0.98 7.73 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.351 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.473 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 29.5 p -130.07 26.48 5.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.473 ' NE2' ' O ' ' A' ' 29' ' ' THR . 79.8 mm-40 -133.54 37.49 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 76.7 m95 -51.88 -41.49 61.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -59.29 -18.65 39.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.414 ' C ' ' HD2' ' A' ' 36' ' ' PRO . 25.0 m -97.6 -38.06 9.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 66.8 mt -70.53 -28.14 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.509 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -53.77 -58.25 14.0 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 111.143 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 53.4 Cg_endo -69.77 -11.14 30.22 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.687 2.258 . . . . 0.0 112.322 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 94.0 mt -91.72 -17.58 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.4 mt -110.92 -33.5 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.74 -30.06 5.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.93 178.69 6.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 65.7 p -90.53 154.9 19.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.459 ' N ' ' HB3' ' A' ' 35' ' ' ALA . . . -44.42 -42.21 6.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.06 -55.03 29.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.073 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -55.45 -42.1 73.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 92.2 m -63.43 -50.73 68.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.5 tp -61.95 -56.36 19.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -50.11 -53.25 28.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -60.32 -55.32 35.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.516 ' CZ ' HD22 ' A' ' 53' ' ' LEU . 37.2 t80 -46.36 -66.49 0.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -43.55 -46.72 7.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -56.66 -37.28 70.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.462 ' CD1' HD21 ' A' ' 21' ' ' LEU . 18.1 mt -61.12 -43.8 98.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.516 HD22 ' CZ ' ' A' ' 49' ' ' TYR . 3.4 mm? -54.5 -53.19 57.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -65.63 -40.12 92.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.2 tttm -59.58 -45.91 90.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.867 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.786 0.327 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -47.13 -37.49 9.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 20' ' ' LEU . 48.3 mt-10 -68.52 -65.33 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -38.98 -57.59 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.469 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -57.69 -35.62 70.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.469 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 27.5 tp -61.64 -54.5 41.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.511 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -54.19 -34.92 61.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.568 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 76.6 t60 -71.03 -65.54 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mt -54.52 -53.11 58.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.86 -48.56 11.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.36 -39.83 77.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.568 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 15.7 mt -57.03 -52.76 63.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.451 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 33.3 mtm -135.03 86.35 32.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.605 0.717 . . . . 0.0 110.869 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -9.56 26.41 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.356 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.3 p -121.61 28.89 7.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.451 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 94.6 mm-40 -134.96 35.56 3.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.555 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 76.0 m95 -52.18 -36.91 53.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -64.42 -20.92 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.6 m -97.45 -35.61 10.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.3 mt -72.56 -30.59 34.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.499 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -52.12 -58.5 11.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.564 0.697 . . . . 0.0 111.086 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 53.9 Cg_endo -69.75 -7.48 21.15 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.668 2.246 . . . . 0.0 112.342 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 92.4 mt -95.47 -20.58 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 28.2 mt -107.12 -37.23 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.166 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.82 28.53 3.64 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.522 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 40.3 mtp85 -143.31 -178.67 5.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.926 0.393 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 44' ' ' GLN . 23.5 p -90.54 131.85 36.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.119 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 41' ' ' THR . . . -33.88 -43.8 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.8 84.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.079 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 41' ' ' THR . 10.6 mt-30 -59.85 -52.56 64.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 88.3 m -54.62 -50.51 67.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.555 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 23.8 tp -61.44 -55.06 35.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -53.72 -60.82 2.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -53.92 -52.06 61.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.566 ' CE1' HD23 ' A' ' 53' ' ' LEU . 28.6 t80 -43.69 -72.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -43.22 -48.29 6.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.562 ' CE2' ' HD3' ' A' ' 55' ' ' LYS . 47.6 t80 -52.86 -38.24 61.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.44 -42.46 99.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.566 HD23 ' CE1' ' A' ' 49' ' ' TYR . 3.7 mm? -56.19 -51.47 67.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -70.33 -39.36 74.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.808 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.562 ' HD3' ' CE2' ' A' ' 51' ' ' PHE . 19.4 ttpp -53.85 -43.94 69.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 179.879 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.841 0.353 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -48.88 -39.85 27.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 20' ' ' LEU . 52.0 mt-10 -68.32 -65.27 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 17' ' ' GLU . 5.3 mm-40 -37.8 -56.5 1.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -60.14 -34.06 73.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.461 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 33.9 tp -62.86 -53.55 52.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.514 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -54.97 -36.12 65.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.521 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 80.1 t60 -68.58 -59.25 3.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.43 HD11 ' CD1' ' A' ' 38' ' ' ILE . 4.3 mt -56.65 -59.65 4.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -37.85 -47.6 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -68.16 -41.05 82.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.521 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 9.8 mt -60.3 -54.0 50.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.442 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 31.5 mtm -135.03 85.31 34.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.586 0.707 . . . . 0.0 110.882 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -10.12 27.74 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.305 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.427 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 40.7 p -120.86 29.16 7.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.154 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.442 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 86.9 mm-40 -134.8 38.24 3.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.499 ' CZ2' HD11 ' A' ' 46' ' ' LEU . 73.3 m95 -53.73 -37.42 63.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 ttm-85 -62.44 -21.11 65.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 74.6 m -97.66 -36.7 10.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.462 ' CG2' HD13 ' A' ' 38' ' ' ILE . 82.7 mt -72.76 -26.6 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.49 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -54.33 -59.3 10.54 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.575 0.702 . . . . 0.0 111.103 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 54.1 Cg_endo -69.71 -14.39 36.18 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.721 2.281 . . . . 0.0 112.381 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 90.2 mt -89.11 -15.11 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.462 HD13 ' CG2' ' A' ' 34' ' ' ILE . 17.2 mt -112.64 -35.01 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.28 -32.01 3.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.38 179.59 5.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.897 0.379 . . . . 0.0 110.864 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.7 p -84.09 168.23 16.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.186 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.465 ' N ' ' HB1' ' A' ' 35' ' ' ALA . . . -59.61 -44.43 93.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.9 -40.64 91.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -63.48 -53.87 45.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 83.9 m -52.79 -42.42 65.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.499 HD11 ' CZ2' ' A' ' 31' ' ' TRP . 20.9 tp -70.6 -45.53 65.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -58.3 -55.51 34.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -59.67 -54.92 40.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.556 ' CE1' HD22 ' A' ' 53' ' ' LEU . 31.5 t80 -43.68 -67.89 0.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -44.14 -48.65 9.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -54.04 -36.43 63.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.439 ' CD1' HD22 ' A' ' 21' ' ' LEU . 25.9 mt -62.82 -44.99 94.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.556 HD22 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -53.36 -52.82 58.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -70.6 -39.08 74.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.8 tttt -56.76 -45.69 81.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.831 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 16' ' ' GLU . 7.1 mt-10 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.827 0.346 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 15' ' ' GLU . 2.6 mp0 -34.41 -40.29 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 20' ' ' LEU . 54.5 mt-10 -66.18 -61.2 2.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 17' ' ' GLU . 51.0 mt-10 -37.96 -58.95 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 1.8 ptmt -57.59 -32.95 67.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' GLU . 15.8 tp -65.29 -55.54 17.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.916 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.509 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -53.19 -32.87 50.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.563 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 79.2 t60 -72.43 -57.91 3.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.444 ' CD1' HG23 ' A' ' 34' ' ' ILE . 4.9 mt -57.64 -55.44 34.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . . . -42.39 -48.28 5.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -67.77 -43.18 80.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.563 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 10.3 mt -55.92 -53.76 52.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.45 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 30.4 mtm -134.31 83.99 42.6 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.561 0.696 . . . . 0.0 110.887 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.07 3.85 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.63 2.22 . . . . 0.0 112.344 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.5 p -135.02 28.45 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.45 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 96.7 mm-40 -134.68 38.02 3.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.52 ' CZ2' HD12 ' A' ' 46' ' ' LEU . 78.2 m95 -52.6 -35.6 54.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -60.98 -21.42 63.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.409 ' C ' ' HD2' ' A' ' 36' ' ' PRO . 92.8 m -97.75 -37.9 9.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.444 HG23 ' CD1' ' A' ' 23' ' ' LEU . 44.5 mt -70.57 -25.83 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.507 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -58.78 -58.3 20.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.594 0.711 . . . . 0.0 111.121 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 53.3 Cg_endo -69.8 -14.95 36.69 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.289 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 87.8 mt -86.45 -23.85 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.9 mt -103.34 -37.9 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.127 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.76 -34.15 2.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.492 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -92.19 177.75 6.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.368 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.452 HG22 ' NE2' ' A' ' 44' ' ' GLN . 23.8 p -82.58 170.97 14.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.447 ' N ' ' HB1' ' A' ' 35' ' ' ALA . . . -55.53 -50.28 70.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.36 -69.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.452 ' NE2' HG22 ' A' ' 41' ' ' THR . 2.0 mp0 -37.56 -47.6 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 91.5 m -61.11 -58.66 7.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.52 HD12 ' CZ2' ' A' ' 31' ' ' TRP . 19.2 tp -52.52 -55.45 22.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -42.95 -60.91 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -56.65 -54.09 50.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.543 ' CE1' HD21 ' A' ' 53' ' ' LEU . 31.3 t80 -44.06 -68.97 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -44.17 -49.08 9.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -52.6 -41.24 63.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.9 mt -58.52 -49.01 78.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.543 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -47.78 -54.37 12.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -65.47 -46.46 79.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -51.0 -45.54 61.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.849 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.797 0.332 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -50.46 -37.8 40.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' LEU . 34.5 mt-10 -70.36 -61.89 1.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 17' ' ' GLU . 4.7 mm-40 -37.61 -56.43 1.04 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -59.06 -35.96 74.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.466 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 30.9 tp -62.39 -54.94 33.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.94 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.515 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -53.29 -38.58 63.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.474 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 80.9 t60 -64.87 -57.32 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 26' ' ' LEU . 3.7 mt -57.09 -64.45 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 23' ' ' LEU . . . -34.29 -47.6 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -66.75 -42.35 86.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 23' ' ' LEU . 9.5 mt -59.4 -54.04 51.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.958 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.454 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 27.1 mtm -135.0 84.53 37.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.578 0.704 . . . . 0.0 110.88 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.41 23.52 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.7 2.267 . . . . 0.0 112.354 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 63.7 p -121.75 26.65 8.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.454 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 94.0 mm-40 -134.33 36.22 3.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -52.18 -40.08 60.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -59.67 -18.53 42.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.824 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 62.5 m -97.38 -35.3 10.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.5 mt -71.75 -33.35 48.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.532 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -50.06 -57.45 12.6 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.569 0.7 . . . . 0.0 111.083 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 54.0 Cg_endo -69.78 -11.71 31.38 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.656 2.237 . . . . 0.0 112.365 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 95.9 mt -90.95 -17.94 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.8 mt -110.23 -34.91 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 125.33 -31.77 4.13 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.3 mtt85 -91.94 172.28 8.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.923 0.392 . . . . 0.0 110.846 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 50.4 p -79.84 162.23 25.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.453 ' N ' ' HB2' ' A' ' 35' ' ' ALA . . . -55.48 -39.74 70.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.072 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.21 -49.99 72.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -61.16 -46.66 89.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.4 m -62.46 -53.51 53.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.9 tp -59.46 -50.03 75.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -53.91 -54.25 41.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -59.52 -53.7 55.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.553 ' CE1' HD23 ' A' ' 53' ' ' LEU . 31.7 t80 -43.44 -67.74 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.959 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -44.96 -49.19 11.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -52.46 -37.7 57.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.445 ' CD1' HD22 ' A' ' 21' ' ' LEU . 47.2 mt -61.79 -43.95 97.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.553 HD23 ' CE1' ' A' ' 49' ' ' TYR . 3.5 mm? -54.77 -52.16 63.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -65.78 -43.68 88.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -53.34 -48.92 68.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.804 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.865 0.364 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -45.31 -40.11 7.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 20' ' ' LEU . 37.6 mt-10 -68.51 -66.45 0.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 17' ' ' GLU . 31.2 mm-40 -36.84 -55.58 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.892 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.465 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -61.52 -35.13 76.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 17' ' ' GLU . 40.5 tp -61.48 -52.48 64.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -55.75 -36.92 67.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.501 ' CD2' HD11 ' A' ' 26' ' ' LEU . 81.3 t60 -65.67 -56.34 12.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.437 HD11 ' CD1' ' A' ' 38' ' ' ILE . 5.2 mt -62.62 -60.34 3.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -38.07 -44.93 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.62 -42.92 67.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.501 HD11 ' CD2' ' A' ' 22' ' ' HIS . 9.3 mt -57.97 -54.03 51.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.452 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 30.5 mtm -134.74 86.84 32.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.545 0.688 . . . . 0.0 110.848 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -16.6 37.78 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.645 2.23 . . . . 0.0 112.391 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.428 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 69.3 p -113.58 28.32 8.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.452 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 94.9 mm-40 -135.06 39.96 2.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.553 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 76.2 m95 -54.95 -37.33 66.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -60.04 -21.37 61.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.418 ' C ' ' HD2' ' A' ' 36' ' ' PRO . 85.8 m -97.74 -37.32 9.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.454 ' CG2' HD12 ' A' ' 38' ' ' ILE . 43.6 mt -69.48 -24.26 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.503 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -61.42 -58.83 16.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.558 0.694 . . . . 0.0 111.059 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 53.8 Cg_endo -69.72 -13.69 35.14 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.385 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.412 HD13 ' CG2' ' A' ' 33' ' ' THR . 96.1 mt -89.65 -23.7 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.454 HD12 ' CG2' ' A' ' 34' ' ' ILE . 18.0 mt -103.69 -35.06 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.87 -30.58 4.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.5 179.74 5.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 110.903 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 82.1 p -88.06 156.84 19.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.469 ' N ' ' HB3' ' A' ' 35' ' ' ALA . . . -49.04 -43.3 40.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.059 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.05 -44.24 89.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -62.35 -45.24 94.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 95.3 m -62.91 -51.38 67.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.553 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 16.6 tp -61.97 -50.74 70.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -53.96 -54.12 43.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -61.48 -55.21 33.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.527 ' CE1' HD22 ' A' ' 53' ' ' LEU . 36.8 t80 -44.47 -67.01 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -44.44 -47.24 9.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -56.06 -36.93 68.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.4 ' CD1' HD23 ' A' ' 21' ' ' LEU . 20.7 mt -61.58 -49.51 76.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.527 HD22 ' CE1' ' A' ' 49' ' ' TYR . 3.7 mm? -48.26 -51.72 24.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -66.46 -45.46 79.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -52.86 -43.64 66.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.07 179.872 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.789 0.328 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -54.07 -34.89 61.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 20' ' ' LEU . 54.1 mt-10 -66.05 -61.46 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 17' ' ' GLU . 20.8 mt-10 -35.35 -57.72 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.469 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 6.7 ptmt -61.8 -34.36 75.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 17' ' ' GLU . 35.4 tp -61.02 -52.28 65.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.516 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -55.78 -34.91 65.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.58 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 74.2 t60 -70.72 -62.54 1.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mt -53.79 -53.42 52.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.11 -47.69 8.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.072 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -68.38 -40.89 81.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.58 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 11.9 mt -58.47 -53.42 58.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.932 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.453 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 32.3 mtm -135.01 85.02 35.58 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.623 0.725 . . . . 0.0 110.842 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -6.22 18.09 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 55.6 p -125.34 27.56 6.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.453 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 96.9 mm-40 -134.97 38.15 3.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.505 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 77.9 m95 -52.0 -39.35 59.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -57.92 -20.05 34.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.402 ' C ' ' HD2' ' A' ' 36' ' ' PRO . 91.4 m -97.54 -35.59 10.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.5 mt -73.38 -21.09 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.519 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -61.03 -57.5 25.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.572 0.701 . . . . 0.0 111.142 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 53.2 Cg_endo -69.82 -13.28 34.31 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.653 2.235 . . . . 0.0 112.28 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.9 mt -87.65 -24.64 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.113 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.4 mt -103.51 -39.58 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 129.92 -30.33 3.56 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.507 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.71 -176.9 4.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 110.889 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.8 p -90.85 158.23 16.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.474 ' N ' ' HB1' ' A' ' 35' ' ' ALA . . . -48.06 -53.1 17.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.91 -45.5 71.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -61.81 -52.22 65.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.1 m -52.36 -46.32 66.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.505 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 28.8 tp -64.38 -51.34 63.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -55.14 -53.79 51.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -60.87 -53.14 60.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.495 ' CE1' HD22 ' A' ' 53' ' ' LEU . 31.8 t80 -46.89 -68.88 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -44.95 -48.57 11.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -50.6 -40.25 52.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.45 ' CD1' HD23 ' A' ' 21' ' ' LEU . 96.5 mt -60.7 -44.56 96.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.495 HD22 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -53.76 -51.39 63.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -68.93 -41.51 78.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -57.61 -33.9 68.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.81 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.795 0.331 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -41.77 -41.47 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 20' ' ' LEU . 68.3 mt-10 -63.32 -63.34 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' GLU . 13.2 mt-10 -36.49 -59.87 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.47 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 6.2 ptmt -59.34 -32.92 70.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 17' ' ' GLU . 24.6 tp -62.7 -53.18 58.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.509 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -54.92 -34.07 62.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.468 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 77.3 t60 -71.47 -62.84 1.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.467 ' CD1' HG23 ' A' ' 37' ' ' ILE . 3.3 mt -56.35 -53.36 58.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.22 -47.93 12.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.39 -42.66 82.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.468 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 11.9 mt -55.92 -53.23 59.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.453 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 29.9 mtm -135.01 82.92 41.38 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.58 0.705 . . . . 0.0 110.905 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -2.07 9.51 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.419 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 49.9 p -127.18 23.38 6.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.453 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 78.7 mm-40 -130.26 36.88 3.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.496 ' CZ2' ' CD1' ' A' ' 46' ' ' LEU . 79.8 m95 -51.65 -38.15 53.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -63.94 -21.41 66.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.6 m -97.63 -35.12 10.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 94.6 mt -76.44 -25.01 16.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.527 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -52.84 -57.12 17.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.569 0.699 . . . . 0.0 111.056 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 54.0 Cg_endo -69.76 -8.56 23.91 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.691 2.26 . . . . 0.0 112.326 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.467 HG23 ' CD1' ' A' ' 23' ' ' LEU . 93.0 mt -92.76 -19.54 6.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.5 mt -110.39 -37.88 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.22 -26.42 5.82 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.21 174.43 7.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.4 p -83.06 148.6 27.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.466 ' HB1' ' CB ' ' A' ' 31' ' ' TRP . . . -41.6 -52.37 3.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.064 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.94 -42.65 90.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.103 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -62.63 -47.04 85.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.4 m -61.16 -44.79 96.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.496 ' CD1' ' CZ2' ' A' ' 31' ' ' TRP . 25.4 tp -67.28 -46.16 74.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.35 -50.88 69.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -65.33 -50.59 65.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.513 ' CE1' HD21 ' A' ' 53' ' ' LEU . 29.6 t80 -49.27 -67.21 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -45.26 -45.77 12.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -54.57 -39.74 68.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.404 ' CD1' HD23 ' A' ' 21' ' ' LEU . 78.9 mt -59.28 -45.43 91.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.513 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.2 mm? -52.75 -52.71 55.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -68.03 -41.73 81.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -52.59 -44.89 66.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.074 179.848 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.42 ' HG2' ' NH1' ' A' ' 40' ' ' ARG . 1.7 mp0 -49.22 -38.61 26.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 20' ' ' LEU . 53.3 mt-10 -68.81 -65.1 0.75 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' GLU . 5.0 mm-40 -36.58 -56.31 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -61.96 -36.82 82.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.468 HD21 ' CA ' ' A' ' 49' ' ' TYR . 41.6 tp -57.93 -53.18 61.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.511 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -54.3 -37.72 65.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.873 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.649 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 75.4 t60 -71.72 -60.69 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.45 HD12 ' CD1' ' A' ' 38' ' ' ILE . 4.0 mt -49.05 -52.41 25.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.48 -45.27 9.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -68.94 -42.59 76.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.649 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 8.9 mt -58.31 -55.36 35.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.448 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 26.9 mtm -134.98 85.51 34.56 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.515 0.674 . . . . 0.0 110.878 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -16.67 37.45 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.4 p -115.27 29.4 8.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.448 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 96.9 mm-40 -134.78 37.87 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -52.37 -37.67 56.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -60.4 -20.66 60.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.4 m -97.77 -39.0 9.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.44 ' CG2' HD13 ' A' ' 38' ' ' ILE . 74.5 mt -71.91 -21.56 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.139 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.509 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -62.22 -58.61 16.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.583 0.706 . . . . 0.0 111.154 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 53.8 Cg_endo -69.76 -16.67 37.67 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.736 2.291 . . . . 0.0 112.312 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.5 mt -85.57 -22.97 7.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.45 ' CD1' HD12 ' A' ' 23' ' ' LEU . 12.9 mt -102.35 -36.35 4.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.58 -29.41 4.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.42 ' NH1' ' HG2' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -92.82 173.14 7.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.926 0.393 . . . . 0.0 110.869 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 57.6 p -81.81 160.51 23.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.462 ' N ' ' HB3' ' A' ' 35' ' ' ALA . . . -48.03 -50.98 25.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.125 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.14 -40.46 93.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -63.8 -42.64 97.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 90.7 m -66.34 -47.3 73.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 18.6 tp -65.67 -47.79 74.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -61.87 -52.02 65.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -62.1 -49.9 74.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.564 ' CE1' HD22 ' A' ' 53' ' ' LEU . 22.3 t80 -45.47 -69.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -44.61 -50.55 9.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 51' ' ' PHE . 3.0 t80 -48.26 -41.55 28.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.72 -46.78 88.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.564 HD22 ' CE1' ' A' ' 49' ' ' TYR . 3.5 mm? -51.9 -55.54 19.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -60.5 -43.04 97.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -56.25 -42.04 76.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.067 179.855 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.815 0.341 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -51.81 -38.19 54.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 20' ' ' LEU . 63.2 mt-10 -70.73 -63.76 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -39.31 -55.32 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.467 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 8.4 ptmt -59.32 -35.08 73.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.467 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 35.0 tp -63.18 -55.0 28.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.514 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -53.39 -35.0 59.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.595 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 74.5 t60 -70.55 -61.94 1.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mt -52.85 -52.14 58.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.86 -46.63 15.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.56 -40.94 80.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.595 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 10.1 mt -58.59 -53.47 57.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.448 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 33.3 mtm -135.02 83.09 40.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.597 0.713 . . . . 0.0 110.879 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 1.98 3.95 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.66 2.24 . . . . 0.0 112.309 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 78.5 p -131.34 22.1 4.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.148 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.448 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 87.8 mm-40 -130.0 37.81 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -51.39 -41.61 60.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -58.24 -20.66 43.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.412 ' C ' ' HD2' ' A' ' 36' ' ' PRO . 64.4 m -97.53 -36.23 10.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.413 ' CG2' HD13 ' A' ' 38' ' ' ILE . 96.9 mt -69.94 -20.91 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.157 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.485 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -61.65 -59.22 14.05 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.584 0.706 . . . . 0.0 111.084 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 53.2 Cg_endo -69.79 -13.93 35.28 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.671 2.247 . . . . 0.0 112.338 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 92.7 mt -88.7 -17.48 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.413 HD13 ' CG2' ' A' ' 34' ' ' ILE . 17.1 mt -109.53 -36.39 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.87 -27.51 5.4 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.503 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.77 178.3 5.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.896 0.379 . . . . 0.0 110.86 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.7 p -84.21 160.03 20.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.44 ' N ' ' HB1' ' A' ' 35' ' ' ALA . . . -50.66 -52.57 38.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.062 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.11 -35.19 69.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.087 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -64.58 -53.29 50.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 93.7 m -55.2 -49.75 71.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 42.5 tp -63.35 -47.9 80.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -57.59 -58.5 8.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -59.3 -53.72 55.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.495 ' CE1' HD21 ' A' ' 53' ' ' LEU . 36.9 t80 -45.5 -67.44 0.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -44.03 -46.52 8.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -56.97 -36.21 70.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.432 ' CD1' HD22 ' A' ' 21' ' ' LEU . 23.5 mt -62.77 -46.34 88.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.495 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -51.95 -56.45 14.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -64.81 -42.22 95.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -53.41 -52.12 60.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.06 179.834 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.77 0.319 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -55.62 -31.83 62.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 20' ' ' LEU . 53.6 mt-10 -68.63 -66.18 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' GLU . 6.6 mm-40 -35.89 -56.22 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -62.85 -36.33 82.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 17' ' ' GLU . 42.1 tp -58.13 -53.62 56.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.515 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -53.52 -39.05 64.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.871 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.606 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 65.3 t60 -66.68 -61.58 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mt -53.51 -60.39 3.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -36.73 -47.8 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -66.94 -49.69 64.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.606 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 9.6 mt -50.51 -55.65 15.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.448 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 26.0 mtm -135.04 87.18 30.01 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.601 0.715 . . . . 0.0 110.857 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.416 ' O ' ' NE1' ' A' ' 31' ' ' TRP . 53.5 Cg_endo -69.85 -28.62 24.59 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.309 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.8 p -101.55 27.56 6.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.448 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 94.0 mm-40 -133.37 37.77 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.432 ' CZ2' HD11 ' A' ' 46' ' ' LEU . 78.9 m95 -53.67 -34.31 58.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -63.3 -19.7 64.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.461 HG21 ' CD1' ' A' ' 37' ' ' ILE . 78.8 m -97.59 -38.16 9.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.147 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.445 ' CG2' HD13 ' A' ' 38' ' ' ILE . 82.0 mt -72.24 -24.67 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.488 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -61.32 -59.09 14.69 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.559 0.695 . . . . 0.0 111.116 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 53.3 Cg_endo -69.78 -13.9 35.27 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.75 2.3 . . . . 0.0 112.309 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.461 ' CD1' HG21 ' A' ' 33' ' ' THR . 82.2 mt -88.9 -16.65 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.445 HD13 ' CG2' ' A' ' 34' ' ' ILE . 19.1 mt -110.67 -37.9 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.63 -27.91 4.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.517 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.68 178.62 6.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 110.848 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 47.8 p -90.26 151.33 21.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.46 ' N ' ' HB2' ' A' ' 35' ' ' ALA . . . -42.36 -50.86 5.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.32 -43.54 98.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -60.96 -44.59 97.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 90.3 m -62.81 -52.38 63.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.432 HD11 ' CZ2' ' A' ' 31' ' ' TRP . 20.5 tp -62.03 -41.36 98.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -61.67 -55.56 29.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 38.5 t60 -59.97 -53.71 54.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE1' HD22 ' A' ' 53' ' ' LEU . 38.5 t80 -44.85 -69.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -44.14 -45.57 8.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -57.64 -40.24 78.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.5 mt -58.21 -48.94 78.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.565 HD22 ' CE1' ' A' ' 49' ' ' TYR . 3.7 mm? -48.12 -52.59 19.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -64.03 -48.12 77.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -51.24 -43.22 61.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.85 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -46.51 -38.42 9.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 20' ' ' LEU . 52.8 mt-10 -67.55 -64.68 0.81 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 17' ' ' GLU . 39.8 mm-40 -37.05 -57.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 4.5 ptmt -60.33 -34.67 74.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.466 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 32.6 tp -62.02 -53.86 49.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.51 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -54.03 -36.79 63.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.866 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.482 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 81.9 t60 -67.83 -59.79 3.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mt -59.18 -56.9 16.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -41.48 -47.79 3.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.087 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -38.77 80.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.482 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 13.3 mt -60.2 -53.79 53.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.455 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 35.1 mtm -134.96 89.38 24.56 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.575 0.702 . . . . 0.0 110.866 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -23.45 30.45 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.338 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.412 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 61.2 p -107.79 30.14 6.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.455 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 92.8 mm-40 -135.0 39.56 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.567 ' CZ2' HD12 ' A' ' 46' ' ' LEU . 76.8 m95 -57.16 -36.63 71.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.7 mtm105 -64.71 -18.61 65.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.2 m -97.66 -37.03 10.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.8 mt -72.67 -33.2 43.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.5 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -49.43 -58.67 8.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.576 0.703 . . . . 0.0 111.153 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 53.3 Cg_endo -69.8 -12.17 32.29 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 90.3 mt -91.61 -15.35 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.6 mt -113.55 -34.3 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.96 -35.34 2.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.81 178.56 6.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.912 0.386 . . . . 0.0 110.834 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 27.8 p -89.82 161.11 16.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.472 ' N ' ' HB1' ' A' ' 35' ' ' ALA . . . -48.98 -51.6 29.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.01 -49.76 72.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -58.69 -48.89 79.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 85.1 m -59.43 -56.4 22.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.567 HD12 ' CZ2' ' A' ' 31' ' ' TRP . 22.7 tp -58.55 -39.85 81.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -61.68 -50.46 72.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -66.83 -56.26 11.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.559 ' CE1' HD23 ' A' ' 53' ' ' LEU . 28.5 t80 -43.83 -63.03 0.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -47.23 -48.58 24.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -52.62 -39.02 61.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.434 ' CD1' HD23 ' A' ' 21' ' ' LEU . 17.9 mt -60.31 -50.16 74.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.559 HD23 ' CE1' ' A' ' 49' ' ' TYR . 3.7 mm? -47.55 -52.64 16.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -64.88 -47.25 78.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -51.95 -42.83 63.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.817 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.75 -38.12 3.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' LEU . 43.3 mt-10 -66.92 -62.35 1.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' GLU . 58.5 mt-10 -37.43 -58.09 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.467 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 7.1 ptmt -58.51 -35.78 72.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.467 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 31.3 tp -61.2 -53.41 57.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.519 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -55.94 -35.34 66.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.539 ' CD2' HD11 ' A' ' 26' ' ' LEU . 74.8 t60 -69.66 -62.51 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mt -58.3 -54.49 46.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.5 -46.62 6.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -70.17 -43.18 71.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.539 HD11 ' CD2' ' A' ' 22' ' ' HIS . 11.0 mt -55.76 -55.87 27.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.456 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 19.6 mtm -135.05 89.57 23.73 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.606 0.717 . . . . 0.0 110.872 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.442 ' O ' ' NE1' ' A' ' 31' ' ' TRP . 53.3 Cg_endo -69.77 -42.8 3.08 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.685 2.256 . . . . 0.0 112.312 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.0 p -87.02 23.16 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.199 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.456 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 86.3 mm-40 -130.21 38.59 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.559 ' CZ2' HD11 ' A' ' 46' ' ' LEU . 79.6 m95 -54.39 -34.0 60.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -60.08 -19.73 54.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 51.6 m -97.6 -38.62 9.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.2 mt -72.66 -20.05 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.514 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -64.95 -57.92 14.4 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.608 0.718 . . . . 0.0 111.123 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 53.5 Cg_endo -69.84 -14.87 36.41 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.695 2.263 . . . . 0.0 112.299 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 81.8 mt -86.03 -23.88 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.2 mt -102.62 -40.01 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 128.56 -25.71 4.72 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.456 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.0 mtt85 -98.2 178.24 5.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.891 0.377 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.1 p -82.92 158.33 22.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.123 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.466 ' N ' ' HB3' ' A' ' 35' ' ' ALA . . . -53.85 -50.06 67.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.057 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.81 -45.33 74.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -63.5 -54.02 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 87.8 m -52.95 -45.89 67.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.559 HD11 ' CZ2' ' A' ' 31' ' ' TRP . 15.3 tp -63.61 -49.22 74.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -54.53 -59.39 4.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -57.93 -47.53 82.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.534 ' CE1' HD22 ' A' ' 53' ' ' LEU . 30.6 t80 -47.59 -71.68 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -43.53 -41.78 4.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.453 ' CD1' ' C ' ' A' ' 51' ' ' PHE . 0.3 OUTLIER -58.73 -38.74 79.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.71 -42.47 98.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.534 HD22 ' CE1' ' A' ' 49' ' ' TYR . 3.0 mm? -56.87 -53.13 61.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -68.13 -40.56 82.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -50.96 -44.05 60.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.065 179.823 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 16' ' ' GLU . 38.3 mt-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.799 0.333 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' GLU . 9.6 mm-40 -34.75 -40.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' LEU . 86.9 mt-10 -65.55 -61.08 2.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' GLU . 51.7 mt-10 -36.93 -57.4 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.471 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 6.8 ptmt -61.16 -32.41 72.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 17' ' ' GLU . 30.1 tp -64.12 -53.07 55.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -55.72 -34.35 65.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.555 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 75.4 t60 -71.49 -61.92 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.8 mt -55.59 -54.03 49.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.67 -44.14 8.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -71.23 -40.38 71.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.555 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 10.4 mt -60.8 -55.78 29.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.454 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 22.2 mtm -135.05 86.23 32.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.554 0.692 . . . . 0.0 110.833 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.464 ' O ' ' NE1' ' A' ' 31' ' ' TRP . 53.8 Cg_endo -69.81 -24.79 29.05 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.323 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.429 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 58.7 p -105.17 27.4 8.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.454 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 89.4 mm-40 -134.91 36.7 3.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.475 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 74.1 m95 -52.26 -39.8 60.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -58.16 -18.81 28.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.424 ' C ' ' HD2' ' A' ' 36' ' ' PRO . 91.2 m -97.63 -35.5 10.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 76.2 mt -75.84 -15.69 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.159 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.567 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -64.18 -55.55 30.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.535 0.683 . . . . 0.0 111.092 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.567 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 53.8 Cg_endo -69.73 -10.75 29.34 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 80.1 mt -90.76 -31.37 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.9 mt -96.94 -36.63 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.29 -15.65 10.01 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.514 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.6 mtp180 -102.84 178.11 4.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.92 0.391 . . . . 0.0 110.861 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 p -89.87 150.27 22.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -41.96 -44.71 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.14 -46.81 72.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.403 ' N ' ' CD ' ' A' ' 44' ' ' GLN . 5.8 mm-40 -66.28 -60.09 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 92.9 m -43.92 -40.26 4.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.475 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 52.6 tp -75.61 -50.38 15.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -52.23 -61.58 2.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -54.53 -55.76 25.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.534 ' CE1' HD23 ' A' ' 53' ' ' LEU . 45.8 t80 -41.78 -69.96 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -44.93 -46.22 10.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -56.7 -34.67 67.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.411 ' CD1' HD23 ' A' ' 21' ' ' LEU . 28.1 mt -65.54 -50.6 64.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.534 HD23 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -47.7 -53.32 15.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -67.49 -42.1 83.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -57.28 -37.4 72.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.05 179.867 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.1 m -153.93 177.8 10.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.863 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.6 p -130.57 159.64 36.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.89 50.41 2.61 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 t -126.41 169.52 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.92 0.391 . . . . 0.0 110.816 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -66.02 149.07 50.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.9 -85.86 0.16 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.45 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -64.17 -47.11 81.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -63.51 165.23 8.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 88.3 m -153.2 113.86 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -93.17 133.38 36.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.521 ' CD2' ' CD2' ' A' ' 48' ' ' HIS . 19.5 m95 -84.94 165.87 17.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.5 t -127.22 157.71 39.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.5 tpt85 -41.26 -42.54 2.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -62.69 -54.03 45.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -56.34 -34.88 67.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 20' ' ' LEU . 26.9 mt-10 -70.07 -64.92 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 17' ' ' GLU . 7.5 mm-40 -37.37 -54.93 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 1.3 ptmt -62.47 -34.58 77.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 17' ' ' GLU . 27.2 tp -61.39 -52.55 64.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.966 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.523 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -55.82 -35.78 66.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.914 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.544 ' CD2' HD13 ' A' ' 26' ' ' LEU . 77.9 t60 -68.6 -58.54 4.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.828 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.409 HD12 ' CD1' ' A' ' 38' ' ' ILE . 4.3 mt -58.07 -58.71 7.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -40.35 -46.76 2.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -68.32 -42.41 79.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.544 HD13 ' CD2' ' A' ' 22' ' ' HIS . 9.4 mt -58.11 -54.49 46.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.443 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 30.1 mtm -135.0 82.94 41.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.579 0.704 . . . . 0.0 110.913 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -7.19 20.44 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.728 2.286 . . . . 0.0 112.298 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.0 p -119.23 18.7 12.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.443 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 89.2 mm-40 -127.44 37.56 4.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -52.7 -36.99 58.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -60.35 -21.58 62.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.42 ' C ' ' HD2' ' A' ' 36' ' ' PRO . 99.9 m -97.68 -39.43 9.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.179 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.7 mt -67.25 -31.83 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.196 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.48 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -53.19 -59.43 9.18 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.574 0.702 . . . . 0.0 111.128 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 54.0 Cg_endo -69.75 -14.52 36.22 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.637 2.225 . . . . 0.0 112.387 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 81.7 mt -88.45 -17.05 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.409 ' CD1' HD12 ' A' ' 23' ' ' LEU . 18.3 mt -110.45 -35.89 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.169 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.54 -31.91 3.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.509 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -90.74 169.87 10.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.856 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.9 p -79.22 162.7 25.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.469 ' N ' ' HB3' ' A' ' 35' ' ' ALA . . . -51.23 -51.09 57.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.9 -44.14 94.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -61.89 -44.75 96.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.0 m -62.0 -53.31 57.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.3 tp -61.66 -49.49 76.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -54.64 -52.4 62.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.521 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 67.6 t60 -62.86 -52.22 63.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.547 ' CE1' HD23 ' A' ' 53' ' ' LEU . 29.6 t80 -47.59 -66.3 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.931 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -45.37 -46.08 12.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -54.77 -39.5 68.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.9 mt -60.5 -51.08 70.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.547 HD23 ' CE1' ' A' ' 49' ' ' TYR . 3.7 mm? -46.12 -52.0 12.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -65.6 -46.26 80.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.808 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -53.29 -43.64 67.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.78 -50.19 74.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.87 -50.78 65.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 59' ' ' ARG . 78.7 mm-40 -51.4 -44.2 62.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 58' ' ' GLN . 3.8 tpt180 -34.58 129.59 0.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -40.7 -46.38 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.7 m -38.47 115.85 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.26 145.5 49.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 165.6 30.43 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 65' ' ' SER . 15.0 t -103.58 94.86 5.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 64' ' ' SER . 14.4 m -36.13 102.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.9 p -140.56 117.1 10.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.865 0.364 . . . . 0.0 110.884 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t 55.9 42.35 28.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.31 167.68 13.03 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.492 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.9 t -103.07 124.43 48.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 110.877 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 t -135.19 163.6 29.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.51 -167.6 14.0 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -110.12 152.39 26.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -138.83 116.31 11.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.1 m -52.09 101.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.5 mp0 -73.64 128.45 35.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.691 ' CD2' ' CD2' ' A' ' 48' ' ' HIS . 19.0 m95 -80.53 149.59 29.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 14' ' ' ARG . 25.4 p -105.09 151.28 24.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 13' ' ' SER . 5.2 tpp85 -37.95 -40.06 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -68.5 -49.53 58.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.463 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 57.4 mt-10 -53.9 -36.17 62.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 20' ' ' LEU . 51.5 mt-10 -70.98 -66.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 17' ' ' GLU . 12.4 mm-40 -37.72 -55.35 1.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.464 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 2.0 ptmt -60.23 -36.21 77.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.949 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.464 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 25.9 tp -60.77 -53.04 62.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.52 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -55.75 -35.02 65.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.606 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 72.1 t60 -69.74 -63.86 0.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.4 mt -54.48 -54.99 33.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.15 -45.06 8.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.55 -38.92 70.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.606 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 12.5 mt -60.41 -54.3 47.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.449 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 24.1 mtm -135.03 83.25 40.36 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.625 0.726 . . . . 0.0 110.857 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -8.95 24.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.713 2.276 . . . . 0.0 112.341 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.5 p -118.38 20.14 13.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.449 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 87.6 mm-40 -131.0 39.91 3.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -52.89 -37.76 60.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -59.37 -18.63 40.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.442 ' CG2' HD12 ' A' ' 37' ' ' ILE . 58.4 m -97.6 -33.88 11.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.416 ' CG2' HD13 ' A' ' 38' ' ' ILE . 99.2 mt -75.49 -27.93 19.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.497 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -56.24 -58.86 14.03 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.548 0.69 . . . . 0.0 111.056 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 54.2 Cg_endo -69.68 -11.67 31.44 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.442 HD12 ' CG2' ' A' ' 33' ' ' THR . 89.2 mt -91.85 -17.88 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.416 HD13 ' CG2' ' A' ' 34' ' ' ILE . 21.2 mt -110.72 -32.09 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.1 -27.49 6.71 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.45 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.71 174.94 7.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.364 . . . . 0.0 110.875 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 37.1 p -86.8 155.76 20.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.429 ' N ' ' HB3' ' A' ' 35' ' ' ALA . . . -46.25 -52.55 12.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.077 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.89 -41.6 58.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -64.01 -60.57 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.5 m -44.66 -47.43 10.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 53.6 tp -64.24 -53.67 45.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -53.25 -61.0 2.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.691 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 58.9 t60 -56.27 -53.47 56.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.551 ' CE1' HD22 ' A' ' 53' ' ' LEU . 30.4 t80 -45.45 -69.02 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -44.91 -45.52 10.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.554 ' CE2' ' HD3' ' A' ' 55' ' ' LYS . 11.6 t80 -56.07 -33.13 64.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.404 ' CD1' HD23 ' A' ' 21' ' ' LEU . 26.1 mt -67.33 -40.57 85.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.551 HD22 ' CE1' ' A' ' 49' ' ' TYR . 3.3 mm? -59.45 -50.3 74.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -70.15 -39.29 75.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.554 ' HD3' ' CE2' ' A' ' 51' ' ' PHE . 36.5 ttpt -54.66 -48.75 71.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.41 -40.56 8.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.108 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.71 -50.85 14.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 59' ' ' ARG . 64.4 mt-30 -44.51 -44.08 8.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 58' ' ' GLN . 31.1 ttt85 -34.54 -45.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -41.73 105.7 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.819 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 t -139.18 163.95 31.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -104.49 -170.98 24.73 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 94.37 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.391 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.3 m -81.98 98.84 8.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -113.01 -60.43 1.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.8 p -112.65 -49.32 2.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.862 0.363 . . . . 0.0 110.824 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 m -76.71 125.63 29.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.798 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.32 -66.2 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.472 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.7 p -171.55 148.56 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 0.0 110.821 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -76.63 93.45 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.41 122.83 0.7 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.415 ' HD3' ' C ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -48.8 133.58 17.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 110.917 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 pttm -100.93 174.28 6.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 59.8 m -141.59 111.32 6.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -112.93 148.0 35.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.691 ' CD2' ' CD2' ' A' ' 48' ' ' HIS . 26.0 m95 -92.7 152.67 19.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 t -112.9 170.19 8.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.4 tpm_? -50.69 -40.13 53.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -67.92 -57.02 6.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.415 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 1.7 mp0 -48.5 -35.9 14.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 20' ' ' LEU . 39.0 mt-10 -70.32 -65.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -38.61 -55.55 1.42 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.473 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 8.4 ptmt -59.46 -34.88 73.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.473 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 34.9 tp -63.02 -55.14 28.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.966 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.513 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -52.82 -35.28 56.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.541 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 74.7 t60 -69.72 -61.63 1.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.438 HD11 ' CD1' ' A' ' 38' ' ' ILE . 3.9 mt -53.02 -59.95 3.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 23' ' ' LEU . . . -35.79 -48.18 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.2 ttmt -66.81 -49.58 65.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.541 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 9.1 mt -50.72 -55.11 18.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.448 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 24.7 mtm -135.0 84.23 37.86 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.603 0.716 . . . . 0.0 110.905 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -11.54 31.08 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.673 2.249 . . . . 0.0 112.319 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.495 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 38.9 p -118.56 27.22 9.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.108 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 29' ' ' THR . 87.1 mm-40 -134.72 36.13 3.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 76.7 m95 -51.87 -41.75 62.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -61.69 -17.73 56.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.6 m -97.58 -33.68 11.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.148 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.411 HG23 ' CD1' ' A' ' 23' ' ' LEU . 89.4 mt -76.74 -28.99 17.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.51 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -47.85 -58.27 8.15 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 0.0 111.116 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 53.4 Cg_endo -69.77 -11.14 30.22 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.357 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 90.7 mt -91.67 -17.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.438 ' CD1' HD11 ' A' ' 23' ' ' LEU . 18.3 mt -110.56 -34.05 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.68 -27.64 6.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.521 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.6 176.8 6.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.912 0.387 . . . . 0.0 110.867 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.3 p -85.49 153.42 22.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.458 ' N ' ' HB3' ' A' ' 35' ' ' ALA . . . -46.65 -47.33 20.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.124 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.16 -52.31 65.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.068 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -59.47 -42.77 92.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 70.8 m -61.7 -51.47 68.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.4 tp -62.7 -47.95 81.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -60.12 -51.22 70.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.691 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 70.6 t60 -61.95 -51.02 69.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.559 ' CE1' HD23 ' A' ' 53' ' ' LEU . 28.1 t80 -47.08 -69.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -46.1 -45.45 16.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.498 ' CE2' ' HD3' ' A' ' 55' ' ' LYS . 32.7 t80 -54.28 -40.28 67.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.433 ' CD1' HD22 ' A' ' 21' ' ' LEU . 90.6 mt -60.37 -47.69 84.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.559 HD23 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -49.42 -53.68 21.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.94 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -67.88 -46.26 72.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.498 ' HD3' ' CE2' ' A' ' 51' ' ' PHE . 38.9 ttpt -49.85 -42.8 48.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.1 -44.44 71.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.89 -49.43 76.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -62.39 -50.94 69.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -61.99 93.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -97.06 110.54 23.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.4 t -88.79 42.6 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.834 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -131.48 148.2 18.87 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -34.77 13.75 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.634 2.223 . . . . 0.0 112.319 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.7 m -94.65 138.36 32.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.0 m -64.08 151.55 42.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.469 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -61.21 -56.95 14.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 110.796 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 t -101.0 146.3 27.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.71 88.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.2 p -57.08 93.