data_1plb_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 1plb _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 full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -120.29 129.43 54.02 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.771 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.8 t -114.3 142.07 28.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 119.897 -0.721 . . . . 0.0 110.937 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -113.51 118.28 34.04 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.662 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.4 mt -80.95 114.89 20.13 Favored 'General case' 0 C--N 1.307 -1.249 0 C-N-CA 119.057 -1.057 . . . . 0.0 110.115 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 105.02 150.3 19.9 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.421 ' O ' ' ND2' ' A' ' 32' ' ' ASN . 20.5 p -85.89 -178.68 6.64 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.551 -0.86 . . . . 0.0 110.953 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -106.01 29.95 6.27 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 119.955 -0.698 . . . . 0.0 111.968 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.45 -16.06 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 118.877 -1.129 . . . . 0.0 111.541 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.15 79.0 0.05 OUTLIER Glycine 0 N--CA 1.492 2.426 0 C-N-CA 119.208 -1.473 . . . . 0.0 110.546 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -175.72 130.75 1.77 Allowed Glycine 0 N--CA 1.49 2.287 0 C-N-CA 119.402 -1.38 . . . . 0.0 110.347 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.8 mt -99.14 97.97 9.03 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.41 -0.916 . . . . 0.0 110.592 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.1 m -149.02 155.73 8.27 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 C-N-CA 118.756 -1.178 . . . . 0.0 111.48 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.524 ' CD1' ' O ' ' A' ' 91' ' ' LYS . 29.3 m-85 -78.26 109.58 12.51 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 177.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.7 m -114.51 109.91 47.87 Favored Pre-proline 0 C--N 1.304 -1.373 0 C-N-CA 119.576 -0.85 . . . . 0.0 111.889 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' A' ' 14' ' ' PHE . 2.1 Cg_endo -66.39 176.35 22.18 Favored 'Cis proline' 0 C--N 1.361 1.201 0 C-N-CA 125.34 -0.692 . . . . 0.0 111.655 -0.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -95.04 -55.51 3.06 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.605 -0.838 . . . . 0.0 110.579 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 p -132.27 145.11 51.06 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.348 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -167.41 148.38 5.52 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 118.811 -1.155 . . . . 0.0 111.245 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -93.05 156.79 16.66 Favored 'General case' 0 C--N 1.307 -1.244 0 C-N-CA 119.529 -0.869 . . . . 0.0 111.22 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.3 m -147.6 162.53 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 24' ' ' GLY . . . -80.3 144.85 32.48 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 119.418 -0.913 . . . . 0.0 110.688 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.43 75.7 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.317 0 C-N-CA 119.427 -0.909 . . . . 0.0 110.935 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 22' ' ' ALA . . . 157.54 16.03 0.04 OUTLIER Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.54 155.54 18.21 Favored 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 119.978 -0.689 . . . . 0.0 111.012 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -95.57 142.26 28.11 Favored 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 119.491 -0.883 . . . . 0.0 110.904 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.8 mt -121.87 107.42 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 C-N-CA 120.158 -0.617 . . . . 0.0 109.488 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.0 p -105.76 118.4 36.49 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 119.576 -0.85 . . . . 0.0 112.343 -178.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -85.25 138.49 32.3 Favored 'General case' 0 C--N 1.307 -1.268 0 C-N-CA 119.323 -0.951 . . . . 0.0 109.037 178.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -130.82 136.98 49.19 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 119.383 -0.927 . . . . 0.0 111.782 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.412 HD22 ' CD1' ' A' ' 61' ' ' LEU . 3.7 m-20 -80.95 115.62 20.52 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.608 -0.837 . . . . 0.0 110.062 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.482 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 1.2 t30 -99.72 -30.97 11.79 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 118.977 -1.089 . . . . 0.0 111.583 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 32' ' ' ASN . . . 164.94 112.83 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 119.295 -0.962 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.86 5.52 1.22 Allowed Glycine 0 N--CA 1.491 2.301 0 C-N-CA 119.563 -1.303 . . . . 0.0 110.507 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -53.98 162.81 1.33 Allowed Pre-proline 0 C--N 1.308 -1.201 0 C-N-CA 118.931 -1.107 . . . . 0.0 110.103 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -77.65 146.79 82.85 Favored 'Cis proline' 0 C--O 1.212 -0.785 0 C-N-CA 124.098 -1.209 . . . . 0.0 112.37 -0.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -113.08 172.78 6.73 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 119.884 -0.727 . . . . 