data_2b0g_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 2b0g _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 1.481 1.078 0 CA-C-O 120.548 0.213 . . . . 10.0 110.521 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -62.79 157.91 20.07 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 122.885 0.474 . . . . 10.0 110.358 171.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 p -141.3 143.98 34.38 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.054 0.942 . . . . 10.0 108.689 -177.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -85.13 159.49 20.14 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.211 -1.033 . . . . 10.0 108.211 163.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -151.68 170.26 8.17 Favored Pre-proline 0 CA--C 1.54 0.559 0 C-N-CA 127.423 2.289 . . . . 10.0 106.776 -175.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -49.02 150.56 6.75 Favored 'Trans proline' 0 CA--C 1.546 1.081 0 C-N-CA 121.613 1.542 . . . . 10.0 110.787 155.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -48.54 144.77 13.34 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 123.446 2.764 . . . . 10.0 114.543 -177.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -145.71 151.8 38.58 Favored 'General case' 0 CA--C 1.528 0.099 0 C-N-CA 125.741 1.616 . . . . 10.0 107.749 175.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -75.06 10.2 1.61 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.729 1.211 . . . . 10.0 113.226 -175.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.2 mt -135.99 141.54 41.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 N-CA-C 105.719 -1.956 . . . . 10.0 105.719 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.5 mt -123.44 151.54 42.57 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 125.629 1.571 . . . . 10.0 107.662 -175.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -122.95 132.39 54.13 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 105.522 -2.029 . . . . 10.0 105.522 173.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.0 mp -126.97 145.55 50.65 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 124.801 1.24 . . . . 10.0 107.91 -164.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.8 p -143.71 174.26 10.96 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.844 0.858 . . . . 10.0 109.959 -174.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 46.8 t30 56.76 28.44 14.3 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.089 1.756 . . . . 10.0 113.068 -177.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.5 mt -78.49 162.0 67.66 Favored Pre-proline 0 CA--C 1.541 0.632 0 C-N-CA 123.762 0.825 . . . . 10.0 109.542 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -50.79 150.7 12.15 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 123.057 2.505 . . . . 10.0 113.728 171.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -68.89 -3.08 11.29 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.47 1.108 . . . . 10.0 112.065 173.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -129.17 15.3 6.21 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.983 1.713 . . . . 10.0 110.543 -174.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.0 m -55.66 141.81 36.41 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.253 0.621 . . . . 10.0 110.013 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -129.52 147.61 51.34 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 125.469 1.508 . . . . 10.0 106.968 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -50.48 -42.98 55.3 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.419 1.088 . . . . 10.0 111.363 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.5 ttm -61.38 -32.35 72.26 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.214 1.006 . . . . 10.0 111.88 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 58.1 mtt -64.63 -52.54 56.84 Favored 'General case' 0 C--N 1.342 0.256 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.24 -39.67 86.21 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 118.422 -0.799 . . . . 10.0 109.612 -177.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -57.24 -46.95 82.53 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 119.292 0.951 . . . . 10.0 110.285 175.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 37.9 ttp -62.69 -39.38 93.78 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.021 0.828 . . . . 10.0 111.317 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 77.1 mt -68.55 -46.7 68.77 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 118.695 0.68 . . . . 10.0 111.257 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -84.57 -25.66 28.52 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.856 0.753 . . . . 10.0 112.25 -172.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -63.34 -12.01 26.73 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.914 1.233 . . . . 10.0 112.951 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -58.08 -28.19 64.35 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.62 -0.675 . . . . 10.0 111.479 169.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -93.77 136.6 23.76 Favored Pre-proline 0 CA--C 1.536 0.439 0 N-CA-C 108.858 -0.793 . . . . 10.0 108.858 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -71.94 1.74 5.54 Favored 'Trans proline' 0 CA--C 1.542 0.877 0 C-N-CA 123.361 2.707 . . . . 10.0 114.663 -169.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -115.17 1.72 22.53 Favored Glycine 0 C--N 1.339 0.738 0 CA-C-O 118.577 -1.124 . . . . 10.0 113.561 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -61.69 148.7 41.85 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.341 1.571 . . . . 10.0 110.235 176.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -130.36 -48.33 1.08 Allowed 'General case' 0 C--N 1.342 0.282 0 CA-C-O 117.733 -1.127 . . . . 10.0 112.552 171.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -158.12 171.12 20.81 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 120.21 1.368 . . . . 10.0 112.113 -167.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.6 t -136.83 152.51 28.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 C-N-CA 127.106 2.162 . . . . 10.0 106.575 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.4 ttm105 -136.27 105.96 6.18 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 107.204 -1.406 . . . . 10.0 107.204 167.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.55 171.86 11.61 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.464 0.705 . . . . 10.0 109.798 175.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.1 t -116.8 92.96 39.99 Favored Pre-proline 0 CA--C 1.536 0.412 0 N-CA-C 105.535 -2.024 . . . . 10.0 105.535 169.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -71.52 7.96 1.36 Allowed 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 124.057 3.172 . . . . 10.0 114.475 -167.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -116.28 3.83 13.43 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.43 1.492 . . . . 10.0 111.914 175.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -142.17 -39.83 0.36 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.679 0.792 . . . . 10.0 112.269 177.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 15.0 m170 61.67 -29.34 0.07 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 128.071 2.549 . . . . 