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 110.793 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 t -115.09 132.08 56.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.93 172.91 45.19 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -77.44 -58.2 3.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.869 0.366 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 pmtp? -42.95 149.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.7 m -67.32 126.3 28.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -108.68 138.56 44.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.748 ' CD2' ' CD2' ' A' ' 48' ' ' HIS . 29.6 m95 -89.82 175.61 7.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 14' ' ' ARG . 1.1 t -142.5 151.67 41.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.85 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 13' ' ' SER . 14.5 tpt180 -34.19 -42.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.1 -63.45 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.405 ' HG3' ' NH1' ' A' ' 40' ' ' ARG . 1.3 mm-40 -45.63 -35.95 4.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.939 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 20' ' ' LEU . 48.2 mt-10 -65.39 -63.91 0.99 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' GLU . 15.2 mt-10 -36.16 -57.01 0.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.467 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 7.1 ptmt -63.31 -33.08 74.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 17' ' ' GLU . 34.5 tp -61.3 -53.72 53.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.507 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -53.58 -37.65 63.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.606 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 76.2 t60 -68.89 -59.73 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 mt -56.35 -56.32 22.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -42.68 -46.09 4.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.068 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.77 -42.95 73.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.606 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 11.4 mt -55.05 -54.54 41.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.447 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 26.5 mtm -135.0 84.33 37.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.554 0.693 . . . . 0.0 110.874 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -8.87 24.69 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.324 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.475 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 38.5 p -121.38 27.01 8.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' A' ' 29' ' ' THR . 86.4 mm-40 -134.87 38.34 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.561 ' CZ2' HD12 ' A' ' 46' ' ' LEU . 75.1 m95 -54.44 -32.72 58.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -64.85 -20.6 66.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 62.1 m -97.73 -38.84 9.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.6 mt -72.42 -29.41 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.496 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -53.44 -58.66 11.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.597 0.713 . . . . 0.0 111.099 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 53.4 Cg_endo -69.75 -12.9 33.85 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.689 2.259 . . . . 0.0 112.314 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 84.4 mt -88.49 -16.31 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.7 mt -111.73 -39.39 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 130.3 -29.75 3.6 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.41 ' CG ' ' OE1' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -88.64 -175.93 5.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.376 . . . . 0.0 110.859 -179.858 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.6 p -97.64 153.41 18.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.457 ' N ' ' HB2' ' A' ' 35' ' ' ALA . . . -39.49 -57.7 1.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.056 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.17 -45.19 53.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.056 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.41 ' OE1' ' CG ' ' A' ' 40' ' ' ARG . 88.8 mt-30 -62.36 -49.41 75.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 92.2 m -56.16 -54.01 50.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.813 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.561 HD12 ' CZ2' ' A' ' 31' ' ' TRP . 28.8 tp -61.23 -55.81 27.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -51.35 -58.41 6.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.748 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 23.2 t60 -55.74 -54.05 49.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.561 ' CE1' HD21 ' A' ' 53' ' ' LEU . 33.4 t80 -46.63 -71.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -43.52 -46.06 6.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -54.96 -42.06 71.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.42 ' CD1' HD21 ' A' ' 21' ' ' LEU . 96.0 mt -57.94 -48.67 79.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.561 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.7 mm? -49.56 -53.28 24.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -64.92 -47.84 76.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -47.99 -43.4 29.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.15 -43.5 95.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.053 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.85 -52.19 61.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -62.46 -44.8 95.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -49.3 116.7 1.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -93.31 116.27 28.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 62' ' ' GLY . 93.5 p -54.42 142.19 27.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 61' ' ' SER . . . -36.63 -83.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 96.09 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.673 2.248 . . . . 0.0 112.317 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.0 t -66.8 110.99 3.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 61.0 p -41.49 146.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.857 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 -179.962 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -117.9 -58.7 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.896 0.379 . . . . 0.0 110.856 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.6 p -102.15 126.93 49.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.75 86.53 0.53 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -113.67 -52.52 2.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.382 . . . . 0.0 110.806 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 m -47.43 132.88 13.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.21 -163.05 13.74 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -115.5 41.6 2.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? 47.17 44.79 15.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.8 t -112.69 143.05 44.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -113.31 137.5 51.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -95.77 161.99 13.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 14' ' ' ARG . 3.8 t -120.59 156.57 31.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.835 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 13' ' ' SER . 21.3 tpp180 -36.82 -41.23 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -65.13 -60.41 3.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -47.45 -37.84 12.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 20' ' ' LEU . 62.0 mt-10 -68.94 -64.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 17' ' ' GLU . 7.8 mm-40 -36.32 -56.03 0.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 8.1 ptmt -61.17 -34.78 75.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 17' ' ' GLU . 38.3 tp -62.07 -51.13 69.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.525 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -57.86 -34.2 69.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.862 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.551 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 79.2 t60 -68.28 -58.95 3.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 26' ' ' LEU . 3.8 mt -55.88 -61.93 2.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 23' ' ' LEU . . . -35.08 -49.02 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -40.34 87.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.551 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 9.9 mt -61.84 -53.94 48.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.449 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 31.0 mtm -135.0 85.82 33.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 110.897 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -12.52 32.89 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.254 . . . . 0.0 112.293 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 64.9 p -118.98 30.04 7.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.449 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 93.1 mm-40 -135.01 35.67 3.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -51.32 -40.37 58.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.87 -21.21 56.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.416 ' C ' ' HD2' ' A' ' 36' ' ' PRO . 90.9 m -97.18 -37.16 10.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 94.2 mt -68.21 -30.2 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.487 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -52.74 -59.28 9.16 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.634 0.73 . . . . 0.0 111.103 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 54.0 Cg_endo -69.71 -10.86 29.65 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.722 2.281 . . . . 0.0 112.358 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 95.3 mt -91.42 -17.77 7.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.3 mt -111.33 -37.51 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.05 -29.33 4.39 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -89.51 176.08 7.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 110.879 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.415 ' HG1' ' NE2' ' A' ' 44' ' ' GLN . 71.1 p -83.62 159.03 21.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.449 ' N ' ' HB3' ' A' ' 35' ' ' ALA . . . -51.63 -39.8 58.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.81 -40.95 68.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.415 ' NE2' ' HG1' ' A' ' 41' ' ' THR . 33.9 mt-30 -64.1 -48.35 76.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 85.1 m -59.64 -49.63 77.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.9 tp -63.2 -42.41 99.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -60.87 -55.66 30.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -60.04 -50.66 72.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.539 ' CE1' HD23 ' A' ' 53' ' ' LEU . 34.2 t80 -47.92 -69.0 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -41.42 -44.36 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -60.18 -36.57 77.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 49' ' ' TYR . 47.4 mt -61.25 -43.68 98.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.539 HD23 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -54.59 -52.36 62.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -68.57 -42.33 78.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -54.7 -43.2 72.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.22 -41.86 84.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.063 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.27 -51.1 70.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -49.71 -50.62 43.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.451 ' HG2' ' N ' ' A' ' 60' ' ' ASP . 7.6 ttm105 -71.06 150.04 45.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.451 ' N ' ' HG2' ' A' ' 59' ' ' ARG . 4.4 m-20 -106.81 124.44 49.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 62' ' ' GLY . 5.4 m -118.66 106.09 12.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 61' ' ' SER . . . 34.33 -97.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.41 ' N ' ' O ' ' A' ' 61' ' ' SER . 54.2 Cg_endo -69.72 179.65 3.53 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.697 2.265 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.3 t -146.61 129.03 15.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.1 m -133.25 148.88 51.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -77.93 147.42 35.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 0.0 110.862 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -125.56 93.06 3.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.81 89.32 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.6 m -154.98 164.37 39.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -147.1 173.93 12.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.62 -114.32 0.82 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.3 tptt -104.92 -53.98 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -49.87 134.66 20.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.8 m -72.39 136.49 46.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -135.77 141.06 44.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.689 ' CD2' ' CD2' ' A' ' 48' ' ' HIS . 19.6 m95 -95.78 172.76 7.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.1 m -140.19 168.13 20.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.836 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -45.35 -40.29 7.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -64.66 -63.89 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.481 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 1.6 mp0 -49.11 -34.77 14.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 20' ' ' LEU . 56.9 mt-10 -69.44 -63.95 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 17' ' ' GLU . 5.8 mm-40 -38.44 -57.44 1.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.464 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 1.6 ptmt -58.48 -36.0 73.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.464 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 27.4 tp -61.25 -56.62 18.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.507 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -51.06 -37.36 45.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.604 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 72.8 t60 -67.6 -62.61 1.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mt -53.99 -57.95 9.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -39.18 -45.27 1.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -70.68 -42.47 70.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.604 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 10.1 mt -58.77 -56.12 26.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.445 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 15.9 mtm -135.01 86.97 30.73 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.547 0.689 . . . . 0.0 110.896 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.472 ' O ' ' NE1' ' A' ' 31' ' ' TRP . 53.5 Cg_endo -69.75 -37.66 8.9 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.8 p -92.42 24.28 3.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.445 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 97.5 mm-40 -131.73 39.49 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.472 ' NE1' ' O ' ' A' ' 28' ' ' PRO . 77.8 m95 -54.65 -38.35 66.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -58.84 -18.78 35.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.45 ' CG2' HD13 ' A' ' 37' ' ' ILE . 49.9 m -97.35 -35.46 10.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 85.4 mt -74.7 -20.94 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.141 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.5 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -63.06 -58.64 15.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.539 0.685 . . . . 0.0 111.079 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 54.1 Cg_endo -69.75 -11.94 31.89 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.45 HD13 ' CG2' ' A' ' 33' ' ' THR . 95.3 mt -90.68 -20.64 6.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.8 mt -107.01 -36.62 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.51 -25.37 6.6 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -91.2 176.77 6.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 110.882 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 80.9 p -88.27 146.56 25.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.434 ' N ' ' HB2' ' A' ' 35' ' ' ALA . . . -38.22 -52.05 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.52 -44.64 85.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -62.62 -46.47 88.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 94.9 m -60.68 -52.82 63.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.415 HD11 ' CZ2' ' A' ' 31' ' ' TRP . 21.8 tp -62.16 -48.67 79.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -56.71 -54.27 48.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.689 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 76.2 t60 -60.16 -50.11 74.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.551 ' CE1' HD21 ' A' ' 53' ' ' LEU . 35.1 t80 -48.5 -70.71 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -42.18 -44.88 3.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -57.17 -40.14 76.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.8 mt -59.23 -44.59 92.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.551 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -52.73 -52.42 56.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -67.16 -45.4 77.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -51.71 -37.52 51.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.28 -33.54 73.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -84.97 -43.05 14.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -63.67 -50.0 70.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -46.35 157.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.6 t0 66.5 41.82 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.9 t -98.6 -51.01 4.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -132.07 86.32 0.29 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.452 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 122.38 9.06 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.652 2.235 . . . . 0.0 112.349 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.0 p -121.73 -43.66 2.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.7 p 38.25 42.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.504 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -49.27 -48.93 45.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.897 0.38 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -147.69 162.34 39.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.806 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.17 69.54 2.21 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -131.39 96.78 4.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 110.846 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.8 p -131.51 157.92 42.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.97 -49.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm -56.19 -58.82 6.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -110.92 176.54 4.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 62.9 m -120.79 100.56 7.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.111 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.18 140.05 37.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.703 ' CD2' ' CD2' ' A' ' 48' ' ' HIS . 34.9 m95 -84.84 151.01 24.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.95 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.3 m -116.48 163.51 15.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -42.75 -41.3 3.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.71 -59.61 3.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.453 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 54.2 mt-10 -45.33 -38.48 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 20' ' ' LEU . 47.0 mt-10 -70.3 -64.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -39.3 -55.1 1.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 5.5 ptmt -60.49 -34.4 74.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.462 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 29.5 tp -62.9 -55.15 28.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.515 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -53.03 -38.09 62.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.558 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 76.7 t60 -66.53 -58.54 4.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 26' ' ' LEU . 3.4 mt -54.63 -63.03 1.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 23' ' ' LEU . . . -34.91 -48.71 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -65.76 -43.04 90.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.558 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 9.6 mt -58.38 -53.4 58.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.451 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 25.9 mtm -134.98 82.76 42.01 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.565 0.698 . . . . 0.0 110.897 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -0.98 7.73 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.351 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.473 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 29.5 p -130.07 26.48 5.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.473 ' NE2' ' O ' ' A' ' 29' ' ' THR . 79.8 mm-40 -133.54 37.49 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 76.7 m95 -51.88 -41.49 61.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -59.29 -18.65 39.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.414 ' C ' ' HD2' ' A' ' 36' ' ' PRO . 25.0 m -97.6 -38.06 9.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 66.8 mt -70.53 -28.14 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.509 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -53.77 -58.25 14.0 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 111.143 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 53.4 Cg_endo -69.77 -11.14 30.22 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.687 2.258 . . . . 0.0 112.322 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 94.0 mt -91.72 -17.58 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.4 mt -110.92 -33.5 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.74 -30.06 5.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.93 178.69 6.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 65.7 p -90.53 154.9 19.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.459 ' N ' ' HB3' ' A' ' 35' ' ' ALA . . . -44.42 -42.21 6.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.06 -55.03 29.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.073 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -55.45 -42.1 73.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 92.2 m -63.43 -50.73 68.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.5 tp -61.95 -56.36 19.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -50.11 -53.25 28.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.703 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 44.5 t60 -60.32 -55.32 35.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.516 ' CZ ' HD22 ' A' ' 53' ' ' LEU . 37.2 t80 -46.36 -66.49 0.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -43.55 -46.72 7.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -56.66 -37.28 70.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.462 ' CD1' HD21 ' A' ' 21' ' ' LEU . 18.1 mt -61.12 -43.8 98.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.516 HD22 ' CZ ' ' A' ' 49' ' ' TYR . 3.4 mm? -54.5 -53.19 57.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -65.63 -40.12 92.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.2 tttm -59.58 -45.91 90.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.44 -47.45 48.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.25 -43.92 79.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -54.87 -49.8 70.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -70.33 85.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -99.38 41.66 1.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 t -119.08 -60.92 1.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 124.14 143.93 6.33 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 138.77 38.71 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.3 t -129.33 -58.43 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 m -131.87 140.23 49.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.826 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.2 p -132.38 -47.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.842 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 m -120.95 169.66 10.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.89 -89.62 1.56 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.467 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.5 p -116.69 148.92 40.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 110.864 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 p -83.61 141.18 31.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.44 -151.65 7.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -89.37 133.86 34.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.91 0.385 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -102.09 124.25 47.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.6 m -114.15 38.3 3.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.183 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -53.26 146.08 12.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.747 ' CD2' ' CD2' ' A' ' 48' ' ' HIS . 35.2 m95 -81.07 147.05 30.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 14' ' ' ARG . 4.0 m -112.98 149.99 32.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 13' ' ' SER . 6.5 tpp85 -34.05 -39.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -66.83 -61.35 2.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.509 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 20.1 mt-10 -47.13 -37.49 9.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 20' ' ' LEU . 48.3 mt-10 -68.52 -65.33 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -38.98 -57.59 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.469 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -57.69 -35.62 70.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.569 HD21 ' CH2' ' A' ' 12' ' ' TRP . 27.5 tp -61.64 -54.5 41.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -54.19 -34.92 61.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.568 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 76.6 t60 -71.03 -65.54 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mt -54.52 -53.11 58.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.86 -48.56 11.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.36 -39.83 77.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.568 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 15.7 mt -57.03 -52.76 63.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.451 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 33.3 mtm -135.03 86.35 32.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.605 0.717 . . . . 0.0 110.869 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -9.56 26.41 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.356 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.3 p -121.61 28.89 7.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.451 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 94.6 mm-40 -134.96 35.56 3.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.555 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 76.0 m95 -52.18 -36.91 53.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -64.42 -20.92 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.6 m -97.45 -35.61 10.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.3 mt -72.56 -30.59 34.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.499 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -52.12 -58.5 11.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.564 0.697 . . . . 0.0 111.086 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 53.9 Cg_endo -69.75 -7.48 21.15 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.668 2.246 . . . . 0.0 112.342 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 92.4 mt -95.47 -20.58 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 28.2 mt -107.12 -37.23 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.166 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.82 28.53 3.64 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.522 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.636 ' NE ' ' CZ2' ' A' ' 12' ' ' TRP . 40.3 mtp85 -143.31 -178.67 5.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.926 0.393 . . . . 0.0 110.838 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 44' ' ' GLN . 23.5 p -90.54 131.85 36.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.119 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 41' ' ' THR . . . -33.88 -43.8 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.8 84.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.079 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 41' ' ' THR . 10.6 mt-30 -59.85 -52.56 64.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 88.3 m -54.62 -50.51 67.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.555 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 23.8 tp -61.44 -55.06 35.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -53.72 -60.82 2.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.747 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 70.1 t60 -53.92 -52.06 61.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.566 ' CE1' HD23 ' A' ' 53' ' ' LEU . 28.6 t80 -43.69 -72.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -43.22 -48.29 6.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.562 ' CE2' ' HD3' ' A' ' 55' ' ' LYS . 47.6 t80 -52.86 -38.24 61.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.44 -42.46 99.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.566 HD23 ' CE1' ' A' ' 49' ' ' TYR . 3.7 mm? -56.19 -51.47 67.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -70.33 -39.36 74.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.808 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.562 ' HD3' ' CE2' ' A' ' 51' ' ' PHE . 19.4 ttpp -53.85 -43.94 69.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.33 -46.17 83.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.52 -49.45 77.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -47.45 -45.46 25.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -61.5 156.37 19.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.91 123.72 32.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.0 t -64.41 -55.15 22.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -159.43 -155.14 7.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -34.21 15.08 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 61.9 m -97.7 171.39 8.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.6 p -104.28 -47.61 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.826 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.491 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.4 p -121.68 99.03 6.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.94 0.4 . . . . 0.0 110.837 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -57.83 175.3 0.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.21 99.53 2.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p -145.69 151.36 37.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.847 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m -84.84 -52.75 5.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.55 -137.5 2.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.517 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.17 100.39 4.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -142.54 142.82 32.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.412 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 24.0 m -76.63 135.8 39.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -118.73 128.94 54.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.562 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 23.9 m95 -83.23 141.67 31.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 14' ' ' ARG . 39.5 m -109.25 160.34 16.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 13' ' ' SER . 6.4 ttp-105 -33.91 -64.28 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -42.97 -61.86 1.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -48.88 -39.85 27.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 20' ' ' LEU . 52.0 mt-10 -68.32 -65.27 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 17' ' ' GLU . 5.3 mm-40 -37.8 -56.5 1.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -60.14 -34.06 73.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.461 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 33.9 tp -62.86 -53.55 52.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.514 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -54.97 -36.12 65.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.521 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 80.1 t60 -68.58 -59.25 3.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.43 HD11 ' CD1' ' A' ' 38' ' ' ILE . 4.3 mt -56.65 -59.65 4.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -37.85 -47.6 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -68.16 -41.05 82.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.521 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 9.8 mt -60.3 -54.0 50.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.442 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 31.5 mtm -135.03 85.31 34.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.586 0.707 . . . . 0.0 110.882 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -10.12 27.74 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.305 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.427 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 40.7 p -120.86 29.16 7.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.154 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.442 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 86.9 mm-40 -134.8 38.24 3.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.499 ' CZ2' HD11 ' A' ' 46' ' ' LEU . 73.3 m95 -53.73 -37.42 63.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 ttm-85 -62.44 -21.11 65.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 74.6 m -97.66 -36.7 10.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.462 ' CG2' HD13 ' A' ' 38' ' ' ILE . 82.7 mt -72.76 -26.6 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.49 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -54.33 -59.3 10.54 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.575 0.702 . . . . 0.0 111.103 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 54.1 Cg_endo -69.71 -14.39 36.18 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.721 2.281 . . . . 0.0 112.381 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 90.2 mt -89.11 -15.11 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.462 HD13 ' CG2' ' A' ' 34' ' ' ILE . 17.2 mt -112.64 -35.01 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.28 -32.01 3.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.38 179.59 5.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.897 0.379 . . . . 0.0 110.864 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.7 p -84.09 168.23 16.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.186 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.465 ' N ' ' HB1' ' A' ' 35' ' ' ALA . . . -59.61 -44.43 93.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.9 -40.64 91.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -63.48 -53.87 45.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 83.9 m -52.79 -42.42 65.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.499 HD11 ' CZ2' ' A' ' 31' ' ' TRP . 20.9 tp -70.6 -45.53 65.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -58.3 -55.51 34.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 12' ' ' TRP . 68.2 t60 -59.67 -54.92 40.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.556 ' CE1' HD22 ' A' ' 53' ' ' LEU . 31.5 t80 -43.68 -67.89 0.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -44.14 -48.65 9.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -54.04 -36.43 63.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.439 ' CD1' HD22 ' A' ' 21' ' ' LEU . 25.9 mt -62.82 -44.99 94.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.556 HD22 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -53.36 -52.82 58.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -70.6 -39.08 74.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.8 tttt -56.76 -45.69 81.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.13 -41.83 62.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.36 -47.39 78.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.087 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 59' ' ' ARG . 40.5 mt-30 -56.68 -45.59 81.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 58' ' ' GLN . 43.3 ttm180 -34.55 117.29 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -100.18 90.34 4.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.5 p -112.26 -45.0 3.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -90.42 -159.84 35.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.526 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 153.13 69.27 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.66 2.24 . . . . 0.0 112.365 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.2 t -56.21 101.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.847 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.4 m -146.33 177.46 9.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.52 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 p -131.02 158.38 40.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.843 0.354 . . . . 0.0 110.85 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 m -123.98 149.27 46.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.796 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.71 59.45 0.78 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.545 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 t -143.34 164.81 29.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.835 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 m -42.03 162.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.24 43.24 0.57 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.66 137.12 52.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.344 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -155.6 133.35 11.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.423 HG22 ' NH2' ' A' ' 40' ' ' ARG . 55.6 m -89.3 86.48 6.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -117.75 123.19 45.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.694 ' CD2' ' CD2' ' A' ' 48' ' ' HIS . 20.4 m95 -106.96 154.71 20.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 15' ' ' GLU . 3.6 t -112.32 152.37 28.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 13' ' ' SER . 11.5 tpp180 -34.77 -33.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 13' ' ' SER . 7.1 mt-10 -74.88 -70.2 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 15' ' ' GLU . 2.6 mp0 -34.41 -40.29 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 20' ' ' LEU . 54.5 mt-10 -66.18 -61.2 2.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 17' ' ' GLU . 51.0 mt-10 -37.96 -58.95 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 1.8 ptmt -57.59 -32.95 67.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.513 HD22 ' CZ3' ' A' ' 12' ' ' TRP . 15.8 tp -65.29 -55.54 17.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.916 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.509 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -53.19 -32.87 50.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.563 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 79.2 t60 -72.43 -57.91 3.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.444 ' CD1' HG23 ' A' ' 34' ' ' ILE . 4.9 mt -57.64 -55.44 34.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . . . -42.39 -48.28 5.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -67.77 -43.18 80.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.563 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 10.3 mt -55.92 -53.76 52.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.45 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 30.4 mtm -134.31 83.99 42.6 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.561 0.696 . . . . 0.0 110.887 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.07 3.85 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.63 2.22 . . . . 0.0 112.344 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.5 p -135.02 28.45 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.45 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 96.7 mm-40 -134.68 38.02 3.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.52 ' CZ2' HD12 ' A' ' 46' ' ' LEU . 78.2 m95 -52.6 -35.6 54.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -60.98 -21.42 63.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.409 ' C ' ' HD2' ' A' ' 36' ' ' PRO . 92.8 m -97.75 -37.9 9.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.444 HG23 ' CD1' ' A' ' 23' ' ' LEU . 44.5 mt -70.57 -25.83 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.507 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -58.78 -58.3 20.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.594 0.711 . . . . 0.0 111.121 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 53.3 Cg_endo -69.8 -14.95 36.69 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.289 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 87.8 mt -86.45 -23.85 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.9 mt -103.34 -37.9 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.127 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.76 -34.15 2.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.492 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.553 ' HD3' ' CZ2' ' A' ' 12' ' ' TRP . 16.9 mtp85 -92.19 177.75 6.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.368 . . . . 0.0 110.881 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.452 HG22 ' NE2' ' A' ' 44' ' ' GLN . 23.8 p -82.58 170.97 14.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.447 ' N ' ' HB1' ' A' ' 35' ' ' ALA . . . -55.53 -50.28 70.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.36 -69.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.452 ' NE2' HG22 ' A' ' 41' ' ' THR . 2.0 mp0 -37.56 -47.6 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 91.5 m -61.11 -58.66 7.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.52 HD12 ' CZ2' ' A' ' 31' ' ' TRP . 19.2 tp -52.52 -55.45 22.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -42.95 -60.91 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.694 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 75.4 t60 -56.65 -54.09 50.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.543 ' CE1' HD21 ' A' ' 53' ' ' LEU . 31.3 t80 -44.06 -68.97 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -44.17 -49.08 9.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -52.6 -41.24 63.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.9 mt -58.52 -49.01 78.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.543 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -47.78 -54.37 12.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -65.47 -46.46 79.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -51.0 -45.54 61.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.55 -47.41 63.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.77 -46.03 92.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -53.14 -43.98 67.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -51.67 -45.75 63.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -45.39 113.89 0.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.2 t -94.12 143.78 26.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.51 -64.49 1.89 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.468 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.468 ' O ' ' C ' ' A' ' 64' ' ' SER . 53.5 Cg_endo -69.78 4.33 2.26 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.716 2.277 . . . . 0.0 112.326 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 63' ' ' PRO . 82.7 p -32.97 -56.95 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.3 t -64.83 141.58 58.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.828 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.49 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.8 p -53.41 167.96 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.852 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.2 t -87.0 -56.74 3.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.29 79.28 1.19 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.53 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 t -98.27 86.18 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.927 0.394 . . . . 0.0 110.861 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 t -49.08 114.36 0.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.45 -140.62 11.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -78.15 161.24 27.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -103.98 127.79 51.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.0 m -94.93 95.65 8.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -115.56 127.02 54.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.617 ' CD2' ' CD2' ' A' ' 48' ' ' HIS . 21.1 m95 -98.78 162.27 13.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 14' ' ' ARG . 2.1 t -123.98 153.99 40.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 13' ' ' SER . 18.4 ttt180 -36.36 -37.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -67.96 -63.77 0.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.401 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 16.5 mt-10 -50.46 -37.8 40.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' LEU . 34.5 mt-10 -70.36 -61.89 1.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 17' ' ' GLU . 4.7 mm-40 -37.61 -56.43 1.04 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -59.06 -35.96 74.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.466 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 30.9 tp -62.39 -54.94 33.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.94 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.515 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -53.29 -38.58 63.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.474 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 80.9 t60 -64.87 -57.32 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 26' ' ' LEU . 3.7 mt -57.09 -64.45 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 23' ' ' LEU . . . -34.29 -47.6 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -66.75 -42.35 86.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 23' ' ' LEU . 9.5 mt -59.4 -54.04 51.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.958 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.454 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 27.1 mtm -135.0 84.53 37.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.578 0.704 . . . . 0.0 110.88 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.41 23.52 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.7 2.267 . . . . 0.0 112.354 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 63.7 p -121.75 26.65 8.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.454 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 94.0 mm-40 -134.33 36.22 3.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -52.18 -40.08 60.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -59.67 -18.53 42.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.824 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 62.5 m -97.38 -35.3 10.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.5 mt -71.75 -33.35 48.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.532 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -50.06 -57.45 12.6 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.569 0.7 . . . . 0.0 111.083 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 54.0 Cg_endo -69.78 -11.71 31.38 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.656 2.237 . . . . 0.0 112.365 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 95.9 mt -90.95 -17.94 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.8 mt -110.23 -34.91 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 125.33 -31.77 4.13 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.548 ' HD3' ' CZ2' ' A' ' 12' ' ' TRP . 16.3 mtt85 -91.94 172.28 8.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.923 0.392 . . . . 0.0 110.846 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 50.4 p -79.84 162.23 25.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.453 ' N ' ' HB2' ' A' ' 35' ' ' ALA . . . -55.48 -39.74 70.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.072 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.21 -49.99 72.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -61.16 -46.66 89.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.4 m -62.46 -53.51 53.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.9 tp -59.46 -50.03 75.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -53.91 -54.25 41.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.617 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 74.6 t60 -59.52 -53.7 55.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.553 ' CE1' HD23 ' A' ' 53' ' ' LEU . 31.7 t80 -43.44 -67.74 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.959 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -44.96 -49.19 11.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -52.46 -37.7 57.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.445 ' CD1' HD22 ' A' ' 21' ' ' LEU . 47.2 mt -61.79 -43.95 97.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.553 HD23 ' CE1' ' A' ' 49' ' ' TYR . 3.5 mm? -54.77 -52.16 63.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -65.78 -43.68 88.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -53.34 -48.92 68.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.16 -47.14 81.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.75 -45.24 49.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -56.63 -43.16 79.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.0 ttp85 -54.12 117.38 3.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -118.0 130.11 55.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.4 m -82.0 177.58 8.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.41 145.81 1.07 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.456 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 172.86 11.84 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.678 2.252 . . . . 0.0 112.407 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.2 t -134.31 125.98 28.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.4 m 52.95 42.1 32.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.504 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.0 p -50.01 -43.51 50.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.893 0.378 . . . . 0.0 110.831 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 m -159.4 136.08 9.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.72 155.48 27.95 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.3 t -64.73 -61.59 2.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.836 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -140.95 130.81 24.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.855 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.87 119.84 3.83 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -123.2 101.76 7.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -113.15 156.87 22.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.7 m -130.57 102.69 6.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -90.13 131.93 35.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.523 ' CE3' ' HB3' ' A' ' 16' ' ' GLU . 25.8 m95 -90.29 154.05 20.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.4 t -118.1 159.36 23.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.94 -44.34 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -61.95 -61.41 2.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.523 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 34.3 mt-10 -45.31 -40.11 7.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 20' ' ' LEU . 37.6 mt-10 -68.51 -66.45 0.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 17' ' ' GLU . 31.2 mm-40 -36.84 -55.58 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.892 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.465 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -61.52 -35.13 76.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 17' ' ' GLU . 40.5 tp -61.48 -52.48 64.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -55.75 -36.92 67.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.501 ' CD2' HD11 ' A' ' 26' ' ' LEU . 81.3 t60 -65.67 -56.34 12.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.437 HD11 ' CD1' ' A' ' 38' ' ' ILE . 5.2 mt -62.62 -60.34 3.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -38.07 -44.93 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.62 -42.92 67.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.501 HD11 ' CD2' ' A' ' 22' ' ' HIS . 9.3 mt -57.97 -54.03 51.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.452 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 30.5 mtm -134.74 86.84 32.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.545 0.688 . . . . 0.0 110.848 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -16.6 37.78 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.645 2.23 . . . . 0.0 112.391 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.428 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 69.3 p -113.58 28.32 8.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.452 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 94.9 mm-40 -135.06 39.96 2.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.553 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 76.2 m95 -54.95 -37.33 66.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -60.04 -21.37 61.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.418 ' C ' ' HD2' ' A' ' 36' ' ' PRO . 85.8 m -97.74 -37.32 9.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.454 ' CG2' HD12 ' A' ' 38' ' ' ILE . 43.6 mt -69.48 -24.26 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.503 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -61.42 -58.83 16.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.558 0.694 . . . . 0.0 111.059 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 53.8 Cg_endo -69.72 -13.69 35.14 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.385 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.412 HD13 ' CG2' ' A' ' 33' ' ' THR . 96.1 mt -89.65 -23.7 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.454 HD12 ' CG2' ' A' ' 34' ' ' ILE . 18.0 mt -103.69 -35.06 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.87 -30.58 4.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.5 179.74 5.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 110.903 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 82.1 p -88.06 156.84 19.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.469 ' N ' ' HB3' ' A' ' 35' ' ' ALA . . . -49.04 -43.3 40.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.059 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.05 -44.24 89.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -62.35 -45.24 94.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 95.3 m -62.91 -51.38 67.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.553 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 16.6 tp -61.97 -50.74 70.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -53.96 -54.12 43.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -61.48 -55.21 33.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.527 ' CE1' HD22 ' A' ' 53' ' ' LEU . 36.8 t80 -44.47 -67.01 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -44.44 -47.24 9.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -56.06 -36.93 68.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.4 ' CD1' HD23 ' A' ' 21' ' ' LEU . 20.7 mt -61.58 -49.51 76.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.527 HD22 ' CE1' ' A' ' 49' ' ' TYR . 3.7 mm? -48.26 -51.72 24.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -66.46 -45.46 79.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -52.86 -43.64 66.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.45 -40.12 81.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.07 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.88 -49.51 74.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -61.48 -44.42 97.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -42.54 124.26 2.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -50.98 142.96 11.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.9 t 51.9 42.26 30.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.95 145.33 46.05 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 148.93 66.01 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.664 2.243 . . . . 0.0 112.34 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.4 t 65.77 42.49 3.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.8 m -133.15 155.05 50.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.523 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m 48.76 42.1 19.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.882 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -110.81 83.72 1.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.03 -56.7 0.19 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t 51.7 42.19 29.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.947 0.404 . . . . 0.0 110.906 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 t -60.06 126.71 28.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.68 -92.87 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.446 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -151.25 153.8 35.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -150.53 116.75 5.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.4 m -59.7 115.5 3.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -120.03 139.59 52.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.573 ' CD2' ' CD2' ' A' ' 48' ' ' HIS . 26.1 m95 -78.81 175.23 10.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.5 t -130.59 172.11 12.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -62.22 -22.35 65.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -85.41 -48.54 8.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -54.07 -34.89 61.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 20' ' ' LEU . 54.1 mt-10 -66.05 -61.46 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 17' ' ' GLU . 20.8 mt-10 -35.35 -57.72 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.469 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 6.7 ptmt -61.8 -34.36 75.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 17' ' ' GLU . 35.4 tp -61.02 -52.28 65.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.516 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -55.78 -34.91 65.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.58 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 74.2 t60 -70.72 -62.54 1.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mt -53.79 -53.42 52.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.11 -47.69 8.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.072 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -68.38 -40.89 81.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.58 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 11.9 mt -58.47 -53.42 58.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.932 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.453 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 32.3 mtm -135.01 85.02 35.58 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.623 0.725 . . . . 0.0 110.842 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -6.22 18.09 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 55.6 p -125.34 27.56 6.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.453 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 96.9 mm-40 -134.97 38.15 3.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.505 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 77.9 m95 -52.0 -39.35 59.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -57.92 -20.05 34.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.402 ' C ' ' HD2' ' A' ' 36' ' ' PRO . 91.4 m -97.54 -35.59 10.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.5 mt -73.38 -21.09 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.519 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -61.03 -57.5 25.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.572 0.701 . . . . 0.0 111.142 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 53.2 Cg_endo -69.82 -13.28 34.31 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.653 2.235 . . . . 0.0 112.28 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.9 mt -87.65 -24.64 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.113 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.4 mt -103.51 -39.58 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 129.92 -30.33 3.56 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.507 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.71 -176.9 4.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 110.889 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.8 p -90.85 158.23 16.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.474 ' N ' ' HB1' ' A' ' 35' ' ' ALA . . . -48.06 -53.1 17.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.91 -45.5 71.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -61.81 -52.22 65.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.408 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 99.1 m -52.36 -46.32 66.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.505 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 28.8 tp -64.38 -51.34 63.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -55.14 -53.79 51.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.573 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 55.0 t60 -60.87 -53.14 60.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.495 ' CE1' HD22 ' A' ' 53' ' ' LEU . 31.8 t80 -46.89 -68.88 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -44.95 -48.57 11.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -50.6 -40.25 52.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.45 ' CD1' HD23 ' A' ' 21' ' ' LEU . 96.5 mt -60.7 -44.56 96.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.495 HD22 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -53.76 -51.39 63.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -68.93 -41.51 78.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -57.61 -33.9 68.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.49 -29.2 61.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.94 -49.17 12.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -62.78 -48.44 79.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -50.37 172.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.0 t70 64.28 41.75 5.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -140.75 156.31 46.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 177.19 175.17 44.25 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.445 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -48.96 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.638 2.225 . . . . 0.0 112.346 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.2 m -101.89 92.52 4.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.6 t -78.17 152.21 32.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.506 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 m -89.65 -59.26 2.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.85 0.357 . . . . 0.0 110.889 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -129.98 118.72 22.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.29 156.21 27.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 t -95.04 143.13 26.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 110.843 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.7 p -120.85 91.92 3.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.789 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.22 -137.23 13.23 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -62.71 125.09 22.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.91 0.386 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -88.54 114.72 25.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.9 m -82.64 40.67 0.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -57.21 150.16 18.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.695 ' CD2' ' CD2' ' A' ' 48' ' ' HIS . 28.4 m95 -89.91 -177.23 5.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 t -149.03 169.97 19.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.867 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -49.55 -42.09 43.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -66.08 -62.73 1.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -41.77 -41.47 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 20' ' ' LEU . 68.3 mt-10 -63.32 -63.34 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' GLU . 13.2 mt-10 -36.49 -59.87 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.47 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 6.2 ptmt -59.34 -32.92 70.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 17' ' ' GLU . 24.6 tp -62.7 -53.18 58.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.509 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -54.92 -34.07 62.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.468 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 77.3 t60 -71.47 -62.84 1.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.467 ' CD1' HG23 ' A' ' 37' ' ' ILE . 3.3 mt -56.35 -53.36 58.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.22 -47.93 12.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.39 -42.66 82.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.468 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 11.9 mt -55.92 -53.23 59.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.453 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 29.9 mtm -135.01 82.92 41.38 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.58 0.705 . . . . 0.0 110.905 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -2.07 9.51 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.419 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 49.9 p -127.18 23.38 6.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.453 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 78.7 mm-40 -130.26 36.88 3.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.496 ' CZ2' ' CD1' ' A' ' 46' ' ' LEU . 79.8 m95 -51.65 -38.15 53.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -63.94 -21.41 66.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.6 m -97.63 -35.12 10.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 94.6 mt -76.44 -25.01 16.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.527 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -52.84 -57.12 17.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.569 0.699 . . . . 0.0 111.056 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 54.0 Cg_endo -69.76 -8.56 23.91 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.691 2.26 . . . . 0.0 112.326 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.467 HG23 ' CD1' ' A' ' 23' ' ' LEU . 93.0 mt -92.76 -19.54 6.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.5 mt -110.39 -37.88 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.22 -26.42 5.82 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.21 174.43 7.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.4 p -83.06 148.6 27.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.466 ' HB1' ' CB ' ' A' ' 31' ' ' TRP . . . -41.6 -52.37 3.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.064 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.94 -42.65 90.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.103 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -62.63 -47.04 85.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.4 m -61.16 -44.79 96.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.496 ' CD1' ' CZ2' ' A' ' 31' ' ' TRP . 25.4 tp -67.28 -46.16 74.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.35 -50.88 69.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.695 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 28.7 t60 -65.33 -50.59 65.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.513 ' CE1' HD21 ' A' ' 53' ' ' LEU . 29.6 t80 -49.27 -67.21 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -45.26 -45.77 12.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -54.57 -39.74 68.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.404 ' CD1' HD23 ' A' ' 21' ' ' LEU . 78.9 mt -59.28 -45.43 91.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.513 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.2 mm? -52.75 -52.71 55.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -68.03 -41.73 81.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -52.59 -44.89 66.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.05 -44.01 51.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.074 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.33 -52.9 42.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -50.77 -46.71 59.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -54.87 132.25 46.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 59.67 43.52 15.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.0 t -104.52 114.5 28.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.6 175.33 50.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 147.29 62.44 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.304 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.3 m -115.68 -58.94 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.0 m -103.18 102.21 12.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.546 -0.222 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.6 p -67.9 89.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.919 0.39 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.5 m -59.77 102.76 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.822 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.46 -143.24 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 t -162.8 118.18 1.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.811 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.0 p -96.43 159.78 14.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.06 55.54 1.56 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -68.89 132.94 47.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -44.65 109.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 m 69.48 40.17 1.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -42.36 151.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.733 ' CD2' ' CD2' ' A' ' 48' ' ' HIS . 35.1 m95 -93.16 151.49 19.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.4 t -117.55 158.25 24.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -41.5 -37.78 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -65.52 -61.99 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.426 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 1.7 mp0 -49.22 -38.61 26.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 20' ' ' LEU . 53.3 mt-10 -68.81 -65.1 0.75 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' GLU . 5.0 mm-40 -36.58 -56.31 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -61.96 -36.82 82.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.468 HD21 ' CA ' ' A' ' 49' ' ' TYR . 41.6 tp -57.93 -53.18 61.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -54.3 -37.72 65.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.873 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.649 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 75.4 t60 -71.72 -60.69 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.45 HD12 ' CD1' ' A' ' 38' ' ' ILE . 4.0 mt -49.05 -52.41 25.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.48 -45.27 9.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -68.94 -42.59 76.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.649 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 8.9 mt -58.31 -55.36 35.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.448 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 26.9 mtm -134.98 85.51 34.56 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.515 0.674 . . . . 0.0 110.878 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -16.67 37.45 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.4 p -115.27 29.4 8.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.448 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 96.9 mm-40 -134.78 37.87 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -52.37 -37.67 56.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -60.4 -20.66 60.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.4 m -97.77 -39.0 9.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.44 ' CG2' HD13 ' A' ' 38' ' ' ILE . 74.5 mt -71.91 -21.56 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.139 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.509 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -62.22 -58.61 16.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.583 0.706 . . . . 0.0 111.154 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 53.8 Cg_endo -69.76 -16.67 37.67 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.736 2.291 . . . . 0.0 112.312 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.5 mt -85.57 -22.97 7.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.45 ' CD1' HD12 ' A' ' 23' ' ' LEU . 12.9 mt -102.35 -36.35 4.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.58 -29.41 4.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.42 ' NH1' ' HG2' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -92.82 173.14 7.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.926 0.393 . . . . 0.0 110.869 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 57.6 p -81.81 160.51 23.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.462 ' N ' ' HB3' ' A' ' 35' ' ' ALA . . . -48.03 -50.98 25.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.125 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.14 -40.46 93.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -63.8 -42.64 97.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 90.7 m -66.34 -47.3 73.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 18.6 tp -65.67 -47.79 74.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -61.87 -52.02 65.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.733 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 58.7 t60 -62.1 -49.9 74.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.564 ' CE1' HD22 ' A' ' 53' ' ' LEU . 22.3 t80 -45.47 -69.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -44.61 -50.55 9.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 51' ' ' PHE . 3.0 t80 -48.26 -41.55 28.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.72 -46.78 88.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.564 HD22 ' CE1' ' A' ' 49' ' ' TYR . 3.5 mm? -51.9 -55.54 19.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -60.5 -43.04 97.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.412 ' HA ' ' CD ' ' A' ' 58' ' ' GLN . 18.5 tttm -56.25 -42.04 76.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.23 -37.88 86.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.067 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.04 -48.71 56.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.412 ' CD ' ' HA ' ' A' ' 55' ' ' LYS . 4.8 pt20 -65.1 -46.36 81.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -62.89 125.41 23.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.78 -54.78 43.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.0 m -62.67 166.08 5.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.96 83.9 0.52 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 177.86 5.15 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.686 2.258 . . . . 0.0 112.356 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 77.7 p -91.02 121.21 32.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 81.9 p -62.5 90.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -134.47 167.46 20.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.342 . . . . 0.0 110.875 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.1 p -81.69 115.6 21.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.56 -118.65 1.52 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.8 p -73.16 109.05 6.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.914 0.388 . . . . 0.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.1 t -60.52 -59.73 4.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.95 -88.55 0.31 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.511 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.73 155.33 16.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -115.05 124.53 51.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.6 m -159.14 112.65 2.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -101.62 133.08 46.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.505 ' CD2' ' CD2' ' A' ' 48' ' ' HIS . 12.9 m95 -83.42 147.99 27.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.97 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -96.71 151.66 19.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.899 -179.839 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 13' ' ' SER . 47.9 ttt-85 -37.99 -42.1 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.62 -50.53 57.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.5 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 35.8 mt-10 -51.81 -38.19 54.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 20' ' ' LEU . 63.2 mt-10 -70.73 -63.76 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -39.31 -55.32 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.467 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 8.4 ptmt -59.32 -35.08 73.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.467 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 35.0 tp -63.18 -55.0 28.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.514 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -53.39 -35.0 59.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.595 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 74.5 t60 -70.55 -61.94 1.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mt -52.85 -52.14 58.