0.0 110.75 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.467 HD21 ' N ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -151.86 146.15 25.45 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.179 179.564 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.467 ' N ' HD21 ' A' ' 38' ' ' ASN . 4.0 mp -135.16 124.26 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 C-N-CA 119.47 -0.892 . . . . 0.0 111.478 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.2 t -140.6 161.2 24.29 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.849 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -112.33 127.88 56.12 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 119.62 -0.832 . . . . 0.0 111.719 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.549 ' C ' ' H ' ' A' ' 44' ' ' ASP . 56.8 t0 -69.19 111.24 5.01 Favored 'General case' 0 C--N 1.308 -1.212 0 C-N-CA 119.5 -0.88 . . . . 0.0 110.013 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.14 25.2 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.496 -179.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.549 ' H ' ' C ' ' A' ' 42' ' ' ASP . 24.0 m-20 -111.77 -15.09 13.47 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 119.76 -0.776 . . . . 0.0 111.503 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.528 ' CD ' ' HZ1' ' A' ' 79' ' ' LYS . 4.3 mt-10 -133.65 16.63 3.96 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 119.793 -0.763 . . . . 0.0 110.94 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.2 t -95.08 144.18 27.37 Favored Pre-proline 0 C--N 1.298 -1.661 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -50.19 150.82 10.07 Favored 'Trans proline' 0 C--O 1.215 -0.631 0 C-N-CA 120.752 0.968 . . . . 0.0 112.042 -179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.3 56.65 3.31 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.804 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -166.49 -34.1 0.02 OUTLIER Glycine 0 N--CA 1.489 2.205 0 C-N-CA 119.556 -1.307 . . . . 0.0 110.056 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 93.0 t -92.93 92.71 3.84 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 C-N-CA 119.487 -0.885 . . . . 0.0 110.615 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -44.74 142.91 1.56 Allowed 'General case' 0 C--N 1.308 -1.219 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.784 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.05 -7.24 36.76 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.658 -0.817 . . . . 0.0 111.21 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -79.31 -20.82 46.98 Favored 'General case' 0 C--N 1.306 -1.324 0 C-N-CA 119.442 -0.903 . . . . 0.0 111.252 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -86.97 -32.93 19.82 Favored 'General case' 0 C--N 1.304 -1.38 0 C-N-CA 119.266 -0.973 . . . . 0.0 111.783 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.8 pt -91.72 -8.18 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 C-N-CA 119.043 -1.063 . . . . 0.0 111.568 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.4 m -80.16 176.11 10.04 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 119.356 -0.937 . . . . 0.0 111.173 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.636 ' NE2' ' CG ' ' A' ' 68' ' ' TYR . 74.1 mt-30 -139.53 73.33 35.85 Favored Pre-proline 0 N--CA 1.488 1.446 0 C-N-CA 120.022 -0.671 . . . . 0.0 110.67 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -62.21 -3.56 4.17 Favored 'Trans proline' 0 C--N 1.325 -0.693 0 C-N-CA 121.46 1.44 . . . . 0.0 111.66 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.414 ' H ' ' C ' ' A' ' 57' ' ' GLN . 15.8 mt-10 -100.28 109.32 21.53 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 119.674 -0.81 . . . . 0.0 110.843 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -54.53 172.89 0.09 Allowed 'General case' 0 C--N 1.307 -1.26 0 C-N-CA 119.465 -0.894 . . . . 0.0 110.761 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.412 ' CD1' HD22 ' A' ' 31' ' ' ASN . 1.9 pp -153.9 131.38 11.34 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 119.313 -0.955 . . . . 0.0 111.061 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -127.69 35.68 4.46 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.745 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -99.78 127.25 9.19 Favored Glycine 0 N--CA 1.493 2.492 0 C-N-CA 119.446 -1.359 . . . . 0.0 110.716 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.83 119.14 16.65 Favored 'General case' 0 C--N 1.305 -1.359 0 C-N-CA 119.498 -0.881 . . . . 0.0 110.672 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.05 -13.26 67.44 Favored Glycine 0 N--CA 1.488 2.163 0 C-N-CA 119.384 -1.388 . . . . 0.0 110.536 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -54.52 151.56 7.74 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 119.101 -1.039 . . . . 0.0 110.652 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 p -145.6 164.64 31.09 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 119.41 -0.916 . . . . 0.0 111.214 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.636 ' CG ' ' NE2' ' A' ' 57' ' ' GLN . 44.0 t80 -135.92 173.34 11.82 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.525 ' N ' ' CD2' ' A' ' 68' ' ' TYR . 25.2 mt-10 -133.54 154.09 51.12 Favored 'General case' 0 N--CA 1.499 2.005 0 C-N-CA 119.108 -1.037 . . . . 0.0 111.591 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -156.73 135.23 3.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 CA-C-N 115.075 -0.966 . . . . 0.0 108.522 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 44.0 m -132.86 96.89 3.89 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.453 -0.899 . . . . 0.0 111.01 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.2 mt -79.36 162.31 25.64 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.597 -0.841 . . . . 0.0 109.97 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.79 36.91 0.63 Allowed 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 118.786 -1.166 . . . . 