10.0 115.503 -175.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -71.13 -5.48 32.0 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 119.666 1.121 . . . . 10.0 113.557 -177.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.45 157.41 43.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 124.592 1.157 . . . . 10.0 109.43 170.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -159.91 177.15 11.08 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.778 1.231 . . . . 10.0 110.063 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -130.33 156.1 45.24 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 125.326 1.451 . . . . 10.0 108.653 170.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.3 t -140.22 148.91 22.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 N-CA-C 106.723 -1.584 . . . . 10.0 106.723 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -136.04 145.02 45.57 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 124.693 1.197 . . . . 10.0 109.599 -172.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -138.1 164.76 28.33 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.922 2.089 . . . . 10.0 109.826 -168.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.7 m -69.87 -40.18 75.89 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.012 1.325 . . . . 10.0 111.229 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 p -146.64 152.96 39.74 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 119.101 0.864 . . . . 10.0 110.762 -174.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -62.32 -33.05 73.93 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.228 1.811 . . . . 10.0 112.204 -173.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.3 mp -70.23 -31.21 68.52 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 121.781 -0.574 . . . . 10.0 110.286 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -83.49 -36.34 24.19 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 118.656 -0.688 . . . . 10.0 110.39 -176.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.6 p -64.12 -39.77 94.75 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 119.414 1.006 . . . . 10.0 110.102 169.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -58.19 -46.91 84.94 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-N 118.649 0.658 . . . . 10.0 111.059 173.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.95 -46.16 88.72 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.261 0.482 . . . . 10.0 110.588 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.41 -40.83 98.26 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 122.697 0.399 . . . . 10.0 111.858 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -57.31 -54.44 46.72 Favored 'General case' 0 CA--C 1.522 -0.113 0 C-N-CA 124.148 0.979 . . . . 10.0 109.206 176.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -63.25 -32.68 74.14 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.135 0.425 . . . . 10.0 110.922 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.8 -28.1 62.38 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 118.218 -0.896 . . . . 10.0 113.378 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 53.4 mt -123.51 -7.66 8.05 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.141 1.163 . . . . 10.0 114.141 -167.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -55.19 121.42 8.8 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 120.668 1.576 . . . . 10.0 108.342 168.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.2 -7.9 69.52 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.677 1.132 . . . . 10.0 113.538 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -65.27 121.88 15.82 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 119.426 1.613 . . . . 10.0 110.047 -176.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -67.86 107.1 2.5 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 108.564 -0.902 . . . . 10.0 108.564 173.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.7 -42.87 90.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 107.498 -1.297 . . . . 10.0 107.498 169.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 68.0 p -132.81 164.89 40.57 Favored Pre-proline 0 CA--C 1.542 0.669 0 N-CA-C 106.226 -1.768 . . . . 10.0 106.226 162.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -51.11 -25.45 16.89 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 124.003 3.135 . . . . 10.0 116.524 -167.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.1 p -109.61 6.96 24.33 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.212 1.405 . . . . 10.0 112.179 -173.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -133.12 73.5 1.52 Allowed 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.194 0.998 . . . . 10.0 109.866 -171.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.28 114.83 3.39 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.213 -0.903 . . . . 10.0 108.916 166.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 42.0 ttm -58.78 116.65 3.88 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 125.241 1.417 . . . . 10.0 109.405 176.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -88.83 150.69 22.79 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 107.704 -1.221 . . . . 10.0 107.704 162.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.6 mt -143.79 141.74 25.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 105.878 -1.897 . . . . 10.0 105.878 -176.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.15 159.67 41.87 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 127.21 2.204 . . . . 10.0 106.717 176.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.48 131.75 42.14 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 108.047 -1.094 . . . . 10.0 108.047 169.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.92 169.08 18.17 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 108.289 -1.004 . . . . 10.0 108.289 166.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -123.39 153.85 39.81 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.082 0.953 . . . . 10.0 108.671 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt . . . . . 0 C--O 1.25 1.086 0 N-CA-C 107.769 -1.197 . . . . 10.0 107.769 -172.446 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.548 0.213 . . . . 10.0 110.521 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -62.79 157.91 20.07 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 122.885 0.474 . . . . 10.0 110.358 171.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 p -141.3 143.98 34.38 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.054 0.942 . . . . 10.0 108.689 -177.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -85.13 159.49 20.14 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.211 -1.033 . . . . 10.0 108.211 163.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -151.68 170.26 8.17 Favored Pre-proline 0 CA--C 1.54 0.559 0 C-N-CA 127.423 2.289 . . . . 10.0 106.776 -175.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -49.02 150.56 6.75 Favored 'Trans proline' 0 CA--C 1.546 1.081 0 C-N-CA 121.613 1.542 . . . . 10.0 110.787 155.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -48.54 144.77 13.34 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 123.446 2.764 . . . . 10.0 114.543 -177.