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.86 -46.63 15.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.56 -40.94 80.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.595 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 10.1 mt -58.59 -53.47 57.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.448 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 33.3 mtm -135.02 83.09 40.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.597 0.713 . . . . 0.0 110.879 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 1.98 3.95 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.66 2.24 . . . . 0.0 112.309 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 78.5 p -131.34 22.1 4.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.148 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.448 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 87.8 mm-40 -130.0 37.81 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -51.39 -41.61 60.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -58.24 -20.66 43.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.412 ' C ' ' HD2' ' A' ' 36' ' ' PRO . 64.4 m -97.53 -36.23 10.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.413 ' CG2' HD13 ' A' ' 38' ' ' ILE . 96.9 mt -69.94 -20.91 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.157 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.485 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -61.65 -59.22 14.05 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.584 0.706 . . . . 0.0 111.084 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 53.2 Cg_endo -69.79 -13.93 35.28 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.671 2.247 . . . . 0.0 112.338 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 92.7 mt -88.7 -17.48 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.413 HD13 ' CG2' ' A' ' 34' ' ' ILE . 17.1 mt -109.53 -36.39 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.87 -27.51 5.4 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.503 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.77 178.3 5.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.896 0.379 . . . . 0.0 110.86 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.7 p -84.21 160.03 20.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.44 ' N ' ' HB1' ' A' ' 35' ' ' ALA . . . -50.66 -52.57 38.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.062 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.11 -35.19 69.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.087 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -64.58 -53.29 50.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 93.7 m -55.2 -49.75 71.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 42.5 tp -63.35 -47.9 80.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -57.59 -58.5 8.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.505 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 60.8 t60 -59.3 -53.72 55.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.495 ' CE1' HD21 ' A' ' 53' ' ' LEU . 36.9 t80 -45.5 -67.44 0.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -44.03 -46.52 8.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -56.97 -36.21 70.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.432 ' CD1' HD22 ' A' ' 21' ' ' LEU . 23.5 mt -62.77 -46.34 88.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.495 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -51.95 -56.45 14.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -64.81 -42.22 95.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -53.41 -52.12 60.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.12 -53.09 8.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.06 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.3 -41.51 28.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 59' ' ' ARG . 81.0 mm-40 -52.76 -36.92 58.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 58' ' ' GLN . 8.8 ptm180 -34.55 138.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.4 p-10 -105.27 41.02 1.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.3 t -58.03 92.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -111.51 153.86 17.03 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.557 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -18.01 37.26 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.695 2.264 . . . . 0.0 112.363 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.5 p -148.6 122.51 9.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.9 p -172.1 165.94 6.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.457 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -115.1 157.18 23.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.4 m -117.72 116.19 26.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.82 176.95 17.15 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.8 p -164.85 145.18 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.891 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -85.85 -46.19 10.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.61 164.27 29.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -92.88 93.53 8.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.362 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.82 150.64 2.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.5 t -80.09 134.81 36.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -73.82 134.17 43.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.498 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 17.2 m95 -94.12 168.49 10.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 t -119.81 153.92 35.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -46.84 -20.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -85.94 -47.73 9.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.455 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 2.6 mm-40 -55.62 -31.83 62.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 20' ' ' LEU . 53.6 mt-10 -68.63 -66.18 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' GLU . 6.6 mm-40 -35.89 -56.22 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -62.85 -36.33 82.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 17' ' ' GLU . 42.1 tp -58.13 -53.62 56.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.515 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -53.52 -39.05 64.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.871 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.606 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 65.3 t60 -66.68 -61.58 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mt -53.51 -60.39 3.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -36.73 -47.8 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -66.94 -49.69 64.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.606 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 9.6 mt -50.51 -55.65 15.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.448 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 26.0 mtm -135.04 87.18 30.01 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.601 0.715 . . . . 0.0 110.857 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.416 ' O ' ' NE1' ' A' ' 31' ' ' TRP . 53.5 Cg_endo -69.85 -28.62 24.59 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.309 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.8 p -101.55 27.56 6.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.448 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 94.0 mm-40 -133.37 37.77 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.432 ' CZ2' HD11 ' A' ' 46' ' ' LEU . 78.9 m95 -53.67 -34.31 58.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -63.3 -19.7 64.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.461 HG21 ' CD1' ' A' ' 37' ' ' ILE . 78.8 m -97.59 -38.16 9.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.147 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.445 ' CG2' HD13 ' A' ' 38' ' ' ILE . 82.0 mt -72.24 -24.67 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.488 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -61.32 -59.09 14.69 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.559 0.695 . . . . 0.0 111.116 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 53.3 Cg_endo -69.78 -13.9 35.27 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.75 2.3 . . . . 0.0 112.309 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.461 ' CD1' HG21 ' A' ' 33' ' ' THR . 82.2 mt -88.9 -16.65 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.445 HD13 ' CG2' ' A' ' 34' ' ' ILE . 19.1 mt -110.67 -37.9 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.63 -27.91 4.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.517 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.68 178.62 6.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 110.848 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 47.8 p -90.26 151.33 21.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.46 ' N ' ' HB2' ' A' ' 35' ' ' ALA . . . -42.36 -50.86 5.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.32 -43.54 98.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -60.96 -44.59 97.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.498 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 90.3 m -62.81 -52.38 63.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.432 HD11 ' CZ2' ' A' ' 31' ' ' TRP . 20.5 tp -62.03 -41.36 98.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -61.67 -55.56 29.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 38.5 t60 -59.97 -53.71 54.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE1' HD22 ' A' ' 53' ' ' LEU . 38.5 t80 -44.85 -69.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -44.14 -45.57 8.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -57.64 -40.24 78.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.5 mt -58.21 -48.94 78.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.565 HD22 ' CE1' ' A' ' 49' ' ' TYR . 3.7 mm? -48.12 -52.59 19.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -64.03 -48.12 77.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -51.24 -43.22 61.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.51 -41.88 88.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.76 -49.54 74.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 59' ' ' ARG . 7.4 pt20 -63.46 -42.7 98.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 58' ' ' GLN . 23.5 ttt180 -38.19 143.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 61' ' ' SER . 11.1 m-20 -60.19 170.85 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 60' ' ' ASP . 78.6 p 34.68 44.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.82 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -99.77 146.19 17.76 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.521 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -0.4 6.81 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.706 2.27 . . . . 0.0 112.343 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 86.5 p -42.2 152.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -157.82 169.65 24.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.956 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 t -77.55 -50.99 11.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.88 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -42.4 145.64 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.1 69.69 1.37 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -120.57 103.11 8.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.9 0.381 . . . . 0.0 110.844 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.1 p -92.89 86.97 5.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.22 -157.21 28.4 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -127.42 105.74 8.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -135.28 114.81 12.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.4 t -125.65 124.25 40.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -91.85 125.74 36.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.459 ' CE3' ' HB3' ' A' ' 16' ' ' GLU . 17.4 m95 -93.24 167.09 11.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 14' ' ' ARG . 6.7 t -128.82 154.22 46.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -35.39 -43.32 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -61.83 -63.31 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.459 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 2.4 mp0 -46.51 -38.42 9.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 20' ' ' LEU . 52.8 mt-10 -67.55 -64.68 0.81 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 17' ' ' GLU . 39.8 mm-40 -37.05 -57.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 4.5 ptmt -60.33 -34.67 74.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.466 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 32.6 tp -62.02 -53.86 49.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -54.03 -36.79 63.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.866 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.482 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 81.9 t60 -67.83 -59.79 3.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mt -59.18 -56.9 16.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -41.48 -47.79 3.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.087 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -38.77 80.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.482 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 13.3 mt -60.2 -53.79 53.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.455 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 35.1 mtm -134.96 89.38 24.56 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.575 0.702 . . . . 0.0 110.866 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -23.45 30.45 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.338 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.412 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 61.2 p -107.79 30.14 6.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.455 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 92.8 mm-40 -135.0 39.56 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.567 ' CZ2' HD12 ' A' ' 46' ' ' LEU . 76.8 m95 -57.16 -36.63 71.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.7 mtm105 -64.71 -18.61 65.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.2 m -97.66 -37.03 10.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.8 mt -72.67 -33.2 43.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.5 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -49.43 -58.67 8.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.576 0.703 . . . . 0.0 111.153 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 53.3 Cg_endo -69.8 -12.17 32.29 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 90.3 mt -91.61 -15.35 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.6 mt -113.55 -34.3 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.96 -35.34 2.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.81 178.56 6.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.912 0.386 . . . . 0.0 110.834 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 27.8 p -89.82 161.11 16.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.472 ' N ' ' HB1' ' A' ' 35' ' ' ALA . . . -48.98 -51.6 29.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.01 -49.76 72.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -58.69 -48.89 79.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 85.1 m -59.43 -56.4 22.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.567 HD12 ' CZ2' ' A' ' 31' ' ' TRP . 22.7 tp -58.55 -39.85 81.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -61.68 -50.46 72.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -66.83 -56.26 11.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.559 ' CE1' HD23 ' A' ' 53' ' ' LEU . 28.5 t80 -43.83 -63.03 0.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -47.23 -48.58 24.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -52.62 -39.02 61.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.434 ' CD1' HD23 ' A' ' 21' ' ' LEU . 17.9 mt -60.31 -50.16 74.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.559 HD23 ' CE1' ' A' ' 49' ' ' TYR . 3.7 mm? -47.55 -52.64 16.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -64.88 -47.25 78.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -51.95 -42.83 63.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.61 -38.81 69.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.84 -33.87 64.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -70.53 -48.32 56.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -60.76 140.89 57.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -47.05 144.77 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.2 p -116.81 121.86 42.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.13 -89.74 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.528 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 89.0 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.679 2.253 . . . . 0.0 112.381 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.1 m -77.72 98.93 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.6 m -64.49 124.23 21.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.559 -179.931 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 p -60.83 146.26 46.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.923 0.392 . . . . 0.0 110.865 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.7 m -40.88 -60.21 1.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.48 -77.65 0.39 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -164.91 151.8 10.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.88 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 7' ' ' GLY . 47.5 m -96.16 127.05 41.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.87 -136.05 0.49 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -78.37 167.91 20.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -122.44 130.02 52.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.3 t -159.22 137.49 10.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -103.5 128.97 50.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.631 ' CD2' ' CD2' ' A' ' 48' ' ' HIS . 39.2 m95 -92.4 152.33 19.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.463 ' O ' ' C ' ' A' ' 14' ' ' ARG . 3.4 t -115.16 148.51 38.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 13' ' ' SER . 3.0 tpm_? -33.45 -44.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -63.57 -60.82 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.75 -38.12 3.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' LEU . 43.3 mt-10 -66.92 -62.35 1.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' GLU . 58.5 mt-10 -37.43 -58.09 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.467 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 7.1 ptmt -58.51 -35.78 72.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.467 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 31.3 tp -61.2 -53.41 57.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -55.94 -35.34 66.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.539 ' CD2' HD11 ' A' ' 26' ' ' LEU . 74.8 t60 -69.66 -62.51 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mt -58.3 -54.49 46.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.5 -46.62 6.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -70.17 -43.18 71.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.539 HD11 ' CD2' ' A' ' 22' ' ' HIS . 11.0 mt -55.76 -55.87 27.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.456 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 19.6 mtm -135.05 89.57 23.73 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.606 0.717 . . . . 0.0 110.872 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.442 ' O ' ' NE1' ' A' ' 31' ' ' TRP . 53.3 Cg_endo -69.77 -42.8 3.08 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.685 2.256 . . . . 0.0 112.312 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.0 p -87.02 23.16 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.199 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.456 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 86.3 mm-40 -130.21 38.59 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.559 ' CZ2' HD11 ' A' ' 46' ' ' LEU . 79.6 m95 -54.39 -34.0 60.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -60.08 -19.73 54.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 51.6 m -97.6 -38.62 9.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.2 mt -72.66 -20.05 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.514 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -64.95 -57.92 14.4 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.608 0.718 . . . . 0.0 111.123 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 53.5 Cg_endo -69.84 -14.87 36.41 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.695 2.263 . . . . 0.0 112.299 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 81.8 mt -86.03 -23.88 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.2 mt -102.62 -40.01 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 128.56 -25.71 4.72 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.456 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.572 ' HD3' ' CZ2' ' A' ' 12' ' ' TRP . 57.0 mtt85 -98.2 178.24 5.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.891 0.377 . . . . 0.0 110.847 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.1 p -82.92 158.33 22.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.123 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.466 ' N ' ' HB3' ' A' ' 35' ' ' ALA . . . -53.85 -50.06 67.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.057 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.81 -45.33 74.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -63.5 -54.02 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 87.8 m -52.95 -45.89 67.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.559 HD11 ' CZ2' ' A' ' 31' ' ' TRP . 15.3 tp -63.61 -49.22 74.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -54.53 -59.39 4.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.631 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 53.5 t60 -57.93 -47.53 82.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.534 ' CE1' HD22 ' A' ' 53' ' ' LEU . 30.6 t80 -47.59 -71.68 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -43.53 -41.78 4.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.453 ' CD1' ' C ' ' A' ' 51' ' ' PHE . 0.3 OUTLIER -58.73 -38.74 79.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.71 -42.47 98.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.534 HD22 ' CE1' ' A' ' 49' ' ' TYR . 3.0 mm? -56.87 -53.13 61.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -68.13 -40.56 82.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -50.96 -44.05 60.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.09 -40.45 74.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.065 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.98 -46.89 87.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.08 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' A' ' 59' ' ' ARG . 5.8 pt20 -63.76 -45.81 88.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.443 ' N ' ' HG3' ' A' ' 58' ' ' GLN . 43.8 ttt180 -69.98 111.4 5.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -83.22 42.28 0.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.8 t -73.9 140.02 45.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.89 137.82 22.82 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 96.34 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.331 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.6 p -134.31 83.36 2.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.4 m -118.94 145.56 45.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.6 p -69.95 176.9 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.852 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.1 p -76.52 -56.85 4.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.02 93.9 0.96 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -70.18 86.48 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.929 0.395 . . . . 0.0 110.84 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -60.73 -46.1 91.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.8 80.96 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -104.62 41.47 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.424 ' HA ' ' NZ ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -165.27 130.3 2.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.459 HG21 ' CZ ' ' A' ' 40' ' ' ARG . 21.6 m -48.58 103.99 0.05 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -98.67 141.61 31.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.751 ' CD2' ' CD2' ' A' ' 48' ' ' HIS . 51.1 m95 -79.19 137.3 37.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 15' ' ' GLU . 1.4 t -102.18 149.52 24.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 13' ' ' SER . 17.9 tpt180 -34.07 -35.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 13' ' ' SER . 38.3 mt-10 -74.94 -66.7 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' GLU . 9.6 mm-40 -34.75 -40.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' LEU . 86.9 mt-10 -65.55 -61.08 2.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' GLU . 51.7 mt-10 -36.93 -57.4 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.471 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 6.8 ptmt -61.16 -32.41 72.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.553 HD21 ' CH2' ' A' ' 12' ' ' TRP . 30.1 tp -64.12 -53.07 55.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -55.72 -34.35 65.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.555 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 75.4 t60 -71.49 -61.92 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.8 mt -55.59 -54.03 49.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.67 -44.14 8.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -71.23 -40.38 71.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.555 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 10.4 mt -60.8 -55.78 29.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.454 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 22.2 mtm -135.05 86.23 32.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.554 0.692 . . . . 0.0 110.833 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.464 ' O ' ' NE1' ' A' ' 31' ' ' TRP . 53.8 Cg_endo -69.81 -24.79 29.05 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.323 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.429 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 58.7 p -105.17 27.4 8.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.454 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 89.4 mm-40 -134.91 36.7 3.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.475 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 74.1 m95 -52.26 -39.8 60.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -58.16 -18.81 28.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.424 ' C ' ' HD2' ' A' ' 36' ' ' PRO . 91.2 m -97.63 -35.5 10.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 76.2 mt -75.84 -15.69 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.159 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.567 ' N ' ' HD2' ' A' ' 36' ' ' PRO . . . -64.18 -55.55 30.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.535 0.683 . . . . 0.0 111.092 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.567 ' HD2' ' N ' ' A' ' 35' ' ' ALA . 53.8 Cg_endo -69.73 -10.75 29.34 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 80.1 mt -90.76 -31.37 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.9 mt -96.94 -36.63 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.29 -15.65 10.01 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.514 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.545 ' NH1' ' NE1' ' A' ' 12' ' ' TRP . 12.6 mtp180 -102.84 178.11 4.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.92 0.391 . . . . 0.0 110.861 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 p -89.87 150.27 22.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -41.96 -44.71 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.14 -46.81 72.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.403 ' N ' ' CD ' ' A' ' 44' ' ' GLN . 5.8 mm-40 -66.28 -60.09 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 92.9 m -43.92 -40.26 4.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.475 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 52.6 tp -75.61 -50.38 15.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -52.23 -61.58 2.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.751 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 47.2 t60 -54.53 -55.76 25.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.534 ' CE1' HD23 ' A' ' 53' ' ' LEU . 45.8 t80 -41.78 -69.96 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -44.93 -46.22 10.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -56.7 -34.67 67.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.411 ' CD1' HD23 ' A' ' 21' ' ' LEU . 28.1 mt -65.54 -50.6 64.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.534 HD23 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -47.7 -53.32 15.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -67.49 -42.1 83.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -57.28 -37.4 72.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.2 -34.94 63.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.05 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.0 -42.82 72.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -68.2 -49.6 59.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -59.54 125.99 25.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.443 ' OD1' ' C ' ' A' ' 60' ' ' ASP . 37.6 t0 -65.89 -52.79 47.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 t -40.95 110.34 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -159.9 -94.44 0.1 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.464 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -4.37 13.91 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.665 2.244 . . . . 0.0 112.345 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.7 t -60.38 132.06 52.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.9 t -91.76 82.84 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.443 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.849 0.357 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -56.34 -34.88 67.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 20' ' ' LEU . 26.9 mt-10 -70.07 -64.92 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 17' ' ' GLU . 7.5 mm-40 -37.37 -54.93 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.676 ' HD3' HG23 ' A' ' 38' ' ' ILE . 1.3 ptmt -62.47 -34.58 77.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.478 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 27.2 tp -61.39 -52.55 64.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.966 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.737 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -55.82 -35.78 66.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.914 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.803 ' CE1' HD11 ' A' ' 26' ' ' LEU . 48.8 t-80 -68.6 -58.54 4.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.828 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.73 ' HA ' HD12 ' A' ' 26' ' ' LEU . 4.3 mt -58.07 -58.71 7.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -40.35 -46.76 2.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -68.32 -42.41 79.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.803 HD11 ' CE1' ' A' ' 22' ' ' HIS . 9.4 mt -58.11 -54.49 46.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.445 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 30.1 mtm -135.0 82.94 41.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.579 0.704 . . . . 0.0 110.913 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -7.19 20.44 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.728 2.286 . . . . 0.0 112.298 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.0 p -119.23 18.7 12.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.445 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 29.2 mm100 -127.44 37.56 4.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -52.7 -36.99 58.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -60.35 -21.58 62.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.738 HG22 ' CD1' ' A' ' 37' ' ' ILE . 99.9 m -97.68 -39.43 9.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.179 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.712 HG23 HD13 ' A' ' 23' ' ' LEU . 70.7 mt -67.25 -31.83 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.196 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.769 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -53.19 -59.43 9.18 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.574 0.702 . . . . 0.0 111.128 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.769 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 54.0 Cg_endo -69.75 -14.52 36.22 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.637 2.225 . . . . 0.0 112.387 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.738 ' CD1' HG22 ' A' ' 33' ' ' THR . 81.7 mt -88.45 -17.05 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.676 HG23 ' HD3' ' A' ' 19' ' ' LYS . 18.3 mt -110.45 -35.89 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.169 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.54 -31.91 3.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.509 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -90.74 169.87 10.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.856 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.9 p -79.22 162.7 25.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.23 -51.09 57.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.9 -44.14 94.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -61.89 -44.75 96.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.0 m -62.0 -53.31 57.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.3 tp -61.66 -49.49 76.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -54.64 -52.4 62.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -62.86 -52.22 63.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.642 ' CE1' HD21 ' A' ' 53' ' ' LEU . 29.6 t80 -47.59 -66.3 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.931 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -45.37 -46.08 12.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.404 ' CE2' ' HD3' ' A' ' 55' ' ' LYS . 11.7 t80 -54.77 -39.5 68.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.737 HD13 HD21 ' A' ' 21' ' ' LEU . 28.9 mt -60.5 -51.08 70.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.642 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.7 mm? -46.12 -52.0 12.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -65.6 -46.26 80.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.808 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.404 ' HD3' ' CE2' ' A' ' 51' ' ' PHE . 23.4 ttpp -53.29 -43.64 67.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 179.889 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -53.9 -36.17 62.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 20' ' ' LEU . 51.5 mt-10 -70.98 -66.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 17' ' ' GLU . 12.4 mm-40 -37.72 -55.35 1.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.489 ' HD3' HG23 ' A' ' 38' ' ' ILE . 2.0 ptmt -60.23 -36.21 77.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.949 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.48 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 25.9 tp -60.77 -53.04 62.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.837 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -55.75 -35.02 65.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.836 ' CE1' HD11 ' A' ' 26' ' ' LEU . 46.1 t-80 -69.74 -63.86 0.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.806 HD22 HG12 ' A' ' 34' ' ' ILE . 3.4 mt -54.48 -54.99 33.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.15 -45.06 8.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.55 -38.92 70.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.836 HD11 ' CE1' ' A' ' 22' ' ' HIS . 12.5 mt -60.41 -54.3 47.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.45 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 24.1 mtm -135.03 83.25 40.36 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.625 0.726 . . . . 0.0 110.857 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -8.95 24.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.713 2.276 . . . . 0.0 112.341 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.5 p -118.38 20.14 13.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.45 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 28.1 mm100 -131.0 39.91 3.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -52.89 -37.76 60.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -59.37 -18.63 40.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.449 HG22 ' CD1' ' A' ' 37' ' ' ILE . 58.4 m -97.6 -33.88 11.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.806 HG12 HD22 ' A' ' 23' ' ' LEU . 99.2 mt -75.49 -27.93 19.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.751 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -56.24 -58.86 14.03 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.548 0.69 . . . . 0.0 111.056 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.751 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 54.2 Cg_endo -69.68 -11.67 31.44 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.449 ' CD1' HG22 ' A' ' 33' ' ' THR . 89.2 mt -91.85 -17.88 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.489 HG23 ' HD3' ' A' ' 19' ' ' LYS . 21.2 mt -110.72 -32.09 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.1 -27.49 6.71 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.45 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.71 174.94 7.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.364 . . . . 0.0 110.875 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 37.1 p -86.8 155.76 20.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.25 -52.55 12.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.077 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.89 -41.6 58.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -64.01 -60.57 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.5 m -44.66 -47.43 10.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 53.6 tp -64.24 -53.67 45.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -53.25 -61.0 2.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -56.27 -53.47 56.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.715 ' HA ' HD12 ' A' ' 52' ' ' LEU . 30.4 t80 -45.45 -69.02 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -44.91 -45.52 10.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.564 ' CE2' ' HD3' ' A' ' 55' ' ' LYS . 11.6 t80 -56.07 -33.13 64.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.837 HD13 HD21 ' A' ' 21' ' ' LEU . 26.1 mt -67.33 -40.57 85.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.559 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.3 mm? -59.45 -50.3 74.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -70.15 -39.29 75.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.564 ' HD3' ' CE2' ' A' ' 51' ' ' PHE . 36.5 ttpt -54.66 -48.75 71.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.108 179.834 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.78 0.324 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -48.5 -35.9 14.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 20' ' ' LEU . 39.0 mt-10 -70.32 -65.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -38.61 -55.55 1.42 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.668 ' HD3' HG23 ' A' ' 38' ' ' ILE . 8.4 ptmt -59.46 -34.88 73.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.488 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 34.9 tp -63.02 -55.14 28.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.966 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.513 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -52.82 -35.28 56.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.787 ' CE1' HD11 ' A' ' 26' ' ' LEU . 51.1 t-80 -69.72 -61.63 1.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.834 HD13 HG23 ' A' ' 34' ' ' ILE . 3.9 mt -53.02 -59.95 3.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 23' ' ' LEU . . . -35.79 -48.18 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.2 ttmt -66.81 -49.58 65.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.787 HD11 ' CE1' ' A' ' 22' ' ' HIS . 9.1 mt -50.72 -55.11 18.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.449 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 24.7 mtm -135.0 84.23 37.86 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.603 0.716 . . . . 0.0 110.905 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -11.54 31.08 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.673 2.249 . . . . 0.0 112.319 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.9 p -118.56 27.22 9.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.108 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.449 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 28.3 mm100 -134.72 36.13 3.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.403 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 76.7 m95 -51.87 -41.75 62.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -61.69 -17.73 56.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.6 m -97.58 -33.68 11.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.148 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.834 HG23 HD13 ' A' ' 23' ' ' LEU . 89.4 mt -76.74 -28.99 17.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.727 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -47.85 -58.27 8.15 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 0.0 111.116 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.727 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.4 Cg_endo -69.77 -11.14 30.22 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.357 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 34' ' ' ILE . 90.7 mt -91.67 -17.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.668 HG23 ' HD3' ' A' ' 19' ' ' LYS . 18.3 mt -110.56 -34.05 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.68 -27.64 6.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.521 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.6 176.8 6.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.912 0.387 . . . . 0.0 110.867 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.3 p -85.49 153.42 22.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.65 -47.33 20.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.16 -52.31 65.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.068 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -59.47 -42.77 92.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 70.8 m -61.7 -51.47 68.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.403 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 23.4 tp -62.7 -47.95 81.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -60.12 -51.22 70.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -61.95 -51.02 69.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE1' HD21 ' A' ' 53' ' ' LEU . 28.1 t80 -47.08 -69.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -46.1 -45.45 16.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.512 ' CE2' ' HD3' ' A' ' 55' ' ' LYS . 32.7 t80 -54.28 -40.28 67.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.493 ' CD1' HD21 ' A' ' 21' ' ' LEU . 90.6 mt -60.37 -47.69 84.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.565 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -49.42 -53.68 21.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.94 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -67.88 -46.26 72.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.512 ' HD3' ' CE2' ' A' ' 51' ' ' PHE . 38.9 ttpt -49.85 -42.8 48.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.797 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.815 0.34 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.414 ' HG3' ' NH1' ' A' ' 40' ' ' ARG . 1.3 mm-40 -45.63 -35.95 4.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.939 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 20' ' ' LEU . 48.2 mt-10 -65.39 -63.91 0.99 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' GLU . 15.2 mt-10 -36.16 -57.01 0.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.484 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 7.1 ptmt -63.31 -33.08 74.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 17' ' ' GLU . 34.5 tp -61.3 -53.72 53.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.592 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -53.58 -37.65 63.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.859 ' CE1' HD11 ' A' ' 26' ' ' LEU . 50.9 t-80 -68.89 -59.73 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.767 ' HA ' HD12 ' A' ' 26' ' ' LEU . 3.3 mt -56.35 -56.32 22.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -42.68 -46.09 4.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.068 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.77 -42.95 73.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.859 HD11 ' CE1' ' A' ' 22' ' ' HIS . 11.4 mt -55.05 -54.54 41.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.446 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 26.5 mtm -135.0 84.33 37.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.554 0.693 . . . . 0.0 110.874 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -8.87 24.69 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.324 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.5 p -121.38 27.01 8.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.446 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 27.5 mm100 -134.87 38.34 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.599 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 75.1 m95 -54.44 -32.72 58.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -64.85 -20.6 66.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.46 HG22 ' CD1' ' A' ' 37' ' ' ILE . 62.1 m -97.73 -38.84 9.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.563 HG23 HD13 ' A' ' 23' ' ' LEU . 74.6 mt -72.42 -29.41 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.752 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -53.44 -58.66 11.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.597 0.713 . . . . 0.0 111.099 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.752 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.4 Cg_endo -69.75 -12.9 33.85 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.689 2.259 . . . . 0.0 112.314 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.46 ' CD1' HG22 ' A' ' 33' ' ' THR . 84.4 mt -88.49 -16.31 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.7 mt -111.73 -39.39 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 130.3 -29.75 3.6 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.414 ' NH1' ' HG3' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -88.64 -175.93 5.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.376 . . . . 0.0 110.859 -179.858 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.6 p -97.64 153.41 18.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -39.49 -57.7 1.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.056 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.17 -45.19 53.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.056 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.41 ' OE1' ' CG ' ' A' ' 40' ' ' ARG . 88.8 mt-30 -62.36 -49.41 75.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 92.2 m -56.16 -54.01 50.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.813 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.599 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 28.8 tp -61.23 -55.81 27.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -51.35 -58.41 6.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -55.74 -54.05 49.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.572 ' CE1' HD21 ' A' ' 53' ' ' LEU . 33.4 t80 -46.63 -71.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -43.52 -46.06 6.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -54.96 -42.06 71.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.592 HD13 HD21 ' A' ' 21' ' ' LEU . 96.0 mt -57.94 -48.67 79.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.572 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.7 mm? -49.56 -53.28 24.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -64.92 -47.84 76.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -47.99 -43.4 29.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.053 179.876 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.846 0.355 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -47.45 -37.84 12.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 20' ' ' LEU . 62.0 mt-10 -68.94 -64.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 17' ' ' GLU . 7.8 mm-40 -36.32 -56.03 0.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.648 ' HD3' HG23 ' A' ' 38' ' ' ILE . 8.1 ptmt -61.17 -34.78 75.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 17' ' ' GLU . 38.3 tp -62.07 -51.13 69.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.782 HD21 HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -57.86 -34.2 69.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.862 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.85 ' CE1' HD11 ' A' ' 26' ' ' LEU . 49.8 t-80 -68.28 -58.95 3.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.863 HD13 HG23 ' A' ' 34' ' ' ILE . 3.8 mt -55.88 -61.93 2.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 23' ' ' LEU . . . -35.08 -49.02 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -40.34 87.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.85 HD11 ' CE1' ' A' ' 22' ' ' HIS . 9.9 mt -61.84 -53.94 48.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.449 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 31.0 mtm -135.0 85.82 33.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 110.897 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -12.52 32.89 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.254 . . . . 0.0 112.293 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 64.9 p -118.98 30.04 7.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.449 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 28.6 mm100 -135.01 35.67 3.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -51.32 -40.37 58.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.87 -21.21 56.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.48 HG22 ' CD1' ' A' ' 37' ' ' ILE . 90.9 m -97.18 -37.16 10.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.863 HG23 HD13 ' A' ' 23' ' ' LEU . 94.2 mt -68.21 -30.2 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.755 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -52.74 -59.28 9.16 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.634 0.73 . . . . 0.0 111.103 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.755 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 54.0 Cg_endo -69.71 -10.86 29.65 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.722 2.281 . . . . 0.0 112.358 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.48 ' CD1' HG22 ' A' ' 33' ' ' THR . 95.3 mt -91.42 -17.77 7.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.648 HG23 ' HD3' ' A' ' 19' ' ' LYS . 14.3 mt -111.33 -37.51 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.05 -29.33 4.39 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -89.51 176.08 7.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 110.879 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.1 p -83.62 159.03 21.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.63 -39.8 58.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.81 -40.95 68.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -64.1 -48.35 76.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 85.1 m -59.64 -49.63 77.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.421 HD11 ' OE2' ' A' ' 50' ' ' GLU . 20.9 tp -63.2 -42.41 99.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -60.87 -55.66 30.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -60.04 -50.66 72.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.699 ' HA ' HD12 ' A' ' 52' ' ' LEU . 34.2 t80 -47.92 -69.0 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.421 ' OE2' HD11 ' A' ' 46' ' ' LEU . 13.8 mt-10 -41.42 -44.36 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -60.18 -36.57 77.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.782 HD13 HD21 ' A' ' 21' ' ' LEU . 47.4 mt -61.25 -43.68 98.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.636 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -54.59 -52.36 62.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -68.57 -42.33 78.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -54.7 -43.2 72.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.063 179.871 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.787 0.327 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -49.11 -34.77 14.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.428 ' O ' HD23 ' A' ' 21' ' ' LEU . 56.9 mt-10 -69.44 -63.95 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 17' ' ' GLU . 5.8 mm-40 -38.44 -57.44 1.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 1.6 ptmt -58.48 -36.0 73.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.48 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 27.4 tp -61.25 -56.62 18.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.533 HD23 ' H ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -51.06 -37.36 45.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.85 ' CE1' HD11 ' A' ' 26' ' ' LEU . 49.9 t-80 -67.6 -62.61 1.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.78 HD22 HG12 ' A' ' 34' ' ' ILE . 2.9 mt -53.99 -57.95 9.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -39.18 -45.27 1.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -70.68 -42.47 70.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.85 HD11 ' CE1' ' A' ' 22' ' ' HIS . 10.1 mt -58.77 -56.12 26.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.449 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 15.9 mtm -135.01 86.97 30.73 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.547 0.689 . . . . 0.0 110.896 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.472 ' O ' ' NE1' ' A' ' 31' ' ' TRP . 53.5 Cg_endo -69.75 -37.66 8.9 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.8 p -92.42 24.28 3.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.449 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 30.7 mm100 -131.73 39.49 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.683 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 77.8 m95 -54.65 -38.35 66.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -58.84 -18.78 35.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.461 HG22 ' CD1' ' A' ' 37' ' ' ILE . 49.9 m -97.35 -35.46 10.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.78 HG12 HD22 ' A' ' 23' ' ' LEU . 85.4 mt -74.7 -20.94 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.752 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -63.06 -58.64 15.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.539 0.685 . . . . 0.0 111.079 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.752 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 54.1 Cg_endo -69.75 -11.94 31.89 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.461 ' CD1' HG22 ' A' ' 33' ' ' THR . 95.3 mt -90.68 -20.64 6.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.8 mt -107.01 -36.62 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.51 -25.37 6.6 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -91.2 176.77 6.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 110.882 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 80.9 p -88.27 146.56 25.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -38.22 -52.05 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.52 -44.64 85.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -62.62 -46.47 88.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 94.9 m -60.68 -52.82 63.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.683 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 21.8 tp -62.16 -48.67 79.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -56.71 -54.27 48.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -60.16 -50.11 74.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.588 ' CE1' HD21 ' A' ' 53' ' ' LEU . 35.1 t80 -48.5 -70.71 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -42.18 -44.88 3.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -57.17 -40.14 76.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.8 mt -59.23 -44.59 92.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.588 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -52.73 -52.42 56.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -67.16 -45.4 77.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -51.71 -37.52 51.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.815 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.833 0.349 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -45.33 -38.48 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.428 ' O ' HD23 ' A' ' 21' ' ' LEU . 47.0 mt-10 -70.3 -64.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -39.3 -55.1 1.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.477 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 5.5 ptmt -60.49 -34.4 74.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.665 HD23 HD11 ' A' ' 52' ' ' LEU . 29.5 tp -62.9 -55.15 28.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.923 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -53.03 -38.09 62.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.813 ' CE1' HD11 ' A' ' 26' ' ' LEU . 53.1 t-80 -66.53 -58.54 4.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.804 ' HA ' HD12 ' A' ' 26' ' ' LEU . 3.4 mt -54.63 -63.03 1.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 23' ' ' LEU . . . -34.91 -48.71 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -65.76 -43.04 90.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.813 HD11 ' CE1' ' A' ' 22' ' ' HIS . 9.6 mt -58.38 -53.4 58.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.452 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 25.9 mtm -134.98 82.76 42.01 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.565 0.698 . . . . 0.0 110.897 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -0.98 7.73 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.351 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.5 p -130.07 26.48 5.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.452 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 26.1 mm100 -133.54 37.49 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 76.7 m95 -51.88 -41.49 61.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -59.29 -18.65 39.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.409 ' C ' ' HD2' ' A' ' 36' ' ' PRO . 25.0 m -97.6 -38.06 9.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.792 HG23 HD13 ' A' ' 23' ' ' LEU . 66.8 mt -70.53 -28.14 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.731 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -53.77 -58.25 14.0 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 111.143 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.731 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.4 Cg_endo -69.77 -11.14 30.22 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.687 2.258 . . . . 0.0 112.322 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 94.0 mt -91.72 -17.58 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.4 mt -110.92 -33.5 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.74 -30.06 5.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.93 178.69 6.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 65.7 p -90.53 154.9 19.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.42 -42.21 6.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.06 -55.03 29.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.073 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -55.45 -42.1 73.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 92.2 m -63.43 -50.73 68.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.5 tp -61.95 -56.36 19.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -50.11 -53.25 28.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -60.32 -55.32 35.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.892 ' HA ' HD12 ' A' ' 52' ' ' LEU . 37.2 t80 -46.36 -66.49 0.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.417 ' HA ' HD23 ' A' ' 53' ' ' LEU . 6.9 mm-40 -43.55 -46.72 7.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -56.66 -37.28 70.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.923 HD13 HD21 ' A' ' 21' ' ' LEU . 18.1 mt -61.12 -43.8 98.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.574 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.4 mm? -54.5 -53.19 57.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -65.63 -40.12 92.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.2 tttm -59.58 -45.91 90.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.867 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.786 0.327 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -47.13 -37.49 9.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.424 ' O ' HD23 ' A' ' 21' ' ' LEU . 48.3 mt-10 -68.52 -65.33 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -38.98 -57.59 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.684 ' HD3' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -57.69 -35.62 70.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.484 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 27.5 tp -61.64 -54.5 41.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.511 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -54.19 -34.92 61.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.843 ' CE1' HD11 ' A' ' 26' ' ' LEU . 45.6 t-80 -71.03 -65.54 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.747 ' HA ' HD12 ' A' ' 26' ' ' LEU . 2.9 mt -54.52 -53.11 58.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.86 -48.56 11.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.36 -39.83 77.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.843 HD11 ' CE1' ' A' ' 22' ' ' HIS . 15.7 mt -57.03 -52.76 63.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.452 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 33.3 mtm -135.03 86.35 32.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.605 0.717 . . . . 0.0 110.869 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -9.56 26.41 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.356 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.3 p -121.61 28.89 7.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.452 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 29.1 mm100 -134.96 35.56 3.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.636 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 76.0 m95 -52.18 -36.91 53.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -64.42 -20.92 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.6 m -97.45 -35.61 10.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.494 HG12 HD22 ' A' ' 23' ' ' LEU . 97.3 mt -72.56 -30.59 34.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.742 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -52.12 -58.5 11.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.564 0.697 . . . . 0.0 111.086 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.742 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.9 Cg_endo -69.75 -7.48 21.15 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.668 2.246 . . . . 0.0 112.342 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 92.4 mt -95.47 -20.58 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.684 HG23 ' HD3' ' A' ' 19' ' ' LYS . 28.2 mt -107.12 -37.23 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.166 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.82 28.53 3.64 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.522 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.563 ' O ' ' HB1' ' A' ' 35' ' ' ALA . 40.3 mtp85 -143.31 -178.67 5.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.926 0.393 . . . . 0.0 110.838 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 44' ' ' GLN . 23.5 p -90.54 131.85 36.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.119 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 41' ' ' THR . . . -33.88 -43.8 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.8 84.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.079 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 41' ' ' THR . 10.6 mt-30 -59.85 -52.56 64.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 88.3 m -54.62 -50.51 67.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.636 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 23.8 tp -61.44 -55.06 35.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -53.72 -60.82 2.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -53.92 -52.06 61.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.589 ' CE1' HD21 ' A' ' 53' ' ' LEU . 28.6 t80 -43.69 -72.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -43.22 -48.29 6.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.583 ' CE2' ' HD3' ' A' ' 55' ' ' LYS . 47.6 t80 -52.86 -38.24 61.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.412 HD13 HD21 ' A' ' 21' ' ' LEU . 84.9 mt -62.44 -42.46 99.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.589 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.7 mm? -56.19 -51.47 67.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -70.33 -39.36 74.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.808 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.583 ' HD3' ' CE2' ' A' ' 51' ' ' PHE . 19.4 ttpp -53.85 -43.94 69.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 179.879 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.841 0.353 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -48.88 -39.85 27.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 20' ' ' LEU . 52.0 mt-10 -68.32 -65.27 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 17' ' ' GLU . 5.3 mm-40 -37.8 -56.5 1.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.752 ' HD3' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -60.14 -34.06 73.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.478 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 33.9 tp -62.86 -53.55 52.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.858 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -54.97 -36.12 65.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.818 ' CE1' HD11 ' A' ' 26' ' ' LEU . 47.9 t-80 -68.58 -59.25 3.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.913 HD13 HG23 ' A' ' 34' ' ' ILE . 4.3 mt -56.65 -59.65 4.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -37.85 -47.6 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -68.16 -41.05 82.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.818 HD11 ' CE1' ' A' ' 22' ' ' HIS . 9.8 mt -60.3 -54.0 50.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.443 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 31.5 mtm -135.03 85.31 34.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.586 0.707 . . . . 0.0 110.882 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -10.12 27.74 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.305 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.7 p -120.86 29.16 7.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.154 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.443 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 27.0 mm100 -134.8 38.24 3.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.468 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 73.3 m95 -53.73 -37.42 63.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 ttm-85 -62.44 -21.11 65.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.453 HG22 ' CD1' ' A' ' 37' ' ' ILE . 74.6 m -97.66 -36.7 10.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.913 HG23 HD13 ' A' ' 23' ' ' LEU . 82.7 mt -72.76 -26.6 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.754 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -54.33 -59.3 10.54 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.575 0.702 . . . . 0.0 111.103 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.754 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 54.1 Cg_endo -69.71 -14.39 36.18 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.721 2.281 . . . . 0.0 112.381 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.453 ' CD1' HG22 ' A' ' 33' ' ' THR . 90.2 mt -89.11 -15.11 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.752 HG23 ' HD3' ' A' ' 19' ' ' LYS . 17.2 mt -112.64 -35.01 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.28 -32.01 3.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.38 179.59 5.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.897 0.379 . . . . 0.0 110.864 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.7 p -84.09 168.23 16.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.186 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.61 -44.43 93.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.9 -40.64 91.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -63.48 -53.87 45.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 83.9 m -52.79 -42.42 65.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.468 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 20.9 tp -70.6 -45.53 65.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -58.3 -55.51 34.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -59.67 -54.92 40.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.772 ' HA ' HD12 ' A' ' 52' ' ' LEU . 31.5 t80 -43.68 -67.89 0.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -44.14 -48.65 9.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -54.04 -36.43 63.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.858 HD13 HD21 ' A' ' 21' ' ' LEU . 25.9 mt -62.82 -44.99 94.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.614 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -53.36 -52.82 58.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -70.6 -39.08 74.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.8 tttt -56.76 -45.69 81.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.831 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 16' ' ' GLU . 7.1 mt-10 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.827 0.346 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 15' ' ' GLU . 2.6 mp0 -34.41 -40.29 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' LEU . 54.5 mt-10 -66.18 -61.2 2.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 17' ' ' GLU . 51.0 mt-10 -37.96 -58.95 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.474 ' HD3' HG23 ' A' ' 38' ' ' ILE . 1.8 ptmt -57.59 -32.95 67.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.471 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 15.8 tp -65.29 -55.54 17.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.916 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.509 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -53.19 -32.87 50.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.829 ' CE1' HD11 ' A' ' 26' ' ' LEU . 47.1 t-80 -72.43 -57.91 3.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.791 HD13 HG23 ' A' ' 34' ' ' ILE . 4.9 mt -57.64 -55.44 34.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -42.39 -48.28 5.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -67.77 -43.18 80.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.829 HD11 ' CE1' ' A' ' 22' ' ' HIS . 10.3 mt -55.92 -53.76 52.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.451 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 30.4 mtm -134.31 83.99 42.6 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.561 0.696 . . . . 0.0 110.887 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.07 3.85 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.63 2.22 . . . . 0.0 112.344 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.5 p -135.02 28.45 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.451 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 29.8 mm100 -134.68 38.02 3.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.611 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 78.2 m95 -52.6 -35.6 54.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -60.98 -21.42 63.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.572 HG22 ' CD1' ' A' ' 37' ' ' ILE . 92.8 m -97.75 -37.9 9.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.791 HG23 HD13 ' A' ' 23' ' ' LEU . 44.5 mt -70.57 -25.83 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.732 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -58.78 -58.3 20.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.594 0.711 . . . . 0.0 111.121 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.732 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.3 Cg_endo -69.8 -14.95 36.69 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.289 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.572 ' CD1' HG22 ' A' ' 33' ' ' THR . 87.8 mt -86.45 -23.85 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.162 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.474 HG23 ' HD3' ' A' ' 19' ' ' LYS . 10.9 mt -103.34 -37.9 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.127 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.76 -34.15 2.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.492 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.423 ' O ' ' HB1' ' A' ' 35' ' ' ALA . 16.9 mtp85 -92.19 177.75 6.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.368 . . . . 0.0 110.881 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.8 p -82.58 170.97 14.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.53 -50.28 70.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.36 -69.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -37.56 -47.6 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 91.5 m -61.11 -58.66 7.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.611 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 19.2 tp -52.52 -55.45 22.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -42.95 -60.91 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -56.65 -54.09 50.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.613 ' CE1' HD21 ' A' ' 53' ' ' LEU . 31.3 t80 -44.06 -68.97 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.445 ' HA ' HD23 ' A' ' 53' ' ' LEU . 13.2 mm-40 -44.17 -49.08 9.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -52.6 -41.24 63.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.503 HD13 HD21 ' A' ' 21' ' ' LEU . 83.9 mt -58.52 -49.01 78.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.613 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -47.78 -54.37 12.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -65.47 -46.46 79.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -51.0 -45.54 61.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.849 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.797 0.332 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -50.46 -37.8 40.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' LEU . 34.5 mt-10 -70.36 -61.89 1.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 17' ' ' GLU . 4.7 mm-40 -37.61 -56.43 1.04 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.481 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -59.06 -35.96 74.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.481 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 30.9 tp -62.39 -54.94 33.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.94 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.767 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -53.29 -38.58 63.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.76 ' CE1' HD11 ' A' ' 26' ' ' LEU . 49.2 t-80 -64.87 -57.32 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.854 HD13 HG23 ' A' ' 34' ' ' ILE . 3.7 mt -57.09 -64.45 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 23' ' ' LEU . . . -34.29 -47.6 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -66.75 -42.35 86.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.812 HD12 ' HA ' ' A' ' 23' ' ' LEU . 9.5 mt -59.4 -54.04 51.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.958 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.456 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 27.1 mtm -135.0 84.53 37.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.578 0.704 . . . . 0.0 110.88 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.41 23.52 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.7 2.267 . . . . 0.0 112.354 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 63.7 p -121.75 26.65 8.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.456 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 29.3 mm100 -134.33 36.22 3.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.485 ' CE2' HD13 ' A' ' 46' ' ' LEU . 77.8 m95 -52.18 -40.08 60.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -59.67 -18.53 42.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.824 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 62.5 m -97.38 -35.3 10.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.854 HG23 HD13 ' A' ' 23' ' ' LEU . 90.5 mt -71.75 -33.35 48.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.716 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -50.06 -57.45 12.6 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.569 0.7 . . . . 0.0 111.083 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.716 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 54.0 Cg_endo -69.78 -11.71 31.38 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.656 2.237 . . . . 0.0 112.365 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 95.9 mt -90.95 -17.94 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.8 mt -110.23 -34.91 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 125.33 -31.77 4.13 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.3 mtt85 -91.94 172.28 8.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.923 0.392 . . . . 0.0 110.846 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 50.4 p -79.84 162.23 25.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.48 -39.74 70.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.072 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.21 -49.99 72.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -61.16 -46.66 89.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.4 m -62.46 -53.51 53.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.485 HD13 ' CE2' ' A' ' 31' ' ' TRP . 25.9 tp -59.46 -50.03 75.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -53.91 -54.25 41.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -59.52 -53.7 55.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.584 ' HA ' HD12 ' A' ' 52' ' ' LEU . 31.7 t80 -43.44 -67.74 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.959 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -44.96 -49.19 11.