0.0 111.893 -178.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.44 ' O ' ' OH ' ' A' ' 78' ' ' TYR . 3.7 mm-40 -135.67 104.63 5.85 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 119.13 -1.028 . . . . 0.0 110.835 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -47.18 109.22 0.19 Allowed 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 119.084 -1.046 . . . . 0.0 110.808 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 175.24 -142.5 6.25 Favored Glycine 0 N--CA 1.489 2.205 0 C-N-CA 119.363 -1.398 . . . . 0.0 110.1 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.51 139.78 29.97 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 119.31 -0.956 . . . . 0.0 111.225 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.543 ' CD1' ' N ' ' A' ' 78' ' ' TYR . 2.5 m-85 -129.31 127.37 40.99 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.358 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.528 ' HZ1' ' CD ' ' A' ' 45' ' ' GLU . 2.1 mptm? -99.13 121.69 41.34 Favored 'General case' 0 N--CA 1.498 1.943 0 C-N-CA 119.421 -0.912 . . . . 0.0 112.036 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.577 ' N ' ' CD1' ' A' ' 80' ' ' PHE . 0.5 OUTLIER -129.03 165.85 20.36 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.097 178.026 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -170.6 -178.34 2.61 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 119.085 -1.046 . . . . 0.0 111.865 -178.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -107.02 123.51 48.3 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.266 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.555 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 1.6 tt0 -68.65 -43.78 30.57 Favored Pre-proline 0 N--CA 1.486 1.329 0 C-N-CA 119.315 -0.954 . . . . 0.0 113.01 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 83' ' ' GLU . 2.1 Cg_endo -68.29 -43.6 4.32 Favored 'Trans proline' 0 C--O 1.215 -0.643 0 C-N-CA 120.985 1.123 . . . . 0.0 112.389 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -93.66 20.21 7.73 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 119.263 -0.975 . . . . 0.0 111.519 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.43 -13.85 62.58 Favored 'General case' 0 C--N 1.303 -1.439 0 C-N-CA 119.072 -1.051 . . . . 0.0 110.648 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.64 -22.05 79.23 Favored Glycine 0 N--CA 1.492 2.387 0 C-N-CA 119.514 -1.327 . . . . 0.0 110.692 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -92.26 -35.4 13.8 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 119.324 -0.951 . . . . 0.0 110.725 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 124.87 28.34 1.15 Allowed Glycine 0 N--CA 1.496 2.634 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.15 106.93 9.17 Favored 'General case' 0 C--N 1.306 -1.293 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.98 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.524 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 2.8 pttt -132.95 174.18 10.62 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 119.537 -0.865 . . . . 0.0 110.756 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 80' ' ' PHE . . . -151.0 149.63 21.48 Favored Glycine 0 N--CA 1.494 2.512 0 C-N-CA 119.19 -1.481 . . . . 0.0 111.362 -178.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -151.91 141.51 21.75 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.362 -0.935 . . . . 0.0 111.158 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.5 p -135.88 126.51 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.862 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 89.8 m -103.99 99.99 9.75 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.692 -0.803 . . . . 0.0 110.675 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 22.8 t -80.87 154.0 4.29 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 C-N-CA 118.686 -1.205 . . . . 0.0 110.633 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 116.273 -1.823 . . . . 0.0 110.735 -179.952 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -120.29 129.43 54.02 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.771 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.8 t -114.3 142.07 28.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 119.897 -0.721 . . . . 0.0 110.937 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -113.51 118.28 34.04 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.662 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.4 mt -80.95 114.89 20.13 Favored 'General case' 0 C--N 1.307 -1.249 0 C-N-CA 119.057 -1.057 . . . . 0.0 110.115 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 105.02 150.3 19.9 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.421 ' O ' ' ND2' ' A' ' 32' ' ' ASN . 20.5 p -85.89 -178.68 6.64 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.551 -0.86 . . . . 0.0 110.953 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -106.01 29.95 6.27 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 119.955 -0.698 . . . . 0.0 111.968 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.45 -16.06 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 118.877 -1.129 . . . . 0.0 111.541 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.15 79.0 0.05 OUTLIER Glycine 0 N--CA 1.492 2.426 0 C-N-CA 119.208 -1.473 . . . . 0.0 110.546 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -175.72 130.75 1.77 Allowed Glycine 0 N--CA 1.49 2.287 0 C-N-CA 119.402 -1.38 . . . . 0.0 110.347 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.8 mt -99.14 97.97 9.03 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.41 -0.916 . . . . 0.0 110.592 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.1 m -149.02 155.73 8.27 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 C-N-CA 118.756 -1.178 . . . . 0.0 111.48 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.524 ' CD1' ' O ' ' A' ' 91' ' ' LYS . 29.3 m-85 -78.26 109.58 12.51 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 177.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.7 m -114.51 109.91 47.87 Favored Pre-proline 0 C--N 1.304 -1.373 0 C-N-CA 119.576 -0.85 . . . . 0.0 111.889 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' A' ' 14' ' ' PHE . 2.1 Cg_endo -66.39 176.35 22.18 Favored 'Cis proline' 0 C--N 1.361 1.201 0 C-N-CA 125.34 -0.692 . . . . 0.0 111.655 -0.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -95.04 -55.51 3.06 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.605 -0.838 . . . . 0.0 110.579 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 p -132.27 145.11 51.06 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.348 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -167.41 148.38 5.52 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 118.811 -1.155 . . . . 0.0 111.245 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -93.05 156.79 16.66 Favored 'General case' 0 C--N 1.307 -1.244 0 C-N-CA 119.529 -0.869 . . . . 0.0 111.22 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.3 m -147.6 162.53 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 24' ' ' GLY . . . -80.3 144.85 32.48 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 119.418 -0.913 . . . . 0.0 110.688 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.43 75.7 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.317 0 C-N-CA 119.427 -0.909 . . . . 0.0 110.935 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 22' ' ' ALA . . . 157.54 16.03 0.04 OUTLIER Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 71' ' ' THR . 0.6 OUTLIER -102.54 155.54 18.21 Favored 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 119.978 -0.689 . . . . 0.0 111.012 -179.524 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -95.57 142.26 28.11 Favored 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 119.491 -0.883 . . . . 0.0 110.904 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.8 mt -121.87 107.42 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 C-N-CA 120.158 -0.617 . . . . 0.0 109.488 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.0 p -105.76 118.4 36.49 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 119.576 -0.85 . . . . 0.0 112.343 -178.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -85.25 138.49 32.3 Favored 'General case' 0 C--N 1.307 -1.268 0 C-N-CA 119.323 -0.951 . . . . 0.0 109.037 178.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -130.82 136.98 49.19 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 119.383 -0.927 . . . . 0.0 111.782 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.43 HD21 ' CD1' ' A' ' 61' ' ' LEU . 3.7 m-20 -80.95 115.62 20.52 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.608 -0.837 . . . . 0.0 110.062 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.674 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 1.2 t30 -99.72 -30.97 11.79 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 118.977 -1.089 . . . . 0.0 111.583 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' A' ' 32' ' ' ASN . . . 164.94 112.83 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 119.295 -0.962 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.86 5.52 1.22 Allowed Glycine 0 N--CA 1.491 2.301 0 C-N-CA 119.563 -1.303 . . . . 0.0 110.507 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -53.98 162.81 1.33 Allowed Pre-proline 0 C--N 1.308 -1.201 0 C-N-CA 118.931 -1.107 . . . . 0.0 110.103 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -77.65 146.79 82.85 Favored 'Cis proline' 0 C--O 1.212 -0.785 0 C-N-CA 124.098 -1.209 . . . . 0.0 112.37 -0.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -113.08 172.78 6.73 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 119.884 -0.727 . . . . 0.0 110.75 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -151.86 146.15 25.45 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.179 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.52 HD13 ' OE1' ' A' ' 57' ' ' GLN . 4.0 mp -135.16 124.26 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 C-N-CA 119.47 -0.892 . . . . 0.0 111.478 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.2 t -140.6 161.2 24.29 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.849 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -112.33 127.88 56.12 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 119.62 -0.832 . . . . 0.0 111.719 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.526 ' C ' ' H ' ' A' ' 44' ' ' ASP . 56.8 t0 -69.19 111.24 5.01 Favored 'General case' 0 C--N 1.308 -1.212 0 C-N-CA 119.5 -0.88 . . . . 0.0 110.013 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.14 25.2 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.496 -179.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.526 ' H ' ' C ' ' A' ' 42' ' ' ASP . 24.0 m-20 -111.77 -15.09 13.47 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 119.76 -0.776 . . . . 0.0 111.503 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -133.65 16.63 3.96 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 119.793 -0.763 . . . . 0.0 110.94 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.2 t -95.08 144.18 27.37 Favored Pre-proline 0 C--N 1.298 -1.661 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -50.19 150.82 10.07 Favored 'Trans proline' 0 C--O 1.215 -0.631 0 C-N-CA 120.752 0.968 . . . . 0.0 112.042 -179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.3 56.65 3.31 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.804 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -166.49 -34.1 0.02 OUTLIER Glycine 0 N--CA 1.489 2.205 0 C-N-CA 119.556 -1.307 . . . . 0.0 110.056 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 93.0 t -92.93 92.71 3.84 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 C-N-CA 119.487 -0.885 . . . . 