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -52.46 -37.7 57.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.767 HD13 HD21 ' A' ' 21' ' ' LEU . 47.2 mt -61.79 -43.95 97.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.565 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.5 mm? -54.77 -52.16 63.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -65.78 -43.68 88.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -53.34 -48.92 68.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.804 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.865 0.364 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -45.31 -40.11 7.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 20' ' ' LEU . 37.6 mt-10 -68.51 -66.45 0.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 17' ' ' GLU . 31.2 mm-40 -36.84 -55.58 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.892 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.725 ' HD3' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -61.52 -35.13 76.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.482 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 40.5 tp -61.48 -52.48 64.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.802 HD21 HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -55.75 -36.92 67.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.776 ' CD2' HD11 ' A' ' 26' ' ' LEU . 81.3 t60 -65.67 -56.34 12.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.769 HD13 HG23 ' A' ' 34' ' ' ILE . 5.2 mt -62.62 -60.34 3.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -38.07 -44.93 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.62 -42.92 67.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.776 HD11 ' CD2' ' A' ' 22' ' ' HIS . 9.3 mt -57.97 -54.03 51.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.585 ' O ' HD11 ' A' ' 34' ' ' ILE . 30.5 mtm -134.74 86.84 32.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.545 0.688 . . . . 0.0 110.848 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -16.6 37.78 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.645 2.23 . . . . 0.0 112.391 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.3 p -113.58 28.32 8.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.453 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 30.6 mm100 -135.06 39.96 2.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.476 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 76.2 m95 -54.95 -37.33 66.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -60.04 -21.37 61.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.632 HG22 ' CD1' ' A' ' 37' ' ' ILE . 85.8 m -97.74 -37.32 9.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.769 HG23 HD13 ' A' ' 23' ' ' LEU . 43.6 mt -69.48 -24.26 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.751 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -61.42 -58.83 16.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.558 0.694 . . . . 0.0 111.059 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.751 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.8 Cg_endo -69.72 -13.69 35.14 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.385 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.632 ' CD1' HG22 ' A' ' 33' ' ' THR . 96.1 mt -89.65 -23.7 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.725 HG23 ' HD3' ' A' ' 19' ' ' LYS . 18.0 mt -103.69 -35.06 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.87 -30.58 4.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.5 179.74 5.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 110.903 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 82.1 p -88.06 156.84 19.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -49.04 -43.3 40.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.059 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.05 -44.24 89.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -62.35 -45.24 94.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 95.3 m -62.91 -51.38 67.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.476 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 16.6 tp -61.97 -50.74 70.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -53.96 -54.12 43.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -61.48 -55.21 33.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.867 ' HA ' HD12 ' A' ' 52' ' ' LEU . 36.8 t80 -44.47 -67.01 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -44.44 -47.24 9.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -56.06 -36.93 68.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.867 HD12 ' HA ' ' A' ' 49' ' ' TYR . 20.7 mt -61.58 -49.51 76.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.605 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.7 mm? -48.26 -51.72 24.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -66.46 -45.46 79.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -52.86 -43.64 66.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.07 179.872 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.789 0.328 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -54.07 -34.89 61.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 20' ' ' LEU . 54.1 mt-10 -66.05 -61.46 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 17' ' ' GLU . 20.8 mt-10 -35.35 -57.72 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.625 ' HD3' HG23 ' A' ' 38' ' ' ILE . 6.7 ptmt -61.8 -34.36 75.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 17' ' ' GLU . 35.4 tp -61.02 -52.28 65.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.541 HD21 HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -55.78 -34.91 65.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.838 ' CE1' HD11 ' A' ' 26' ' ' LEU . 48.3 t-80 -70.72 -62.54 1.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.774 HD13 HG23 ' A' ' 34' ' ' ILE . 4.0 mt -53.79 -53.42 52.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.11 -47.69 8.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.072 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -68.38 -40.89 81.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.838 HD11 ' CE1' ' A' ' 22' ' ' HIS . 11.9 mt -58.47 -53.42 58.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.932 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.454 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 32.3 mtm -135.01 85.02 35.58 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.623 0.725 . . . . 0.0 110.842 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -6.22 18.09 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 55.6 p -125.34 27.56 6.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.454 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 29.7 mm100 -134.97 38.15 3.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -52.0 -39.35 59.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -57.92 -20.05 34.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.4 ' C ' ' HD2' ' A' ' 36' ' ' PRO . 91.4 m -97.54 -35.59 10.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.774 HG23 HD13 ' A' ' 23' ' ' LEU . 92.5 mt -73.38 -21.09 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.715 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -61.03 -57.5 25.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.572 0.701 . . . . 0.0 111.142 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.715 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.2 Cg_endo -69.82 -13.28 34.31 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.653 2.235 . . . . 0.0 112.28 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.9 mt -87.65 -24.64 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.113 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.625 HG23 ' HD3' ' A' ' 19' ' ' LYS . 9.4 mt -103.51 -39.58 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 129.92 -30.33 3.56 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.507 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.71 -176.9 4.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 110.889 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.8 p -90.85 158.23 16.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.06 -53.1 17.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.91 -45.5 71.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -61.81 -52.22 65.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.1 m -52.36 -46.32 66.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.8 tp -64.38 -51.34 63.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -55.14 -53.79 51.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -60.87 -53.14 60.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.509 ' CE1' HD21 ' A' ' 53' ' ' LEU . 31.8 t80 -46.89 -68.88 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -44.95 -48.57 11.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -50.6 -40.25 52.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.541 HD13 HD21 ' A' ' 21' ' ' LEU . 96.5 mt -60.7 -44.56 96.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.509 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -53.76 -51.39 63.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -68.93 -41.51 78.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -57.61 -33.9 68.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.81 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.795 0.331 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -41.77 -41.47 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 20' ' ' LEU . 68.3 mt-10 -63.32 -63.34 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' GLU . 13.2 mt-10 -36.49 -59.87 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.602 ' HD3' HG23 ' A' ' 38' ' ' ILE . 6.2 ptmt -59.34 -32.92 70.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.488 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 24.6 tp -62.7 -53.18 58.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.509 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -54.92 -34.07 62.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.757 ' CE1' HD11 ' A' ' 26' ' ' LEU . 47.6 t-80 -71.47 -62.84 1.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.755 ' HA ' HD12 ' A' ' 26' ' ' LEU . 3.3 mt -56.35 -53.36 58.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.22 -47.93 12.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.39 -42.66 82.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.757 HD11 ' CE1' ' A' ' 22' ' ' HIS . 11.9 mt -55.92 -53.23 59.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.454 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 29.9 mtm -135.01 82.92 41.38 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.58 0.705 . . . . 0.0 110.905 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -2.07 9.51 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.9 p -127.18 23.38 6.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.454 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 26.2 mm100 -130.26 36.88 3.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.822 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 79.8 m95 -51.65 -38.15 53.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -63.94 -21.41 66.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.6 m -97.63 -35.12 10.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.535 ' HA ' HD12 ' A' ' 37' ' ' ILE . 94.6 mt -76.44 -25.01 16.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.706 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -52.84 -57.12 17.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.569 0.699 . . . . 0.0 111.056 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.706 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 54.0 Cg_endo -69.76 -8.56 23.91 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.691 2.26 . . . . 0.0 112.326 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 34' ' ' ILE . 93.0 mt -92.76 -19.54 6.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.602 HG23 ' HD3' ' A' ' 19' ' ' LYS . 12.5 mt -110.39 -37.88 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.22 -26.42 5.82 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.21 174.43 7.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.4 p -83.06 148.6 27.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.497 ' HB1' ' CB ' ' A' ' 31' ' ' TRP . . . -41.6 -52.37 3.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.064 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.94 -42.65 90.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.103 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -62.63 -47.04 85.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.4 m -61.16 -44.79 96.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.822 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 25.4 tp -67.28 -46.16 74.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.35 -50.88 69.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -65.33 -50.59 65.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.523 ' CE1' HD21 ' A' ' 53' ' ' LEU . 29.6 t80 -49.27 -67.21 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -45.26 -45.77 12.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -54.57 -39.74 68.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.436 ' CD1' HD21 ' A' ' 21' ' ' LEU . 78.9 mt -59.28 -45.43 91.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.523 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.2 mm? -52.75 -52.71 55.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -68.03 -41.73 81.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -52.59 -44.89 66.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.074 179.848 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.43 ' HG2' ' NH1' ' A' ' 40' ' ' ARG . 1.7 mp0 -49.22 -38.61 26.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 20' ' ' LEU . 53.3 mt-10 -68.81 -65.1 0.75 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' GLU . 5.0 mm-40 -36.58 -56.31 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.791 ' HD3' HG23 ' A' ' 38' ' ' ILE . 2.7 ptmm? -61.96 -36.82 82.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 17' ' ' GLU . 41.6 tp -57.93 -53.18 61.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.514 HD23 ' H ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -54.3 -37.72 65.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.873 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.871 ' CE1' HD11 ' A' ' 26' ' ' LEU . 53.7 t-80 -71.72 -60.69 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.745 ' HA ' HD12 ' A' ' 26' ' ' LEU . 4.0 mt -49.05 -52.41 25.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.48 -45.27 9.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -68.94 -42.59 76.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.871 HD11 ' CE1' ' A' ' 22' ' ' HIS . 8.9 mt -58.31 -55.36 35.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.447 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 26.9 mtm -134.98 85.51 34.56 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.515 0.674 . . . . 0.0 110.878 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -16.67 37.45 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.4 p -115.27 29.4 8.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.447 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 29.6 mm100 -134.78 37.87 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -52.37 -37.67 56.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -60.4 -20.66 60.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.583 HG22 ' CD1' ' A' ' 37' ' ' ILE . 89.4 m -97.77 -39.0 9.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.699 HG23 HD13 ' A' ' 23' ' ' LEU . 74.5 mt -71.91 -21.56 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.139 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.731 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -62.22 -58.61 16.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.583 0.706 . . . . 0.0 111.154 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.731 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.8 Cg_endo -69.76 -16.67 37.67 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.736 2.291 . . . . 0.0 112.312 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.583 ' CD1' HG22 ' A' ' 33' ' ' THR . 78.5 mt -85.57 -22.97 7.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.791 HG23 ' HD3' ' A' ' 19' ' ' LYS . 12.9 mt -102.35 -36.35 4.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.58 -29.41 4.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.43 ' NH1' ' HG2' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -92.82 173.14 7.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.926 0.393 . . . . 0.0 110.869 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 57.6 p -81.81 160.51 23.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.03 -50.98 25.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.125 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.14 -40.46 93.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -63.8 -42.64 97.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 90.7 m -66.34 -47.3 73.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 18.6 tp -65.67 -47.79 74.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -61.87 -52.02 65.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -62.1 -49.9 74.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.635 ' CE1' HD21 ' A' ' 53' ' ' LEU . 22.3 t80 -45.47 -69.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.496 ' HA ' HD23 ' A' ' 53' ' ' LEU . 7.2 mm-40 -44.61 -50.55 9.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 51' ' ' PHE . 3.0 t80 -48.26 -41.55 28.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.495 HD13 HD21 ' A' ' 21' ' ' LEU . 93.5 mt -59.72 -46.78 88.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.635 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.5 mm? -51.9 -55.54 19.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -60.5 -43.04 97.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -56.25 -42.04 76.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.067 179.855 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.815 0.341 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -51.81 -38.19 54.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.422 ' O ' HD23 ' A' ' 21' ' ' LEU . 63.2 mt-10 -70.73 -63.76 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -39.31 -55.32 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.647 ' HD3' HG23 ' A' ' 38' ' ' ILE . 8.4 ptmt -59.32 -35.08 73.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.481 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 35.0 tp -63.18 -55.0 28.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.861 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -53.39 -35.0 59.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.834 ' CE1' HD11 ' A' ' 26' ' ' LEU . 49.6 t-80 -70.55 -61.94 1.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.714 HD13 HG23 ' A' ' 34' ' ' ILE . 4.3 mt -52.85 -52.14 58.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.86 -46.63 15.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.56 -40.94 80.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.834 HD11 ' CE1' ' A' ' 22' ' ' HIS . 10.1 mt -58.59 -53.47 57.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.451 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 33.3 mtm -135.02 83.09 40.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.597 0.713 . . . . 0.0 110.879 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 1.98 3.95 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.66 2.24 . . . . 0.0 112.309 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 78.5 p -131.34 22.1 4.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.148 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.451 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 28.8 mm100 -130.0 37.81 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -51.39 -41.61 60.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -58.24 -20.66 43.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.576 HG22 ' CD1' ' A' ' 37' ' ' ILE . 64.4 m -97.53 -36.23 10.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.714 HG23 HD13 ' A' ' 23' ' ' LEU . 96.9 mt -69.94 -20.91 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.157 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.756 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -61.65 -59.22 14.05 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.584 0.706 . . . . 0.0 111.084 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.756 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.2 Cg_endo -69.79 -13.93 35.28 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.671 2.247 . . . . 0.0 112.338 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.576 ' CD1' HG22 ' A' ' 33' ' ' THR . 92.7 mt -88.7 -17.48 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.647 HG23 ' HD3' ' A' ' 19' ' ' LYS . 17.1 mt -109.53 -36.39 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.87 -27.51 5.4 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.503 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.77 178.3 5.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.896 0.379 . . . . 0.0 110.86 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.7 p -84.21 160.03 20.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.66 -52.57 38.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.062 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.11 -35.19 69.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.087 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -64.58 -53.29 50.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 93.7 m -55.2 -49.75 71.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 42.5 tp -63.35 -47.9 80.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -57.59 -58.5 8.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -59.3 -53.72 55.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.828 ' HA ' HD12 ' A' ' 52' ' ' LEU . 36.9 t80 -45.5 -67.44 0.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -44.03 -46.52 8.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -56.97 -36.21 70.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.861 HD13 HD21 ' A' ' 21' ' ' LEU . 23.5 mt -62.77 -46.34 88.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.558 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -51.95 -56.45 14.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -64.81 -42.22 95.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -53.41 -52.12 60.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.06 179.834 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.77 0.319 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -55.62 -31.83 62.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 20' ' ' LEU . 53.6 mt-10 -68.63 -66.18 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' GLU . 6.6 mm-40 -35.89 -56.22 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.497 ' HD3' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -62.85 -36.33 82.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.478 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 42.1 tp -58.13 -53.62 56.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.608 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -53.52 -39.05 64.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.871 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.804 ' CE1' HD11 ' A' ' 26' ' ' LEU . 51.3 t-80 -66.68 -61.58 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.732 ' HA ' HD12 ' A' ' 26' ' ' LEU . 3.6 mt -53.51 -60.39 3.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -36.73 -47.8 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -66.94 -49.69 64.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.804 HD11 ' CE1' ' A' ' 22' ' ' HIS . 9.6 mt -50.51 -55.65 15.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.448 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 26.0 mtm -135.04 87.18 30.01 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.601 0.715 . . . . 0.0 110.857 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.416 ' O ' ' NE1' ' A' ' 31' ' ' TRP . 53.5 Cg_endo -69.85 -28.62 24.59 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.309 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.8 p -101.55 27.56 6.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.448 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 28.7 mm100 -133.37 37.77 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.483 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 78.9 m95 -53.67 -34.31 58.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -63.3 -19.7 64.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.653 HG22 ' CD1' ' A' ' 37' ' ' ILE . 78.8 m -97.59 -38.16 9.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.147 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.715 HG23 HD13 ' A' ' 23' ' ' LEU . 82.0 mt -72.24 -24.67 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.767 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -61.32 -59.09 14.69 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.559 0.695 . . . . 0.0 111.116 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.767 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.3 Cg_endo -69.78 -13.9 35.27 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.75 2.3 . . . . 0.0 112.309 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.653 ' CD1' HG22 ' A' ' 33' ' ' THR . 82.2 mt -88.9 -16.65 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.497 HG23 ' HD3' ' A' ' 19' ' ' LYS . 19.1 mt -110.67 -37.9 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.63 -27.91 4.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.517 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.68 178.62 6.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 110.848 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 47.8 p -90.26 151.33 21.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -42.36 -50.86 5.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.32 -43.54 98.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -60.96 -44.59 97.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 90.3 m -62.81 -52.38 63.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.483 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 20.5 tp -62.03 -41.36 98.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -61.67 -55.56 29.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 38.5 t60 -59.97 -53.71 54.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.587 ' CE1' HD21 ' A' ' 53' ' ' LEU . 38.5 t80 -44.85 -69.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -44.14 -45.57 8.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -57.64 -40.24 78.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.608 HD13 HD21 ' A' ' 21' ' ' LEU . 83.5 mt -58.21 -48.94 78.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.587 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.7 mm? -48.12 -52.59 19.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -64.03 -48.12 77.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -51.24 -43.22 61.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.85 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -46.51 -38.42 9.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 20' ' ' LEU . 52.8 mt-10 -67.55 -64.68 0.81 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 17' ' ' GLU . 39.8 mm-40 -37.05 -57.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.597 ' HD3' HG23 ' A' ' 38' ' ' ILE . 4.5 ptmt -60.33 -34.67 74.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.481 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 32.6 tp -62.02 -53.86 49.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.777 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -54.03 -36.79 63.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.866 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.841 ' CE1' HD11 ' A' ' 26' ' ' LEU . 49.3 t-80 -67.83 -59.79 3.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.741 ' HA ' HD12 ' A' ' 26' ' ' LEU . 2.5 mt -59.18 -56.9 16.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -41.48 -47.79 3.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.087 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -38.77 80.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.841 HD11 ' CE1' ' A' ' 22' ' ' HIS . 13.3 mt -60.2 -53.79 53.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.455 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 35.1 mtm -134.96 89.38 24.56 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.575 0.702 . . . . 0.0 110.866 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -23.45 30.45 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.338 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.2 p -107.79 30.14 6.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.455 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 28.4 mm100 -135.0 39.56 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.585 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 76.8 m95 -57.16 -36.63 71.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.7 mtm105 -64.71 -18.61 65.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.2 m -97.66 -37.03 10.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.57 HG12 HD22 ' A' ' 23' ' ' LEU . 95.8 mt -72.67 -33.2 43.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.755 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -49.43 -58.67 8.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.576 0.703 . . . . 0.0 111.153 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.755 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.3 Cg_endo -69.8 -12.17 32.29 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.431 ' O ' HG22 ' A' ' 37' ' ' ILE . 90.3 mt -91.61 -15.35 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.597 HG23 ' HD3' ' A' ' 19' ' ' LYS . 18.6 mt -113.55 -34.3 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.96 -35.34 2.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.427 ' O ' ' HB1' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -89.81 178.56 6.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.912 0.386 . . . . 0.0 110.834 -179.821 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.428 ' HA ' ' HB1' ' A' ' 35' ' ' ALA . 27.8 p -89.82 161.11 16.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.451 ' HB1' ' HB3' ' A' ' 31' ' ' TRP . . . -48.98 -51.6 29.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.01 -49.76 72.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -58.69 -48.89 79.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 85.1 m -59.43 -56.4 22.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.585 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 22.7 tp -58.55 -39.85 81.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -61.68 -50.46 72.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -66.83 -56.26 11.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.769 ' HA ' HD12 ' A' ' 52' ' ' LEU . 28.5 t80 -43.83 -63.03 0.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -47.23 -48.58 24.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -52.62 -39.02 61.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.777 HD13 HD21 ' A' ' 21' ' ' LEU . 17.9 mt -60.31 -50.16 74.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.631 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.7 mm? -47.55 -52.64 16.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -64.88 -47.25 78.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -51.95 -42.83 63.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.817 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.75 -38.12 3.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.544 ' OE1' HD22 ' A' ' 52' ' ' LEU . 43.3 mt-10 -66.92 -62.35 1.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' GLU . 58.5 mt-10 -37.43 -58.09 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.498 ' HD3' HG23 ' A' ' 38' ' ' ILE . 7.1 ptmt -58.51 -35.78 72.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.482 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 31.3 tp -61.2 -53.41 57.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.519 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -55.94 -35.34 66.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.798 ' CE1' HD11 ' A' ' 26' ' ' LEU . 44.3 t-80 -69.66 -62.51 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.718 ' HA ' HD12 ' A' ' 26' ' ' LEU . 4.0 mt -58.3 -54.49 46.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.5 -46.62 6.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -70.17 -43.18 71.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.798 HD11 ' CE1' ' A' ' 22' ' ' HIS . 11.0 mt -55.76 -55.87 27.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.46 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 19.6 mtm -135.05 89.57 23.73 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.606 0.717 . . . . 0.0 110.872 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.442 ' O ' ' NE1' ' A' ' 31' ' ' TRP . 53.3 Cg_endo -69.77 -42.8 3.08 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.685 2.256 . . . . 0.0 112.312 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.0 p -87.02 23.16 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.199 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.46 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 25.5 mm100 -130.21 38.59 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.704 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 79.6 m95 -54.39 -34.0 60.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -60.08 -19.73 54.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.567 HG22 ' CD1' ' A' ' 37' ' ' ILE . 51.6 m -97.6 -38.62 9.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.656 HG12 HD22 ' A' ' 23' ' ' LEU . 90.2 mt -72.66 -20.05 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.723 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -64.95 -57.92 14.4 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.608 0.718 . . . . 0.0 111.123 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.723 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.5 Cg_endo -69.84 -14.87 36.41 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.695 2.263 . . . . 0.0 112.299 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.567 ' CD1' HG22 ' A' ' 33' ' ' THR . 81.8 mt -86.03 -23.88 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.498 HG23 ' HD3' ' A' ' 19' ' ' LYS . 9.2 mt -102.62 -40.01 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 128.56 -25.71 4.72 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.456 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.0 mtt85 -98.2 178.24 5.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.891 0.377 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.1 p -82.92 158.33 22.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.123 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.672 ' HB1' ' CB ' ' A' ' 31' ' ' TRP . . . -53.85 -50.06 67.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.057 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.81 -45.33 74.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -63.5 -54.02 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 87.8 m -52.95 -45.89 67.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.704 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 15.3 tp -63.61 -49.22 74.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -54.53 -59.39 4.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -57.93 -47.53 82.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.521 ' CE1' HD21 ' A' ' 53' ' ' LEU . 30.6 t80 -47.59 -71.68 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -43.53 -41.78 4.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.453 ' CD1' ' C ' ' A' ' 51' ' ' PHE . 0.3 OUTLIER -58.73 -38.74 79.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.544 HD22 ' OE1' ' A' ' 17' ' ' GLU . 95.7 mt -61.71 -42.47 98.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.521 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.0 mm? -56.87 -53.13 61.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -68.13 -40.56 82.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -50.96 -44.05 60.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.065 179.823 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 16' ' ' GLU . 38.3 mt-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.799 0.333 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' GLU . 9.6 mm-40 -34.75 -40.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' LEU . 86.9 mt-10 -65.55 -61.08 2.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' GLU . 51.7 mt-10 -36.93 -57.4 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.512 ' HD3' HG23 ' A' ' 38' ' ' ILE . 6.8 ptmt -61.16 -32.41 72.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 17' ' ' GLU . 30.1 tp -64.12 -53.07 55.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.847 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -55.72 -34.35 65.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.81 ' CE1' HD11 ' A' ' 26' ' ' LEU . 47.0 t-80 -71.49 -61.92 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.878 HD13 HG23 ' A' ' 34' ' ' ILE . 3.8 mt -55.59 -54.03 49.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.67 -44.14 8.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -71.23 -40.38 71.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.81 HD11 ' CE1' ' A' ' 22' ' ' HIS . 10.4 mt -60.8 -55.78 29.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.456 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 22.2 mtm -135.05 86.23 32.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.554 0.692 . . . . 0.0 110.833 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.464 ' O ' ' NE1' ' A' ' 31' ' ' TRP . 53.8 Cg_endo -69.81 -24.79 29.05 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.323 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 58.7 p -105.17 27.4 8.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.456 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 27.2 mm100 -134.91 36.7 3.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.733 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 74.1 m95 -52.26 -39.8 60.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -58.16 -18.81 28.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.427 ' C ' ' HD2' ' A' ' 36' ' ' PRO . 91.2 m -97.63 -35.5 10.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.878 HG23 HD13 ' A' ' 23' ' ' LEU . 76.2 mt -75.84 -15.69 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.159 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.664 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -64.18 -55.55 30.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.535 0.683 . . . . 0.0 111.092 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.664 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.8 Cg_endo -69.73 -10.75 29.34 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 34' ' ' ILE . 80.1 mt -90.76 -31.37 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.512 HG23 ' HD3' ' A' ' 19' ' ' LYS . 9.9 mt -96.94 -36.63 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.29 -15.65 10.01 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.514 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.438 ' O ' ' HB1' ' A' ' 35' ' ' ALA . 12.6 mtp180 -102.84 178.11 4.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.92 0.391 . . . . 0.0 110.861 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 p -89.87 150.27 22.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -41.96 -44.71 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.14 -46.81 72.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.403 ' N ' ' CD ' ' A' ' 44' ' ' GLN . 5.8 mm-40 -66.28 -60.09 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 92.9 m -43.92 -40.26 4.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.733 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 52.6 tp -75.61 -50.38 15.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -52.23 -61.58 2.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -54.53 -55.76 25.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.71 ' HA ' HD12 ' A' ' 52' ' ' LEU . 45.8 t80 -41.78 -69.96 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -44.93 -46.22 10.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -56.7 -34.67 67.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.847 HD13 HD21 ' A' ' 21' ' ' LEU . 28.1 mt -65.54 -50.6 64.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.578 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -47.7 -53.32 15.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -67.49 -42.1 83.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -57.28 -37.4 72.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.05 179.867 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.1 m -153.93 177.8 10.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.863 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.6 p -130.57 159.64 36.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.89 50.41 2.61 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 t -126.41 169.52 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.92 0.391 . . . . 0.0 110.816 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -66.02 149.07 50.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.9 -85.86 0.16 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.45 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -64.17 -47.11 81.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -63.51 165.23 8.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 88.3 m -153.2 113.86 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -93.17 133.38 36.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.642 ' CZ3' HD22 ' A' ' 20' ' ' LEU . 19.5 m95 -84.94 165.87 17.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.5 t -127.22 157.71 39.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.5 tpt85 -41.26 -42.54 2.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -62.69 -54.03 45.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -56.34 -34.88 67.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 20' ' ' LEU . 26.9 mt-10 -70.07 -64.92 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 17' ' ' GLU . 7.5 mm-40 -37.37 -54.93 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.676 ' HD3' HG23 ' A' ' 38' ' ' ILE . 1.3 ptmt -62.47 -34.58 77.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.642 HD22 ' CZ3' ' A' ' 12' ' ' TRP . 27.2 tp -61.39 -52.55 64.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.966 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.737 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -55.82 -35.78 66.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.914 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.803 ' CE1' HD11 ' A' ' 26' ' ' LEU . 48.8 t-80 -68.6 -58.54 4.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.828 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.73 ' HA ' HD12 ' A' ' 26' ' ' LEU . 4.3 mt -58.07 -58.71 7.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -40.35 -46.76 2.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -68.32 -42.41 79.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.803 HD11 ' CE1' ' A' ' 22' ' ' HIS . 9.4 mt -58.11 -54.49 46.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.445 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 30.1 mtm -135.0 82.94 41.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.579 0.704 . . . . 0.0 110.913 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -7.19 20.44 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.728 2.286 . . . . 0.0 112.298 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.0 p -119.23 18.7 12.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.445 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 29.2 mm100 -127.44 37.56 4.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -52.7 -36.99 58.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -60.35 -21.58 62.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.738 HG22 ' CD1' ' A' ' 37' ' ' ILE . 99.9 m -97.68 -39.43 9.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.179 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.712 HG23 HD13 ' A' ' 23' ' ' LEU . 70.7 mt -67.25 -31.83 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.196 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.769 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -53.19 -59.43 9.18 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.574 0.702 . . . . 0.0 111.128 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.769 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 54.0 Cg_endo -69.75 -14.52 36.22 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.637 2.225 . . . . 0.0 112.387 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.738 ' CD1' HG22 ' A' ' 33' ' ' THR . 81.7 mt -88.45 -17.05 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.676 HG23 ' HD3' ' A' ' 19' ' ' LYS . 18.3 mt -110.45 -35.89 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.169 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.54 -31.91 3.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.509 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -90.74 169.87 10.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.856 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.9 p -79.22 162.7 25.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.23 -51.09 57.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.9 -44.14 94.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -61.89 -44.75 96.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.0 m -62.0 -53.31 57.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.3 tp -61.66 -49.49 76.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -54.64 -52.4 62.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.521 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 67.6 t60 -62.86 -52.22 63.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.642 ' CE1' HD21 ' A' ' 53' ' ' LEU . 29.6 t80 -47.59 -66.3 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.931 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -45.37 -46.08 12.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.404 ' CE2' ' HD3' ' A' ' 55' ' ' LYS . 11.7 t80 -54.77 -39.5 68.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.737 HD13 HD21 ' A' ' 21' ' ' LEU . 28.9 mt -60.5 -51.08 70.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.642 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.7 mm? -46.12 -52.0 12.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -65.6 -46.26 80.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.808 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.404 ' HD3' ' CE2' ' A' ' 51' ' ' PHE . 23.4 ttpp -53.29 -43.64 67.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.78 -50.19 74.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.87 -50.78 65.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 59' ' ' ARG . 78.7 mm-40 -51.4 -44.2 62.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 58' ' ' GLN . 3.8 tpt180 -34.58 129.59 0.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -40.7 -46.38 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.7 m -38.47 115.85 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.26 145.5 49.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 165.6 30.43 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 65' ' ' SER . 15.0 t -103.58 94.86 5.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 64' ' ' SER . 14.4 m -36.13 102.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.9 p -140.56 117.1 10.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.865 0.364 . . . . 0.0 110.884 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t 55.9 42.35 28.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.31 167.68 13.03 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.492 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.9 t -103.07 124.43 48.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 110.877 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 t -135.19 163.6 29.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.51 -167.6 14.0 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -110.12 152.39 26.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -138.83 116.31 11.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.1 m -52.09 101.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.5 mp0 -73.64 128.45 35.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.813 ' CZ3' HD22 ' A' ' 20' ' ' LEU . 19.0 m95 -80.53 149.59 29.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 14' ' ' ARG . 25.4 p -105.09 151.28 24.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 13' ' ' SER . 5.2 tpp85 -37.95 -40.06 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -68.5 -49.53 58.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.483 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 57.4 mt-10 -53.9 -36.17 62.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 20' ' ' LEU . 51.5 mt-10 -70.98 -66.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 17' ' ' GLU . 12.4 mm-40 -37.72 -55.35 1.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.489 ' HD3' HG23 ' A' ' 38' ' ' ILE . 2.0 ptmt -60.23 -36.21 77.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.949 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.813 HD22 ' CZ3' ' A' ' 12' ' ' TRP . 25.9 tp -60.77 -53.04 62.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.837 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -55.75 -35.02 65.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.836 ' CE1' HD11 ' A' ' 26' ' ' LEU . 46.1 t-80 -69.74 -63.86 0.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.806 HD22 HG12 ' A' ' 34' ' ' ILE . 3.4 mt -54.48 -54.99 33.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.15 -45.06 8.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.55 -38.92 70.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.836 HD11 ' CE1' ' A' ' 22' ' ' HIS . 12.5 mt -60.41 -54.3 47.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.45 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 24.1 mtm -135.03 83.25 40.36 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.625 0.726 . . . . 0.0 110.857 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -8.95 24.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.713 2.276 . . . . 0.0 112.341 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.5 p -118.38 20.14 13.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.45 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 28.1 mm100 -131.0 39.91 3.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -52.89 -37.76 60.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -59.37 -18.63 40.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.449 HG22 ' CD1' ' A' ' 37' ' ' ILE . 58.4 m -97.6 -33.88 11.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.806 HG12 HD22 ' A' ' 23' ' ' LEU . 99.2 mt -75.49 -27.93 19.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.751 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -56.24 -58.86 14.03 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.548 0.69 . . . . 0.0 111.056 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.751 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 54.2 Cg_endo -69.68 -11.67 31.44 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.449 ' CD1' HG22 ' A' ' 33' ' ' THR . 89.2 mt -91.85 -17.88 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.489 HG23 ' HD3' ' A' ' 19' ' ' LYS . 21.2 mt -110.72 -32.09 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.1 -27.49 6.71 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.45 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.71 174.94 7.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.364 . . . . 0.0 110.875 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 37.1 p -86.8 155.76 20.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.25 -52.55 12.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.077 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.89 -41.6 58.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -64.01 -60.57 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.5 m -44.66 -47.43 10.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 53.6 tp -64.24 -53.67 45.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -53.25 -61.0 2.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.691 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 58.9 t60 -56.27 -53.47 56.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.715 ' HA ' HD12 ' A' ' 52' ' ' LEU . 30.4 t80 -45.45 -69.02 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -44.91 -45.52 10.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.564 ' CE2' ' HD3' ' A' ' 55' ' ' LYS . 11.6 t80 -56.07 -33.13 64.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.837 HD13 HD21 ' A' ' 21' ' ' LEU . 26.1 mt -67.33 -40.57 85.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.559 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.3 mm? -59.45 -50.3 74.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -70.15 -39.29 75.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.564 ' HD3' ' CE2' ' A' ' 51' ' ' PHE . 36.5 ttpt -54.66 -48.75 71.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.41 -40.56 8.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.108 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.71 -50.85 14.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 59' ' ' ARG . 33.6 mt-30 -44.51 -44.08 8.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 58' ' ' GLN . 31.1 ttt85 -34.54 -45.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -41.73 105.7 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.819 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 t -139.18 163.95 31.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -104.49 -170.98 24.73 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 94.37 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.391 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.3 m -81.98 98.84 8.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -113.01 -60.43 1.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.8 p -112.65 -49.32 2.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.862 0.363 . . . . 0.0 110.824 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 m -76.71 125.63 29.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.798 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.32 -66.2 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.472 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.7 p -171.55 148.56 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 0.0 110.821 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -76.63 93.45 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.41 122.83 0.7 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.416 ' HD3' ' C ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -48.8 133.58 17.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 110.917 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 pttm -100.93 174.28 6.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 59.8 m -141.59 111.32 6.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -112.93 148.0 35.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.647 ' CB ' ' CE1' ' A' ' 48' ' ' HIS . 26.0 m95 -92.7 152.67 19.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 t -112.9 170.19 8.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.4 tpm_? -50.69 -40.13 53.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -67.92 -57.02 6.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.434 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 1.7 mp0 -48.5 -35.9 14.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 20' ' ' LEU . 39.0 mt-10 -70.32 -65.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -38.61 -55.55 1.42 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.668 ' HD3' HG23 ' A' ' 38' ' ' ILE . 8.4 ptmt -59.46 -34.88 73.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.488 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 34.9 tp -63.02 -55.14 28.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.966 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.513 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -52.82 -35.28 56.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.787 ' CE1' HD11 ' A' ' 26' ' ' LEU . 51.1 t-80 -69.72 -61.63 1.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.834 HD13 HG23 ' A' ' 34' ' ' ILE . 3.9 mt -53.02 -59.95 3.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 23' ' ' LEU . . . -35.79 -48.18 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.2 ttmt -66.81 -49.58 65.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.787 HD11 ' CE1' ' A' ' 22' ' ' HIS . 9.1 mt -50.72 -55.11 18.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.449 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 24.7 mtm -135.0 84.23 37.86 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.603 0.716 . . . . 0.0 110.905 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -11.54 31.08 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.673 2.249 . . . . 0.0 112.319 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.9 p -118.56 27.22 9.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.108 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.449 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 28.3 mm100 -134.72 36.13 3.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.403 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 76.7 m95 -51.87 -41.75 62.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -61.69 -17.73 56.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.6 m -97.58 -33.68 11.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.148 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.834 HG23 HD13 ' A' ' 23' ' ' LEU . 89.4 mt -76.74 -28.99 17.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.727 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -47.85 -58.27 8.15 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 0.0 111.116 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.727 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.4 Cg_endo -69.77 -11.14 30.22 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.357 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 34' ' ' ILE . 90.7 mt -91.67 -17.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.668 HG23 ' HD3' ' A' ' 19' ' ' LYS . 18.3 mt -110.56 -34.05 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.68 -27.64 6.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.521 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.6 176.8 6.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.912 0.387 . . . . 0.0 110.867 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.3 p -85.49 153.42 22.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.65 -47.33 20.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.16 -52.31 65.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.068 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -59.47 -42.77 92.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 70.8 m -61.7 -51.47 68.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.403 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 23.4 tp -62.7 -47.95 81.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -60.12 -51.22 70.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.647 ' CE1' ' CB ' ' A' ' 12' ' ' TRP . 21.3 t-80 -61.95 -51.02 69.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE1' HD21 ' A' ' 53' ' ' LEU . 28.1 t80 -47.08 -69.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -46.1 -45.45 16.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.512 ' CE2' ' HD3' ' A' ' 55' ' ' LYS . 32.7 t80 -54.28 -40.28 67.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.493 ' CD1' HD21 ' A' ' 21' ' ' LEU . 90.6 mt -60.37 -47.69 84.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.565 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -49.42 -53.68 21.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.94 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -67.88 -46.26 72.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.512 ' HD3' ' CE2' ' A' ' 51' ' ' PHE . 38.9 ttpt -49.85 -42.8 48.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.1 -44.44 71.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.89 -49.43 76.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -62.39 -50.94 69.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -61.99 93.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -97.06 110.54 23.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.4 t -88.79 42.6 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.834 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -131.48 148.2 18.87 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -34.77 13.75 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.634 2.223 . . . . 0.0 112.319 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.7 m -94.65 138.36 32.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.0 m -64.08 151.55 42.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.469 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -61.21 -56.95 14.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 110.796 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 t -101.0 146.3 27.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.71 88.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.2 p -57.08 93.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 110.793 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 t -115.09 132.08 56.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.93 172.91 45.19 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -77.44 -58.2 3.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.869 0.366 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 pmtp? -42.95 149.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.7 m -67.32 126.3 28.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -108.68 138.56 44.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.748 ' CD2' ' CD2' ' A' ' 48' ' ' HIS . 29.6 m95 -89.82 175.61 7.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 14' ' ' ARG . 1.1 t -142.5 151.67 41.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.85 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 13' ' ' SER . 14.5 tpt180 -34.19 -42.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.1 -63.45 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.414 ' HG3' ' NH1' ' A' ' 40' ' ' ARG . 1.3 mm-40 -45.63 -35.95 4.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.939 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 20' ' ' LEU . 48.2 mt-10 -65.39 -63.91 0.99 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' GLU . 15.2 mt-10 -36.16 -57.01 0.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.484 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 7.1 ptmt -63.31 -33.08 74.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 17' ' ' GLU . 34.5 tp -61.3 -53.72 53.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.592 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -53.58 -37.65 63.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.859 ' CE1' HD11 ' A' ' 26' ' ' LEU . 50.9 t-80 -68.89 -59.73 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.767 ' HA ' HD12 ' A' ' 26' ' ' LEU . 3.3 mt -56.35 -56.32 22.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -42.68 -46.09 4.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.068 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.77 -42.95 73.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.859 HD11 ' CE1' ' A' ' 22' ' ' HIS . 11.4 mt -55.05 -54.54 41.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.446 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 26.5 mtm -135.0 84.33 37.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.554 0.693 . . . . 0.0 110.874 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -8.87 24.69 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.324 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.5 p -121.38 27.01 8.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.446 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 27.5 mm100 -134.87 38.34 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.599 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 75.1 m95 -54.44 -32.72 58.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -64.85 -20.6 66.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.46 HG22 ' CD1' ' A' ' 37' ' ' ILE . 62.1 m -97.73 -38.84 9.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.563 HG23 HD13 ' A' ' 23' ' ' LEU . 74.6 mt -72.42 -29.41 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.752 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -53.44 -58.66 11.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.597 0.713 . . . . 0.0 111.099 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.752 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.4 Cg_endo -69.75 -12.9 33.85 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.689 2.259 . . . . 0.0 112.314 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.46 ' CD1' HG22 ' A' ' 33' ' ' THR . 84.4 mt -88.49 -16.31 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.7 mt -111.73 -39.39 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 130.3 -29.75 3.6 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.414 ' NH1' ' HG3' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -88.64 -175.93 5.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.376 . . . . 0.0 110.859 -179.858 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.6 p -97.64 153.41 18.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -39.49 -57.7 1.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.056 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.17 -45.19 53.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.056 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.41 ' OE1' ' CG ' ' A' ' 40' ' ' ARG . 88.8 mt-30 -62.36 -49.41 75.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 92.2 m -56.16 -54.01 50.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.813 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.599 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 28.8 tp -61.23 -55.81 27.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -51.35 -58.41 6.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.748 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 23.2 t60 -55.74 -54.05 49.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.572 ' CE1' HD21 ' A' ' 53' ' ' LEU . 33.4 t80 -46.63 -71.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -43.52 -46.06 6.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -54.96 -42.06 71.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.592 HD13 HD21 ' A' ' 21' ' ' LEU . 96.0 mt -57.94 -48.67 79.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.572 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.7 mm? -49.56 -53.28 24.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -64.92 -47.84 76.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -47.99 -43.4 29.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.15 -43.5 95.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.053 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.85 -52.19 61.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -62.46 -44.8 95.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -49.3 116.7 1.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -93.31 116.27 28.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 62' ' ' GLY . 93.5 p -54.42 142.19 27.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 61' ' ' SER . . . -36.63 -83.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 96.09 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.673 2.248 . . . . 0.0 112.317 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.0 t -66.8 110.99 3.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 61.0 p -41.49 146.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.857 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 -179.962 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -117.9 -58.7 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.896 0.379 . . . . 0.0 110.856 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.6 p -102.15 126.93 49.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.75 86.53 0.53 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -113.67 -52.52 2.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.382 . . . . 0.0 110.806 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 m -47.43 132.88 13.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.21 -163.05 13.74 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -115.5 41.6 2.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? 47.17 44.79 15.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.8 t -112.69 143.05 44.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -113.31 137.5 51.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.46 ' CZ3' HD22 ' A' ' 20' ' ' LEU . 13.5 m95 -95.77 161.99 13.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 14' ' ' ARG . 3.8 t -120.59 156.57 31.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.835 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 13' ' ' SER . 21.3 tpp180 -36.82 -41.23 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -65.13 -60.41 3.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -47.45 -37.84 12.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 20' ' ' LEU . 62.0 mt-10 -68.94 -64.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 17' ' ' GLU . 7.8 mm-40 -36.32 -56.03 0.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.648 ' HD3' HG23 ' A' ' 38' ' ' ILE . 8.1 ptmt -61.17 -34.78 75.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 17' ' ' GLU . 38.3 tp -62.07 -51.13 69.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.782 HD21 HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -57.86 -34.2 69.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.862 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.85 ' CE1' HD11 ' A' ' 26' ' ' LEU . 49.8 t-80 -68.28 -58.95 3.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.863 HD13 HG23 ' A' ' 34' ' ' ILE . 3.8 mt -55.88 -61.93 2.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 23' ' ' LEU . . . -35.08 -49.02 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -40.34 87.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.85 HD11 ' CE1' ' A' ' 22' ' ' HIS . 9.9 mt -61.84 -53.94 48.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.449 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 31.0 mtm -135.0 85.82 33.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 110.897 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -12.52 32.89 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.254 . . . . 0.0 112.293 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 64.9 p -118.98 30.04 7.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.449 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 28.6 mm100 -135.01 35.67 3.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -51.32 -40.37 58.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.87 -21.21 56.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.48 HG22 ' CD1' ' A' ' 37' ' ' ILE . 90.9 m -97.18 -37.16 10.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.863 HG23 HD13 ' A' ' 23' ' ' LEU . 94.2 mt -68.21 -30.2 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.755 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -52.74 -59.28 9.16 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.634 0.73 . . . . 0.0 111.103 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.755 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 54.0 Cg_endo -69.71 -10.86 29.65 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.722 2.281 . . . . 0.0 112.358 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.48 ' CD1' HG22 ' A' ' 33' ' ' THR . 95.3 mt -91.42 -17.77 7.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.648 HG23 ' HD3' ' A' ' 19' ' ' LYS . 14.3 mt -111.33 -37.51 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.05 -29.33 4.39 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -89.51 176.08 7.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 110.879 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.1 p -83.62 159.03 21.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.63 -39.8 58.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.81 -40.95 68.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -64.1 -48.35 76.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 85.1 m -59.64 -49.63 77.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.421 HD11 ' OE2' ' A' ' 50' ' ' GLU . 20.9 tp -63.2 -42.41 99.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -60.87 -55.66 30.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -60.04 -50.66 72.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.699 ' HA ' HD12 ' A' ' 52' ' ' LEU . 34.2 t80 -47.92 -69.0 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.421 ' OE2' HD11 ' A' ' 46' ' ' LEU . 13.8 mt-10 -41.42 -44.36 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -60.18 -36.57 77.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.782 HD13 HD21 ' A' ' 21' ' ' LEU . 47.4 mt -61.25 -43.68 98.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.636 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -54.59 -52.36 62.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -68.57 -42.33 78.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -54.7 -43.2 72.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.22 -41.86 84.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.063 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.27 -51.1 70.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -49.71 -50.62 43.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.459 ' HG2' ' N ' ' A' ' 60' ' ' ASP . 7.6 ttm105 -71.06 150.04 45.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.459 ' N ' ' HG2' ' A' ' 59' ' ' ARG . 4.4 m-20 -106.81 124.44 49.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 62' ' ' GLY . 5.4 m -118.66 106.09 12.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 61' ' ' SER . . . 34.33 -97.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.41 ' N ' ' O ' ' A' ' 61' ' ' SER . 54.2 Cg_endo -69.72 179.65 3.53 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.697 2.265 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.3 t -146.61 129.03 15.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.1 m -133.25 148.88 51.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -77.93 147.42 35.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 0.0 110.862 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -125.56 93.06 3.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.81 89.32 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.6 m -154.98 164.37 39.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -147.1 173.93 12.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.62 -114.32 0.82 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.3 tptt -104.92 -53.98 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -49.87 134.66 20.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.8 m -72.39 136.49 46.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -135.77 141.06 44.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.602 ' CZ3' HD22 ' A' ' 20' ' ' LEU . 19.6 m95 -95.78 172.76 7.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.1 m -140.19 168.13 20.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.836 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -45.35 -40.29 7.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -64.66 -63.89 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.499 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 1.6 mp0 -49.11 -34.77 14.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.428 ' O ' HD23 ' A' ' 21' ' ' LEU . 56.9 mt-10 -69.44 -63.95 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 17' ' ' GLU . 5.8 mm-40 -38.44 -57.44 1.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 1.6 ptmt -58.48 -36.0 73.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.602 HD22 ' CZ3' ' A' ' 12' ' ' TRP . 27.4 tp -61.25 -56.62 18.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.533 HD23 ' H ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -51.06 -37.36 45.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.85 ' CE1' HD11 ' A' ' 26' ' ' LEU . 49.9 t-80 -67.6 -62.61 1.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.78 HD22 HG12 ' A' ' 34' ' ' ILE . 2.9 mt -53.99 -57.95 9.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -39.18 -45.27 1.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -70.68 -42.47 70.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.85 HD11 ' CE1' ' A' ' 22' ' ' HIS . 10.1 mt -58.77 -56.12 26.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.449 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 15.9 mtm -135.01 86.97 30.73 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.547 0.689 . . . . 0.0 110.896 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.472 ' O ' ' NE1' ' A' ' 31' ' ' TRP . 53.5 Cg_endo -69.75 -37.66 8.9 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.8 p -92.42 24.28 3.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.449 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 30.7 mm100 -131.73 39.49 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.683 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 77.8 m95 -54.65 -38.35 66.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -58.84 -18.78 35.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.461 HG22 ' CD1' ' A' ' 37' ' ' ILE . 49.9 m -97.35 -35.46 10.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.78 HG12 HD22 ' A' ' 23' ' ' LEU . 85.4 mt -74.7 -20.94 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.752 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -63.06 -58.64 15.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.539 0.685 . . . . 0.0 111.079 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.752 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 54.1 Cg_endo -69.75 -11.94 31.89 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.461 ' CD1' HG22 ' A' ' 33' ' ' THR . 95.3 mt -90.68 -20.64 6.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.8 mt -107.01 -36.62 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.51 -25.37 6.6 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -91.2 176.77 6.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 110.882 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 80.9 p -88.27 146.56 25.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -38.22 -52.05 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.52 -44.64 85.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -62.62 -46.47 88.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 94.9 m -60.68 -52.82 63.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.683 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 21.8 tp -62.16 -48.67 79.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -56.71 -54.27 48.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.59 ' CE1' ' CB ' ' A' ' 12' ' ' TRP . 26.3 t-80 -60.16 -50.11 74.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.588 ' CE1' HD21 ' A' ' 53' ' ' LEU . 35.1 t80 -48.5 -70.71 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -42.18 -44.88 3.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -57.17 -40.14 76.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.8 mt -59.23 -44.59 92.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.588 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -52.73 -52.42 56.