0.0 110.615 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -44.74 142.91 1.56 Allowed 'General case' 0 C--N 1.308 -1.219 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.784 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.05 -7.24 36.76 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.658 -0.817 . . . . 0.0 111.21 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -79.31 -20.82 46.98 Favored 'General case' 0 C--N 1.306 -1.324 0 C-N-CA 119.442 -0.903 . . . . 0.0 111.252 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -86.97 -32.93 19.82 Favored 'General case' 0 C--N 1.304 -1.38 0 C-N-CA 119.266 -0.973 . . . . 0.0 111.783 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.8 pt -91.72 -8.18 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 C-N-CA 119.043 -1.063 . . . . 0.0 111.568 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.4 m -80.16 176.11 10.04 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 119.356 -0.937 . . . . 0.0 111.173 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.636 ' NE2' ' CG ' ' A' ' 68' ' ' TYR . 74.1 mt-30 -139.53 73.33 35.85 Favored Pre-proline 0 N--CA 1.488 1.446 0 C-N-CA 120.022 -0.671 . . . . 0.0 110.67 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -62.21 -3.56 4.17 Favored 'Trans proline' 0 C--N 1.325 -0.693 0 C-N-CA 121.46 1.44 . . . . 0.0 111.66 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -100.28 109.32 21.53 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 119.674 -0.81 . . . . 0.0 110.843 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -54.53 172.89 0.09 Allowed 'General case' 0 C--N 1.307 -1.26 0 C-N-CA 119.465 -0.894 . . . . 0.0 110.761 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.43 ' CD1' HD21 ' A' ' 31' ' ' ASN . 1.9 pp -153.9 131.38 11.34 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 119.313 -0.955 . . . . 0.0 111.061 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -127.69 35.68 4.46 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.745 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -99.78 127.25 9.19 Favored Glycine 0 N--CA 1.493 2.492 0 C-N-CA 119.446 -1.359 . . . . 0.0 110.716 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.83 119.14 16.65 Favored 'General case' 0 C--N 1.305 -1.359 0 C-N-CA 119.498 -0.881 . . . . 0.0 110.672 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.05 -13.26 67.44 Favored Glycine 0 N--CA 1.488 2.163 0 C-N-CA 119.384 -1.388 . . . . 0.0 110.536 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -54.52 151.56 7.74 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 119.101 -1.039 . . . . 0.0 110.652 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 p -145.6 164.64 31.09 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 119.41 -0.916 . . . . 0.0 111.214 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.636 ' CG ' ' NE2' ' A' ' 57' ' ' GLN . 44.0 t80 -135.92 173.34 11.82 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.123 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.525 ' N ' ' CD2' ' A' ' 68' ' ' TYR . 25.2 mt-10 -133.54 154.09 51.12 Favored 'General case' 0 N--CA 1.499 2.005 0 C-N-CA 119.108 -1.037 . . . . 0.0 111.591 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -156.73 135.23 3.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 CA-C-N 115.075 -0.966 . . . . 0.0 108.522 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 25' ' ' GLU . 44.0 m -132.86 96.89 3.89 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.453 -0.899 . . . . 0.0 111.01 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.443 ' CD1' HG11 ' A' ' 94' ' ' VAL . 39.2 mt -79.36 162.31 25.64 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.597 -0.841 . . . . 0.0 109.97 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.79 36.91 0.63 Allowed 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 118.786 -1.166 . . . . 0.0 111.893 -178.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -135.67 104.63 5.85 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 119.13 -1.028 . . . . 0.0 110.835 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -47.18 109.22 0.19 Allowed 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 119.084 -1.046 . . . . 0.0 110.808 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 175.24 -142.5 6.25 Favored Glycine 0 N--CA 1.489 2.205 0 C-N-CA 119.363 -1.398 . . . . 0.0 110.1 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.51 139.78 29.97 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 119.31 -0.956 . . . . 0.0 111.225 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.543 ' CD1' ' N ' ' A' ' 78' ' ' TYR . 2.5 m-85 -129.31 127.37 40.99 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.358 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -99.13 121.69 41.34 Favored 'General case' 0 N--CA 1.498 1.943 0 C-N-CA 119.421 -0.912 . . . . 0.0 112.036 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.577 ' N ' ' CD1' ' A' ' 80' ' ' PHE . 0.5 OUTLIER -129.03 165.85 20.36 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.097 178.026 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -170.6 -178.34 2.61 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 119.085 -1.046 . . . . 0.0 111.865 -178.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -107.02 123.51 48.3 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.266 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.555 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 1.6 tt0 -68.65 -43.78 30.57 Favored Pre-proline 0 N--CA 1.486 1.329 0 C-N-CA 119.315 -0.954 . . . . 0.0 113.01 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 83' ' ' GLU . 2.1 Cg_endo -68.29 -43.6 4.32 Favored 'Trans proline' 0 C--O 1.215 -0.643 0 C-N-CA 120.985 1.123 . . . . 0.0 112.389 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -93.66 20.21 7.73 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 119.263 -0.975 . . . . 0.0 111.519 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.43 -13.85 62.58 Favored 'General case' 0 C--N 1.303 -1.439 0 C-N-CA 119.072 -1.051 . . . . 0.0 110.648 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.64 -22.05 79.23 Favored Glycine 0 N--CA 1.492 2.387 0 C-N-CA 119.514 -1.327 . . . . 0.0 110.692 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -92.26 -35.4 13.8 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 119.324 -0.951 . . . . 0.0 110.725 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 124.87 28.34 1.15 Allowed Glycine 0 N--CA 1.496 2.634 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.15 106.93 9.17 Favored 'General case' 0 C--N 1.306 -1.293 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.98 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.524 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 2.8 pttt -132.95 174.18 10.62 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 119.537 -0.865 . . . . 0.0 110.756 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 80' ' ' PHE . . . -151.0 149.63 21.48 Favored Glycine 0 N--CA 1.494 2.512 0 C-N-CA 119.19 -1.481 . . . . 0.0 111.362 -178.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -151.91 141.51 21.75 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.362 -0.935 . . . . 0.0 111.158 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.527 ' O ' HG13 ' A' ' 94' ' ' VAL . 14.5 p -135.88 126.51 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.862 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 89.8 m -103.99 99.99 9.75 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.692 -0.803 . . . . 0.0 110.675 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 22.8 t -80.87 154.0 4.29 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 C-N-CA 118.686 -1.205 . . . . 0.0 110.633 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 116.273 -1.823 . . . . 0.0 110.735 -179.952 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -120.29 129.43 54.02 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.771 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.8 t -114.3 142.07 28.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 119.897 -0.721 . . . . 0.0 110.937 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -113.51 118.28 34.04 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.662 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.4 mt -80.95 114.89 20.13 Favored 'General case' 0 C--N 1.307 -1.249 0 C-N-CA 119.057 -1.057 . . . . 0.0 110.115 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 105.02 150.3 19.9 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.421 ' O ' ' ND2' ' A' ' 32' ' ' ASN . 20.5 p -85.89 -178.68 6.64 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.551 -0.86 . . . . 0.0 110.953 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -106.01 29.95 6.27 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 119.955 -0.698 . . . . 0.0 111.968 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.45 -16.06 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 118.877 -1.129 . . . . 0.0 111.541 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.15 79.0 0.05 OUTLIER Glycine 0 N--CA 1.492 2.426 0 C-N-CA 119.208 -1.473 . . . . 0.0 110.546 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -175.72 130.75 1.77 Allowed Glycine 0 N--CA 1.49 2.287 0 C-N-CA 119.402 -1.38 . . . . 0.0 110.347 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.8 mt -99.14 97.97 9.03 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.41 -0.916 . . . . 0.0 110.592 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.1 m -149.02 155.73 8.27 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 C-N-CA 118.756 -1.178 . . . . 0.0 111.48 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.524 ' CD1' ' O ' ' A' ' 91' ' ' LYS . 29.3 m-85 -78.26 109.58 12.51 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 177.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.7 m -114.51 109.91 47.87 Favored Pre-proline 0 C--N 1.304 -1.373 0 C-N-CA 119.576 -0.85 . . . . 0.0 111.889 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' A' ' 14' ' ' PHE . 2.1 Cg_endo -66.39 176.35 22.18 Favored 'Cis proline' 0 C--N 1.361 1.201 0 C-N-CA 125.34 -0.692 . . . . 0.0 111.655 -0.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -95.04 -55.51 3.06 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.605 -0.838 . . . . 0.0 110.579 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 p -132.27 145.11 51.06 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.348 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -167.41 148.38 5.52 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 118.811 -1.155 . . . . 0.0 111.245 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -93.05 156.79 16.66 Favored 'General case' 0 C--N 1.307 -1.244 0 C-N-CA 119.529 -0.869 . . . . 0.0 111.22 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.3 m -147.6 162.53 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 24' ' ' GLY . . . -80.3 144.85 32.48 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 119.418 -0.913 . . . . 0.0 110.688 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.43 75.7 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.317 0 C-N-CA 119.427 -0.909 . . . . 0.0 110.935 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 22' ' ' ALA . . . 157.54 16.03 0.04 OUTLIER Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 71' ' ' THR . 0.6 OUTLIER -102.54 155.54 18.21 Favored 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 119.978 -0.689 . . . . 0.0 111.012 -179.524 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -95.57 142.26 28.11 Favored 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 119.491 -0.883 . . . . 