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -67.16 -45.4 77.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -51.71 -37.52 51.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.28 -33.54 73.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -84.97 -43.05 14.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -63.67 -50.0 70.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -46.35 157.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.6 t0 66.5 41.82 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.9 t -98.6 -51.01 4.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -132.07 86.32 0.29 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.452 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 122.38 9.06 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.652 2.235 . . . . 0.0 112.349 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.0 p -121.73 -43.66 2.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.7 p 38.25 42.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.504 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -49.27 -48.93 45.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.897 0.38 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -147.69 162.34 39.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.806 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.17 69.54 2.21 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -131.39 96.78 4.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 110.846 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.8 p -131.51 157.92 42.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.97 -49.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm -56.19 -58.82 6.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -110.92 176.54 4.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 62.9 m -120.79 100.56 7.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.111 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.18 140.05 37.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.703 ' CD2' ' CD2' ' A' ' 48' ' ' HIS . 34.9 m95 -84.84 151.01 24.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.95 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.3 m -116.48 163.51 15.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -42.75 -41.3 3.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.71 -59.61 3.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.474 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 54.2 mt-10 -45.33 -38.48 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.428 ' O ' HD23 ' A' ' 21' ' ' LEU . 47.0 mt-10 -70.3 -64.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -39.3 -55.1 1.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.477 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 5.5 ptmt -60.49 -34.4 74.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.665 HD23 HD11 ' A' ' 52' ' ' LEU . 29.5 tp -62.9 -55.15 28.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.923 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -53.03 -38.09 62.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.813 ' CE1' HD11 ' A' ' 26' ' ' LEU . 53.1 t-80 -66.53 -58.54 4.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.804 ' HA ' HD12 ' A' ' 26' ' ' LEU . 3.4 mt -54.63 -63.03 1.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 23' ' ' LEU . . . -34.91 -48.71 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -65.76 -43.04 90.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.813 HD11 ' CE1' ' A' ' 22' ' ' HIS . 9.6 mt -58.38 -53.4 58.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.452 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 25.9 mtm -134.98 82.76 42.01 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.565 0.698 . . . . 0.0 110.897 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -0.98 7.73 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.351 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.5 p -130.07 26.48 5.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.452 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 26.1 mm100 -133.54 37.49 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 76.7 m95 -51.88 -41.49 61.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -59.29 -18.65 39.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.409 ' C ' ' HD2' ' A' ' 36' ' ' PRO . 25.0 m -97.6 -38.06 9.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.792 HG23 HD13 ' A' ' 23' ' ' LEU . 66.8 mt -70.53 -28.14 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.731 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -53.77 -58.25 14.0 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 111.143 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.731 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.4 Cg_endo -69.77 -11.14 30.22 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.687 2.258 . . . . 0.0 112.322 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 94.0 mt -91.72 -17.58 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.4 mt -110.92 -33.5 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.74 -30.06 5.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.93 178.69 6.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 65.7 p -90.53 154.9 19.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.42 -42.21 6.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.06 -55.03 29.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.073 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -55.45 -42.1 73.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 92.2 m -63.43 -50.73 68.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.5 tp -61.95 -56.36 19.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -50.11 -53.25 28.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.703 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 44.5 t60 -60.32 -55.32 35.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.892 ' HA ' HD12 ' A' ' 52' ' ' LEU . 37.2 t80 -46.36 -66.49 0.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.417 ' HA ' HD23 ' A' ' 53' ' ' LEU . 6.9 mm-40 -43.55 -46.72 7.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -56.66 -37.28 70.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.923 HD13 HD21 ' A' ' 21' ' ' LEU . 18.1 mt -61.12 -43.8 98.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.574 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.4 mm? -54.5 -53.19 57.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -65.63 -40.12 92.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.2 tttm -59.58 -45.91 90.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.44 -47.45 48.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.25 -43.92 79.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -54.87 -49.8 70.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -70.33 85.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -99.38 41.66 1.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 t -119.08 -60.92 1.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 124.14 143.93 6.33 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 138.77 38.71 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.3 t -129.33 -58.43 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 m -131.87 140.23 49.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.826 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.2 p -132.38 -47.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.842 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 m -120.95 169.66 10.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.89 -89.62 1.56 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.467 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.5 p -116.69 148.92 40.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 110.864 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 p -83.61 141.18 31.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.44 -151.65 7.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -89.37 133.86 34.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.91 0.385 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -102.09 124.25 47.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.772 HG22 HH12 ' A' ' 40' ' ' ARG . 9.6 m -114.15 38.3 3.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.183 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -53.26 146.08 12.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.758 ' CZ3' HD22 ' A' ' 20' ' ' LEU . 35.2 m95 -81.07 147.05 30.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 14' ' ' ARG . 4.0 m -112.98 149.99 32.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 13' ' ' SER . 6.5 tpp85 -34.05 -39.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -66.83 -61.35 2.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.528 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 20.1 mt-10 -47.13 -37.49 9.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.424 ' O ' HD23 ' A' ' 21' ' ' LEU . 48.3 mt-10 -68.52 -65.33 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -38.98 -57.59 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.684 ' HD3' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -57.69 -35.62 70.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.758 HD22 ' CZ3' ' A' ' 12' ' ' TRP . 27.5 tp -61.64 -54.5 41.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.511 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -54.19 -34.92 61.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.843 ' CE1' HD11 ' A' ' 26' ' ' LEU . 45.6 t-80 -71.03 -65.54 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.747 ' HA ' HD12 ' A' ' 26' ' ' LEU . 2.9 mt -54.52 -53.11 58.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.86 -48.56 11.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.36 -39.83 77.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.843 HD11 ' CE1' ' A' ' 22' ' ' HIS . 15.7 mt -57.03 -52.76 63.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.452 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 33.3 mtm -135.03 86.35 32.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.605 0.717 . . . . 0.0 110.869 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -9.56 26.41 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.356 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.3 p -121.61 28.89 7.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.452 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 29.1 mm100 -134.96 35.56 3.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.636 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 76.0 m95 -52.18 -36.91 53.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -64.42 -20.92 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.6 m -97.45 -35.61 10.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.494 HG12 HD22 ' A' ' 23' ' ' LEU . 97.3 mt -72.56 -30.59 34.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.742 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -52.12 -58.5 11.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.564 0.697 . . . . 0.0 111.086 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.742 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.9 Cg_endo -69.75 -7.48 21.15 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.668 2.246 . . . . 0.0 112.342 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 92.4 mt -95.47 -20.58 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.684 HG23 ' HD3' ' A' ' 19' ' ' LYS . 28.2 mt -107.12 -37.23 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.166 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.82 28.53 3.64 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.522 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.772 HH12 HG22 ' A' ' 10' ' ' THR . 40.3 mtp85 -143.31 -178.67 5.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.926 0.393 . . . . 0.0 110.838 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 44' ' ' GLN . 23.5 p -90.54 131.85 36.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.119 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 41' ' ' THR . . . -33.88 -43.8 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.8 84.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.079 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 41' ' ' THR . 10.6 mt-30 -59.85 -52.56 64.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 88.3 m -54.62 -50.51 67.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.636 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 23.8 tp -61.44 -55.06 35.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -53.72 -60.82 2.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.747 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 70.1 t60 -53.92 -52.06 61.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.589 ' CE1' HD21 ' A' ' 53' ' ' LEU . 28.6 t80 -43.69 -72.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -43.22 -48.29 6.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.583 ' CE2' ' HD3' ' A' ' 55' ' ' LYS . 47.6 t80 -52.86 -38.24 61.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.412 HD13 HD21 ' A' ' 21' ' ' LEU . 84.9 mt -62.44 -42.46 99.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.589 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.7 mm? -56.19 -51.47 67.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -70.33 -39.36 74.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.808 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.583 ' HD3' ' CE2' ' A' ' 51' ' ' PHE . 19.4 ttpp -53.85 -43.94 69.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.33 -46.17 83.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.52 -49.45 77.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -47.45 -45.46 25.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -61.5 156.37 19.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.91 123.72 32.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.0 t -64.41 -55.15 22.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -159.43 -155.14 7.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -34.21 15.08 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 61.9 m -97.7 171.39 8.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.6 p -104.28 -47.61 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.826 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.491 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.4 p -121.68 99.03 6.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.94 0.4 . . . . 0.0 110.837 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -57.83 175.3 0.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.21 99.53 2.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p -145.69 151.36 37.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.847 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m -84.84 -52.75 5.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.55 -137.5 2.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.517 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.17 100.39 4.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -142.54 142.82 32.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.405 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 24.0 m -76.63 135.8 39.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -118.73 128.94 54.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.566 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 23.9 m95 -83.23 141.67 31.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 14' ' ' ARG . 39.5 m -109.25 160.34 16.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 13' ' ' SER . 6.4 ttp-105 -33.91 -64.28 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -42.97 -61.86 1.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -48.88 -39.85 27.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 20' ' ' LEU . 52.0 mt-10 -68.32 -65.27 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 17' ' ' GLU . 5.3 mm-40 -37.8 -56.5 1.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.752 ' HD3' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -60.14 -34.06 73.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.478 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 33.9 tp -62.86 -53.55 52.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.858 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -54.97 -36.12 65.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.818 ' CE1' HD11 ' A' ' 26' ' ' LEU . 47.9 t-80 -68.58 -59.25 3.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.913 HD13 HG23 ' A' ' 34' ' ' ILE . 4.3 mt -56.65 -59.65 4.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -37.85 -47.6 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -68.16 -41.05 82.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.818 HD11 ' CE1' ' A' ' 22' ' ' HIS . 9.8 mt -60.3 -54.0 50.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.443 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 31.5 mtm -135.03 85.31 34.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.586 0.707 . . . . 0.0 110.882 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -10.12 27.74 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.305 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.7 p -120.86 29.16 7.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.154 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.443 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 27.0 mm100 -134.8 38.24 3.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.468 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 73.3 m95 -53.73 -37.42 63.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 ttm-85 -62.44 -21.11 65.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.453 HG22 ' CD1' ' A' ' 37' ' ' ILE . 74.6 m -97.66 -36.7 10.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.913 HG23 HD13 ' A' ' 23' ' ' LEU . 82.7 mt -72.76 -26.6 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.754 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -54.33 -59.3 10.54 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.575 0.702 . . . . 0.0 111.103 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.754 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 54.1 Cg_endo -69.71 -14.39 36.18 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.721 2.281 . . . . 0.0 112.381 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.453 ' CD1' HG22 ' A' ' 33' ' ' THR . 90.2 mt -89.11 -15.11 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.752 HG23 ' HD3' ' A' ' 19' ' ' LYS . 17.2 mt -112.64 -35.01 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.28 -32.01 3.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.38 179.59 5.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.897 0.379 . . . . 0.0 110.864 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.7 p -84.09 168.23 16.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.186 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.61 -44.43 93.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.9 -40.64 91.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -63.48 -53.87 45.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 83.9 m -52.79 -42.42 65.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.468 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 20.9 tp -70.6 -45.53 65.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -58.3 -55.51 34.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 12' ' ' TRP . 68.2 t60 -59.67 -54.92 40.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.772 ' HA ' HD12 ' A' ' 52' ' ' LEU . 31.5 t80 -43.68 -67.89 0.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -44.14 -48.65 9.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -54.04 -36.43 63.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.858 HD13 HD21 ' A' ' 21' ' ' LEU . 25.9 mt -62.82 -44.99 94.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.614 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -53.36 -52.82 58.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -70.6 -39.08 74.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.8 tttt -56.76 -45.69 81.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.13 -41.83 62.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.36 -47.39 78.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.087 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 59' ' ' ARG . 40.5 mt-30 -56.68 -45.59 81.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 58' ' ' GLN . 43.3 ttm180 -34.55 117.29 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -100.18 90.34 4.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.5 p -112.26 -45.0 3.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -90.42 -159.84 35.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.526 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 153.13 69.27 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.66 2.24 . . . . 0.0 112.365 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.2 t -56.21 101.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.847 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.4 m -146.33 177.46 9.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.52 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 p -131.02 158.38 40.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.843 0.354 . . . . 0.0 110.85 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 m -123.98 149.27 46.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.796 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.71 59.45 0.78 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.545 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 t -143.34 164.81 29.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.835 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 m -42.03 162.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.24 43.24 0.57 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.66 137.12 52.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.344 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -155.6 133.35 11.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.477 HG23 ' NH2' ' A' ' 40' ' ' ARG . 55.6 m -89.3 86.48 6.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -117.75 123.19 45.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.873 ' CZ3' HD22 ' A' ' 20' ' ' LEU . 20.4 m95 -106.96 154.71 20.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 15' ' ' GLU . 3.6 t -112.32 152.37 28.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 13' ' ' SER . 11.5 tpp180 -34.77 -33.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 13' ' ' SER . 7.1 mt-10 -74.88 -70.2 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 15' ' ' GLU . 2.6 mp0 -34.41 -40.29 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' LEU . 54.5 mt-10 -66.18 -61.2 2.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 17' ' ' GLU . 51.0 mt-10 -37.96 -58.95 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.474 ' HD3' HG23 ' A' ' 38' ' ' ILE . 1.8 ptmt -57.59 -32.95 67.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.873 HD22 ' CZ3' ' A' ' 12' ' ' TRP . 15.8 tp -65.29 -55.54 17.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.916 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.509 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -53.19 -32.87 50.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.829 ' CE1' HD11 ' A' ' 26' ' ' LEU . 47.1 t-80 -72.43 -57.91 3.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.791 HD13 HG23 ' A' ' 34' ' ' ILE . 4.9 mt -57.64 -55.44 34.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -42.39 -48.28 5.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -67.77 -43.18 80.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.829 HD11 ' CE1' ' A' ' 22' ' ' HIS . 10.3 mt -55.92 -53.76 52.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.451 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 30.4 mtm -134.31 83.99 42.6 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.561 0.696 . . . . 0.0 110.887 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.07 3.85 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.63 2.22 . . . . 0.0 112.344 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.5 p -135.02 28.45 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.451 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 29.8 mm100 -134.68 38.02 3.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.611 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 78.2 m95 -52.6 -35.6 54.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -60.98 -21.42 63.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.572 HG22 ' CD1' ' A' ' 37' ' ' ILE . 92.8 m -97.75 -37.9 9.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.791 HG23 HD13 ' A' ' 23' ' ' LEU . 44.5 mt -70.57 -25.83 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.732 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -58.78 -58.3 20.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.594 0.711 . . . . 0.0 111.121 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.732 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.3 Cg_endo -69.8 -14.95 36.69 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.289 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.572 ' CD1' HG22 ' A' ' 33' ' ' THR . 87.8 mt -86.45 -23.85 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.162 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.474 HG23 ' HD3' ' A' ' 19' ' ' LYS . 10.9 mt -103.34 -37.9 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.127 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.76 -34.15 2.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.492 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.568 ' HD3' ' CZ2' ' A' ' 12' ' ' TRP . 16.9 mtp85 -92.19 177.75 6.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.368 . . . . 0.0 110.881 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.8 p -82.58 170.97 14.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.53 -50.28 70.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.36 -69.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -37.56 -47.6 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 91.5 m -61.11 -58.66 7.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.611 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 19.2 tp -52.52 -55.45 22.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -42.95 -60.91 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.694 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 75.4 t60 -56.65 -54.09 50.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.613 ' CE1' HD21 ' A' ' 53' ' ' LEU . 31.3 t80 -44.06 -68.97 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.445 ' HA ' HD23 ' A' ' 53' ' ' LEU . 13.2 mm-40 -44.17 -49.08 9.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -52.6 -41.24 63.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.503 HD13 HD21 ' A' ' 21' ' ' LEU . 83.9 mt -58.52 -49.01 78.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.613 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -47.78 -54.37 12.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -65.47 -46.46 79.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -51.0 -45.54 61.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.55 -47.41 63.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.77 -46.03 92.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -53.14 -43.98 67.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -51.67 -45.75 63.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -45.39 113.89 0.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.2 t -94.12 143.78 26.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.51 -64.49 1.89 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.468 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.468 ' O ' ' C ' ' A' ' 64' ' ' SER . 53.5 Cg_endo -69.78 4.33 2.26 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.716 2.277 . . . . 0.0 112.326 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 63' ' ' PRO . 82.7 p -32.97 -56.95 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.3 t -64.83 141.58 58.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.828 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.49 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.8 p -53.41 167.96 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.852 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.2 t -87.0 -56.74 3.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.29 79.28 1.19 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.53 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 t -98.27 86.18 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.927 0.394 . . . . 0.0 110.861 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 t -49.08 114.36 0.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.45 -140.62 11.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -78.15 161.24 27.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -103.98 127.79 51.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.477 HG23 HH21 ' A' ' 40' ' ' ARG . 87.0 m -94.93 95.65 8.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -115.56 127.02 54.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.617 ' CD2' ' CD2' ' A' ' 48' ' ' HIS . 21.1 m95 -98.78 162.27 13.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 14' ' ' ARG . 2.1 t -123.98 153.99 40.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 13' ' ' SER . 18.4 ttt180 -36.36 -37.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -67.96 -63.77 0.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 16.5 mt-10 -50.46 -37.8 40.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' LEU . 34.5 mt-10 -70.36 -61.89 1.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 17' ' ' GLU . 4.7 mm-40 -37.61 -56.43 1.04 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.481 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -59.06 -35.96 74.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.491 HD22 ' CZ3' ' A' ' 12' ' ' TRP . 30.9 tp -62.39 -54.94 33.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.94 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.767 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -53.29 -38.58 63.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.76 ' CE1' HD11 ' A' ' 26' ' ' LEU . 49.2 t-80 -64.87 -57.32 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.854 HD13 HG23 ' A' ' 34' ' ' ILE . 3.7 mt -57.09 -64.45 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 23' ' ' LEU . . . -34.29 -47.6 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -66.75 -42.35 86.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.812 HD12 ' HA ' ' A' ' 23' ' ' LEU . 9.5 mt -59.4 -54.04 51.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.958 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.456 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 27.1 mtm -135.0 84.53 37.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.578 0.704 . . . . 0.0 110.88 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.41 23.52 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.7 2.267 . . . . 0.0 112.354 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 63.7 p -121.75 26.65 8.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.456 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 29.3 mm100 -134.33 36.22 3.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.485 ' CE2' HD13 ' A' ' 46' ' ' LEU . 77.8 m95 -52.18 -40.08 60.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -59.67 -18.53 42.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.824 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 62.5 m -97.38 -35.3 10.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.854 HG23 HD13 ' A' ' 23' ' ' LEU . 90.5 mt -71.75 -33.35 48.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.716 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -50.06 -57.45 12.6 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.569 0.7 . . . . 0.0 111.083 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.716 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 54.0 Cg_endo -69.78 -11.71 31.38 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.656 2.237 . . . . 0.0 112.365 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 95.9 mt -90.95 -17.94 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.8 mt -110.23 -34.91 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 125.33 -31.77 4.13 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.563 ' HD3' ' CZ2' ' A' ' 12' ' ' TRP . 16.3 mtt85 -91.94 172.28 8.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.923 0.392 . . . . 0.0 110.846 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 50.4 p -79.84 162.23 25.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.48 -39.74 70.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.072 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.21 -49.99 72.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -61.16 -46.66 89.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.4 m -62.46 -53.51 53.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.485 HD13 ' CE2' ' A' ' 31' ' ' TRP . 25.9 tp -59.46 -50.03 75.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -53.91 -54.25 41.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.617 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 74.6 t60 -59.52 -53.7 55.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.584 ' HA ' HD12 ' A' ' 52' ' ' LEU . 31.7 t80 -43.44 -67.74 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.959 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -44.96 -49.19 11.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -52.46 -37.7 57.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.767 HD13 HD21 ' A' ' 21' ' ' LEU . 47.2 mt -61.79 -43.95 97.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.565 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.5 mm? -54.77 -52.16 63.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -65.78 -43.68 88.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -53.34 -48.92 68.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.16 -47.14 81.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.75 -45.24 49.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -56.63 -43.16 79.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.0 ttp85 -54.12 117.38 3.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -118.0 130.11 55.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.4 m -82.0 177.58 8.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.41 145.81 1.07 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.456 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 172.86 11.84 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.678 2.252 . . . . 0.0 112.407 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.2 t -134.31 125.98 28.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.4 m 52.95 42.1 32.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.504 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.0 p -50.01 -43.51 50.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.893 0.378 . . . . 0.0 110.831 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 m -159.4 136.08 9.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.72 155.48 27.95 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.3 t -64.73 -61.59 2.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.836 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -140.95 130.81 24.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.855 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.87 119.84 3.83 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -123.2 101.76 7.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -113.15 156.87 22.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.7 m -130.57 102.69 6.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -90.13 131.93 35.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.542 ' CE3' ' HB3' ' A' ' 16' ' ' GLU . 25.8 m95 -90.29 154.05 20.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.4 t -118.1 159.36 23.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.94 -44.34 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -61.95 -61.41 2.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.542 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 34.3 mt-10 -45.31 -40.11 7.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 20' ' ' LEU . 37.6 mt-10 -68.51 -66.45 0.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 17' ' ' GLU . 31.2 mm-40 -36.84 -55.58 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.892 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.725 ' HD3' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -61.52 -35.13 76.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.512 HD22 ' CZ3' ' A' ' 12' ' ' TRP . 40.5 tp -61.48 -52.48 64.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.802 HD21 HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -55.75 -36.92 67.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.776 ' CD2' HD11 ' A' ' 26' ' ' LEU . 81.3 t60 -65.67 -56.34 12.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.769 HD13 HG23 ' A' ' 34' ' ' ILE . 5.2 mt -62.62 -60.34 3.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -38.07 -44.93 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.62 -42.92 67.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.776 HD11 ' CD2' ' A' ' 22' ' ' HIS . 9.3 mt -57.97 -54.03 51.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.585 ' O ' HD11 ' A' ' 34' ' ' ILE . 30.5 mtm -134.74 86.84 32.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.545 0.688 . . . . 0.0 110.848 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -16.6 37.78 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.645 2.23 . . . . 0.0 112.391 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.3 p -113.58 28.32 8.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.453 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 30.6 mm100 -135.06 39.96 2.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.476 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 76.2 m95 -54.95 -37.33 66.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -60.04 -21.37 61.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.632 HG22 ' CD1' ' A' ' 37' ' ' ILE . 85.8 m -97.74 -37.32 9.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.769 HG23 HD13 ' A' ' 23' ' ' LEU . 43.6 mt -69.48 -24.26 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.751 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -61.42 -58.83 16.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.558 0.694 . . . . 0.0 111.059 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.751 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.8 Cg_endo -69.72 -13.69 35.14 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.385 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.632 ' CD1' HG22 ' A' ' 33' ' ' THR . 96.1 mt -89.65 -23.7 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.725 HG23 ' HD3' ' A' ' 19' ' ' LYS . 18.0 mt -103.69 -35.06 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.87 -30.58 4.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.5 179.74 5.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 110.903 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 82.1 p -88.06 156.84 19.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -49.04 -43.3 40.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.059 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.05 -44.24 89.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -62.35 -45.24 94.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 95.3 m -62.91 -51.38 67.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.476 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 16.6 tp -61.97 -50.74 70.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -53.96 -54.12 43.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -61.48 -55.21 33.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.867 ' HA ' HD12 ' A' ' 52' ' ' LEU . 36.8 t80 -44.47 -67.01 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -44.44 -47.24 9.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -56.06 -36.93 68.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.867 HD12 ' HA ' ' A' ' 49' ' ' TYR . 20.7 mt -61.58 -49.51 76.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.605 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.7 mm? -48.26 -51.72 24.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -66.46 -45.46 79.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -52.86 -43.64 66.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.45 -40.12 81.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.07 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.88 -49.51 74.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -61.48 -44.42 97.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -42.54 124.26 2.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -50.98 142.96 11.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.9 t 51.9 42.26 30.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.95 145.33 46.05 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 148.93 66.01 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.664 2.243 . . . . 0.0 112.34 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.4 t 65.77 42.49 3.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.8 m -133.15 155.05 50.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.523 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m 48.76 42.1 19.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.882 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -110.81 83.72 1.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.03 -56.7 0.19 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t 51.7 42.19 29.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.947 0.404 . . . . 0.0 110.906 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 t -60.06 126.71 28.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.68 -92.87 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.446 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -151.25 153.8 35.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -150.53 116.75 5.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.4 m -59.7 115.5 3.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -120.03 139.59 52.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.573 ' CD2' ' CD2' ' A' ' 48' ' ' HIS . 26.1 m95 -78.81 175.23 10.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.5 t -130.59 172.11 12.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -62.22 -22.35 65.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -85.41 -48.54 8.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -54.07 -34.89 61.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 20' ' ' LEU . 54.1 mt-10 -66.05 -61.46 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 17' ' ' GLU . 20.8 mt-10 -35.35 -57.72 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.625 ' HD3' HG23 ' A' ' 38' ' ' ILE . 6.7 ptmt -61.8 -34.36 75.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 17' ' ' GLU . 35.4 tp -61.02 -52.28 65.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.541 HD21 HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -55.78 -34.91 65.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.838 ' CE1' HD11 ' A' ' 26' ' ' LEU . 48.3 t-80 -70.72 -62.54 1.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.774 HD13 HG23 ' A' ' 34' ' ' ILE . 4.0 mt -53.79 -53.42 52.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.11 -47.69 8.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.072 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -68.38 -40.89 81.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.838 HD11 ' CE1' ' A' ' 22' ' ' HIS . 11.9 mt -58.47 -53.42 58.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.932 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.454 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 32.3 mtm -135.01 85.02 35.58 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.623 0.725 . . . . 0.0 110.842 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -6.22 18.09 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 55.6 p -125.34 27.56 6.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.454 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 29.7 mm100 -134.97 38.15 3.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -52.0 -39.35 59.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -57.92 -20.05 34.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.4 ' C ' ' HD2' ' A' ' 36' ' ' PRO . 91.4 m -97.54 -35.59 10.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.774 HG23 HD13 ' A' ' 23' ' ' LEU . 92.5 mt -73.38 -21.09 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.715 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -61.03 -57.5 25.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.572 0.701 . . . . 0.0 111.142 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.715 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.2 Cg_endo -69.82 -13.28 34.31 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.653 2.235 . . . . 0.0 112.28 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.9 mt -87.65 -24.64 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.113 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.625 HG23 ' HD3' ' A' ' 19' ' ' LYS . 9.4 mt -103.51 -39.58 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 129.92 -30.33 3.56 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.507 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.71 -176.9 4.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 110.889 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.8 p -90.85 158.23 16.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.06 -53.1 17.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.91 -45.5 71.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -61.81 -52.22 65.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.413 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 99.1 m -52.36 -46.32 66.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.8 tp -64.38 -51.34 63.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -55.14 -53.79 51.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.573 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 55.0 t60 -60.87 -53.14 60.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.509 ' CE1' HD21 ' A' ' 53' ' ' LEU . 31.8 t80 -46.89 -68.88 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -44.95 -48.57 11.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -50.6 -40.25 52.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.541 HD13 HD21 ' A' ' 21' ' ' LEU . 96.5 mt -60.7 -44.56 96.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.509 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -53.76 -51.39 63.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -68.93 -41.51 78.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -57.61 -33.9 68.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.49 -29.2 61.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.94 -49.17 12.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -62.78 -48.44 79.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -50.37 172.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.0 t70 64.28 41.75 5.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -140.75 156.31 46.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 177.19 175.17 44.25 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.445 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -48.96 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.638 2.225 . . . . 0.0 112.346 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.2 m -101.89 92.52 4.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.6 t -78.17 152.21 32.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.506 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 m -89.65 -59.26 2.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.85 0.357 . . . . 0.0 110.889 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -129.98 118.72 22.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.29 156.21 27.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 t -95.04 143.13 26.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 110.843 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.7 p -120.85 91.92 3.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.789 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.22 -137.23 13.23 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -62.71 125.09 22.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.91 0.386 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -88.54 114.72 25.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.557 ' O ' HG22 ' A' ' 10' ' ' THR . 18.9 m -82.64 40.67 0.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -57.21 150.16 18.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.695 ' CD2' ' CD2' ' A' ' 48' ' ' HIS . 28.4 m95 -89.91 -177.23 5.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 t -149.03 169.97 19.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.867 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -49.55 -42.09 43.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -66.08 -62.73 1.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -41.77 -41.47 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 20' ' ' LEU . 68.3 mt-10 -63.32 -63.34 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' GLU . 13.2 mt-10 -36.49 -59.87 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.602 ' HD3' HG23 ' A' ' 38' ' ' ILE . 6.2 ptmt -59.34 -32.92 70.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.488 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 24.6 tp -62.7 -53.18 58.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.509 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -54.92 -34.07 62.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.757 ' CE1' HD11 ' A' ' 26' ' ' LEU . 47.6 t-80 -71.47 -62.84 1.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.755 ' HA ' HD12 ' A' ' 26' ' ' LEU . 3.3 mt -56.35 -53.36 58.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.22 -47.93 12.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.39 -42.66 82.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.757 HD11 ' CE1' ' A' ' 22' ' ' HIS . 11.9 mt -55.92 -53.23 59.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.454 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 29.9 mtm -135.01 82.92 41.38 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.58 0.705 . . . . 0.0 110.905 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -2.07 9.51 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.9 p -127.18 23.38 6.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.454 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 26.2 mm100 -130.26 36.88 3.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.822 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 79.8 m95 -51.65 -38.15 53.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -63.94 -21.41 66.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.6 m -97.63 -35.12 10.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.535 ' HA ' HD12 ' A' ' 37' ' ' ILE . 94.6 mt -76.44 -25.01 16.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.706 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -52.84 -57.12 17.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.569 0.699 . . . . 0.0 111.056 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.706 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 54.0 Cg_endo -69.76 -8.56 23.91 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.691 2.26 . . . . 0.0 112.326 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 34' ' ' ILE . 93.0 mt -92.76 -19.54 6.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.602 HG23 ' HD3' ' A' ' 19' ' ' LYS . 12.5 mt -110.39 -37.88 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.22 -26.42 5.82 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.21 174.43 7.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.4 p -83.06 148.6 27.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.497 ' HB1' ' CB ' ' A' ' 31' ' ' TRP . . . -41.6 -52.37 3.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.064 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.94 -42.65 90.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.103 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -62.63 -47.04 85.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.4 m -61.16 -44.79 96.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.822 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 25.4 tp -67.28 -46.16 74.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.35 -50.88 69.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.695 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 28.7 t60 -65.33 -50.59 65.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.523 ' CE1' HD21 ' A' ' 53' ' ' LEU . 29.6 t80 -49.27 -67.21 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -45.26 -45.77 12.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -54.57 -39.74 68.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.436 ' CD1' HD21 ' A' ' 21' ' ' LEU . 78.9 mt -59.28 -45.43 91.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.523 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.2 mm? -52.75 -52.71 55.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -68.03 -41.73 81.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -52.59 -44.89 66.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.05 -44.01 51.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.074 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.33 -52.9 42.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -50.77 -46.71 59.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -54.87 132.25 46.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 59.67 43.52 15.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.0 t -104.52 114.5 28.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.6 175.33 50.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 147.29 62.44 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.304 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.3 m -115.68 -58.94 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.0 m -103.18 102.21 12.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.546 -0.222 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.6 p -67.9 89.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.919 0.39 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.5 m -59.77 102.76 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.822 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.46 -143.24 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 t -162.8 118.18 1.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.811 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.0 p -96.43 159.78 14.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.06 55.54 1.56 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -68.89 132.94 47.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -44.65 109.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.472 ' O ' HG22 ' A' ' 10' ' ' THR . 8.9 m 69.48 40.17 1.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -42.36 151.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.733 ' CD2' ' CD2' ' A' ' 48' ' ' HIS . 35.1 m95 -93.16 151.49 19.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.4 t -117.55 158.25 24.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -41.5 -37.78 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -65.52 -61.99 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.444 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 1.7 mp0 -49.22 -38.61 26.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 20' ' ' LEU . 53.3 mt-10 -68.81 -65.1 0.75 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' GLU . 5.0 mm-40 -36.58 -56.31 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.791 ' HD3' HG23 ' A' ' 38' ' ' ILE . 2.7 ptmm? -61.96 -36.82 82.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 17' ' ' GLU . 41.6 tp -57.93 -53.18 61.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.514 HD23 ' H ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -54.3 -37.72 65.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.873 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.871 ' CE1' HD11 ' A' ' 26' ' ' LEU . 53.7 t-80 -71.72 -60.69 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.745 ' HA ' HD12 ' A' ' 26' ' ' LEU . 4.0 mt -49.05 -52.41 25.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.48 -45.27 9.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -68.94 -42.59 76.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.871 HD11 ' CE1' ' A' ' 22' ' ' HIS . 8.9 mt -58.31 -55.36 35.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.447 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 26.9 mtm -134.98 85.51 34.56 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.515 0.674 . . . . 0.0 110.878 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -16.67 37.45 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.4 p -115.27 29.4 8.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.447 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 29.6 mm100 -134.78 37.87 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -52.37 -37.67 56.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -60.4 -20.66 60.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.583 HG22 ' CD1' ' A' ' 37' ' ' ILE . 89.4 m -97.77 -39.0 9.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.699 HG23 HD13 ' A' ' 23' ' ' LEU . 74.5 mt -71.91 -21.56 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.139 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.731 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -62.22 -58.61 16.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.583 0.706 . . . . 0.0 111.154 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.731 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.8 Cg_endo -69.76 -16.67 37.67 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.736 2.291 . . . . 0.0 112.312 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.583 ' CD1' HG22 ' A' ' 33' ' ' THR . 78.5 mt -85.57 -22.97 7.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.791 HG23 ' HD3' ' A' ' 19' ' ' LYS . 12.9 mt -102.35 -36.35 4.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.58 -29.41 4.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.43 ' NH1' ' HG2' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -92.82 173.14 7.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.926 0.393 . . . . 0.0 110.869 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 57.6 p -81.81 160.51 23.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.03 -50.98 25.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.125 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.14 -40.46 93.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -63.8 -42.64 97.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 90.7 m -66.34 -47.3 73.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 18.6 tp -65.67 -47.79 74.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -61.87 -52.02 65.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.733 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 58.7 t60 -62.1 -49.9 74.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.635 ' CE1' HD21 ' A' ' 53' ' ' LEU . 22.3 t80 -45.47 -69.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.496 ' HA ' HD23 ' A' ' 53' ' ' LEU . 7.2 mm-40 -44.61 -50.55 9.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 51' ' ' PHE . 3.0 t80 -48.26 -41.55 28.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.495 HD13 HD21 ' A' ' 21' ' ' LEU . 93.5 mt -59.72 -46.78 88.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.635 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.5 mm? -51.9 -55.54 19.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -60.5 -43.04 97.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.423 ' HA ' ' CD ' ' A' ' 58' ' ' GLN . 18.5 tttm -56.25 -42.04 76.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.23 -37.88 86.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.067 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.04 -48.71 56.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.423 ' CD ' ' HA ' ' A' ' 55' ' ' LYS . 4.8 pt20 -65.1 -46.36 81.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -62.89 125.41 23.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.78 -54.78 43.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.0 m -62.67 166.08 5.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.96 83.9 0.52 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 177.86 5.15 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.686 2.258 . . . . 0.0 112.356 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 77.7 p -91.02 121.21 32.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 81.9 p -62.5 90.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -134.47 167.46 20.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.342 . . . . 0.0 110.875 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.1 p -81.69 115.6 21.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.56 -118.65 1.52 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.8 p -73.16 109.05 6.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.914 0.388 . . . . 0.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.1 t -60.52 -59.73 4.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.95 -88.55 0.31 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.511 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.73 155.33 16.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -115.05 124.53 51.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.6 m -159.14 112.65 2.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -101.62 133.08 46.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.691 ' CZ3' HD22 ' A' ' 20' ' ' LEU . 12.9 m95 -83.42 147.99 27.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.97 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -96.71 151.66 19.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.899 -179.839 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 13' ' ' SER . 47.9 ttt-85 -37.99 -42.1 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.62 -50.53 57.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.517 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 35.8 mt-10 -51.81 -38.19 54.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.422 ' O ' HD23 ' A' ' 21' ' ' LEU . 63.2 mt-10 -70.73 -63.76 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -39.31 -55.32 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.647 ' HD3' HG23 ' A' ' 38' ' ' ILE . 8.4 ptmt -59.32 -35.08 73.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.691 HD22 ' CZ3' ' A' ' 12' ' ' TRP . 35.0 tp -63.18 -55.0 28.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.861 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -53.39 -35.0 59.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.834 ' CE1' HD11 ' A' ' 26' ' ' LEU . 49.6 t-80 -70.55 -61.94 1.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.714 HD13 HG23 ' A' ' 34' ' ' ILE . 4.3 mt -52.85 -52.14 58.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.86 -46.63 15.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.56 -40.94 80.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.834 HD11 ' CE1' ' A' ' 22' ' ' HIS . 10.1 mt -58.59 -53.47 57.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.451 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 33.3 mtm -135.02 83.09 40.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.597 0.713 . . . . 0.0 110.879 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 1.98 3.95 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.66 2.24 . . . . 0.0 112.309 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 78.5 p -131.34 22.1 4.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.148 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.451 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 28.8 mm100 -130.0 37.81 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -51.39 -41.61 60.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -58.24 -20.66 43.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.576 HG22 ' CD1' ' A' ' 37' ' ' ILE . 64.4 m -97.53 -36.23 10.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.714 HG23 HD13 ' A' ' 23' ' ' LEU . 96.9 mt -69.94 -20.91 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.157 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.756 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -61.65 -59.22 14.05 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.584 0.706 . . . . 0.0 111.084 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.756 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.2 Cg_endo -69.79 -13.93 35.28 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.671 2.247 . . . . 0.0 112.338 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.576 ' CD1' HG22 ' A' ' 33' ' ' THR . 92.7 mt -88.7 -17.48 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.647 HG23 ' HD3' ' A' ' 19' ' ' LYS . 17.1 mt -109.53 -36.39 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.87 -27.51 5.4 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.503 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.77 178.3 5.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.896 0.379 . . . . 0.0 110.86 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.7 p -84.21 160.03 20.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.66 -52.57 38.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.062 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.11 -35.19 69.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.087 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -64.58 -53.29 50.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 93.7 m -55.2 -49.75 71.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 42.5 tp -63.35 -47.9 80.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -57.59 -58.5 8.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.505 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 60.8 t60 -59.3 -53.72 55.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.828 ' HA ' HD12 ' A' ' 52' ' ' LEU . 36.9 t80 -45.5 -67.44 0.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -44.03 -46.52 8.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -56.97 -36.21 70.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.861 HD13 HD21 ' A' ' 21' ' ' LEU . 23.5 mt -62.77 -46.34 88.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.558 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -51.95 -56.45 14.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -64.81 -42.22 95.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -53.41 -52.12 60.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.12 -53.09 8.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.06 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.3 -41.51 28.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 59' ' ' ARG . 81.0 mm-40 -52.76 -36.92 58.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 58' ' ' GLN . 8.8 ptm180 -34.55 138.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.4 p-10 -105.27 41.02 1.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.3 t -58.03 92.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -111.51 153.86 17.03 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.557 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -18.01 37.26 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.695 2.264 . . . . 0.0 112.363 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.5 p -148.6 122.51 9.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.9 p -172.1 165.94 6.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.457 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -115.1 157.18 23.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.4 m -117.72 116.19 26.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.82 176.95 17.15 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.8 p -164.85 145.18 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.891 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -85.85 -46.19 10.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.61 164.27 29.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -92.88 93.53 8.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.362 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.82 150.64 2.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.5 t -80.09 134.81 36.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -73.82 134.17 43.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.687 ' CZ3' HD22 ' A' ' 20' ' ' LEU . 17.2 m95 -94.12 168.49 10.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 t -119.81 153.92 35.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -46.84 -20.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -85.94 -47.73 9.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.475 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 2.6 mm-40 -55.62 -31.83 62.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 20' ' ' LEU . 53.6 mt-10 -68.63 -66.18 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' GLU . 6.6 mm-40 -35.89 -56.22 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.497 ' HD3' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -62.85 -36.33 82.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.687 HD22 ' CZ3' ' A' ' 12' ' ' TRP . 42.1 tp -58.13 -53.62 56.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.608 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -53.52 -39.05 64.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.871 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.804 ' CE1' HD11 ' A' ' 26' ' ' LEU . 51.3 t-80 -66.68 -61.58 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.732 ' HA ' HD12 ' A' ' 26' ' ' LEU . 3.6 mt -53.51 -60.39 3.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -36.73 -47.8 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -66.94 -49.69 64.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.804 HD11 ' CE1' ' A' ' 22' ' ' HIS . 9.6 mt -50.51 -55.65 15.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.448 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 26.0 mtm -135.04 87.18 30.01 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.601 0.715 . . . . 0.0 110.857 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.416 ' O ' ' NE1' ' A' ' 31' ' ' TRP . 53.5 Cg_endo -69.85 -28.62 24.59 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.309 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.8 p -101.55 27.56 6.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.448 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 28.7 mm100 -133.37 37.77 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.483 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 78.9 m95 -53.67 -34.31 58.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -63.3 -19.7 64.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.653 HG22 ' CD1' ' A' ' 37' ' ' ILE . 78.8 m -97.59 -38.16 9.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.147 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.715 HG23 HD13 ' A' ' 23' ' ' LEU . 82.0 mt -72.24 -24.67 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.767 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -61.32 -59.09 14.69 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.559 0.695 . . . . 0.0 111.116 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.767 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.3 Cg_endo -69.78 -13.9 35.27 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.75 2.3 . . . . 0.0 112.309 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.653 ' CD1' HG22 ' A' ' 33' ' ' THR . 82.2 mt -88.9 -16.65 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.497 HG23 ' HD3' ' A' ' 19' ' ' LYS . 19.1 mt -110.67 -37.9 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.63 -27.91 4.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.517 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.68 178.62 6.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 110.848 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 47.8 p -90.26 151.33 21.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -42.36 -50.86 5.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.32 -43.54 98.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -60.96 -44.59 97.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.507 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 90.3 m -62.81 -52.38 63.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.483 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 20.5 tp -62.03 -41.36 98.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -61.67 -55.56 29.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 38.5 t60 -59.97 -53.71 54.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.587 ' CE1' HD21 ' A' ' 53' ' ' LEU . 38.5 t80 -44.85 -69.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -44.14 -45.57 8.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -57.64 -40.24 78.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.608 HD13 HD21 ' A' ' 21' ' ' LEU . 83.5 mt -58.21 -48.94 78.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.587 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.7 mm? -48.12 -52.59 19.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -64.03 -48.12 77.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -51.24 -43.22 61.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.51 -41.88 88.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.76 -49.54 74.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 59' ' ' ARG . 7.4 pt20 -63.46 -42.7 98.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 58' ' ' GLN . 23.5 ttt180 -38.19 143.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 61' ' ' SER . 11.1 m-20 -60.19 170.85 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 60' ' ' ASP . 78.6 p 34.68 44.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.82 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -99.77 146.19 17.76 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.521 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -0.4 6.81 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.706 2.27 . . . . 0.0 112.343 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 86.5 p -42.2 152.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -157.82 169.65 24.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.956 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 t -77.55 -50.99 11.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.88 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -42.4 145.64 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.1 69.69 1.37 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -120.57 103.11 8.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.9 0.381 . . . . 0.0 110.844 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.1 p -92.89 86.97 5.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.22 -157.21 28.4 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -127.42 105.74 8.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -135.28 114.81 12.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 10' ' ' THR . 14.4 t -125.65 124.25 40.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -91.85 125.74 36.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.637 ' CZ3' HD22 ' A' ' 20' ' ' LEU . 17.4 m95 -93.24 167.09 11.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 14' ' ' ARG . 6.7 t -128.82 154.22 46.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -35.39 -43.32 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -61.83 -63.31 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.478 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 2.4 mp0 -46.51 -38.42 9.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 20' ' ' LEU . 52.8 mt-10 -67.55 -64.68 0.81 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 17' ' ' GLU . 39.8 mm-40 -37.05 -57.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.597 ' HD3' HG23 ' A' ' 38' ' ' ILE . 4.5 ptmt -60.33 -34.67 74.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.637 HD22 ' CZ3' ' A' ' 12' ' ' TRP . 32.6 tp -62.02 -53.86 49.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.777 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -54.03 -36.79 63.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.866 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.841 ' CE1' HD11 ' A' ' 26' ' ' LEU . 49.3 t-80 -67.83 -59.79 3.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.741 ' HA ' HD12 ' A' ' 26' ' ' LEU . 2.5 mt -59.18 -56.9 16.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -41.48 -47.79 3.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.087 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -38.77 80.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.841 HD11 ' CE1' ' A' ' 22' ' ' HIS . 13.3 mt -60.2 -53.79 53.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.455 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 35.1 mtm -134.96 89.38 24.56 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.575 0.702 . . . . 0.0 110.866 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -23.45 30.45 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.338 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.2 p -107.79 30.14 6.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.455 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 28.4 mm100 -135.0 39.56 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.585 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 76.8 m95 -57.16 -36.63 71.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.7 mtm105 -64.71 -18.61 65.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.2 m -97.66 -37.03 10.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.57 HG12 HD22 ' A' ' 23' ' ' LEU . 95.8 mt -72.67 -33.2 43.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.755 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -49.43 -58.67 8.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.576 0.703 . . . . 0.0 111.153 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.755 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.3 Cg_endo -69.8 -12.17 32.29 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.431 ' O ' HG22 ' A' ' 37' ' ' ILE . 90.3 mt -91.61 -15.35 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.597 HG23 ' HD3' ' A' ' 19' ' ' LYS . 18.6 mt -113.55 -34.3 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.96 -35.34 2.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.427 ' O ' ' HB1' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -89.81 178.56 6.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.912 0.386 . . . . 0.0 110.834 -179.821 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.428 ' HA ' ' HB1' ' A' ' 35' ' ' ALA . 27.8 p -89.82 161.11 16.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.451 ' HB1' ' HB3' ' A' ' 31' ' ' TRP . . . -48.98 -51.6 29.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.01 -49.76 72.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -58.69 -48.89 79.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 85.1 m -59.43 -56.4 22.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.585 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 22.7 tp -58.55 -39.85 81.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -61.68 -50.46 72.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -66.83 -56.26 11.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.769 ' HA ' HD12 ' A' ' 52' ' ' LEU . 28.5 t80 -43.83 -63.03 0.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -47.23 -48.58 24.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -52.62 -39.02 61.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.777 HD13 HD21 ' A' ' 21' ' ' LEU . 17.9 mt -60.31 -50.16 74.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.631 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.7 mm? -47.55 -52.64 16.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -64.88 -47.25 78.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -51.95 -42.83 63.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.61 -38.81 69.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.84 -33.87 64.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -70.53 -48.32 56.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -60.76 140.89 57.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -47.05 144.77 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.2 p -116.81 121.86 42.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.13 -89.74 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.528 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 89.0 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.679 2.253 . . . . 0.0 112.381 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.1 m -77.72 98.93 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.6 m -64.49 124.23 21.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.559 -179.931 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 p -60.83 146.26 46.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.923 0.392 . . . . 0.0 110.865 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.7 m -40.88 -60.21 1.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.48 -77.65 0.39 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -164.91 151.8 10.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.88 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 7' ' ' GLY . 47.5 m -96.16 127.05 41.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.87 -136.05 0.49 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -78.37 167.91 20.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -122.44 130.02 52.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.3 t -159.22 137.49 10.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -103.5 128.97 50.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.631 ' CD2' ' CD2' ' A' ' 48' ' ' HIS . 39.2 m95 -92.4 152.33 19.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.463 ' O ' ' C ' ' A' ' 14' ' ' ARG . 3.4 t -115.16 148.51 38.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 13' ' ' SER . 3.0 tpm_? -33.45 -44.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -63.57 -60.82 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.75 -38.12 3.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.544 ' OE1' HD22 ' A' ' 52' ' ' LEU . 43.3 mt-10 -66.92 -62.35 1.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' GLU . 58.5 mt-10 -37.43 -58.09 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.498 ' HD3' HG23 ' A' ' 38' ' ' ILE . 7.1 ptmt -58.51 -35.78 72.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.482 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 31.3 tp -61.2 -53.41 57.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.519 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -55.94 -35.34 66.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.798 ' CE1' HD11 ' A' ' 26' ' ' LEU . 44.3 t-80 -69.66 -62.51 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.718 ' HA ' HD12 ' A' ' 26' ' ' LEU . 4.0 mt -58.3 -54.49 46.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.5 -46.62 6.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -70.17 -43.18 71.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.798 HD11 ' CE1' ' A' ' 22' ' ' HIS . 11.0 mt -55.76 -55.87 27.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.46 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 19.6 mtm -135.05 89.57 23.73 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.606 0.717 . . . . 0.0 110.872 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.442 ' O ' ' NE1' ' A' ' 31' ' ' TRP . 53.3 Cg_endo -69.77 -42.8 3.08 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.685 2.256 . . . . 0.0 112.312 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.0 p -87.02 23.16 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.199 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.46 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 25.5 mm100 -130.21 38.59 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.704 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 79.6 m95 -54.39 -34.0 60.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -60.08 -19.73 54.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.567 HG22 ' CD1' ' A' ' 37' ' ' ILE . 51.6 m -97.6 -38.62 9.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.656 HG12 HD22 ' A' ' 23' ' ' LEU . 90.2 mt -72.66 -20.05 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.723 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -64.95 -57.92 14.4 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.608 0.718 . . . . 0.0 111.123 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.723 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.5 Cg_endo -69.84 -14.87 36.41 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.695 2.263 . . . . 0.0 112.299 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.567 ' CD1' HG22 ' A' ' 33' ' ' THR . 81.8 mt -86.03 -23.88 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.498 HG23 ' HD3' ' A' ' 19' ' ' LYS . 9.2 mt -102.62 -40.01 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 128.56 -25.71 4.72 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.456 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.595 ' HD3' ' CZ2' ' A' ' 12' ' ' TRP . 57.0 mtt85 -98.2 178.24 5.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.891 0.377 . . . . 0.0 110.847 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.1 p -82.92 158.33 22.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.123 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.672 ' HB1' ' CB ' ' A' ' 31' ' ' TRP . . . -53.85 -50.06 67.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.057 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.81 -45.33 74.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -63.5 -54.02 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 87.8 m -52.95 -45.89 67.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.704 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 15.3 tp -63.61 -49.22 74.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -54.53 -59.39 4.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.631 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 53.5 t60 -57.93 -47.53 82.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.521 ' CE1' HD21 ' A' ' 53' ' ' LEU . 30.6 t80 -47.59 -71.68 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -43.53 -41.78 4.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.453 ' CD1' ' C ' ' A' ' 51' ' ' PHE . 0.3 OUTLIER -58.73 -38.74 79.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.544 HD22 ' OE1' ' A' ' 17' ' ' GLU . 95.7 mt -61.71 -42.47 98.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.521 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.0 mm? -56.87 -53.13 61.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -68.13 -40.56 82.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -50.96 -44.05 60.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.09 -40.45 74.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.065 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.98 -46.89 87.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.08 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.454 ' HG3' ' N ' ' A' ' 59' ' ' ARG . 5.8 pt20 -63.76 -45.81 88.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.454 ' N ' ' HG3' ' A' ' 58' ' ' GLN . 43.8 ttt180 -69.98 111.4 5.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -83.22 42.28 0.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.8 t -73.9 140.02 45.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.89 137.82 22.82 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 96.34 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.331 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.6 p -134.31 83.36 2.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.4 m -118.94 145.56 45.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.6 p -69.95 176.9 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.852 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.1 p -76.52 -56.85 4.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.02 93.9 0.96 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -70.18 86.48 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.929 0.395 . . . . 0.0 110.84 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -60.73 -46.1 91.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.8 80.96 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -104.62 41.47 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.432 ' NZ ' ' HA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -165.27 130.3 2.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.6 m -48.58 103.99 0.05 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -98.67 141.61 31.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.783 ' CZ3' HD22 ' A' ' 20' ' ' LEU . 51.1 m95 -79.19 137.3 37.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 15' ' ' GLU . 1.4 t -102.18 149.52 24.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 13' ' ' SER . 17.9 tpt180 -34.07 -35.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 13' ' ' SER . 38.3 mt-10 -74.94 -66.7 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.436 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 9.6 mm-40 -34.75 -40.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' LEU . 86.9 mt-10 -65.55 -61.08 2.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' GLU . 51.7 mt-10 -36.93 -57.4 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.512 ' HD3' HG23 ' A' ' 38' ' ' ILE . 6.8 ptmt -61.16 -32.41 72.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.783 HD22 ' CZ3' ' A' ' 12' ' ' TRP . 30.1 tp -64.12 -53.07 55.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.847 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -55.72 -34.35 65.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.81 ' CE1' HD11 ' A' ' 26' ' ' LEU . 47.0 t-80 -71.49 -61.92 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.878 HD13 HG23 ' A' ' 34' ' ' ILE . 3.8 mt -55.59 -54.03 49.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.67 -44.14 8.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -71.23 -40.38 71.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.81 HD11 ' CE1' ' A' ' 22' ' ' HIS . 10.4 mt -60.8 -55.78 29.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.456 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 22.2 mtm -135.05 86.23 32.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.554 0.692 . . . . 0.0 110.833 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.464 ' O ' ' NE1' ' A' ' 31' ' ' TRP . 53.8 Cg_endo -69.81 -24.79 29.05 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.323 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 58.7 p -105.17 27.4 8.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.456 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 27.2 mm100 -134.91 36.7 3.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.733 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 74.1 m95 -52.26 -39.8 60.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -58.16 -18.81 28.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.427 ' C ' ' HD2' ' A' ' 36' ' ' PRO . 91.2 m -97.63 -35.5 10.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.878 HG23 HD13 ' A' ' 23' ' ' LEU . 76.2 mt -75.84 -15.69 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.159 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.664 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -64.18 -55.55 30.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.535 0.683 . . . . 0.0 111.092 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.664 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.8 Cg_endo -69.73 -10.75 29.34 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 34' ' ' ILE . 80.1 mt -90.76 -31.37 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.512 HG23 ' HD3' ' A' ' 19' ' ' LYS . 9.9 mt -96.94 -36.63 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.29 -15.65 10.01 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.514 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.545 ' NH1' ' NE1' ' A' ' 12' ' ' TRP . 12.6 mtp180 -102.84 178.11 4.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.92 0.391 . . . . 0.0 110.861 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 p -89.87 150.27 22.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -41.96 -44.71 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.14 -46.81 72.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.403 ' N ' ' CD ' ' A' ' 44' ' ' GLN . 5.8 mm-40 -66.28 -60.09 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 92.9 m -43.92 -40.26 4.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.733 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 52.6 tp -75.61 -50.38 15.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -52.23 -61.58 2.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.751 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 47.2 t60 -54.53 -55.76 25.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.71 ' HA ' HD12 ' A' ' 52' ' ' LEU . 45.8 t80 -41.78 -69.96 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -44.93 -46.22 10.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -56.7 -34.67 67.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.847 HD13 HD21 ' A' ' 21' ' ' LEU . 28.1 mt -65.54 -50.6 64.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.578 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -47.7 -53.32 15.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -67.49 -42.1 83.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -57.28 -37.4 72.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.2 -34.94 63.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.05 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.0 -42.82 72.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 59' ' ' ARG . 4.4 pt20 -68.2 -49.6 59.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.41 ' N ' ' HG3' ' A' ' 58' ' ' GLN . 20.3 ptt180 -59.54 125.99 25.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.443 ' C ' ' OD1' ' A' ' 60' ' ' ASP . 37.6 t0 -65.89 -52.79 47.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 t -40.95 110.34 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -159.9 -94.44 0.1 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.464 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -4.37 13.91 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.665 2.244 . . . . 0.0 112.345 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.7 t -60.38 132.06 52.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.9 t -91.76 82.84 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.443 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.849 0.357 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -56.34 -34.88 67.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 20' ' ' LEU . 26.9 mt-10 -70.07 -64.92 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 17' ' ' GLU . 7.5 mm-40 -37.37 -54.93 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.676 ' HD3' HG23 ' A' ' 38' ' ' ILE . 1.3 ptmt -62.47 -34.58 77.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.478 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 27.2 tp -61.39 -52.55 64.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.966 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.737 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -55.82 -35.78 66.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.914 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.901 ' CD2' HD11 ' A' ' 26' ' ' LEU . 77.9 t60 -68.6 -58.54 4.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.828 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.73 ' HA ' HD12 ' A' ' 26' ' ' LEU . 4.3 mt -58.07 -58.71 7.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -40.35 -46.76 2.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -68.32 -42.41 79.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.901 HD11 ' CD2' ' A' ' 22' ' ' HIS . 9.4 mt -58.11 -54.49 46.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.445 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 30.1 mtm -135.0 82.94 41.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.579 0.704 . . . . 0.0 110.913 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -7.19 20.44 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.728 2.286 . . . . 0.0 112.298 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.0 p -119.23 18.7 12.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.445 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 89.2 mm-40 -127.44 37.56 4.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -52.7 -36.99 58.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -60.35 -21.58 62.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.738 HG22 ' CD1' ' A' ' 37' ' ' ILE . 99.9 m -97.68 -39.43 9.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.179 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.712 HG23 HD13 ' A' ' 23' ' ' LEU . 70.7 mt -67.25 -31.83 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.196 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.769 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -53.19 -59.43 9.18 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.574 0.702 . . . . 0.0 111.128 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.769 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 54.0 Cg_endo -69.75 -14.52 36.22 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.637 2.225 . . . . 0.0 112.387 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.738 ' CD1' HG22 ' A' ' 33' ' ' THR . 81.7 mt -88.45 -17.05 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.676 HG23 ' HD3' ' A' ' 19' ' ' LYS . 18.3 mt -110.45 -35.89 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.169 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.54 -31.91 3.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.509 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -90.74 169.87 10.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.856 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.9 p -79.22 162.7 25.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.23 -51.09 57.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.9 -44.14 94.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -61.89 -44.75 96.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.0 m -62.0 -53.31 57.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.3 tp -61.66 -49.49 76.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -54.64 -52.4 62.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -62.86 -52.22 63.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.642 ' CE1' HD21 ' A' ' 53' ' ' LEU . 29.6 t80 -47.59 -66.3 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.931 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -45.37 -46.08 12.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.404 ' CE2' ' HD3' ' A' ' 55' ' ' LYS . 11.7 t80 -54.77 -39.5 68.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.737 HD13 HD21 ' A' ' 21' ' ' LEU . 28.9 mt -60.5 -51.08 70.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.642 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.7 mm? -46.12 -52.0 12.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -65.6 -46.26 80.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.808 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.404 ' HD3' ' CE2' ' A' ' 51' ' ' PHE . 23.4 ttpp -53.29 -43.64 67.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 179.889 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -53.9 -36.17 62.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 20' ' ' LEU . 51.5 mt-10 -70.98 -66.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 17' ' ' GLU . 12.4 mm-40 -37.72 -55.35 1.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.489 ' HD3' HG23 ' A' ' 38' ' ' ILE . 2.0 ptmt -60.23 -36.21 77.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.949 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.48 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 25.9 tp -60.77 -53.04 62.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.837 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -55.75 -35.02 65.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.985 ' CD2' HD11 ' A' ' 26' ' ' LEU . 72.1 t60 -69.74 -63.86 0.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.806 HD22 HG12 ' A' ' 34' ' ' ILE . 3.4 mt -54.48 -54.99 33.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.15 -45.06 8.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.55 -38.92 70.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.985 HD11 ' CD2' ' A' ' 22' ' ' HIS . 12.5 mt -60.41 -54.3 47.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.45 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 24.1 mtm -135.03 83.25 40.36 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.625 0.726 . . . . 0.0 110.857 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -8.95 24.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.713 2.276 . . . . 0.0 112.341 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.5 p -118.38 20.14 13.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.45 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 87.6 mm-40 -131.0 39.91 3.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -52.89 -37.76 60.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -59.37 -18.63 40.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.449 HG22 ' CD1' ' A' ' 37' ' ' ILE . 58.4 m -97.6 -33.88 11.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.806 HG12 HD22 ' A' ' 23' ' ' LEU . 99.2 mt -75.49 -27.93 19.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.751 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -56.24 -58.86 14.03 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.548 0.69 . . . . 0.0 111.056 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.751 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 54.2 Cg_endo -69.68 -11.67 31.44 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.449 ' CD1' HG22 ' A' ' 33' ' ' THR . 89.2 mt -91.85 -17.88 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.489 HG23 ' HD3' ' A' ' 19' ' ' LYS . 21.2 mt -110.72 -32.09 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.1 -27.49 6.71 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.45 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.71 174.94 7.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.364 . . . . 0.0 110.875 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 37.1 p -86.8 155.76 20.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.25 -52.55 12.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.077 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.89 -41.6 58.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -64.01 -60.57 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.5 m -44.66 -47.43 10.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 53.6 tp -64.24 -53.67 45.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -53.25 -61.0 2.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -56.27 -53.47 56.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.715 ' HA ' HD12 ' A' ' 52' ' ' LEU . 30.4 t80 -45.45 -69.02 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -44.91 -45.52 10.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.564 ' CE2' ' HD3' ' A' ' 55' ' ' LYS . 11.6 t80 -56.07 -33.13 64.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.837 HD13 HD21 ' A' ' 21' ' ' LEU . 26.1 mt -67.33 -40.57 85.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.559 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.3 mm? -59.45 -50.3 74.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -70.15 -39.29 75.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.564 ' HD3' ' CE2' ' A' ' 51' ' ' PHE . 36.5 ttpt -54.66 -48.75 71.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.108 179.834 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.78 0.324 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -48.5 -35.9 14.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 20' ' ' LEU . 39.0 mt-10 -70.32 -65.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -38.61 -55.55 1.42 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.668 ' HD3' HG23 ' A' ' 38' ' ' ILE . 8.4 ptmt -59.46 -34.88 73.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.488 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 34.9 tp -63.02 -55.14 28.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.966 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.513 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -52.82 -35.28 56.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.898 ' CD2' HD11 ' A' ' 26' ' ' LEU . 74.7 t60 -69.72 -61.63 1.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.834 HD13 HG23 ' A' ' 34' ' ' ILE . 3.9 mt -53.02 -59.95 3.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 23' ' ' LEU . . . -35.79 -48.18 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.2 ttmt -66.81 -49.58 65.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.898 HD11 ' CD2' ' A' ' 22' ' ' HIS . 9.1 mt -50.72 -55.11 18.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.449 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 24.7 mtm -135.0 84.23 37.86 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.603 0.716 . . . . 0.0 110.905 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -11.54 31.08 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.673 2.249 . . . . 0.0 112.319 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.495 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 38.9 p -118.56 27.22 9.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.108 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 29' ' ' THR . 87.1 mm-40 -134.72 36.13 3.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.403 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 76.7 m95 -51.87 -41.75 62.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -61.69 -17.73 56.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.6 m -97.58 -33.68 11.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.148 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.834 HG23 HD13 ' A' ' 23' ' ' LEU . 89.4 mt -76.74 -28.99 17.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.727 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -47.85 -58.27 8.15 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 0.0 111.116 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.727 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.4 Cg_endo -69.77 -11.14 30.22 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.357 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 34' ' ' ILE . 90.7 mt -91.67 -17.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.668 HG23 ' HD3' ' A' ' 19' ' ' LYS . 18.3 mt -110.56 -34.05 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.68 -27.64 6.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.521 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.6 176.8 6.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.912 0.387 . . . . 0.0 110.867 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.3 p -85.49 153.42 22.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.65 -47.33 20.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.16 -52.31 65.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.068 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -59.47 -42.77 92.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 70.8 m -61.7 -51.47 68.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.403 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 23.4 tp -62.7 -47.95 81.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -60.12 -51.22 70.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -61.95 -51.02 69.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE1' HD21 ' A' ' 53' ' ' LEU . 28.1 t80 -47.08 -69.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -46.1 -45.45 16.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.512 ' CE2' ' HD3' ' A' ' 55' ' ' LYS . 32.7 t80 -54.28 -40.28 67.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.493 ' CD1' HD21 ' A' ' 21' ' ' LEU . 90.6 mt -60.37 -47.69 84.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.565 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -49.42 -53.68 21.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.94 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -67.88 -46.26 72.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.512 ' HD3' ' CE2' ' A' ' 51' ' ' PHE . 38.9 ttpt -49.85 -42.8 48.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.797 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.815 0.34 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.414 ' HG3' ' NH1' ' A' ' 40' ' ' ARG . 1.3 mm-40 -45.63 -35.95 4.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.939 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 20' ' ' LEU . 48.2 mt-10 -65.39 -63.91 0.99 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' GLU . 15.2 mt-10 -36.16 -57.01 0.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.484 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 7.1 ptmt -63.31 -33.08 74.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 17' ' ' GLU . 34.5 tp -61.3 -53.72 53.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.592 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -53.58 -37.65 63.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.992 ' CD2' HD11 ' A' ' 26' ' ' LEU . 76.2 t60 -68.89 -59.73 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.767 ' HA ' HD12 ' A' ' 26' ' ' LEU . 3.3 mt -56.35 -56.32 22.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -42.68 -46.09 4.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.068 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.77 -42.95 73.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.992 HD11 ' CD2' ' A' ' 22' ' ' HIS . 11.4 mt -55.05 -54.54 41.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.446 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 26.5 mtm -135.0 84.33 37.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.554 0.693 . . . . 0.0 110.874 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -8.87 24.69 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.324 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.475 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 38.5 p -121.38 27.01 8.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' A' ' 29' ' ' THR . 86.4 mm-40 -134.87 38.34 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.599 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 75.1 m95 -54.44 -32.72 58.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -64.85 -20.6 66.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.46 HG22 ' CD1' ' A' ' 37' ' ' ILE . 62.1 m -97.73 -38.84 9.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.563 HG23 HD13 ' A' ' 23' ' ' LEU . 74.6 mt -72.42 -29.41 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.752 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -53.44 -58.66 11.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.597 0.713 . . . . 0.0 111.099 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.752 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.4 Cg_endo -69.75 -12.9 33.85 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.689 2.259 . . . . 0.0 112.314 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.46 ' CD1' HG22 ' A' ' 33' ' ' THR . 84.4 mt -88.49 -16.31 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.7 mt -111.73 -39.39 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 130.3 -29.75 3.6 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.414 ' NH1' ' HG3' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -88.64 -175.93 5.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.376 . . . . 0.0 110.859 -179.858 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.6 p -97.64 153.41 18.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -39.49 -57.7 1.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.056 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.17 -45.19 53.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.056 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.41 ' OE1' ' CG ' ' A' ' 40' ' ' ARG . 88.8 mt-30 -62.36 -49.41 75.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 92.2 m -56.16 -54.01 50.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.813 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.599 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 28.8 tp -61.23 -55.81 27.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -51.35 -58.41 6.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -55.74 -54.05 49.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.572 ' CE1' HD21 ' A' ' 53' ' ' LEU . 33.4 t80 -46.63 -71.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -43.52 -46.06 6.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -54.96 -42.06 71.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.592 HD13 HD21 ' A' ' 21' ' ' LEU . 96.0 mt -57.94 -48.67 79.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.572 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.7 mm? -49.56 -53.28 24.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -64.92 -47.84 76.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -47.99 -43.4 29.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.053 179.876 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.846 0.355 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -47.45 -37.84 12.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 20' ' ' LEU . 62.0 mt-10 -68.94 -64.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 17' ' ' GLU . 7.8 mm-40 -36.32 -56.03 0.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.648 ' HD3' HG23 ' A' ' 38' ' ' ILE . 8.1 ptmt -61.17 -34.78 75.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 17' ' ' GLU . 38.3 tp -62.07 -51.13 69.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.782 HD21 HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -57.86 -34.2 69.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.862 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.9 ' CD2' HD11 ' A' ' 26' ' ' LEU . 79.2 t60 -68.28 -58.95 3.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.863 HD13 HG23 ' A' ' 34' ' ' ILE . 3.8 mt -55.88 -61.93 2.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 23' ' ' LEU . . . -35.08 -49.02 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -40.34 87.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.9 HD11 ' CD2' ' A' ' 22' ' ' HIS . 9.9 mt -61.84 -53.94 48.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.449 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 31.0 mtm -135.0 85.82 33.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 110.897 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -12.52 32.89 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.254 . . . . 0.0 112.293 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 64.9 p -118.98 30.04 7.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.449 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 93.1 mm-40 -135.01 35.67 3.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -51.32 -40.37 58.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.87 -21.21 56.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.48 HG22 ' CD1' ' A' ' 37' ' ' ILE . 90.9 m -97.18 -37.16 10.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.863 HG23 HD13 ' A' ' 23' ' ' LEU . 94.2 mt -68.21 -30.2 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.755 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -52.74 -59.28 9.16 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.634 0.73 . . . . 0.0 111.103 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.755 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 54.0 Cg_endo -69.71 -10.86 29.65 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.722 2.281 . . . . 0.0 112.358 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.48 ' CD1' HG22 ' A' ' 33' ' ' THR . 95.3 mt -91.42 -17.77 7.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.648 HG23 ' HD3' ' A' ' 19' ' ' LYS . 14.3 mt -111.33 -37.51 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.05 -29.33 4.39 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -89.51 176.08 7.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 110.879 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.1 p -83.62 159.03 21.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.63 -39.8 58.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.81 -40.95 68.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -64.1 -48.35 76.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 85.1 m -59.64 -49.63 77.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.421 HD11 ' OE2' ' A' ' 50' ' ' GLU . 20.9 tp -63.2 -42.41 99.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -60.87 -55.66 30.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -60.04 -50.66 72.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.699 ' HA ' HD12 ' A' ' 52' ' ' LEU . 34.2 t80 -47.92 -69.0 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.421 ' OE2' HD11 ' A' ' 46' ' ' LEU . 13.8 mt-10 -41.42 -44.36 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -60.18 -36.57 77.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.782 HD13 HD21 ' A' ' 21' ' ' LEU . 47.4 mt -61.25 -43.68 98.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.636 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -54.59 -52.36 62.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -68.57 -42.33 78.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -54.7 -43.2 72.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.063 179.871 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.787 0.327 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -49.11 -34.77 14.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.428 ' O ' HD23 ' A' ' 21' ' ' LEU . 56.9 mt-10 -69.44 -63.95 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 17' ' ' GLU . 5.8 mm-40 -38.44 -57.44 1.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 1.6 ptmt -58.48 -36.0 73.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.48 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 27.4 tp -61.25 -56.62 18.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.533 ' H ' HD23 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -51.06 -37.36 45.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.97 ' CD2' HD11 ' A' ' 26' ' ' LEU . 72.8 t60 -67.6 -62.61 1.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.78 HD22 HG12 ' A' ' 34' ' ' ILE . 2.9 mt -53.99 -57.95 9.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -39.18 -45.27 1.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -70.68 -42.47 70.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.97 HD11 ' CD2' ' A' ' 22' ' ' HIS . 10.1 mt -58.77 -56.12 26.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.449 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 15.9 mtm -135.01 86.97 30.73 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.547 0.689 . . . . 0.0 110.896 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.472 ' O ' ' NE1' ' A' ' 31' ' ' TRP . 53.5 Cg_endo -69.75 -37.66 8.9 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.8 p -92.42 24.28 3.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.449 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 97.5 mm-40 -131.73 39.49 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.683 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 77.8 m95 -54.65 -38.35 66.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -58.84 -18.78 35.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.461 HG22 ' CD1' ' A' ' 37' ' ' ILE . 49.9 m -97.35 -35.46 10.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.78 HG12 HD22 ' A' ' 23' ' ' LEU . 85.4 mt -74.7 -20.94 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.752 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -63.06 -58.64 15.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.539 0.685 . . . . 0.0 111.079 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.752 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 54.1 Cg_endo -69.75 -11.94 31.89 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.461 ' CD1' HG22 ' A' ' 33' ' ' THR . 95.3 mt -90.68 -20.64 6.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.8 mt -107.01 -36.62 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.51 -25.37 6.6 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -91.2 176.77 6.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 110.882 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 80.9 p -88.27 146.56 25.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -38.22 -52.05 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.52 -44.64 85.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -62.62 -46.47 88.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 94.9 m -60.68 -52.82 63.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.683 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 21.8 tp -62.16 -48.67 79.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -56.71 -54.27 48.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -60.16 -50.11 74.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.588 ' CE1' HD21 ' A' ' 53' ' ' LEU . 35.1 t80 -48.5 -70.71 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -42.18 -44.88 3.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -57.17 -40.14 76.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.8 mt -59.23 -44.59 92.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.588 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -52.73 -52.42 56.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -67.16 -45.4 77.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -51.71 -37.52 51.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.815 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.833 0.349 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -45.33 -38.48 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.428 ' O ' HD23 ' A' ' 21' ' ' LEU . 47.0 mt-10 -70.3 -64.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -39.3 -55.1 1.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.477 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 5.5 ptmt -60.49 -34.4 74.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.665 HD23 HD11 ' A' ' 52' ' ' LEU . 29.5 tp -62.9 -55.15 28.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.923 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -53.03 -38.09 62.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.934 ' CD2' HD11 ' A' ' 26' ' ' LEU . 76.7 t60 -66.53 -58.54 4.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.804 ' HA ' HD12 ' A' ' 26' ' ' LEU . 3.4 mt -54.63 -63.03 1.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 23' ' ' LEU . . . -34.91 -48.71 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -65.76 -43.04 90.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.934 HD11 ' CD2' ' A' ' 22' ' ' HIS . 9.6 mt -58.38 -53.4 58.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.452 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 25.9 mtm -134.98 82.76 42.01 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.565 0.698 . . . . 0.0 110.897 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -0.98 7.73 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.351 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.473 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 29.5 p -130.07 26.48 5.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.473 ' NE2' ' O ' ' A' ' 29' ' ' THR . 79.8 mm-40 -133.54 37.49 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 76.7 m95 -51.88 -41.49 61.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -59.29 -18.65 39.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.409 ' C ' ' HD2' ' A' ' 36' ' ' PRO . 25.0 m -97.6 -38.06 9.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.792 HG23 HD13 ' A' ' 23' ' ' LEU . 66.8 mt -70.53 -28.14 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.731 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -53.77 -58.25 14.0 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 111.143 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.731 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.4 Cg_endo -69.77 -11.14 30.22 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.687 2.258 . . . . 0.0 112.322 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 94.0 mt -91.72 -17.58 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.4 mt -110.92 -33.5 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.74 -30.06 5.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.93 178.69 6.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 65.7 p -90.53 154.9 19.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.42 -42.21 6.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.06 -55.03 29.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.073 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -55.45 -42.1 73.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 92.2 m -63.43 -50.73 68.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.5 tp -61.95 -56.36 19.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -50.11 -53.25 28.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -60.32 -55.32 35.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.892 ' HA ' HD12 ' A' ' 52' ' ' LEU . 37.2 t80 -46.36 -66.49 0.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.417 ' HA ' HD23 ' A' ' 53' ' ' LEU . 6.9 mm-40 -43.55 -46.72 7.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -56.66 -37.28 70.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.923 HD13 HD21 ' A' ' 21' ' ' LEU . 18.1 mt -61.12 -43.8 98.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.574 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.4 mm? -54.5 -53.19 57.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -65.63 -40.12 92.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.2 tttm -59.58 -45.91 90.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.867 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.786 0.327 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -47.13 -37.49 9.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.424 ' O ' HD23 ' A' ' 21' ' ' LEU . 48.3 mt-10 -68.52 -65.33 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -38.98 -57.59 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.684 ' HD3' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -57.69 -35.62 70.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.484 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 27.5 tp -61.64 -54.5 41.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -54.19 -34.92 61.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.914 ' CD2' HD11 ' A' ' 26' ' ' LEU . 76.6 t60 -71.03 -65.54 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.747 ' HA ' HD12 ' A' ' 26' ' ' LEU . 2.9 mt -54.52 -53.11 58.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.86 -48.56 11.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.36 -39.83 77.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.914 HD11 ' CD2' ' A' ' 22' ' ' HIS . 15.7 mt -57.03 -52.76 63.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.452 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 33.3 mtm -135.03 86.35 32.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.605 0.717 . . . . 0.0 110.869 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -9.56 26.41 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.356 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.3 p -121.61 28.89 7.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.452 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 94.6 mm-40 -134.96 35.56 3.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.636 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 76.0 m95 -52.18 -36.91 53.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -64.42 -20.92 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.6 m -97.45 -35.61 10.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.494 HG12 HD22 ' A' ' 23' ' ' LEU . 97.3 mt -72.56 -30.59 34.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.742 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -52.12 -58.5 11.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.564 0.697 . . . . 0.0 111.086 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.742 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.9 Cg_endo -69.75 -7.48 21.15 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.668 2.246 . . . . 0.0 112.342 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 92.4 mt -95.47 -20.58 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.684 HG23 ' HD3' ' A' ' 19' ' ' LYS . 28.2 mt -107.12 -37.23 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.166 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.82 28.53 3.64 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.522 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.563 ' O ' ' HB1' ' A' ' 35' ' ' ALA . 40.3 mtp85 -143.31 -178.67 5.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.926 0.393 . . . . 0.0 110.838 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 44' ' ' GLN . 23.5 p -90.54 131.85 36.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.119 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 41' ' ' THR . . . -33.88 -43.8 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.8 84.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.079 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 41' ' ' THR . 10.6 mt-30 -59.85 -52.56 64.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 88.3 m -54.62 -50.51 67.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.636 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 23.8 tp -61.44 -55.06 35.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -53.72 -60.82 2.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -53.92 -52.06 61.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.589 ' CE1' HD21 ' A' ' 53' ' ' LEU . 28.6 t80 -43.69 -72.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -43.22 -48.29 6.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.583 ' CE2' ' HD3' ' A' ' 55' ' ' LYS . 47.6 t80 -52.86 -38.24 61.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.412 HD13 HD21 ' A' ' 21' ' ' LEU . 84.9 mt -62.44 -42.46 99.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.589 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.7 mm? -56.19 -51.47 67.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -70.33 -39.36 74.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.808 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.583 ' HD3' ' CE2' ' A' ' 51' ' ' PHE . 19.4 ttpp -53.85 -43.94 69.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 179.879 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.841 0.353 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -48.88 -39.85 27.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 20' ' ' LEU . 52.0 mt-10 -68.32 -65.27 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 17' ' ' GLU . 5.3 mm-40 -37.8 -56.5 1.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.752 ' HD3' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -60.14 -34.06 73.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.478 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 33.9 tp -62.86 -53.55 52.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.858 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -54.97 -36.12 65.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.865 ' CD2' HD11 ' A' ' 26' ' ' LEU . 80.1 t60 -68.58 -59.25 3.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.913 HD13 HG23 ' A' ' 34' ' ' ILE . 4.3 mt -56.65 -59.65 4.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -37.85 -47.6 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -68.16 -41.05 82.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.865 HD11 ' CD2' ' A' ' 22' ' ' HIS . 9.8 mt -60.3 -54.0 50.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.443 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 31.5 mtm -135.03 85.31 34.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.586 0.707 . . . . 0.0 110.882 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -10.12 27.74 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.305 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.427 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 40.7 p -120.86 29.16 7.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.154 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.443 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 86.9 mm-40 -134.8 38.24 3.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.468 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 73.3 m95 -53.73 -37.42 63.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 ttm-85 -62.44 -21.11 65.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.453 HG22 ' CD1' ' A' ' 37' ' ' ILE . 74.6 m -97.66 -36.7 10.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.913 HG23 HD13 ' A' ' 23' ' ' LEU . 82.7 mt -72.76 -26.6 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.754 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -54.33 -59.3 10.54 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.575 0.702 . . . . 0.0 111.103 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.754 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 54.1 Cg_endo -69.71 -14.39 36.18 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.721 2.281 . . . . 0.0 112.381 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.453 ' CD1' HG22 ' A' ' 33' ' ' THR . 90.2 mt -89.11 -15.11 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.752 HG23 ' HD3' ' A' ' 19' ' ' LYS . 17.2 mt -112.64 -35.01 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.28 -32.01 3.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.38 179.59 5.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.897 0.379 . . . . 0.0 110.864 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.7 p -84.09 168.23 16.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.186 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.61 -44.43 93.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.9 -40.64 91.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -63.48 -53.87 45.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 83.9 m -52.79 -42.42 65.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.468 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 20.9 tp -70.6 -45.53 65.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -58.3 -55.51 34.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -59.67 -54.92 40.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.772 ' HA ' HD12 ' A' ' 52' ' ' LEU . 31.5 t80 -43.68 -67.89 0.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -44.14 -48.65 9.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -54.04 -36.43 63.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.858 HD13 HD21 ' A' ' 21' ' ' LEU . 25.9 mt -62.82 -44.99 94.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.614 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -53.36 -52.82 58.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -70.6 -39.08 74.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.8 tttt -56.76 -45.69 81.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.831 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 16' ' ' GLU . 7.1 mt-10 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.827 0.346 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 15' ' ' GLU . 2.6 mp0 -34.41 -40.29 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' LEU . 54.5 mt-10 -66.18 -61.2 2.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 17' ' ' GLU . 51.0 mt-10 -37.96 -58.95 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.474 ' HD3' HG23 ' A' ' 38' ' ' ILE . 1.8 ptmt -57.59 -32.95 67.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.471 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 15.8 tp -65.29 -55.54 17.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.916 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.509 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -53.19 -32.87 50.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.915 ' CD2' HD11 ' A' ' 26' ' ' LEU . 79.2 t60 -72.43 -57.91 3.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.791 HD13 HG23 ' A' ' 34' ' ' ILE . 4.9 mt -57.64 -55.44 34.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -42.39 -48.28 5.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -67.77 -43.18 80.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.915 HD11 ' CD2' ' A' ' 22' ' ' HIS . 10.3 mt -55.92 -53.76 52.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.451 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 30.4 mtm -134.31 83.99 42.6 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.561 0.696 . . . . 0.0 110.887 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.07 3.85 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.63 2.22 . . . . 0.0 112.344 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.5 p -135.02 28.45 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.451 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 96.7 mm-40 -134.68 38.02 3.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.611 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 78.2 m95 -52.6 -35.6 54.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -60.98 -21.42 63.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.572 HG22 ' CD1' ' A' ' 37' ' ' ILE . 92.8 m -97.75 -37.9 9.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.791 HG23 HD13 ' A' ' 23' ' ' LEU . 44.5 mt -70.57 -25.83 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.732 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -58.78 -58.3 20.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.594 0.711 . . . . 0.0 111.121 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.732 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.3 Cg_endo -69.8 -14.95 36.69 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.289 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.572 ' CD1' HG22 ' A' ' 33' ' ' THR . 87.8 mt -86.45 -23.85 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.162 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.474 HG23 ' HD3' ' A' ' 19' ' ' LYS . 10.9 mt -103.34 -37.9 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.127 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.76 -34.15 2.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.492 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.423 ' O ' ' HB1' ' A' ' 35' ' ' ALA . 16.9 mtp85 -92.19 177.75 6.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.368 . . . . 0.0 110.881 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.8 p -82.58 170.97 14.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.53 -50.28 70.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.36 -69.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -37.56 -47.6 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 91.5 m -61.11 -58.66 7.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.611 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 19.2 tp -52.52 -55.45 22.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -42.95 -60.91 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -56.65 -54.09 50.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.613 ' CE1' HD21 ' A' ' 53' ' ' LEU . 31.3 t80 -44.06 -68.97 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.445 ' HA ' HD23 ' A' ' 53' ' ' LEU . 13.2 mm-40 -44.17 -49.08 9.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -52.6 -41.24 63.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.503 HD13 HD21 ' A' ' 21' ' ' LEU . 83.9 mt -58.52 -49.01 78.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.613 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -47.78 -54.37 12.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -65.47 -46.46 79.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -51.0 -45.54 61.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.849 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.797 0.332 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -50.46 -37.8 40.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' LEU . 34.5 mt-10 -70.36 -61.89 1.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 17' ' ' GLU . 4.7 mm-40 -37.61 -56.43 1.04 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.481 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -59.06 -35.96 74.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.481 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 30.9 tp -62.39 -54.94 33.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.94 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.767 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -53.29 -38.58 63.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.854 ' CD2' HD11 ' A' ' 26' ' ' LEU . 80.9 t60 -64.87 -57.32 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.854 HD13 HG23 ' A' ' 34' ' ' ILE . 3.7 mt -57.09 -64.45 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 23' ' ' LEU . . . -34.29 -47.6 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -66.75 -42.35 86.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.854 HD11 ' CD2' ' A' ' 22' ' ' HIS . 9.5 mt -59.4 -54.04 51.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.958 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.456 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 27.1 mtm -135.0 84.53 37.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.578 0.704 . . . . 0.0 110.88 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.41 23.52 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.7 2.267 . . . . 0.0 112.354 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 63.7 p -121.75 26.65 8.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.456 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 94.0 mm-40 -134.33 36.22 3.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.485 ' CE2' HD13 ' A' ' 46' ' ' LEU . 77.8 m95 -52.18 -40.08 60.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -59.67 -18.53 42.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.824 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 62.5 m -97.38 -35.3 10.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.854 HG23 HD13 ' A' ' 23' ' ' LEU . 90.5 mt -71.75 -33.35 48.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.716 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -50.06 -57.45 12.6 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.569 0.7 . . . . 0.0 111.083 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.716 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 54.0 Cg_endo -69.78 -11.71 31.38 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.656 2.237 . . . . 0.0 112.365 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 95.9 mt -90.95 -17.94 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.8 mt -110.23 -34.91 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 125.33 -31.77 4.13 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.3 mtt85 -91.94 172.28 8.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.923 0.392 . . . . 0.0 110.846 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 50.4 p -79.84 162.23 25.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.48 -39.74 70.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.072 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.21 -49.99 72.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -61.16 -46.66 89.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.4 m -62.46 -53.51 53.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.485 HD13 ' CE2' ' A' ' 31' ' ' TRP . 25.9 tp -59.46 -50.03 75.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -53.91 -54.25 41.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -59.52 -53.7 55.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.584 ' HA ' HD12 ' A' ' 52' ' ' LEU . 31.7 t80 -43.44 -67.74 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.959 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -44.96 -49.19 11.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -52.46 -37.7 57.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.767 HD13 HD21 ' A' ' 21' ' ' LEU . 47.2 mt -61.79 -43.95 97.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.565 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.5 mm? -54.77 -52.16 63.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -65.78 -43.68 88.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -53.34 -48.92 68.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.804 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.865 0.364 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -45.31 -40.11 7.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 20' ' ' LEU . 37.6 mt-10 -68.51 -66.45 0.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 17' ' ' GLU . 31.2 mm-40 -36.84 -55.58 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.892 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.725 ' HD3' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -61.52 -35.13 76.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.482 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 40.5 tp -61.48 -52.48 64.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.802 HD21 HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -55.75 -36.92 67.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.776 ' CD2' HD11 ' A' ' 26' ' ' LEU . 81.3 t60 -65.67 -56.34 12.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.769 HD13 HG23 ' A' ' 34' ' ' ILE . 5.2 mt -62.62 -60.34 3.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -38.07 -44.93 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.62 -42.92 67.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.776 HD11 ' CD2' ' A' ' 22' ' ' HIS . 9.3 mt -57.97 -54.03 51.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.585 ' O ' HD11 ' A' ' 34' ' ' ILE . 30.5 mtm -134.74 86.84 32.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.545 0.688 . . . . 0.0 110.848 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -16.6 37.78 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.645 2.23 . . . . 0.0 112.391 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.428 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 69.3 p -113.58 28.32 8.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.453 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 94.9 mm-40 -135.06 39.96 2.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.476 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 76.2 m95 -54.95 -37.33 66.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -60.04 -21.37 61.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.632 HG22 ' CD1' ' A' ' 37' ' ' ILE . 85.8 m -97.74 -37.32 9.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.769 HG23 HD13 ' A' ' 23' ' ' LEU . 43.6 mt -69.48 -24.26 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.751 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -61.42 -58.83 16.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.558 0.694 . . . . 0.0 111.059 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.751 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.8 Cg_endo -69.72 -13.69 35.14 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.385 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.632 ' CD1' HG22 ' A' ' 33' ' ' THR . 96.1 mt -89.65 -23.7 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.725 HG23 ' HD3' ' A' ' 19' ' ' LYS . 18.0 mt -103.69 -35.06 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.87 -30.58 4.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.5 179.74 5.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 110.903 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 82.1 p -88.06 156.84 19.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -49.04 -43.3 40.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.059 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.05 -44.24 89.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -62.35 -45.24 94.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 95.3 m -62.91 -51.38 67.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.476 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 16.6 tp -61.97 -50.74 70.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -53.96 -54.12 43.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -61.48 -55.21 33.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.867 ' HA ' HD12 ' A' ' 52' ' ' LEU . 36.8 t80 -44.47 -67.01 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -44.44 -47.24 9.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -56.06 -36.93 68.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.867 HD12 ' HA ' ' A' ' 49' ' ' TYR . 20.7 mt -61.58 -49.51 76.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.605 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.7 mm? -48.26 -51.72 24.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -66.46 -45.46 79.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -52.86 -43.64 66.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.07 179.872 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.789 0.328 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -54.07 -34.89 61.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 20' ' ' LEU . 54.1 mt-10 -66.05 -61.46 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 17' ' ' GLU . 20.8 mt-10 -35.35 -57.72 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.625 ' HD3' HG23 ' A' ' 38' ' ' ILE . 6.7 ptmt -61.8 -34.36 75.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 17' ' ' GLU . 35.4 tp -61.02 -52.28 65.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.541 HD21 HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -55.78 -34.91 65.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.914 ' CD2' HD11 ' A' ' 26' ' ' LEU . 74.2 t60 -70.72 -62.54 1.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.774 HD13 HG23 ' A' ' 34' ' ' ILE . 4.0 mt -53.79 -53.42 52.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.11 -47.69 8.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.072 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -68.38 -40.89 81.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.914 HD11 ' CD2' ' A' ' 22' ' ' HIS . 11.9 mt -58.47 -53.42 58.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.932 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.454 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 32.3 mtm -135.01 85.02 35.58 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.623 0.725 . . . . 0.0 110.842 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -6.22 18.09 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 55.6 p -125.34 27.56 6.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.454 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 96.9 mm-40 -134.97 38.15 3.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -52.0 -39.35 59.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -57.92 -20.05 34.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.4 ' C ' ' HD2' ' A' ' 36' ' ' PRO . 91.4 m -97.54 -35.59 10.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.774 HG23 HD13 ' A' ' 23' ' ' LEU . 92.5 mt -73.38 -21.09 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.715 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -61.03 -57.5 25.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.572 0.701 . . . . 0.0 111.142 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.715 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.2 Cg_endo -69.82 -13.28 34.31 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.653 2.235 . . . . 0.0 112.28 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.9 mt -87.65 -24.64 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.113 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.625 HG23 ' HD3' ' A' ' 19' ' ' LYS . 9.4 mt -103.51 -39.58 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 129.92 -30.33 3.56 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.507 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.71 -176.9 4.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 110.889 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.8 p -90.85 158.23 16.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.06 -53.1 17.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.91 -45.5 71.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -61.81 -52.22 65.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.1 m -52.36 -46.32 66.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.8 tp -64.38 -51.34 63.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -55.14 -53.79 51.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -60.87 -53.14 60.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.509 ' CE1' HD21 ' A' ' 53' ' ' LEU . 31.8 t80 -46.89 -68.88 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -44.95 -48.57 11.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -50.6 -40.25 52.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.541 HD13 HD21 ' A' ' 21' ' ' LEU . 96.5 mt -60.7 -44.56 96.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.509 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -53.76 -51.39 63.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -68.93 -41.51 78.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -57.61 -33.9 68.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.81 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.795 0.331 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -41.77 -41.47 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 20' ' ' LEU . 68.3 mt-10 -63.32 -63.34 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' GLU . 13.2 mt-10 -36.49 -59.87 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.602 ' HD3' HG23 ' A' ' 38' ' ' ILE . 6.2 ptmt -59.34 -32.92 70.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.488 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 24.6 tp -62.7 -53.18 58.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.509 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -54.92 -34.07 62.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.813 ' CD2' HD11 ' A' ' 26' ' ' LEU . 77.3 t60 -71.47 -62.84 1.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.755 ' HA ' HD12 ' A' ' 26' ' ' LEU . 3.3 mt -56.35 -53.36 58.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.22 -47.93 12.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.39 -42.66 82.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.813 HD11 ' CD2' ' A' ' 22' ' ' HIS . 11.9 mt -55.92 -53.23 59.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.454 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 29.9 mtm -135.01 82.92 41.38 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.58 0.705 . . . . 0.0 110.905 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -2.07 9.51 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.419 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 49.9 p -127.18 23.38 6.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.454 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 78.7 mm-40 -130.26 36.88 3.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.822 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 79.8 m95 -51.65 -38.15 53.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -63.94 -21.41 66.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.6 m -97.63 -35.12 10.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.535 ' HA ' HD12 ' A' ' 37' ' ' ILE . 94.6 mt -76.44 -25.01 16.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.706 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -52.84 -57.12 17.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.569 0.699 . . . . 0.0 111.056 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.706 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 54.0 Cg_endo -69.76 -8.56 23.91 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.691 2.26 . . . . 0.0 112.326 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 34' ' ' ILE . 93.0 mt -92.76 -19.54 6.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.602 HG23 ' HD3' ' A' ' 19' ' ' LYS . 12.5 mt -110.39 -37.88 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.22 -26.42 5.82 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.21 174.43 7.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.4 p -83.06 148.6 27.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.497 ' HB1' ' CB ' ' A' ' 31' ' ' TRP . . . -41.6 -52.37 3.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.064 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.94 -42.65 90.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.103 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -62.63 -47.04 85.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.4 m -61.16 -44.79 96.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.822 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 25.4 tp -67.28 -46.16 74.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.35 -50.88 69.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -65.33 -50.59 65.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.523 ' CE1' HD21 ' A' ' 53' ' ' LEU . 29.6 t80 -49.27 -67.21 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -45.26 -45.77 12.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -54.57 -39.74 68.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.436 ' CD1' HD21 ' A' ' 21' ' ' LEU . 78.9 mt -59.28 -45.43 91.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.523 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.2 mm? -52.75 -52.71 55.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -68.03 -41.73 81.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -52.59 -44.89 66.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.074 179.848 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.43 ' HG2' ' NH1' ' A' ' 40' ' ' ARG . 1.7 mp0 -49.22 -38.61 26.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 20' ' ' LEU . 53.3 mt-10 -68.81 -65.1 0.75 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' GLU . 5.0 mm-40 -36.58 -56.31 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.791 ' HD3' HG23 ' A' ' 38' ' ' ILE . 2.7 ptmm? -61.96 -36.82 82.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 17' ' ' GLU . 41.6 tp -57.93 -53.18 61.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.514 ' H ' HD23 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -54.3 -37.72 65.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.873 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 1.01 ' CD2' HD11 ' A' ' 26' ' ' LEU . 75.4 t60 -71.72 -60.69 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.745 ' HA ' HD12 ' A' ' 26' ' ' LEU . 4.0 mt -49.05 -52.41 25.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.48 -45.27 9.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -68.94 -42.59 76.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.01 HD11 ' CD2' ' A' ' 22' ' ' HIS . 8.9 mt -58.31 -55.36 35.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.447 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 26.9 mtm -134.98 85.51 34.56 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.515 0.674 . . . . 0.0 110.878 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -16.67 37.45 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.4 p -115.27 29.4 8.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.447 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 96.9 mm-40 -134.78 37.87 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -52.37 -37.67 56.