0.0 110.904 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.8 mt -121.87 107.42 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 C-N-CA 120.158 -0.617 . . . . 0.0 109.488 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.0 p -105.76 118.4 36.49 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 119.576 -0.85 . . . . 0.0 112.343 -178.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -85.25 138.49 32.3 Favored 'General case' 0 C--N 1.307 -1.268 0 C-N-CA 119.323 -0.951 . . . . 0.0 109.037 178.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -130.82 136.98 49.19 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 119.383 -0.927 . . . . 0.0 111.782 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.43 HD21 ' CD1' ' A' ' 61' ' ' LEU . 3.7 m-20 -80.95 115.62 20.52 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.608 -0.837 . . . . 0.0 110.062 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.674 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 1.2 t30 -99.72 -30.97 11.79 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 118.977 -1.089 . . . . 0.0 111.583 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' A' ' 32' ' ' ASN . . . 164.94 112.83 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 119.295 -0.962 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.86 5.52 1.22 Allowed Glycine 0 N--CA 1.491 2.301 0 C-N-CA 119.563 -1.303 . . . . 0.0 110.507 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -53.98 162.81 1.33 Allowed Pre-proline 0 C--N 1.308 -1.201 0 C-N-CA 118.931 -1.107 . . . . 0.0 110.103 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -77.65 146.79 82.85 Favored 'Cis proline' 0 C--O 1.212 -0.785 0 C-N-CA 124.098 -1.209 . . . . 0.0 112.37 -0.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -113.08 172.78 6.73 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 119.884 -0.727 . . . . 0.0 110.75 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.483 HD22 ' N ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -151.86 146.15 25.45 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.179 179.564 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.52 HD13 ' OE1' ' A' ' 57' ' ' GLN . 4.0 mp -135.16 124.26 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 C-N-CA 119.47 -0.892 . . . . 0.0 111.478 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.2 t -140.6 161.2 24.29 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.849 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -112.33 127.88 56.12 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 119.62 -0.832 . . . . 0.0 111.719 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.526 ' C ' ' H ' ' A' ' 44' ' ' ASP . 56.8 t0 -69.19 111.24 5.01 Favored 'General case' 0 C--N 1.308 -1.212 0 C-N-CA 119.5 -0.88 . . . . 0.0 110.013 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.14 25.2 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.496 -179.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.526 ' H ' ' C ' ' A' ' 42' ' ' ASP . 24.0 m-20 -111.77 -15.09 13.47 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 119.76 -0.776 . . . . 0.0 111.503 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -133.65 16.63 3.96 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 119.793 -0.763 . . . . 0.0 110.94 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.2 t -95.08 144.18 27.37 Favored Pre-proline 0 C--N 1.298 -1.661 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -50.19 150.82 10.07 Favored 'Trans proline' 0 C--O 1.215 -0.631 0 C-N-CA 120.752 0.968 . . . . 0.0 112.042 -179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.3 56.65 3.31 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.804 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -166.49 -34.1 0.02 OUTLIER Glycine 0 N--CA 1.489 2.205 0 C-N-CA 119.556 -1.307 . . . . 0.0 110.056 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 93.0 t -92.93 92.71 3.84 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 C-N-CA 119.487 -0.885 . . . . 0.0 110.615 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -44.74 142.91 1.56 Allowed 'General case' 0 C--N 1.308 -1.219 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.784 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.05 -7.24 36.76 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.658 -0.817 . . . . 0.0 111.21 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -79.31 -20.82 46.98 Favored 'General case' 0 C--N 1.306 -1.324 0 C-N-CA 119.442 -0.903 . . . . 0.0 111.252 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -86.97 -32.93 19.82 Favored 'General case' 0 C--N 1.304 -1.38 0 C-N-CA 119.266 -0.973 . . . . 0.0 111.783 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.8 pt -91.72 -8.18 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 C-N-CA 119.043 -1.063 . . . . 0.0 111.568 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.4 m -80.16 176.11 10.04 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 119.356 -0.937 . . . . 0.0 111.173 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.636 ' NE2' ' CG ' ' A' ' 68' ' ' TYR . 74.1 mt-30 -139.53 73.33 35.85 Favored Pre-proline 0 N--CA 1.488 1.446 0 C-N-CA 120.022 -0.671 . . . . 0.0 110.67 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -62.21 -3.56 4.17 Favored 'Trans proline' 0 C--N 1.325 -0.693 0 C-N-CA 121.46 1.44 . . . . 0.0 111.66 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -100.28 109.32 21.53 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 119.674 -0.81 . . . . 0.0 110.843 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -54.53 172.89 0.09 Allowed 'General case' 0 C--N 1.307 -1.26 0 C-N-CA 119.465 -0.894 . . . . 0.0 110.761 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.43 ' CD1' HD21 ' A' ' 31' ' ' ASN . 1.9 pp -153.9 131.38 11.34 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 119.313 -0.955 . . . . 