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -60.4 -20.66 60.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.583 HG22 ' CD1' ' A' ' 37' ' ' ILE . 89.4 m -97.77 -39.0 9.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.699 HG23 HD13 ' A' ' 23' ' ' LEU . 74.5 mt -71.91 -21.56 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.139 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.731 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -62.22 -58.61 16.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.583 0.706 . . . . 0.0 111.154 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.731 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.8 Cg_endo -69.76 -16.67 37.67 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.736 2.291 . . . . 0.0 112.312 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.583 ' CD1' HG22 ' A' ' 33' ' ' THR . 78.5 mt -85.57 -22.97 7.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.791 HG23 ' HD3' ' A' ' 19' ' ' LYS . 12.9 mt -102.35 -36.35 4.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.58 -29.41 4.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.43 ' NH1' ' HG2' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -92.82 173.14 7.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.926 0.393 . . . . 0.0 110.869 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 57.6 p -81.81 160.51 23.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.03 -50.98 25.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.125 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.14 -40.46 93.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -63.8 -42.64 97.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 90.7 m -66.34 -47.3 73.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 18.6 tp -65.67 -47.79 74.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -61.87 -52.02 65.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -62.1 -49.9 74.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.635 ' CE1' HD21 ' A' ' 53' ' ' LEU . 22.3 t80 -45.47 -69.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.496 ' HA ' HD23 ' A' ' 53' ' ' LEU . 7.2 mm-40 -44.61 -50.55 9.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 51' ' ' PHE . 3.0 t80 -48.26 -41.55 28.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.495 HD13 HD21 ' A' ' 21' ' ' LEU . 93.5 mt -59.72 -46.78 88.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.635 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.5 mm? -51.9 -55.54 19.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -60.5 -43.04 97.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -56.25 -42.04 76.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.067 179.855 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.815 0.341 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -51.81 -38.19 54.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.422 ' O ' HD23 ' A' ' 21' ' ' LEU . 63.2 mt-10 -70.73 -63.76 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -39.31 -55.32 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.647 ' HD3' HG23 ' A' ' 38' ' ' ILE . 8.4 ptmt -59.32 -35.08 73.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.481 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 35.0 tp -63.18 -55.0 28.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.861 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -53.39 -35.0 59.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.938 ' CD2' HD11 ' A' ' 26' ' ' LEU . 74.5 t60 -70.55 -61.94 1.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.714 HD13 HG23 ' A' ' 34' ' ' ILE . 4.3 mt -52.85 -52.14 58.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.86 -46.63 15.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.56 -40.94 80.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.938 HD11 ' CD2' ' A' ' 22' ' ' HIS . 10.1 mt -58.59 -53.47 57.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.451 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 33.3 mtm -135.02 83.09 40.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.597 0.713 . . . . 0.0 110.879 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 1.98 3.95 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.66 2.24 . . . . 0.0 112.309 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 78.5 p -131.34 22.1 4.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.148 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.451 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 87.8 mm-40 -130.0 37.81 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -51.39 -41.61 60.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -58.24 -20.66 43.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.576 HG22 ' CD1' ' A' ' 37' ' ' ILE . 64.4 m -97.53 -36.23 10.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.714 HG23 HD13 ' A' ' 23' ' ' LEU . 96.9 mt -69.94 -20.91 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.157 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.756 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -61.65 -59.22 14.05 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.584 0.706 . . . . 0.0 111.084 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.756 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.2 Cg_endo -69.79 -13.93 35.28 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.671 2.247 . . . . 0.0 112.338 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.576 ' CD1' HG22 ' A' ' 33' ' ' THR . 92.7 mt -88.7 -17.48 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.647 HG23 ' HD3' ' A' ' 19' ' ' LYS . 17.1 mt -109.53 -36.39 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.87 -27.51 5.4 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.503 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.77 178.3 5.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.896 0.379 . . . . 0.0 110.86 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.7 p -84.21 160.03 20.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.66 -52.57 38.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.062 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.11 -35.19 69.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.087 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -64.58 -53.29 50.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 93.7 m -55.2 -49.75 71.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 42.5 tp -63.35 -47.9 80.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -57.59 -58.5 8.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -59.3 -53.72 55.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.828 ' HA ' HD12 ' A' ' 52' ' ' LEU . 36.9 t80 -45.5 -67.44 0.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -44.03 -46.52 8.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -56.97 -36.21 70.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.861 HD13 HD21 ' A' ' 21' ' ' LEU . 23.5 mt -62.77 -46.34 88.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.558 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -51.95 -56.45 14.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -64.81 -42.22 95.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -53.41 -52.12 60.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.06 179.834 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.77 0.319 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -55.62 -31.83 62.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 20' ' ' LEU . 53.6 mt-10 -68.63 -66.18 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' GLU . 6.6 mm-40 -35.89 -56.22 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.497 ' HD3' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -62.85 -36.33 82.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.478 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 42.1 tp -58.13 -53.62 56.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.608 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -53.52 -39.05 64.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.871 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.98 ' CD2' HD11 ' A' ' 26' ' ' LEU . 65.3 t60 -66.68 -61.58 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.732 ' HA ' HD12 ' A' ' 26' ' ' LEU . 3.6 mt -53.51 -60.39 3.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -36.73 -47.8 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -66.94 -49.69 64.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.98 HD11 ' CD2' ' A' ' 22' ' ' HIS . 9.6 mt -50.51 -55.65 15.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.448 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 26.0 mtm -135.04 87.18 30.01 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.601 0.715 . . . . 0.0 110.857 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.416 ' O ' ' NE1' ' A' ' 31' ' ' TRP . 53.5 Cg_endo -69.85 -28.62 24.59 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.309 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.8 p -101.55 27.56 6.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.448 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 94.0 mm-40 -133.37 37.77 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.483 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 78.9 m95 -53.67 -34.31 58.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -63.3 -19.7 64.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.653 HG22 ' CD1' ' A' ' 37' ' ' ILE . 78.8 m -97.59 -38.16 9.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.147 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.715 HG23 HD13 ' A' ' 23' ' ' LEU . 82.0 mt -72.24 -24.67 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.767 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -61.32 -59.09 14.69 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.559 0.695 . . . . 0.0 111.116 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.767 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.3 Cg_endo -69.78 -13.9 35.27 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.75 2.3 . . . . 0.0 112.309 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.653 ' CD1' HG22 ' A' ' 33' ' ' THR . 82.2 mt -88.9 -16.65 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.497 HG23 ' HD3' ' A' ' 19' ' ' LYS . 19.1 mt -110.67 -37.9 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.63 -27.91 4.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.517 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.68 178.62 6.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 110.848 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 47.8 p -90.26 151.33 21.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -42.36 -50.86 5.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.32 -43.54 98.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -60.96 -44.59 97.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 90.3 m -62.81 -52.38 63.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.483 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 20.5 tp -62.03 -41.36 98.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -61.67 -55.56 29.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 38.5 t60 -59.97 -53.71 54.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.587 ' CE1' HD21 ' A' ' 53' ' ' LEU . 38.5 t80 -44.85 -69.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -44.14 -45.57 8.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -57.64 -40.24 78.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.608 HD13 HD21 ' A' ' 21' ' ' LEU . 83.5 mt -58.21 -48.94 78.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.587 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.7 mm? -48.12 -52.59 19.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -64.03 -48.12 77.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -51.24 -43.22 61.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.85 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -46.51 -38.42 9.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 20' ' ' LEU . 52.8 mt-10 -67.55 -64.68 0.81 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 17' ' ' GLU . 39.8 mm-40 -37.05 -57.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.597 ' HD3' HG23 ' A' ' 38' ' ' ILE . 4.5 ptmt -60.33 -34.67 74.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.481 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 32.6 tp -62.02 -53.86 49.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.777 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -54.03 -36.79 63.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.866 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.817 ' CD2' HD11 ' A' ' 26' ' ' LEU . 81.9 t60 -67.83 -59.79 3.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.741 ' HA ' HD12 ' A' ' 26' ' ' LEU . 2.5 mt -59.18 -56.9 16.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -41.48 -47.79 3.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.087 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -38.77 80.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.817 HD11 ' CD2' ' A' ' 22' ' ' HIS . 13.3 mt -60.2 -53.79 53.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.455 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 35.1 mtm -134.96 89.38 24.56 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.575 0.702 . . . . 0.0 110.866 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -23.45 30.45 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.338 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.412 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 61.2 p -107.79 30.14 6.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.455 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 92.8 mm-40 -135.0 39.56 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.585 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 76.8 m95 -57.16 -36.63 71.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.7 mtm105 -64.71 -18.61 65.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.2 m -97.66 -37.03 10.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.57 HG12 HD22 ' A' ' 23' ' ' LEU . 95.8 mt -72.67 -33.2 43.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.755 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -49.43 -58.67 8.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.576 0.703 . . . . 0.0 111.153 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.755 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.3 Cg_endo -69.8 -12.17 32.29 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.431 ' O ' HG22 ' A' ' 37' ' ' ILE . 90.3 mt -91.61 -15.35 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.597 HG23 ' HD3' ' A' ' 19' ' ' LYS . 18.6 mt -113.55 -34.3 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.96 -35.34 2.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.427 ' O ' ' HB1' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -89.81 178.56 6.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.912 0.386 . . . . 0.0 110.834 -179.821 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.428 ' HA ' ' HB1' ' A' ' 35' ' ' ALA . 27.8 p -89.82 161.11 16.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.451 ' HB1' ' HB3' ' A' ' 31' ' ' TRP . . . -48.98 -51.6 29.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.01 -49.76 72.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -58.69 -48.89 79.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 85.1 m -59.43 -56.4 22.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.585 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 22.7 tp -58.55 -39.85 81.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -61.68 -50.46 72.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -66.83 -56.26 11.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.769 ' HA ' HD12 ' A' ' 52' ' ' LEU . 28.5 t80 -43.83 -63.03 0.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -47.23 -48.58 24.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -52.62 -39.02 61.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.777 HD13 HD21 ' A' ' 21' ' ' LEU . 17.9 mt -60.31 -50.16 74.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.631 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.7 mm? -47.55 -52.64 16.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -64.88 -47.25 78.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -51.95 -42.83 63.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.817 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.75 -38.12 3.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.544 ' OE1' HD22 ' A' ' 52' ' ' LEU . 43.3 mt-10 -66.92 -62.35 1.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' GLU . 58.5 mt-10 -37.43 -58.09 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.498 ' HD3' HG23 ' A' ' 38' ' ' ILE . 7.1 ptmt -58.51 -35.78 72.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.482 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 31.3 tp -61.2 -53.41 57.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -55.94 -35.34 66.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.872 ' CD2' HD11 ' A' ' 26' ' ' LEU . 74.8 t60 -69.66 -62.51 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.718 ' HA ' HD12 ' A' ' 26' ' ' LEU . 4.0 mt -58.3 -54.49 46.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.5 -46.62 6.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -70.17 -43.18 71.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.872 HD11 ' CD2' ' A' ' 22' ' ' HIS . 11.0 mt -55.76 -55.87 27.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.46 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 19.6 mtm -135.05 89.57 23.73 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.606 0.717 . . . . 0.0 110.872 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.442 ' O ' ' NE1' ' A' ' 31' ' ' TRP . 53.3 Cg_endo -69.77 -42.8 3.08 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.685 2.256 . . . . 0.0 112.312 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.0 p -87.02 23.16 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.199 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.46 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 86.3 mm-40 -130.21 38.59 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.704 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 79.6 m95 -54.39 -34.0 60.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -60.08 -19.73 54.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.567 HG22 ' CD1' ' A' ' 37' ' ' ILE . 51.6 m -97.6 -38.62 9.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.656 HG12 HD22 ' A' ' 23' ' ' LEU . 90.2 mt -72.66 -20.05 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.723 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -64.95 -57.92 14.4 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.608 0.718 . . . . 0.0 111.123 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.723 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.5 Cg_endo -69.84 -14.87 36.41 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.695 2.263 . . . . 0.0 112.299 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.567 ' CD1' HG22 ' A' ' 33' ' ' THR . 81.8 mt -86.03 -23.88 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.498 HG23 ' HD3' ' A' ' 19' ' ' LYS . 9.2 mt -102.62 -40.01 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 128.56 -25.71 4.72 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.456 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.0 mtt85 -98.2 178.24 5.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.891 0.377 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.1 p -82.92 158.33 22.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.123 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.672 ' HB1' ' CB ' ' A' ' 31' ' ' TRP . . . -53.85 -50.06 67.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.057 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.81 -45.33 74.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -63.5 -54.02 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 87.8 m -52.95 -45.89 67.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.704 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 15.3 tp -63.61 -49.22 74.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -54.53 -59.39 4.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -57.93 -47.53 82.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.521 ' CE1' HD21 ' A' ' 53' ' ' LEU . 30.6 t80 -47.59 -71.68 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -43.53 -41.78 4.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.453 ' CD1' ' C ' ' A' ' 51' ' ' PHE . 0.3 OUTLIER -58.73 -38.74 79.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.544 HD22 ' OE1' ' A' ' 17' ' ' GLU . 95.7 mt -61.71 -42.47 98.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.521 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.0 mm? -56.87 -53.13 61.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -68.13 -40.56 82.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -50.96 -44.05 60.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.065 179.823 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 16' ' ' GLU . 38.3 mt-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.799 0.333 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' GLU . 9.6 mm-40 -34.75 -40.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' LEU . 86.9 mt-10 -65.55 -61.08 2.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' GLU . 51.7 mt-10 -36.93 -57.4 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.512 ' HD3' HG23 ' A' ' 38' ' ' ILE . 6.8 ptmt -61.16 -32.41 72.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 17' ' ' GLU . 30.1 tp -64.12 -53.07 55.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.847 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -55.72 -34.35 65.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.931 ' CD2' HD11 ' A' ' 26' ' ' LEU . 75.4 t60 -71.49 -61.92 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.878 HD13 HG23 ' A' ' 34' ' ' ILE . 3.8 mt -55.59 -54.03 49.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.67 -44.14 8.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -71.23 -40.38 71.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.931 HD11 ' CD2' ' A' ' 22' ' ' HIS . 10.4 mt -60.8 -55.78 29.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.456 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 22.2 mtm -135.05 86.23 32.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.554 0.692 . . . . 0.0 110.833 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.464 ' O ' ' NE1' ' A' ' 31' ' ' TRP . 53.8 Cg_endo -69.81 -24.79 29.05 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.323 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.429 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 58.7 p -105.17 27.4 8.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.456 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 89.4 mm-40 -134.91 36.7 3.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.733 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 74.1 m95 -52.26 -39.8 60.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -58.16 -18.81 28.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.427 ' C ' ' HD2' ' A' ' 36' ' ' PRO . 91.2 m -97.63 -35.5 10.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.878 HG23 HD13 ' A' ' 23' ' ' LEU . 76.2 mt -75.84 -15.69 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.159 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.664 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -64.18 -55.55 30.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.535 0.683 . . . . 0.0 111.092 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.664 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.8 Cg_endo -69.73 -10.75 29.34 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 34' ' ' ILE . 80.1 mt -90.76 -31.37 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.512 HG23 ' HD3' ' A' ' 19' ' ' LYS . 9.9 mt -96.94 -36.63 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.29 -15.65 10.01 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.514 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.438 ' O ' ' HB1' ' A' ' 35' ' ' ALA . 12.6 mtp180 -102.84 178.11 4.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.92 0.391 . . . . 0.0 110.861 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 p -89.87 150.27 22.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -41.96 -44.71 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.14 -46.81 72.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.403 ' N ' ' CD ' ' A' ' 44' ' ' GLN . 5.8 mm-40 -66.28 -60.09 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 92.9 m -43.92 -40.26 4.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.733 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 52.6 tp -75.61 -50.38 15.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -52.23 -61.58 2.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -54.53 -55.76 25.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.71 ' HA ' HD12 ' A' ' 52' ' ' LEU . 45.8 t80 -41.78 -69.96 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -44.93 -46.22 10.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -56.7 -34.67 67.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.847 HD13 HD21 ' A' ' 21' ' ' LEU . 28.1 mt -65.54 -50.6 64.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.578 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -47.7 -53.32 15.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -67.49 -42.1 83.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -57.28 -37.4 72.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.05 179.867 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.1 m -153.93 177.8 10.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.863 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.6 p -130.57 159.64 36.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.89 50.41 2.61 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 t -126.41 169.52 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.92 0.391 . . . . 0.0 110.816 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -66.02 149.07 50.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.9 -85.86 0.16 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.45 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -64.17 -47.11 81.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -63.51 165.23 8.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 88.3 m -153.2 113.86 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -93.17 133.38 36.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.642 ' CZ3' HD22 ' A' ' 20' ' ' LEU . 19.5 m95 -84.94 165.87 17.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.5 t -127.22 157.71 39.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.5 tpt85 -41.26 -42.54 2.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -62.69 -54.03 45.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -56.34 -34.88 67.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 20' ' ' LEU . 26.9 mt-10 -70.07 -64.92 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 17' ' ' GLU . 7.5 mm-40 -37.37 -54.93 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.676 ' HD3' HG23 ' A' ' 38' ' ' ILE . 1.3 ptmt -62.47 -34.58 77.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.642 HD22 ' CZ3' ' A' ' 12' ' ' TRP . 27.2 tp -61.39 -52.55 64.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.966 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.737 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -55.82 -35.78 66.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.914 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.901 ' CD2' HD11 ' A' ' 26' ' ' LEU . 77.9 t60 -68.6 -58.54 4.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.828 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.73 ' HA ' HD12 ' A' ' 26' ' ' LEU . 4.3 mt -58.07 -58.71 7.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -40.35 -46.76 2.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -68.32 -42.41 79.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.901 HD11 ' CD2' ' A' ' 22' ' ' HIS . 9.4 mt -58.11 -54.49 46.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.445 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 30.1 mtm -135.0 82.94 41.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.579 0.704 . . . . 0.0 110.913 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -7.19 20.44 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.728 2.286 . . . . 0.0 112.298 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.0 p -119.23 18.7 12.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.445 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 89.2 mm-40 -127.44 37.56 4.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -52.7 -36.99 58.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -60.35 -21.58 62.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.738 HG22 ' CD1' ' A' ' 37' ' ' ILE . 99.9 m -97.68 -39.43 9.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.179 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.712 HG23 HD13 ' A' ' 23' ' ' LEU . 70.7 mt -67.25 -31.83 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.196 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.769 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -53.19 -59.43 9.18 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.574 0.702 . . . . 0.0 111.128 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.769 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 54.0 Cg_endo -69.75 -14.52 36.22 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.637 2.225 . . . . 0.0 112.387 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.738 ' CD1' HG22 ' A' ' 33' ' ' THR . 81.7 mt -88.45 -17.05 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.676 HG23 ' HD3' ' A' ' 19' ' ' LYS . 18.3 mt -110.45 -35.89 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.169 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.54 -31.91 3.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.509 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -90.74 169.87 10.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.856 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.9 p -79.22 162.7 25.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.23 -51.09 57.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.9 -44.14 94.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -61.89 -44.75 96.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.0 m -62.0 -53.31 57.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.3 tp -61.66 -49.49 76.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -54.64 -52.4 62.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.521 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 67.6 t60 -62.86 -52.22 63.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.642 ' CE1' HD21 ' A' ' 53' ' ' LEU . 29.6 t80 -47.59 -66.3 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.931 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -45.37 -46.08 12.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.404 ' CE2' ' HD3' ' A' ' 55' ' ' LYS . 11.7 t80 -54.77 -39.5 68.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.737 HD13 HD21 ' A' ' 21' ' ' LEU . 28.9 mt -60.5 -51.08 70.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.642 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.7 mm? -46.12 -52.0 12.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -65.6 -46.26 80.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.808 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.404 ' HD3' ' CE2' ' A' ' 51' ' ' PHE . 23.4 ttpp -53.29 -43.64 67.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.78 -50.19 74.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.87 -50.78 65.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 59' ' ' ARG . 78.7 mm-40 -51.4 -44.2 62.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 58' ' ' GLN . 3.8 tpt180 -34.58 129.59 0.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -40.7 -46.38 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.7 m -38.47 115.85 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.26 145.5 49.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 165.6 30.43 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 65' ' ' SER . 15.0 t -103.58 94.86 5.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 64' ' ' SER . 14.4 m -36.13 102.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.9 p -140.56 117.1 10.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.865 0.364 . . . . 0.0 110.884 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t 55.9 42.35 28.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.31 167.68 13.03 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.492 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.9 t -103.07 124.43 48.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 110.877 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 t -135.19 163.6 29.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.51 -167.6 14.0 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -110.12 152.39 26.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -138.83 116.31 11.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.1 m -52.09 101.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.5 mp0 -73.64 128.45 35.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.813 ' CZ3' HD22 ' A' ' 20' ' ' LEU . 19.0 m95 -80.53 149.59 29.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 14' ' ' ARG . 25.4 p -105.09 151.28 24.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 13' ' ' SER . 5.2 tpp85 -37.95 -40.06 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -68.5 -49.53 58.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.483 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 57.4 mt-10 -53.9 -36.17 62.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 20' ' ' LEU . 51.5 mt-10 -70.98 -66.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 17' ' ' GLU . 12.4 mm-40 -37.72 -55.35 1.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.489 ' HD3' HG23 ' A' ' 38' ' ' ILE . 2.0 ptmt -60.23 -36.21 77.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.949 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.813 HD22 ' CZ3' ' A' ' 12' ' ' TRP . 25.9 tp -60.77 -53.04 62.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.837 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -55.75 -35.02 65.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.985 ' CD2' HD11 ' A' ' 26' ' ' LEU . 72.1 t60 -69.74 -63.86 0.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.806 HD22 HG12 ' A' ' 34' ' ' ILE . 3.4 mt -54.48 -54.99 33.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.15 -45.06 8.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.55 -38.92 70.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.985 HD11 ' CD2' ' A' ' 22' ' ' HIS . 12.5 mt -60.41 -54.3 47.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.45 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 24.1 mtm -135.03 83.25 40.36 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.625 0.726 . . . . 0.0 110.857 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -8.95 24.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.713 2.276 . . . . 0.0 112.341 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.5 p -118.38 20.14 13.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.45 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 87.6 mm-40 -131.0 39.91 3.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -52.89 -37.76 60.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -59.37 -18.63 40.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.449 HG22 ' CD1' ' A' ' 37' ' ' ILE . 58.4 m -97.6 -33.88 11.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.806 HG12 HD22 ' A' ' 23' ' ' LEU . 99.2 mt -75.49 -27.93 19.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.751 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -56.24 -58.86 14.03 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.548 0.69 . . . . 0.0 111.056 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.751 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 54.2 Cg_endo -69.68 -11.67 31.44 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.449 ' CD1' HG22 ' A' ' 33' ' ' THR . 89.2 mt -91.85 -17.88 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.489 HG23 ' HD3' ' A' ' 19' ' ' LYS . 21.2 mt -110.72 -32.09 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.1 -27.49 6.71 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.45 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.71 174.94 7.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.364 . . . . 0.0 110.875 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 37.1 p -86.8 155.76 20.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.25 -52.55 12.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.077 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.89 -41.6 58.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -64.01 -60.57 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.5 m -44.66 -47.43 10.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 53.6 tp -64.24 -53.67 45.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -53.25 -61.0 2.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.691 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 58.9 t60 -56.27 -53.47 56.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.715 ' HA ' HD12 ' A' ' 52' ' ' LEU . 30.4 t80 -45.45 -69.02 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -44.91 -45.52 10.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.564 ' CE2' ' HD3' ' A' ' 55' ' ' LYS . 11.6 t80 -56.07 -33.13 64.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.837 HD13 HD21 ' A' ' 21' ' ' LEU . 26.1 mt -67.33 -40.57 85.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.559 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.3 mm? -59.45 -50.3 74.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -70.15 -39.29 75.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.564 ' HD3' ' CE2' ' A' ' 51' ' ' PHE . 36.5 ttpt -54.66 -48.75 71.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.41 -40.56 8.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.108 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.71 -50.85 14.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 59' ' ' ARG . 64.4 mt-30 -44.51 -44.08 8.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 58' ' ' GLN . 31.1 ttt85 -34.54 -45.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -41.73 105.7 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.819 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 t -139.18 163.95 31.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -104.49 -170.98 24.73 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 94.37 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.391 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.3 m -81.98 98.84 8.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -113.01 -60.43 1.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.8 p -112.65 -49.32 2.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.862 0.363 . . . . 0.0 110.824 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 m -76.71 125.63 29.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.798 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.32 -66.2 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.472 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.7 p -171.55 148.56 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 0.0 110.821 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -76.63 93.45 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.41 122.83 0.7 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.416 ' HD3' ' C ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -48.8 133.58 17.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 110.917 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 pttm -100.93 174.28 6.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 59.8 m -141.59 111.32 6.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -112.93 148.0 35.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.691 ' CD2' ' CD2' ' A' ' 48' ' ' HIS . 26.0 m95 -92.7 152.67 19.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 t -112.9 170.19 8.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.4 tpm_? -50.69 -40.13 53.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -67.92 -57.02 6.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.434 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 1.7 mp0 -48.5 -35.9 14.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 20' ' ' LEU . 39.0 mt-10 -70.32 -65.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -38.61 -55.55 1.42 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.668 ' HD3' HG23 ' A' ' 38' ' ' ILE . 8.4 ptmt -59.46 -34.88 73.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.488 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 34.9 tp -63.02 -55.14 28.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.966 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.513 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -52.82 -35.28 56.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.898 ' CD2' HD11 ' A' ' 26' ' ' LEU . 74.7 t60 -69.72 -61.63 1.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.834 HD13 HG23 ' A' ' 34' ' ' ILE . 3.9 mt -53.02 -59.95 3.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 23' ' ' LEU . . . -35.79 -48.18 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.2 ttmt -66.81 -49.58 65.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.898 HD11 ' CD2' ' A' ' 22' ' ' HIS . 9.1 mt -50.72 -55.11 18.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.449 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 24.7 mtm -135.0 84.23 37.86 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.603 0.716 . . . . 0.0 110.905 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -11.54 31.08 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.673 2.249 . . . . 0.0 112.319 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.495 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 38.9 p -118.56 27.22 9.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.108 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 29' ' ' THR . 87.1 mm-40 -134.72 36.13 3.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.403 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 76.7 m95 -51.87 -41.75 62.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -61.69 -17.73 56.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.6 m -97.58 -33.68 11.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.148 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.834 HG23 HD13 ' A' ' 23' ' ' LEU . 89.4 mt -76.74 -28.99 17.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.727 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -47.85 -58.27 8.15 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 0.0 111.116 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.727 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.4 Cg_endo -69.77 -11.14 30.22 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.357 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 34' ' ' ILE . 90.7 mt -91.67 -17.8 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.668 HG23 ' HD3' ' A' ' 19' ' ' LYS . 18.3 mt -110.56 -34.05 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.68 -27.64 6.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.521 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.6 176.8 6.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.912 0.387 . . . . 0.0 110.867 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.3 p -85.49 153.42 22.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.65 -47.33 20.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.16 -52.31 65.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.068 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -59.47 -42.77 92.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 70.8 m -61.7 -51.47 68.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.403 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 23.4 tp -62.7 -47.95 81.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -60.12 -51.22 70.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.691 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 70.6 t60 -61.95 -51.02 69.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE1' HD21 ' A' ' 53' ' ' LEU . 28.1 t80 -47.08 -69.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -46.1 -45.45 16.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.512 ' CE2' ' HD3' ' A' ' 55' ' ' LYS . 32.7 t80 -54.28 -40.28 67.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.493 ' CD1' HD21 ' A' ' 21' ' ' LEU . 90.6 mt -60.37 -47.69 84.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.565 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -49.42 -53.68 21.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.94 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -67.88 -46.26 72.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.512 ' HD3' ' CE2' ' A' ' 51' ' ' PHE . 38.9 ttpt -49.85 -42.8 48.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.1 -44.44 71.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.89 -49.43 76.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -62.39 -50.94 69.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -61.99 93.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -97.06 110.54 23.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.4 t -88.79 42.6 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.834 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -131.48 148.2 18.87 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -34.77 13.75 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.634 2.223 . . . . 0.0 112.319 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.7 m -94.65 138.36 32.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.0 m -64.08 151.55 42.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.469 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -61.21 -56.95 14.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 110.796 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 t -101.0 146.3 27.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.71 88.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.2 p -57.08 93.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 110.793 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 t -115.09 132.08 56.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.93 172.91 45.19 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -77.44 -58.2 3.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.869 0.366 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 pmtp? -42.95 149.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.7 m -67.32 126.3 28.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -108.68 138.56 44.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.748 ' CD2' ' CD2' ' A' ' 48' ' ' HIS . 29.6 m95 -89.82 175.61 7.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 14' ' ' ARG . 1.1 t -142.5 151.67 41.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.85 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 13' ' ' SER . 14.5 tpt180 -34.19 -42.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.1 -63.45 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.414 ' HG3' ' NH1' ' A' ' 40' ' ' ARG . 1.3 mm-40 -45.63 -35.95 4.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.939 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 20' ' ' LEU . 48.2 mt-10 -65.39 -63.91 0.99 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' GLU . 15.2 mt-10 -36.16 -57.01 0.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.484 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 7.1 ptmt -63.31 -33.08 74.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 17' ' ' GLU . 34.5 tp -61.3 -53.72 53.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.592 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -53.58 -37.65 63.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.992 ' CD2' HD11 ' A' ' 26' ' ' LEU . 76.2 t60 -68.89 -59.73 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.767 ' HA ' HD12 ' A' ' 26' ' ' LEU . 3.3 mt -56.35 -56.32 22.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -42.68 -46.09 4.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.068 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.77 -42.95 73.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.992 HD11 ' CD2' ' A' ' 22' ' ' HIS . 11.4 mt -55.05 -54.54 41.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.446 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 26.5 mtm -135.0 84.33 37.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.554 0.693 . . . . 0.0 110.874 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -8.87 24.69 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.324 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.475 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 38.5 p -121.38 27.01 8.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' A' ' 29' ' ' THR . 86.4 mm-40 -134.87 38.34 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.599 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 75.1 m95 -54.44 -32.72 58.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -64.85 -20.6 66.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.46 HG22 ' CD1' ' A' ' 37' ' ' ILE . 62.1 m -97.73 -38.84 9.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.563 HG23 HD13 ' A' ' 23' ' ' LEU . 74.6 mt -72.42 -29.41 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.752 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -53.44 -58.66 11.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.597 0.713 . . . . 0.0 111.099 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.752 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.4 Cg_endo -69.75 -12.9 33.85 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.689 2.259 . . . . 0.0 112.314 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.46 ' CD1' HG22 ' A' ' 33' ' ' THR . 84.4 mt -88.49 -16.31 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.7 mt -111.73 -39.39 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 130.3 -29.75 3.6 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.414 ' NH1' ' HG3' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -88.64 -175.93 5.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.376 . . . . 0.0 110.859 -179.858 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.6 p -97.64 153.41 18.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -39.49 -57.7 1.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.056 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.17 -45.19 53.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.056 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.41 ' OE1' ' CG ' ' A' ' 40' ' ' ARG . 88.8 mt-30 -62.36 -49.41 75.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 92.2 m -56.16 -54.01 50.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.813 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.599 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 28.8 tp -61.23 -55.81 27.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -51.35 -58.41 6.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.748 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 23.2 t60 -55.74 -54.05 49.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.572 ' CE1' HD21 ' A' ' 53' ' ' LEU . 33.4 t80 -46.63 -71.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -43.52 -46.06 6.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -54.96 -42.06 71.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.592 HD13 HD21 ' A' ' 21' ' ' LEU . 96.0 mt -57.94 -48.67 79.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.572 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.7 mm? -49.56 -53.28 24.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -64.92 -47.84 76.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -47.99 -43.4 29.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.15 -43.5 95.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.053 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.85 -52.19 61.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -62.46 -44.8 95.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -49.3 116.7 1.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -93.31 116.27 28.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 62' ' ' GLY . 93.5 p -54.42 142.19 27.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 61' ' ' SER . . . -36.63 -83.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 96.09 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.673 2.248 . . . . 0.0 112.317 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.0 t -66.8 110.99 3.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 61.0 p -41.49 146.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.857 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 -179.962 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -117.9 -58.7 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.896 0.379 . . . . 0.0 110.856 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.6 p -102.15 126.93 49.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.75 86.53 0.53 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -113.67 -52.52 2.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.382 . . . . 0.0 110.806 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 m -47.43 132.88 13.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.21 -163.05 13.74 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -115.5 41.6 2.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? 47.17 44.79 15.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.8 t -112.69 143.05 44.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -113.31 137.5 51.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.46 ' CZ3' HD22 ' A' ' 20' ' ' LEU . 13.5 m95 -95.77 161.99 13.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 14' ' ' ARG . 3.8 t -120.59 156.57 31.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.835 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 13' ' ' SER . 21.3 tpp180 -36.82 -41.23 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -65.13 -60.41 3.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -47.45 -37.84 12.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 20' ' ' LEU . 62.0 mt-10 -68.94 -64.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 17' ' ' GLU . 7.8 mm-40 -36.32 -56.03 0.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.648 ' HD3' HG23 ' A' ' 38' ' ' ILE . 8.1 ptmt -61.17 -34.78 75.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 17' ' ' GLU . 38.3 tp -62.07 -51.13 69.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.782 HD21 HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -57.86 -34.2 69.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.862 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.9 ' CD2' HD11 ' A' ' 26' ' ' LEU . 79.2 t60 -68.28 -58.95 3.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.863 HD13 HG23 ' A' ' 34' ' ' ILE . 3.8 mt -55.88 -61.93 2.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 23' ' ' LEU . . . -35.08 -49.02 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -40.34 87.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.9 HD11 ' CD2' ' A' ' 22' ' ' HIS . 9.9 mt -61.84 -53.94 48.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.449 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 31.0 mtm -135.0 85.82 33.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 110.897 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -12.52 32.89 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.254 . . . . 0.0 112.293 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 64.9 p -118.98 30.04 7.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.449 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 93.1 mm-40 -135.01 35.67 3.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -51.32 -40.37 58.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.87 -21.21 56.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.48 HG22 ' CD1' ' A' ' 37' ' ' ILE . 90.9 m -97.18 -37.16 10.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.863 HG23 HD13 ' A' ' 23' ' ' LEU . 94.2 mt -68.21 -30.2 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.755 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -52.74 -59.28 9.16 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.634 0.73 . . . . 0.0 111.103 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.755 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 54.0 Cg_endo -69.71 -10.86 29.65 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.722 2.281 . . . . 0.0 112.358 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.48 ' CD1' HG22 ' A' ' 33' ' ' THR . 95.3 mt -91.42 -17.77 7.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.648 HG23 ' HD3' ' A' ' 19' ' ' LYS . 14.3 mt -111.33 -37.51 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.05 -29.33 4.39 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -89.51 176.08 7.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 110.879 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.1 p -83.62 159.03 21.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.63 -39.8 58.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.81 -40.95 68.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -64.1 -48.35 76.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 85.1 m -59.64 -49.63 77.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.421 HD11 ' OE2' ' A' ' 50' ' ' GLU . 20.9 tp -63.2 -42.41 99.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -60.87 -55.66 30.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -60.04 -50.66 72.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.699 ' HA ' HD12 ' A' ' 52' ' ' LEU . 34.2 t80 -47.92 -69.0 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.421 ' OE2' HD11 ' A' ' 46' ' ' LEU . 13.8 mt-10 -41.42 -44.36 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -60.18 -36.57 77.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.782 HD13 HD21 ' A' ' 21' ' ' LEU . 47.4 mt -61.25 -43.68 98.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.636 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -54.59 -52.36 62.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -68.57 -42.33 78.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -54.7 -43.2 72.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.22 -41.86 84.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.063 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.27 -51.1 70.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -49.71 -50.62 43.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.459 ' HG2' ' N ' ' A' ' 60' ' ' ASP . 7.6 ttm105 -71.06 150.04 45.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.459 ' N ' ' HG2' ' A' ' 59' ' ' ARG . 4.4 m-20 -106.81 124.44 49.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 62' ' ' GLY . 5.4 m -118.66 106.09 12.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 61' ' ' SER . . . 34.33 -97.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.41 ' N ' ' O ' ' A' ' 61' ' ' SER . 54.2 Cg_endo -69.72 179.65 3.53 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.697 2.265 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.3 t -146.61 129.03 15.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.1 m -133.25 148.88 51.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -77.93 147.42 35.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 0.0 110.862 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -125.56 93.06 3.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.81 89.32 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.6 m -154.98 164.37 39.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -147.1 173.93 12.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.62 -114.32 0.82 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.3 tptt -104.92 -53.98 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -49.87 134.66 20.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.8 m -72.39 136.49 46.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -135.77 141.06 44.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.689 ' CD2' ' CD2' ' A' ' 48' ' ' HIS . 19.6 m95 -95.78 172.76 7.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.1 m -140.19 168.13 20.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.836 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -45.35 -40.29 7.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -64.66 -63.89 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.499 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 1.6 mp0 -49.11 -34.77 14.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.428 ' O ' HD23 ' A' ' 21' ' ' LEU . 56.9 mt-10 -69.44 -63.95 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 17' ' ' GLU . 5.8 mm-40 -38.44 -57.44 1.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 1.6 ptmt -58.48 -36.0 73.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.602 HD22 ' CZ3' ' A' ' 12' ' ' TRP . 27.4 tp -61.25 -56.62 18.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.533 ' H ' HD23 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -51.06 -37.36 45.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.97 ' CD2' HD11 ' A' ' 26' ' ' LEU . 72.8 t60 -67.6 -62.61 1.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.78 HD22 HG12 ' A' ' 34' ' ' ILE . 2.9 mt -53.99 -57.95 9.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -39.18 -45.27 1.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -70.68 -42.47 70.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.97 HD11 ' CD2' ' A' ' 22' ' ' HIS . 10.1 mt -58.77 -56.12 26.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.449 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 15.9 mtm -135.01 86.97 30.73 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.547 0.689 . . . . 0.0 110.896 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.472 ' O ' ' NE1' ' A' ' 31' ' ' TRP . 53.5 Cg_endo -69.75 -37.66 8.9 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.8 p -92.42 24.28 3.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.449 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 97.5 mm-40 -131.73 39.49 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.683 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 77.8 m95 -54.65 -38.35 66.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -58.84 -18.78 35.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.461 HG22 ' CD1' ' A' ' 37' ' ' ILE . 49.9 m -97.35 -35.46 10.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.78 HG12 HD22 ' A' ' 23' ' ' LEU . 85.4 mt -74.7 -20.94 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.752 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -63.06 -58.64 15.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.539 0.685 . . . . 0.0 111.079 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.752 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 54.1 Cg_endo -69.75 -11.94 31.89 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.461 ' CD1' HG22 ' A' ' 33' ' ' THR . 95.3 mt -90.68 -20.64 6.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.8 mt -107.01 -36.62 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.51 -25.37 6.6 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -91.2 176.77 6.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 110.882 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 80.9 p -88.27 146.56 25.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -38.22 -52.05 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.52 -44.64 85.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -62.62 -46.47 88.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 94.9 m -60.68 -52.82 63.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.683 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 21.8 tp -62.16 -48.67 79.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -56.71 -54.27 48.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.689 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 76.2 t60 -60.16 -50.11 74.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.588 ' CE1' HD21 ' A' ' 53' ' ' LEU . 35.1 t80 -48.5 -70.71 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -42.18 -44.88 3.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -57.17 -40.14 76.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.8 mt -59.23 -44.59 92.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.588 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -52.73 -52.42 56.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -67.16 -45.4 77.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -51.71 -37.52 51.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.28 -33.54 73.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -84.97 -43.05 14.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -63.67 -50.0 70.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -46.35 157.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.6 t0 66.5 41.82 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.9 t -98.6 -51.01 4.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -132.07 86.32 0.29 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.452 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 122.38 9.06 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.652 2.235 . . . . 0.0 112.349 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.0 p -121.73 -43.66 2.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.7 p 38.25 42.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.504 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -49.27 -48.93 45.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.897 0.38 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -147.69 162.34 39.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.806 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.17 69.54 2.21 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -131.39 96.78 4.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 110.846 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.8 p -131.51 157.92 42.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.97 -49.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm -56.19 -58.82 6.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -110.92 176.54 4.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 62.9 m -120.79 100.56 7.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.111 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.18 140.05 37.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.703 ' CD2' ' CD2' ' A' ' 48' ' ' HIS . 34.9 m95 -84.84 151.01 24.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.95 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.3 m -116.48 163.51 15.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -42.75 -41.3 3.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.71 -59.61 3.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.474 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 54.2 mt-10 -45.33 -38.48 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.428 ' O ' HD23 ' A' ' 21' ' ' LEU . 47.0 mt-10 -70.3 -64.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -39.3 -55.1 1.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.477 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 5.5 ptmt -60.49 -34.4 74.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.665 HD23 HD11 ' A' ' 52' ' ' LEU . 29.5 tp -62.9 -55.15 28.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.923 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -53.03 -38.09 62.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.934 ' CD2' HD11 ' A' ' 26' ' ' LEU . 76.7 t60 -66.53 -58.54 4.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.804 ' HA ' HD12 ' A' ' 26' ' ' LEU . 3.4 mt -54.63 -63.03 1.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 23' ' ' LEU . . . -34.91 -48.71 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -65.76 -43.04 90.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.934 HD11 ' CD2' ' A' ' 22' ' ' HIS . 9.6 mt -58.38 -53.4 58.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.452 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 25.9 mtm -134.98 82.76 42.01 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.565 0.698 . . . . 0.0 110.897 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -0.98 7.73 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.351 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.473 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 29.5 p -130.07 26.48 5.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.473 ' NE2' ' O ' ' A' ' 29' ' ' THR . 79.8 mm-40 -133.54 37.49 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 76.7 m95 -51.88 -41.49 61.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -59.29 -18.65 39.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.409 ' C ' ' HD2' ' A' ' 36' ' ' PRO . 25.0 m -97.6 -38.06 9.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.792 HG23 HD13 ' A' ' 23' ' ' LEU . 66.8 mt -70.53 -28.14 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.731 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -53.77 -58.25 14.0 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 111.143 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.731 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.4 Cg_endo -69.77 -11.14 30.22 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.687 2.258 . . . . 0.0 112.322 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 94.0 mt -91.72 -17.58 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.4 mt -110.92 -33.5 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.74 -30.06 5.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.93 178.69 6.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 65.7 p -90.53 154.9 19.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.42 -42.21 6.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.06 -55.03 29.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.073 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -55.45 -42.1 73.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 92.2 m -63.43 -50.73 68.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.5 tp -61.95 -56.36 19.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -50.11 -53.25 28.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.703 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 44.5 t60 -60.32 -55.32 35.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.892 ' HA ' HD12 ' A' ' 52' ' ' LEU . 37.2 t80 -46.36 -66.49 0.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.417 ' HA ' HD23 ' A' ' 53' ' ' LEU . 6.9 mm-40 -43.55 -46.72 7.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -56.66 -37.28 70.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.923 HD13 HD21 ' A' ' 21' ' ' LEU . 18.1 mt -61.12 -43.8 98.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.574 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.4 mm? -54.5 -53.19 57.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -65.63 -40.12 92.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.2 tttm -59.58 -45.91 90.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.44 -47.45 48.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.25 -43.92 79.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -54.87 -49.8 70.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -70.33 85.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -99.38 41.66 1.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 t -119.08 -60.92 1.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 124.14 143.93 6.33 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 138.77 38.71 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.3 t -129.33 -58.43 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 m -131.87 140.23 49.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.826 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.2 p -132.38 -47.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.842 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 m -120.95 169.66 10.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.89 -89.62 1.56 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.467 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.5 p -116.69 148.92 40.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 110.864 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 p -83.61 141.18 31.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.44 -151.65 7.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -89.37 133.86 34.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.91 0.385 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -102.09 124.25 47.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.772 HG22 HH12 ' A' ' 40' ' ' ARG . 9.6 m -114.15 38.3 3.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.183 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -53.26 146.08 12.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.758 ' CZ3' HD22 ' A' ' 20' ' ' LEU . 35.2 m95 -81.07 147.05 30.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 14' ' ' ARG . 4.0 m -112.98 149.99 32.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 13' ' ' SER . 6.5 tpp85 -34.05 -39.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -66.83 -61.35 2.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.528 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 20.1 mt-10 -47.13 -37.49 9.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.424 ' O ' HD23 ' A' ' 21' ' ' LEU . 48.3 mt-10 -68.52 -65.33 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -38.98 -57.59 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.684 ' HD3' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -57.69 -35.62 70.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.758 HD22 ' CZ3' ' A' ' 12' ' ' TRP . 27.5 tp -61.64 -54.5 41.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -54.19 -34.92 61.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.914 ' CD2' HD11 ' A' ' 26' ' ' LEU . 76.6 t60 -71.03 -65.54 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.747 ' HA ' HD12 ' A' ' 26' ' ' LEU . 2.9 mt -54.52 -53.11 58.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.86 -48.56 11.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.36 -39.83 77.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.914 HD11 ' CD2' ' A' ' 22' ' ' HIS . 15.7 mt -57.03 -52.76 63.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.452 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 33.3 mtm -135.03 86.35 32.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.605 0.717 . . . . 0.0 110.869 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -9.56 26.41 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.356 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.3 p -121.61 28.89 7.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.452 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 94.6 mm-40 -134.96 35.56 3.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.636 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 76.0 m95 -52.18 -36.91 53.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -64.42 -20.92 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.6 m -97.45 -35.61 10.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.494 HG12 HD22 ' A' ' 23' ' ' LEU . 97.3 mt -72.56 -30.59 34.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.742 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -52.12 -58.5 11.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.564 0.697 . . . . 0.0 111.086 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.742 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.9 Cg_endo -69.75 -7.48 21.15 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.668 2.246 . . . . 0.0 112.342 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 92.4 mt -95.47 -20.58 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.684 HG23 ' HD3' ' A' ' 19' ' ' LYS . 28.2 mt -107.12 -37.23 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.166 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.82 28.53 3.64 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.522 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.772 HH12 HG22 ' A' ' 10' ' ' THR . 40.3 mtp85 -143.31 -178.67 5.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.926 0.393 . . . . 0.0 110.838 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 44' ' ' GLN . 23.5 p -90.54 131.85 36.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.119 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 41' ' ' THR . . . -33.88 -43.8 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.8 84.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.079 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 41' ' ' THR . 10.6 mt-30 -59.85 -52.56 64.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 88.3 m -54.62 -50.51 67.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.636 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 23.8 tp -61.44 -55.06 35.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -53.72 -60.82 2.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.747 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 70.1 t60 -53.92 -52.06 61.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.589 ' CE1' HD21 ' A' ' 53' ' ' LEU . 28.6 t80 -43.69 -72.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -43.22 -48.29 6.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.583 ' CE2' ' HD3' ' A' ' 55' ' ' LYS . 47.6 t80 -52.86 -38.24 61.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.412 HD13 HD21 ' A' ' 21' ' ' LEU . 84.9 mt -62.44 -42.46 99.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.589 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.7 mm? -56.19 -51.47 67.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -70.33 -39.36 74.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.808 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.583 ' HD3' ' CE2' ' A' ' 51' ' ' PHE . 19.4 ttpp -53.85 -43.94 69.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.33 -46.17 83.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.52 -49.45 77.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -47.45 -45.46 25.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -61.5 156.37 19.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.91 123.72 32.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.0 t -64.41 -55.15 22.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -159.43 -155.14 7.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -34.21 15.08 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 61.9 m -97.7 171.39 8.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.6 p -104.28 -47.61 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.826 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.491 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.4 p -121.68 99.03 6.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.94 0.4 . . . . 0.0 110.837 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -57.83 175.3 0.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.21 99.53 2.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p -145.69 151.36 37.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.847 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m -84.84 -52.75 5.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.55 -137.5 2.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.517 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.17 100.39 4.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -142.54 142.82 32.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.405 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 24.0 m -76.63 135.8 39.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -118.73 128.94 54.