0.0 111.061 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -127.69 35.68 4.46 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.745 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -99.78 127.25 9.19 Favored Glycine 0 N--CA 1.493 2.492 0 C-N-CA 119.446 -1.359 . . . . 0.0 110.716 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.83 119.14 16.65 Favored 'General case' 0 C--N 1.305 -1.359 0 C-N-CA 119.498 -0.881 . . . . 0.0 110.672 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.05 -13.26 67.44 Favored Glycine 0 N--CA 1.488 2.163 0 C-N-CA 119.384 -1.388 . . . . 0.0 110.536 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -54.52 151.56 7.74 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 119.101 -1.039 . . . . 0.0 110.652 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 p -145.6 164.64 31.09 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 119.41 -0.916 . . . . 0.0 111.214 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.636 ' CG ' ' NE2' ' A' ' 57' ' ' GLN . 44.0 t80 -135.92 173.34 11.82 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.525 ' N ' ' CD2' ' A' ' 68' ' ' TYR . 25.2 mt-10 -133.54 154.09 51.12 Favored 'General case' 0 N--CA 1.499 2.005 0 C-N-CA 119.108 -1.037 . . . . 0.0 111.591 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -156.73 135.23 3.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 CA-C-N 115.075 -0.966 . . . . 0.0 108.522 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 25' ' ' GLU . 44.0 m -132.86 96.89 3.89 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.453 -0.899 . . . . 0.0 111.01 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.443 ' CD1' HG11 ' A' ' 94' ' ' VAL . 39.2 mt -79.36 162.31 25.64 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.597 -0.841 . . . . 0.0 109.97 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.79 36.91 0.63 Allowed 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 118.786 -1.166 . . . . 0.0 111.893 -178.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -135.67 104.63 5.85 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 119.13 -1.028 . . . . 0.0 110.835 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -47.18 109.22 0.19 Allowed 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 119.084 -1.046 . . . . 0.0 110.808 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 175.24 -142.5 6.25 Favored Glycine 0 N--CA 1.489 2.205 0 C-N-CA 119.363 -1.398 . . . . 0.0 110.1 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.51 139.78 29.97 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 119.31 -0.956 . . . . 0.0 111.225 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.543 ' CD1' ' N ' ' A' ' 78' ' ' TYR . 2.5 m-85 -129.31 127.37 40.99 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.358 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -99.13 121.69 41.34 Favored 'General case' 0 N--CA 1.498 1.943 0 C-N-CA 119.421 -0.912 . . . . 0.0 112.036 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.577 ' CD1' ' N ' ' A' ' 80' ' ' PHE . 0.5 OUTLIER -129.03 165.85 20.36 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.097 178.026 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -170.6 -178.34 2.61 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 119.085 -1.046 . . . . 0.0 111.865 -178.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -107.02 123.51 48.3 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.266 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.555 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 1.6 tt0 -68.65 -43.78 30.57 Favored Pre-proline 0 N--CA 1.486 1.329 0 C-N-CA 119.315 -0.954 . . . . 0.0 113.01 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 83' ' ' GLU . 2.1 Cg_endo -68.29 -43.6 4.32 Favored 'Trans proline' 0 C--O 1.215 -0.643 0 C-N-CA 120.985 1.123 . . . . 0.0 112.389 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -93.66 20.21 7.73 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 119.263 -0.975 . . . . 0.0 111.519 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.43 -13.85 62.58 Favored 'General case' 0 C--N 1.303 -1.439 0 C-N-CA 119.072 -1.051 . . . . 0.0 110.648 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.64 -22.05 79.23 Favored Glycine 0 N--CA 1.492 2.387 0 C-N-CA 119.514 -1.327 . . . . 0.0 110.692 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -92.26 -35.4 13.8 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 119.324 -0.951 . . . . 0.0 110.725 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 124.87 28.34 1.15 Allowed Glycine 0 N--CA 1.496 2.634 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.15 106.93 9.17 Favored 'General case' 0 C--N 1.306 -1.293 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.98 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.524 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 2.8 pttt -132.95 174.18 10.62 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 119.537 -0.865 . . . . 0.0 110.756 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 80' ' ' PHE . . . -151.0 149.63 21.48 Favored Glycine 0 N--CA 1.494 2.512 0 C-N-CA 119.19 -1.481 . . . . 0.0 111.362 -178.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -151.91 141.51 21.75 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.362 -0.935 . . . . 0.0 111.158 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 94' ' ' VAL . 14.5 p -135.88 126.51 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.862 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 89.8 m -103.99 99.99 9.75 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.692 -0.803 . . . . 0.0 110.675 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 22.8 t -80.87 154.0 4.29 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 C-N-CA 118.686 -1.205 . . . . 0.0 110.633 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 116.273 -1.823 . . . . 0.0 110.735 -179.952 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_