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.566 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 23.9 m95 -83.23 141.67 31.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 14' ' ' ARG . 39.5 m -109.25 160.34 16.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 13' ' ' SER . 6.4 ttp-105 -33.91 -64.28 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -42.97 -61.86 1.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -48.88 -39.85 27.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 20' ' ' LEU . 52.0 mt-10 -68.32 -65.27 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 17' ' ' GLU . 5.3 mm-40 -37.8 -56.5 1.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.752 ' HD3' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -60.14 -34.06 73.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.478 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 33.9 tp -62.86 -53.55 52.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.858 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -54.97 -36.12 65.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.865 ' CD2' HD11 ' A' ' 26' ' ' LEU . 80.1 t60 -68.58 -59.25 3.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.913 HD13 HG23 ' A' ' 34' ' ' ILE . 4.3 mt -56.65 -59.65 4.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -37.85 -47.6 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -68.16 -41.05 82.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.865 HD11 ' CD2' ' A' ' 22' ' ' HIS . 9.8 mt -60.3 -54.0 50.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.443 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 31.5 mtm -135.03 85.31 34.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.586 0.707 . . . . 0.0 110.882 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -10.12 27.74 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.305 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.427 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 40.7 p -120.86 29.16 7.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.154 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.443 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 86.9 mm-40 -134.8 38.24 3.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.468 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 73.3 m95 -53.73 -37.42 63.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 ttm-85 -62.44 -21.11 65.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.453 HG22 ' CD1' ' A' ' 37' ' ' ILE . 74.6 m -97.66 -36.7 10.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.913 HG23 HD13 ' A' ' 23' ' ' LEU . 82.7 mt -72.76 -26.6 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.754 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -54.33 -59.3 10.54 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.575 0.702 . . . . 0.0 111.103 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.754 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 54.1 Cg_endo -69.71 -14.39 36.18 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.721 2.281 . . . . 0.0 112.381 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.453 ' CD1' HG22 ' A' ' 33' ' ' THR . 90.2 mt -89.11 -15.11 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.752 HG23 ' HD3' ' A' ' 19' ' ' LYS . 17.2 mt -112.64 -35.01 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.28 -32.01 3.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.38 179.59 5.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.897 0.379 . . . . 0.0 110.864 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.7 p -84.09 168.23 16.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.186 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.61 -44.43 93.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.9 -40.64 91.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -63.48 -53.87 45.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 83.9 m -52.79 -42.42 65.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.468 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 20.9 tp -70.6 -45.53 65.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -58.3 -55.51 34.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 12' ' ' TRP . 68.2 t60 -59.67 -54.92 40.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.772 ' HA ' HD12 ' A' ' 52' ' ' LEU . 31.5 t80 -43.68 -67.89 0.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -44.14 -48.65 9.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -54.04 -36.43 63.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.858 HD13 HD21 ' A' ' 21' ' ' LEU . 25.9 mt -62.82 -44.99 94.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.614 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -53.36 -52.82 58.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -70.6 -39.08 74.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.8 tttt -56.76 -45.69 81.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.13 -41.83 62.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.36 -47.39 78.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.087 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 59' ' ' ARG . 40.5 mt-30 -56.68 -45.59 81.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 58' ' ' GLN . 43.3 ttm180 -34.55 117.29 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -100.18 90.34 4.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.5 p -112.26 -45.0 3.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -90.42 -159.84 35.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.526 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 153.13 69.27 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.66 2.24 . . . . 0.0 112.365 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.2 t -56.21 101.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.847 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.4 m -146.33 177.46 9.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.52 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 p -131.02 158.38 40.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.843 0.354 . . . . 0.0 110.85 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 m -123.98 149.27 46.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.796 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.71 59.45 0.78 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.545 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 t -143.34 164.81 29.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.835 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 m -42.03 162.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.24 43.24 0.57 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.66 137.12 52.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.344 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -155.6 133.35 11.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.477 HG23 ' NH2' ' A' ' 40' ' ' ARG . 55.6 m -89.3 86.48 6.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -117.75 123.19 45.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.873 ' CZ3' HD22 ' A' ' 20' ' ' LEU . 20.4 m95 -106.96 154.71 20.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 15' ' ' GLU . 3.6 t -112.32 152.37 28.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 13' ' ' SER . 11.5 tpp180 -34.77 -33.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 13' ' ' SER . 7.1 mt-10 -74.88 -70.2 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 15' ' ' GLU . 2.6 mp0 -34.41 -40.29 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' LEU . 54.5 mt-10 -66.18 -61.2 2.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 17' ' ' GLU . 51.0 mt-10 -37.96 -58.95 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.474 ' HD3' HG23 ' A' ' 38' ' ' ILE . 1.8 ptmt -57.59 -32.95 67.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.873 HD22 ' CZ3' ' A' ' 12' ' ' TRP . 15.8 tp -65.29 -55.54 17.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.916 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.509 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -53.19 -32.87 50.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.915 ' CD2' HD11 ' A' ' 26' ' ' LEU . 79.2 t60 -72.43 -57.91 3.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.791 HD13 HG23 ' A' ' 34' ' ' ILE . 4.9 mt -57.64 -55.44 34.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -42.39 -48.28 5.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -67.77 -43.18 80.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.915 HD11 ' CD2' ' A' ' 22' ' ' HIS . 10.3 mt -55.92 -53.76 52.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.451 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 30.4 mtm -134.31 83.99 42.6 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.561 0.696 . . . . 0.0 110.887 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.07 3.85 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.63 2.22 . . . . 0.0 112.344 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.5 p -135.02 28.45 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.451 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 96.7 mm-40 -134.68 38.02 3.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.611 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 78.2 m95 -52.6 -35.6 54.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -60.98 -21.42 63.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.572 HG22 ' CD1' ' A' ' 37' ' ' ILE . 92.8 m -97.75 -37.9 9.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.791 HG23 HD13 ' A' ' 23' ' ' LEU . 44.5 mt -70.57 -25.83 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.732 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -58.78 -58.3 20.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.594 0.711 . . . . 0.0 111.121 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.732 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.3 Cg_endo -69.8 -14.95 36.69 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.289 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.572 ' CD1' HG22 ' A' ' 33' ' ' THR . 87.8 mt -86.45 -23.85 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.162 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.474 HG23 ' HD3' ' A' ' 19' ' ' LYS . 10.9 mt -103.34 -37.9 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.127 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.76 -34.15 2.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.492 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.568 ' HD3' ' CZ2' ' A' ' 12' ' ' TRP . 16.9 mtp85 -92.19 177.75 6.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.368 . . . . 0.0 110.881 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.8 p -82.58 170.97 14.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.53 -50.28 70.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.36 -69.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -37.56 -47.6 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 91.5 m -61.11 -58.66 7.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.611 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 19.2 tp -52.52 -55.45 22.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -42.95 -60.91 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.694 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 75.4 t60 -56.65 -54.09 50.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.613 ' CE1' HD21 ' A' ' 53' ' ' LEU . 31.3 t80 -44.06 -68.97 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.445 ' HA ' HD23 ' A' ' 53' ' ' LEU . 13.2 mm-40 -44.17 -49.08 9.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -52.6 -41.24 63.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.503 HD13 HD21 ' A' ' 21' ' ' LEU . 83.9 mt -58.52 -49.01 78.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.613 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -47.78 -54.37 12.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -65.47 -46.46 79.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -51.0 -45.54 61.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.55 -47.41 63.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.77 -46.03 92.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -53.14 -43.98 67.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -51.67 -45.75 63.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -45.39 113.89 0.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.2 t -94.12 143.78 26.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.51 -64.49 1.89 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.468 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.468 ' O ' ' C ' ' A' ' 64' ' ' SER . 53.5 Cg_endo -69.78 4.33 2.26 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.716 2.277 . . . . 0.0 112.326 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 63' ' ' PRO . 82.7 p -32.97 -56.95 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.3 t -64.83 141.58 58.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.828 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.49 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.8 p -53.41 167.96 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.852 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.2 t -87.0 -56.74 3.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.29 79.28 1.19 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.53 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 t -98.27 86.18 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.927 0.394 . . . . 0.0 110.861 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 t -49.08 114.36 0.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.45 -140.62 11.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -78.15 161.24 27.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -103.98 127.79 51.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.477 HG23 HH21 ' A' ' 40' ' ' ARG . 87.0 m -94.93 95.65 8.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -115.56 127.02 54.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.617 ' CD2' ' CD2' ' A' ' 48' ' ' HIS . 21.1 m95 -98.78 162.27 13.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 14' ' ' ARG . 2.1 t -123.98 153.99 40.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 13' ' ' SER . 18.4 ttt180 -36.36 -37.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -67.96 -63.77 0.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 16.5 mt-10 -50.46 -37.8 40.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' LEU . 34.5 mt-10 -70.36 -61.89 1.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 17' ' ' GLU . 4.7 mm-40 -37.61 -56.43 1.04 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.481 ' HG2' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -59.06 -35.96 74.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.491 HD22 ' CZ3' ' A' ' 12' ' ' TRP . 30.9 tp -62.39 -54.94 33.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.94 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.767 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -53.29 -38.58 63.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.854 ' CD2' HD11 ' A' ' 26' ' ' LEU . 80.9 t60 -64.87 -57.32 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.854 HD13 HG23 ' A' ' 34' ' ' ILE . 3.7 mt -57.09 -64.45 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 23' ' ' LEU . . . -34.29 -47.6 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -66.75 -42.35 86.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.854 HD11 ' CD2' ' A' ' 22' ' ' HIS . 9.5 mt -59.4 -54.04 51.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.958 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.456 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 27.1 mtm -135.0 84.53 37.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.578 0.704 . . . . 0.0 110.88 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.41 23.52 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.7 2.267 . . . . 0.0 112.354 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 63.7 p -121.75 26.65 8.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.456 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 94.0 mm-40 -134.33 36.22 3.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.485 ' CE2' HD13 ' A' ' 46' ' ' LEU . 77.8 m95 -52.18 -40.08 60.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -59.67 -18.53 42.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.824 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 62.5 m -97.38 -35.3 10.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.854 HG23 HD13 ' A' ' 23' ' ' LEU . 90.5 mt -71.75 -33.35 48.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.716 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -50.06 -57.45 12.6 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.569 0.7 . . . . 0.0 111.083 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.716 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 54.0 Cg_endo -69.78 -11.71 31.38 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.656 2.237 . . . . 0.0 112.365 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 95.9 mt -90.95 -17.94 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.8 mt -110.23 -34.91 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 125.33 -31.77 4.13 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.563 ' HD3' ' CZ2' ' A' ' 12' ' ' TRP . 16.3 mtt85 -91.94 172.28 8.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.923 0.392 . . . . 0.0 110.846 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 50.4 p -79.84 162.23 25.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.48 -39.74 70.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.072 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.21 -49.99 72.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -61.16 -46.66 89.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.4 m -62.46 -53.51 53.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.485 HD13 ' CE2' ' A' ' 31' ' ' TRP . 25.9 tp -59.46 -50.03 75.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -53.91 -54.25 41.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.617 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 74.6 t60 -59.52 -53.7 55.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.584 ' HA ' HD12 ' A' ' 52' ' ' LEU . 31.7 t80 -43.44 -67.74 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.959 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -44.96 -49.19 11.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -52.46 -37.7 57.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.767 HD13 HD21 ' A' ' 21' ' ' LEU . 47.2 mt -61.79 -43.95 97.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.565 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.5 mm? -54.77 -52.16 63.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -65.78 -43.68 88.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -53.34 -48.92 68.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.16 -47.14 81.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.75 -45.24 49.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -56.63 -43.16 79.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.0 ttp85 -54.12 117.38 3.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -118.0 130.11 55.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.4 m -82.0 177.58 8.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.41 145.81 1.07 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.456 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 172.86 11.84 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.678 2.252 . . . . 0.0 112.407 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.2 t -134.31 125.98 28.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.4 m 52.95 42.1 32.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.504 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.0 p -50.01 -43.51 50.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.893 0.378 . . . . 0.0 110.831 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 m -159.4 136.08 9.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.72 155.48 27.95 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.3 t -64.73 -61.59 2.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.836 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -140.95 130.81 24.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.855 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.87 119.84 3.83 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -123.2 101.76 7.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -113.15 156.87 22.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.7 m -130.57 102.69 6.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -90.13 131.93 35.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.542 ' CE3' ' HB3' ' A' ' 16' ' ' GLU . 25.8 m95 -90.29 154.05 20.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.4 t -118.1 159.36 23.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.94 -44.34 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -61.95 -61.41 2.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.542 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 34.3 mt-10 -45.31 -40.11 7.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 20' ' ' LEU . 37.6 mt-10 -68.51 -66.45 0.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 17' ' ' GLU . 31.2 mm-40 -36.84 -55.58 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.892 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.725 ' HD3' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -61.52 -35.13 76.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.512 HD22 ' CZ3' ' A' ' 12' ' ' TRP . 40.5 tp -61.48 -52.48 64.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.802 HD21 HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -55.75 -36.92 67.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.776 ' CD2' HD11 ' A' ' 26' ' ' LEU . 81.3 t60 -65.67 -56.34 12.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.769 HD13 HG23 ' A' ' 34' ' ' ILE . 5.2 mt -62.62 -60.34 3.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -38.07 -44.93 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.62 -42.92 67.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.776 HD11 ' CD2' ' A' ' 22' ' ' HIS . 9.3 mt -57.97 -54.03 51.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.585 ' O ' HD11 ' A' ' 34' ' ' ILE . 30.5 mtm -134.74 86.84 32.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.545 0.688 . . . . 0.0 110.848 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -16.6 37.78 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.645 2.23 . . . . 0.0 112.391 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.428 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 69.3 p -113.58 28.32 8.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.453 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 94.9 mm-40 -135.06 39.96 2.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.476 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 76.2 m95 -54.95 -37.33 66.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -60.04 -21.37 61.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.632 HG22 ' CD1' ' A' ' 37' ' ' ILE . 85.8 m -97.74 -37.32 9.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.769 HG23 HD13 ' A' ' 23' ' ' LEU . 43.6 mt -69.48 -24.26 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.751 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -61.42 -58.83 16.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.558 0.694 . . . . 0.0 111.059 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.751 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.8 Cg_endo -69.72 -13.69 35.14 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.385 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.632 ' CD1' HG22 ' A' ' 33' ' ' THR . 96.1 mt -89.65 -23.7 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.725 HG23 ' HD3' ' A' ' 19' ' ' LYS . 18.0 mt -103.69 -35.06 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.87 -30.58 4.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.5 179.74 5.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 110.903 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 82.1 p -88.06 156.84 19.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -49.04 -43.3 40.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.059 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.05 -44.24 89.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -62.35 -45.24 94.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 95.3 m -62.91 -51.38 67.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.476 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 16.6 tp -61.97 -50.74 70.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -53.96 -54.12 43.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -61.48 -55.21 33.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.867 ' HA ' HD12 ' A' ' 52' ' ' LEU . 36.8 t80 -44.47 -67.01 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -44.44 -47.24 9.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -56.06 -36.93 68.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.867 HD12 ' HA ' ' A' ' 49' ' ' TYR . 20.7 mt -61.58 -49.51 76.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.605 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.7 mm? -48.26 -51.72 24.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -66.46 -45.46 79.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -52.86 -43.64 66.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.45 -40.12 81.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.07 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.88 -49.51 74.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -61.48 -44.42 97.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -42.54 124.26 2.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -50.98 142.96 11.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.9 t 51.9 42.26 30.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.95 145.33 46.05 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 148.93 66.01 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.664 2.243 . . . . 0.0 112.34 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.4 t 65.77 42.49 3.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.8 m -133.15 155.05 50.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.523 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m 48.76 42.1 19.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.882 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -110.81 83.72 1.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.03 -56.7 0.19 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t 51.7 42.19 29.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.947 0.404 . . . . 0.0 110.906 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 t -60.06 126.71 28.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.68 -92.87 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.446 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -151.25 153.8 35.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -150.53 116.75 5.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.4 m -59.7 115.5 3.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -120.03 139.59 52.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.573 ' CD2' ' CD2' ' A' ' 48' ' ' HIS . 26.1 m95 -78.81 175.23 10.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.5 t -130.59 172.11 12.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -62.22 -22.35 65.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -85.41 -48.54 8.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -54.07 -34.89 61.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 20' ' ' LEU . 54.1 mt-10 -66.05 -61.46 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 17' ' ' GLU . 20.8 mt-10 -35.35 -57.72 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.625 ' HD3' HG23 ' A' ' 38' ' ' ILE . 6.7 ptmt -61.8 -34.36 75.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 17' ' ' GLU . 35.4 tp -61.02 -52.28 65.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.541 HD21 HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -55.78 -34.91 65.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.914 ' CD2' HD11 ' A' ' 26' ' ' LEU . 74.2 t60 -70.72 -62.54 1.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.774 HD13 HG23 ' A' ' 34' ' ' ILE . 4.0 mt -53.79 -53.42 52.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.11 -47.69 8.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.072 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -68.38 -40.89 81.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.914 HD11 ' CD2' ' A' ' 22' ' ' HIS . 11.9 mt -58.47 -53.42 58.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.932 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.454 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 32.3 mtm -135.01 85.02 35.58 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.623 0.725 . . . . 0.0 110.842 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -6.22 18.09 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 55.6 p -125.34 27.56 6.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.454 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 96.9 mm-40 -134.97 38.15 3.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -52.0 -39.35 59.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -57.92 -20.05 34.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.4 ' C ' ' HD2' ' A' ' 36' ' ' PRO . 91.4 m -97.54 -35.59 10.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.774 HG23 HD13 ' A' ' 23' ' ' LEU . 92.5 mt -73.38 -21.09 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.715 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -61.03 -57.5 25.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.572 0.701 . . . . 0.0 111.142 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.715 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.2 Cg_endo -69.82 -13.28 34.31 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.653 2.235 . . . . 0.0 112.28 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.9 mt -87.65 -24.64 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.113 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.625 HG23 ' HD3' ' A' ' 19' ' ' LYS . 9.4 mt -103.51 -39.58 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 129.92 -30.33 3.56 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.507 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.71 -176.9 4.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 110.889 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.8 p -90.85 158.23 16.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.06 -53.1 17.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.91 -45.5 71.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -61.81 -52.22 65.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.413 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 99.1 m -52.36 -46.32 66.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.8 tp -64.38 -51.34 63.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -55.14 -53.79 51.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.573 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 55.0 t60 -60.87 -53.14 60.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.509 ' CE1' HD21 ' A' ' 53' ' ' LEU . 31.8 t80 -46.89 -68.88 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -44.95 -48.57 11.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -50.6 -40.25 52.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.541 HD13 HD21 ' A' ' 21' ' ' LEU . 96.5 mt -60.7 -44.56 96.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.509 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -53.76 -51.39 63.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -68.93 -41.51 78.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -57.61 -33.9 68.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.49 -29.2 61.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.94 -49.17 12.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -62.78 -48.44 79.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -50.37 172.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.0 t70 64.28 41.75 5.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -140.75 156.31 46.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 177.19 175.17 44.25 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.445 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -48.96 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.638 2.225 . . . . 0.0 112.346 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.2 m -101.89 92.52 4.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.6 t -78.17 152.21 32.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.506 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 m -89.65 -59.26 2.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.85 0.357 . . . . 0.0 110.889 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -129.98 118.72 22.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.29 156.21 27.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 t -95.04 143.13 26.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 110.843 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.7 p -120.85 91.92 3.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.789 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.22 -137.23 13.23 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -62.71 125.09 22.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.91 0.386 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -88.54 114.72 25.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 10' ' ' THR . 18.9 m -82.64 40.67 0.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -57.21 150.16 18.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.695 ' CD2' ' CD2' ' A' ' 48' ' ' HIS . 28.4 m95 -89.91 -177.23 5.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 t -149.03 169.97 19.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.867 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -49.55 -42.09 43.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -66.08 -62.73 1.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -41.77 -41.47 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 20' ' ' LEU . 68.3 mt-10 -63.32 -63.34 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' GLU . 13.2 mt-10 -36.49 -59.87 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.602 ' HD3' HG23 ' A' ' 38' ' ' ILE . 6.2 ptmt -59.34 -32.92 70.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.488 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 24.6 tp -62.7 -53.18 58.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.509 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -54.92 -34.07 62.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.813 ' CD2' HD11 ' A' ' 26' ' ' LEU . 77.3 t60 -71.47 -62.84 1.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.755 ' HA ' HD12 ' A' ' 26' ' ' LEU . 3.3 mt -56.35 -53.36 58.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.22 -47.93 12.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.39 -42.66 82.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.813 HD11 ' CD2' ' A' ' 22' ' ' HIS . 11.9 mt -55.92 -53.23 59.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.454 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 29.9 mtm -135.01 82.92 41.38 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.58 0.705 . . . . 0.0 110.905 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -2.07 9.51 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.419 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 49.9 p -127.18 23.38 6.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.454 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 78.7 mm-40 -130.26 36.88 3.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.822 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 79.8 m95 -51.65 -38.15 53.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -63.94 -21.41 66.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.6 m -97.63 -35.12 10.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.535 ' HA ' HD12 ' A' ' 37' ' ' ILE . 94.6 mt -76.44 -25.01 16.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.706 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -52.84 -57.12 17.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.569 0.699 . . . . 0.0 111.056 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.706 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 54.0 Cg_endo -69.76 -8.56 23.91 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.691 2.26 . . . . 0.0 112.326 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 34' ' ' ILE . 93.0 mt -92.76 -19.54 6.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.602 HG23 ' HD3' ' A' ' 19' ' ' LYS . 12.5 mt -110.39 -37.88 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.22 -26.42 5.82 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.21 174.43 7.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.4 p -83.06 148.6 27.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.497 ' HB1' ' CB ' ' A' ' 31' ' ' TRP . . . -41.6 -52.37 3.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.064 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.94 -42.65 90.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.103 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -62.63 -47.04 85.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.4 m -61.16 -44.79 96.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.822 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 25.4 tp -67.28 -46.16 74.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.35 -50.88 69.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.695 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 28.7 t60 -65.33 -50.59 65.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.523 ' CE1' HD21 ' A' ' 53' ' ' LEU . 29.6 t80 -49.27 -67.21 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -45.26 -45.77 12.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -54.57 -39.74 68.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.436 ' CD1' HD21 ' A' ' 21' ' ' LEU . 78.9 mt -59.28 -45.43 91.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.523 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.2 mm? -52.75 -52.71 55.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -68.03 -41.73 81.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -52.59 -44.89 66.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.05 -44.01 51.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.074 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.33 -52.9 42.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -50.77 -46.71 59.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -54.87 132.25 46.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 59.67 43.52 15.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.0 t -104.52 114.5 28.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.6 175.33 50.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 147.29 62.44 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.304 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.3 m -115.68 -58.94 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.0 m -103.18 102.21 12.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.546 -0.222 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.6 p -67.9 89.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.919 0.39 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.5 m -59.77 102.76 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.822 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.46 -143.24 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 t -162.8 118.18 1.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.811 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.0 p -96.43 159.78 14.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.06 55.54 1.56 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -68.89 132.94 47.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -44.65 109.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.472 HG22 ' O ' ' A' ' 10' ' ' THR . 8.9 m 69.48 40.17 1.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -42.36 151.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.733 ' CD2' ' CD2' ' A' ' 48' ' ' HIS . 35.1 m95 -93.16 151.49 19.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.4 t -117.55 158.25 24.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -41.5 -37.78 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -65.52 -61.99 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.444 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 1.7 mp0 -49.22 -38.61 26.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 20' ' ' LEU . 53.3 mt-10 -68.81 -65.1 0.75 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' GLU . 5.0 mm-40 -36.58 -56.31 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.791 ' HD3' HG23 ' A' ' 38' ' ' ILE . 2.7 ptmm? -61.96 -36.82 82.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 17' ' ' GLU . 41.6 tp -57.93 -53.18 61.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.514 ' H ' HD23 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -54.3 -37.72 65.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.873 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 1.01 ' CD2' HD11 ' A' ' 26' ' ' LEU . 75.4 t60 -71.72 -60.69 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.745 ' HA ' HD12 ' A' ' 26' ' ' LEU . 4.0 mt -49.05 -52.41 25.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.48 -45.27 9.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -68.94 -42.59 76.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.01 HD11 ' CD2' ' A' ' 22' ' ' HIS . 8.9 mt -58.31 -55.36 35.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.447 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 26.9 mtm -134.98 85.51 34.56 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.515 0.674 . . . . 0.0 110.878 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -16.67 37.45 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.4 p -115.27 29.4 8.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.447 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 96.9 mm-40 -134.78 37.87 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -52.37 -37.67 56.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -60.4 -20.66 60.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.583 HG22 ' CD1' ' A' ' 37' ' ' ILE . 89.4 m -97.77 -39.0 9.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.699 HG23 HD13 ' A' ' 23' ' ' LEU . 74.5 mt -71.91 -21.56 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.139 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.731 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -62.22 -58.61 16.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.583 0.706 . . . . 0.0 111.154 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.731 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.8 Cg_endo -69.76 -16.67 37.67 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.736 2.291 . . . . 0.0 112.312 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.583 ' CD1' HG22 ' A' ' 33' ' ' THR . 78.5 mt -85.57 -22.97 7.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.791 HG23 ' HD3' ' A' ' 19' ' ' LYS . 12.9 mt -102.35 -36.35 4.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.58 -29.41 4.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.43 ' NH1' ' HG2' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -92.82 173.14 7.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.926 0.393 . . . . 0.0 110.869 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 57.6 p -81.81 160.51 23.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.03 -50.98 25.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.125 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.14 -40.46 93.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -63.8 -42.64 97.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 90.7 m -66.34 -47.3 73.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 18.6 tp -65.67 -47.79 74.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -61.87 -52.02 65.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.733 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 58.7 t60 -62.1 -49.9 74.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.635 ' CE1' HD21 ' A' ' 53' ' ' LEU . 22.3 t80 -45.47 -69.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.496 ' HA ' HD23 ' A' ' 53' ' ' LEU . 7.2 mm-40 -44.61 -50.55 9.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 51' ' ' PHE . 3.0 t80 -48.26 -41.55 28.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.495 HD13 HD21 ' A' ' 21' ' ' LEU . 93.5 mt -59.72 -46.78 88.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.635 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.5 mm? -51.9 -55.54 19.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -60.5 -43.04 97.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.423 ' HA ' ' CD ' ' A' ' 58' ' ' GLN . 18.5 tttm -56.25 -42.04 76.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.23 -37.88 86.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.067 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.04 -48.71 56.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.423 ' CD ' ' HA ' ' A' ' 55' ' ' LYS . 4.8 pt20 -65.1 -46.36 81.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -62.89 125.41 23.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.78 -54.78 43.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.0 m -62.67 166.08 5.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.96 83.9 0.52 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 177.86 5.15 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.686 2.258 . . . . 0.0 112.356 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 77.7 p -91.02 121.21 32.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 81.9 p -62.5 90.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -134.47 167.46 20.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.342 . . . . 0.0 110.875 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.1 p -81.69 115.6 21.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.56 -118.65 1.52 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.8 p -73.16 109.05 6.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.914 0.388 . . . . 0.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.1 t -60.52 -59.73 4.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.95 -88.55 0.31 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.511 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.73 155.33 16.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -115.05 124.53 51.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.6 m -159.14 112.65 2.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -101.62 133.08 46.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.691 ' CZ3' HD22 ' A' ' 20' ' ' LEU . 12.9 m95 -83.42 147.99 27.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.97 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -96.71 151.66 19.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.899 -179.839 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 13' ' ' SER . 47.9 ttt-85 -37.99 -42.1 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.62 -50.53 57.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.517 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 35.8 mt-10 -51.81 -38.19 54.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.422 ' O ' HD23 ' A' ' 21' ' ' LEU . 63.2 mt-10 -70.73 -63.76 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -39.31 -55.32 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.647 ' HD3' HG23 ' A' ' 38' ' ' ILE . 8.4 ptmt -59.32 -35.08 73.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.691 HD22 ' CZ3' ' A' ' 12' ' ' TRP . 35.0 tp -63.18 -55.0 28.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.861 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -53.39 -35.0 59.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.938 ' CD2' HD11 ' A' ' 26' ' ' LEU . 74.5 t60 -70.55 -61.94 1.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.714 HD13 HG23 ' A' ' 34' ' ' ILE . 4.3 mt -52.85 -52.14 58.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.86 -46.63 15.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.56 -40.94 80.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.938 HD11 ' CD2' ' A' ' 22' ' ' HIS . 10.1 mt -58.59 -53.47 57.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.451 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 33.3 mtm -135.02 83.09 40.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.597 0.713 . . . . 0.0 110.879 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 1.98 3.95 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.66 2.24 . . . . 0.0 112.309 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 78.5 p -131.34 22.1 4.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.148 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.451 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 87.8 mm-40 -130.0 37.81 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -51.39 -41.61 60.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -58.24 -20.66 43.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.576 HG22 ' CD1' ' A' ' 37' ' ' ILE . 64.4 m -97.53 -36.23 10.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.714 HG23 HD13 ' A' ' 23' ' ' LEU . 96.9 mt -69.94 -20.91 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.157 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.756 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -61.65 -59.22 14.05 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.584 0.706 . . . . 0.0 111.084 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.756 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.2 Cg_endo -69.79 -13.93 35.28 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.671 2.247 . . . . 0.0 112.338 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.576 ' CD1' HG22 ' A' ' 33' ' ' THR . 92.7 mt -88.7 -17.48 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.647 HG23 ' HD3' ' A' ' 19' ' ' LYS . 17.1 mt -109.53 -36.39 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.87 -27.51 5.4 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.503 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.77 178.3 5.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.896 0.379 . . . . 0.0 110.86 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.7 p -84.21 160.03 20.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.66 -52.57 38.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.062 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.11 -35.19 69.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.087 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -64.58 -53.29 50.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 93.7 m -55.2 -49.75 71.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 42.5 tp -63.35 -47.9 80.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -57.59 -58.5 8.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.505 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 60.8 t60 -59.3 -53.72 55.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.828 ' HA ' HD12 ' A' ' 52' ' ' LEU . 36.9 t80 -45.5 -67.44 0.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -44.03 -46.52 8.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -56.97 -36.21 70.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.861 HD13 HD21 ' A' ' 21' ' ' LEU . 23.5 mt -62.77 -46.34 88.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.558 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -51.95 -56.45 14.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -64.81 -42.22 95.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -53.41 -52.12 60.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.12 -53.09 8.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.06 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.3 -41.51 28.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 59' ' ' ARG . 81.0 mm-40 -52.76 -36.92 58.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 58' ' ' GLN . 8.8 ptm180 -34.55 138.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.4 p-10 -105.27 41.02 1.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.3 t -58.03 92.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -111.51 153.86 17.03 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.557 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -18.01 37.26 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.695 2.264 . . . . 0.0 112.363 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.5 p -148.6 122.51 9.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.9 p -172.1 165.94 6.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.457 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -115.1 157.18 23.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.4 m -117.72 116.19 26.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.82 176.95 17.15 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.8 p -164.85 145.18 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.891 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -85.85 -46.19 10.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.61 164.27 29.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -92.88 93.53 8.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.362 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.82 150.64 2.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.5 t -80.09 134.81 36.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -73.82 134.17 43.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.687 ' CZ3' HD22 ' A' ' 20' ' ' LEU . 17.2 m95 -94.12 168.49 10.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 t -119.81 153.92 35.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -46.84 -20.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -85.94 -47.73 9.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.475 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 2.6 mm-40 -55.62 -31.83 62.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 20' ' ' LEU . 53.6 mt-10 -68.63 -66.18 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' GLU . 6.6 mm-40 -35.89 -56.22 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.497 ' HD3' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -62.85 -36.33 82.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.687 HD22 ' CZ3' ' A' ' 12' ' ' TRP . 42.1 tp -58.13 -53.62 56.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.608 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -53.52 -39.05 64.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.871 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.98 ' CD2' HD11 ' A' ' 26' ' ' LEU . 65.3 t60 -66.68 -61.58 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.732 ' HA ' HD12 ' A' ' 26' ' ' LEU . 3.6 mt -53.51 -60.39 3.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -36.73 -47.8 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -66.94 -49.69 64.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.98 HD11 ' CD2' ' A' ' 22' ' ' HIS . 9.6 mt -50.51 -55.65 15.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.448 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 26.0 mtm -135.04 87.18 30.01 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.601 0.715 . . . . 0.0 110.857 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.416 ' O ' ' NE1' ' A' ' 31' ' ' TRP . 53.5 Cg_endo -69.85 -28.62 24.59 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.309 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.8 p -101.55 27.56 6.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.448 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 94.0 mm-40 -133.37 37.77 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.483 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 78.9 m95 -53.67 -34.31 58.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -63.3 -19.7 64.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.653 HG22 ' CD1' ' A' ' 37' ' ' ILE . 78.8 m -97.59 -38.16 9.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.147 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.715 HG23 HD13 ' A' ' 23' ' ' LEU . 82.0 mt -72.24 -24.67 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.767 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -61.32 -59.09 14.69 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.559 0.695 . . . . 0.0 111.116 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.767 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.3 Cg_endo -69.78 -13.9 35.27 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.75 2.3 . . . . 0.0 112.309 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.653 ' CD1' HG22 ' A' ' 33' ' ' THR . 82.2 mt -88.9 -16.65 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.497 HG23 ' HD3' ' A' ' 19' ' ' LYS . 19.1 mt -110.67 -37.9 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.63 -27.91 4.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.517 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.68 178.62 6.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 110.848 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 47.8 p -90.26 151.33 21.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -42.36 -50.86 5.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.32 -43.54 98.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -60.96 -44.59 97.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.507 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 90.3 m -62.81 -52.38 63.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.483 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 20.5 tp -62.03 -41.36 98.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -61.67 -55.56 29.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 38.5 t60 -59.97 -53.71 54.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.587 ' CE1' HD21 ' A' ' 53' ' ' LEU . 38.5 t80 -44.85 -69.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -44.14 -45.57 8.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -57.64 -40.24 78.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.608 HD13 HD21 ' A' ' 21' ' ' LEU . 83.5 mt -58.21 -48.94 78.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.587 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.7 mm? -48.12 -52.59 19.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -64.03 -48.12 77.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -51.24 -43.22 61.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.51 -41.88 88.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.76 -49.54 74.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 59' ' ' ARG . 7.4 pt20 -63.46 -42.7 98.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 58' ' ' GLN . 23.5 ttt180 -38.19 143.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 61' ' ' SER . 11.1 m-20 -60.19 170.85 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 60' ' ' ASP . 78.6 p 34.68 44.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.82 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -99.77 146.19 17.76 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.521 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -0.4 6.81 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.706 2.27 . . . . 0.0 112.343 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 86.5 p -42.2 152.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -157.82 169.65 24.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.956 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 t -77.55 -50.99 11.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.88 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -42.4 145.64 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.1 69.69 1.37 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -120.57 103.11 8.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.9 0.381 . . . . 0.0 110.844 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.1 p -92.89 86.97 5.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.22 -157.21 28.4 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -127.42 105.74 8.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -135.28 114.81 12.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.467 ' O ' HG23 ' A' ' 10' ' ' THR . 14.4 t -125.65 124.25 40.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -91.85 125.74 36.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.637 ' CZ3' HD22 ' A' ' 20' ' ' LEU . 17.4 m95 -93.24 167.09 11.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 14' ' ' ARG . 6.7 t -128.82 154.22 46.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -35.39 -43.32 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -61.83 -63.31 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.478 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 2.4 mp0 -46.51 -38.42 9.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 20' ' ' LEU . 52.8 mt-10 -67.55 -64.68 0.81 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 17' ' ' GLU . 39.8 mm-40 -37.05 -57.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.597 ' HD3' HG23 ' A' ' 38' ' ' ILE . 4.5 ptmt -60.33 -34.67 74.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.637 HD22 ' CZ3' ' A' ' 12' ' ' TRP . 32.6 tp -62.02 -53.86 49.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.777 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -54.03 -36.79 63.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.866 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.817 ' CD2' HD11 ' A' ' 26' ' ' LEU . 81.9 t60 -67.83 -59.79 3.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.741 ' HA ' HD12 ' A' ' 26' ' ' LEU . 2.5 mt -59.18 -56.9 16.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -41.48 -47.79 3.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.087 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -38.77 80.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.817 HD11 ' CD2' ' A' ' 22' ' ' HIS . 13.3 mt -60.2 -53.79 53.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.455 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 35.1 mtm -134.96 89.38 24.56 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.575 0.702 . . . . 0.0 110.866 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -23.45 30.45 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.338 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.412 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 61.2 p -107.79 30.14 6.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.455 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 92.8 mm-40 -135.0 39.56 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.585 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 76.8 m95 -57.16 -36.63 71.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.7 mtm105 -64.71 -18.61 65.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.2 m -97.66 -37.03 10.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.57 HG12 HD22 ' A' ' 23' ' ' LEU . 95.8 mt -72.67 -33.2 43.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.755 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -49.43 -58.67 8.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.576 0.703 . . . . 0.0 111.153 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.755 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.3 Cg_endo -69.8 -12.17 32.29 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.431 ' O ' HG22 ' A' ' 37' ' ' ILE . 90.3 mt -91.61 -15.35 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.597 HG23 ' HD3' ' A' ' 19' ' ' LYS . 18.6 mt -113.55 -34.3 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.96 -35.34 2.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.427 ' O ' ' HB1' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -89.81 178.56 6.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.912 0.386 . . . . 0.0 110.834 -179.821 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.428 ' HA ' ' HB1' ' A' ' 35' ' ' ALA . 27.8 p -89.82 161.11 16.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.451 ' HB1' ' HB3' ' A' ' 31' ' ' TRP . . . -48.98 -51.6 29.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.01 -49.76 72.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -58.69 -48.89 79.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 85.1 m -59.43 -56.4 22.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.585 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 22.7 tp -58.55 -39.85 81.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -61.68 -50.46 72.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -66.83 -56.26 11.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.769 ' HA ' HD12 ' A' ' 52' ' ' LEU . 28.5 t80 -43.83 -63.03 0.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -47.23 -48.58 24.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -52.62 -39.02 61.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.777 HD13 HD21 ' A' ' 21' ' ' LEU . 17.9 mt -60.31 -50.16 74.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.631 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.7 mm? -47.55 -52.64 16.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -64.88 -47.25 78.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -51.95 -42.83 63.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.61 -38.81 69.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.84 -33.87 64.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -70.53 -48.32 56.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -60.76 140.89 57.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -47.05 144.77 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.2 p -116.81 121.86 42.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.13 -89.74 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.528 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 89.0 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.679 2.253 . . . . 0.0 112.381 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.1 m -77.72 98.93 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.6 m -64.49 124.23 21.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.559 -179.931 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 p -60.83 146.26 46.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.923 0.392 . . . . 0.0 110.865 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.7 m -40.88 -60.21 1.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.48 -77.65 0.39 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -164.91 151.8 10.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.88 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 7' ' ' GLY . 47.5 m -96.16 127.05 41.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.87 -136.05 0.49 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -78.37 167.91 20.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -122.44 130.02 52.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.3 t -159.22 137.49 10.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -103.5 128.97 50.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.631 ' CD2' ' CD2' ' A' ' 48' ' ' HIS . 39.2 m95 -92.4 152.33 19.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.463 ' O ' ' C ' ' A' ' 14' ' ' ARG . 3.4 t -115.16 148.51 38.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 13' ' ' SER . 3.0 tpm_? -33.45 -44.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -63.57 -60.82 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.75 -38.12 3.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.544 ' OE1' HD22 ' A' ' 52' ' ' LEU . 43.3 mt-10 -66.92 -62.35 1.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' GLU . 58.5 mt-10 -37.43 -58.09 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.498 ' HD3' HG23 ' A' ' 38' ' ' ILE . 7.1 ptmt -58.51 -35.78 72.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.482 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 31.3 tp -61.2 -53.41 57.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -55.94 -35.34 66.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.872 ' CD2' HD11 ' A' ' 26' ' ' LEU . 74.8 t60 -69.66 -62.51 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.718 ' HA ' HD12 ' A' ' 26' ' ' LEU . 4.0 mt -58.3 -54.49 46.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.5 -46.62 6.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -70.17 -43.18 71.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.872 HD11 ' CD2' ' A' ' 22' ' ' HIS . 11.0 mt -55.76 -55.87 27.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.46 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 19.6 mtm -135.05 89.57 23.73 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.606 0.717 . . . . 0.0 110.872 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.442 ' O ' ' NE1' ' A' ' 31' ' ' TRP . 53.3 Cg_endo -69.77 -42.8 3.08 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.685 2.256 . . . . 0.0 112.312 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.0 p -87.02 23.16 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.199 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.46 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 86.3 mm-40 -130.21 38.59 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.704 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 79.6 m95 -54.39 -34.0 60.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -60.08 -19.73 54.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.567 HG22 ' CD1' ' A' ' 37' ' ' ILE . 51.6 m -97.6 -38.62 9.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.656 HG12 HD22 ' A' ' 23' ' ' LEU . 90.2 mt -72.66 -20.05 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.723 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -64.95 -57.92 14.4 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.608 0.718 . . . . 0.0 111.123 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.723 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.5 Cg_endo -69.84 -14.87 36.41 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.695 2.263 . . . . 0.0 112.299 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.567 ' CD1' HG22 ' A' ' 33' ' ' THR . 81.8 mt -86.03 -23.88 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.498 HG23 ' HD3' ' A' ' 19' ' ' LYS . 9.2 mt -102.62 -40.01 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 128.56 -25.71 4.72 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.456 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.595 ' HD3' ' CZ2' ' A' ' 12' ' ' TRP . 57.0 mtt85 -98.2 178.24 5.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.891 0.377 . . . . 0.0 110.847 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.1 p -82.92 158.33 22.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.123 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.672 ' HB1' ' CB ' ' A' ' 31' ' ' TRP . . . -53.85 -50.06 67.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.057 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.81 -45.33 74.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -63.5 -54.02 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 87.8 m -52.95 -45.89 67.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.704 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 15.3 tp -63.61 -49.22 74.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -54.53 -59.39 4.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.631 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 53.5 t60 -57.93 -47.53 82.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.521 ' CE1' HD21 ' A' ' 53' ' ' LEU . 30.6 t80 -47.59 -71.68 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -43.53 -41.78 4.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.453 ' CD1' ' C ' ' A' ' 51' ' ' PHE . 0.3 OUTLIER -58.73 -38.74 79.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.544 HD22 ' OE1' ' A' ' 17' ' ' GLU . 95.7 mt -61.71 -42.47 98.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.521 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.0 mm? -56.87 -53.13 61.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -68.13 -40.56 82.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -50.96 -44.05 60.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.09 -40.45 74.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.065 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.98 -46.89 87.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.08 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.454 ' HG3' ' N ' ' A' ' 59' ' ' ARG . 5.8 pt20 -63.76 -45.81 88.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.454 ' N ' ' HG3' ' A' ' 58' ' ' GLN . 43.8 ttt180 -69.98 111.4 5.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -83.22 42.28 0.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.8 t -73.9 140.02 45.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.89 137.82 22.82 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 96.34 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.331 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.6 p -134.31 83.36 2.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.4 m -118.94 145.56 45.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.6 p -69.95 176.9 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.852 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.1 p -76.52 -56.85 4.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.02 93.9 0.96 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -70.18 86.48 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.929 0.395 . . . . 0.0 110.84 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -60.73 -46.1 91.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.8 80.96 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -104.62 41.47 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.432 ' HA ' ' NZ ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -165.27 130.3 2.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.6 m -48.58 103.99 0.05 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -98.67 141.61 31.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.783 ' CZ3' HD22 ' A' ' 20' ' ' LEU . 51.1 m95 -79.19 137.3 37.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 15' ' ' GLU . 1.4 t -102.18 149.52 24.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 13' ' ' SER . 17.9 tpt180 -34.07 -35.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 13' ' ' SER . 38.3 mt-10 -74.94 -66.7 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.436 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 9.6 mm-40 -34.75 -40.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' LEU . 86.9 mt-10 -65.55 -61.08 2.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' GLU . 51.7 mt-10 -36.93 -57.4 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.512 ' HD3' HG23 ' A' ' 38' ' ' ILE . 6.8 ptmt -61.16 -32.41 72.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.783 HD22 ' CZ3' ' A' ' 12' ' ' TRP . 30.1 tp -64.12 -53.07 55.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.847 HD21 HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -55.72 -34.35 65.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.931 ' CD2' HD11 ' A' ' 26' ' ' LEU . 75.4 t60 -71.49 -61.92 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.878 HD13 HG23 ' A' ' 34' ' ' ILE . 3.8 mt -55.59 -54.03 49.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.67 -44.14 8.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -71.23 -40.38 71.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.931 HD11 ' CD2' ' A' ' 22' ' ' HIS . 10.4 mt -60.8 -55.78 29.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.456 ' CB ' ' HB2' ' A' ' 30' ' ' GLN . 22.2 mtm -135.05 86.23 32.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.554 0.692 . . . . 0.0 110.833 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.464 ' O ' ' NE1' ' A' ' 31' ' ' TRP . 53.8 Cg_endo -69.81 -24.79 29.05 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.323 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.429 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 58.7 p -105.17 27.4 8.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.456 ' HB2' ' CB ' ' A' ' 27' ' ' MET . 89.4 mm-40 -134.91 36.7 3.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.733 ' CZ2' HD13 ' A' ' 46' ' ' LEU . 74.1 m95 -52.26 -39.8 60.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -58.16 -18.81 28.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.427 ' C ' ' HD2' ' A' ' 36' ' ' PRO . 91.2 m -97.63 -35.5 10.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.878 HG23 HD13 ' A' ' 23' ' ' LEU . 76.2 mt -75.84 -15.69 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.159 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.664 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -64.18 -55.55 30.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.535 0.683 . . . . 0.0 111.092 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.664 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 53.8 Cg_endo -69.73 -10.75 29.34 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 34' ' ' ILE . 80.1 mt -90.76 -31.37 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.512 HG23 ' HD3' ' A' ' 19' ' ' LYS . 9.9 mt -96.94 -36.63 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.29 -15.65 10.01 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.514 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.545 ' NH1' ' NE1' ' A' ' 12' ' ' TRP . 12.6 mtp180 -102.84 178.11 4.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.92 0.391 . . . . 0.0 110.861 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 p -89.87 150.27 22.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -41.96 -44.71 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.14 -46.81 72.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.403 ' N ' ' CD ' ' A' ' 44' ' ' GLN . 5.8 mm-40 -66.28 -60.09 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 92.9 m -43.92 -40.26 4.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.733 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 52.6 tp -75.61 -50.38 15.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -52.23 -61.58 2.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.751 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 47.2 t60 -54.53 -55.76 25.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.71 ' HA ' HD12 ' A' ' 52' ' ' LEU . 45.8 t80 -41.78 -69.96 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -44.93 -46.22 10.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -56.7 -34.67 67.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.847 HD13 HD21 ' A' ' 21' ' ' LEU . 28.1 mt -65.54 -50.6 64.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.578 HD21 ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm? -47.7 -53.32 15.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -67.49 -42.1 83.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -57.28 -37.4 72.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.2 -34.94 63.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.05 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.0 -42.82 72.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 59' ' ' ARG . 4.4 pt20 -68.2 -49.6 59.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.41 ' N ' ' HG3' ' A' ' 58' ' ' GLN . 20.3 ptt180 -59.54 125.99 25.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.443 ' OD1' ' C ' ' A' ' 60' ' ' ASP . 37.6 t0 -65.89 -52.79 47.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 t -40.95 110.34 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -159.9 -94.44 0.1 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.464 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -4.37 13.91 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.665 2.244 . . . . 0.0 112.345 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.7 t -60.38 132.06 52.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.9 t -91.76 82.84 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.443 179.986 . . . . . . . . 0 0 . 1 stop_ save_