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -145.71 151.8 38.58 Favored 'General case' 0 CA--C 1.528 0.099 0 C-N-CA 125.741 1.616 . . . . 10.0 107.749 175.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -75.06 10.2 1.61 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.729 1.211 . . . . 10.0 113.226 -175.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.2 mt -135.99 141.54 41.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 N-CA-C 105.719 -1.956 . . . . 10.0 105.719 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.5 mt -123.44 151.54 42.57 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 125.629 1.571 . . . . 10.0 107.662 -175.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -122.95 132.39 54.13 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 105.522 -2.029 . . . . 10.0 105.522 173.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.0 mp -126.97 145.55 50.65 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 124.801 1.24 . . . . 10.0 107.91 -164.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.8 p -143.71 174.26 10.96 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.844 0.858 . . . . 10.0 109.959 -174.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 46.8 t30 56.76 28.44 14.3 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.089 1.756 . . . . 10.0 113.068 -177.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.5 mt -78.49 162.0 67.66 Favored Pre-proline 0 CA--C 1.541 0.632 0 C-N-CA 123.762 0.825 . . . . 10.0 109.542 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -50.79 150.7 12.15 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 123.057 2.505 . . . . 10.0 113.728 171.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -68.89 -3.08 11.29 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.47 1.108 . . . . 10.0 112.065 173.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -129.17 15.3 6.21 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.983 1.713 . . . . 10.0 110.543 -174.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.0 m -55.66 141.81 36.41 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.253 0.621 . . . . 10.0 110.013 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -129.52 147.61 51.34 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 125.469 1.508 . . . . 10.0 106.968 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.435 ' HA ' HD23 ' A' ' 40' ' ' LEU . 29.6 tt0 -50.48 -42.98 55.3 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.419 1.088 . . . . 10.0 111.363 -178.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.5 ttm -61.38 -32.35 72.26 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.214 1.006 . . . . 10.0 111.88 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 58.1 mtt -64.63 -52.54 56.84 Favored 'General case' 0 C--N 1.342 0.256 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.24 -39.67 86.21 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 118.422 -0.799 . . . . 10.0 109.612 -177.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -57.24 -46.95 82.53 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 119.292 0.951 . . . . 10.0 110.285 175.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 37.9 ttp -62.69 -39.38 93.78 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.021 0.828 . . . . 10.0 111.317 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 77.1 mt -68.55 -46.7 68.77 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 118.695 0.68 . . . . 10.0 111.257 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -84.57 -25.66 28.52 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.856 0.753 . . . . 10.0 112.25 -172.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -63.34 -12.01 26.73 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.914 1.233 . . . . 10.0 112.951 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -58.08 -28.19 64.35 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.62 -0.675 . . . . 10.0 111.479 169.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -93.77 136.6 23.76 Favored Pre-proline 0 CA--C 1.536 0.439 0 N-CA-C 108.858 -0.793 . . . . 10.0 108.858 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -71.94 1.74 5.54 Favored 'Trans proline' 0 CA--C 1.542 0.877 0 C-N-CA 123.361 2.707 . . . . 10.0 114.663 -169.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -115.17 1.72 22.53 Favored Glycine 0 C--N 1.339 0.738 0 CA-C-O 118.577 -1.124 . . . . 10.0 113.561 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -61.69 148.7 41.85 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.341 1.571 . . . . 10.0 110.235 176.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -130.36 -48.33 1.08 Allowed 'General case' 0 C--N 1.342 0.282 0 CA-C-O 117.733 -1.127 . . . . 10.0 112.552 171.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -158.12 171.12 20.81 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 120.21 1.368 . . . . 10.0 112.113 -167.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.6 t -136.83 152.51 28.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 C-N-CA 127.106 2.162 . . . . 10.0 106.575 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.4 ttm105 -136.27 105.96 6.18 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 107.204 -1.406 . . . . 10.0 107.204 167.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -72.55 171.86 11.61 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.464 0.705 . . . . 10.0 109.798 175.49 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.1 t -116.8 92.96 39.99 Favored Pre-proline 0 CA--C 1.536 0.412 0 N-CA-C 105.535 -2.024 . . . . 10.0 105.535 169.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -71.52 7.96 1.36 Allowed 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 124.057 3.172 . . . . 10.0 114.475 -167.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -116.28 3.83 13.43 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.43 1.492 . . . . 10.0 111.914 175.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -142.17 -39.83 0.36 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.679 0.792 . . . . 10.0 112.269 177.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 15.0 m170 61.67 -29.34 0.07 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 128.071 2.549 . . . . 10.0 115.503 -175.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -71.13 -5.48 32.0 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 119.666 1.121 . . . . 10.0 113.557 -177.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.45 157.41 43.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 124.592 1.157 . . . . 10.0 109.43 170.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -159.91 177.15 11.08 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.778 1.231 . . . . 10.0 110.063 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -130.33 156.1 45.24 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 125.326 1.451 . . . . 10.0 108.653 170.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.3 t -140.22 148.91 22.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 N-CA-C 106.723 -1.584 . . . . 10.0 106.723 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -136.04 145.02 45.57 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 124.693 1.197 . . . . 10.0 109.599 -172.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -138.1 164.76 28.33 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.922 2.089 . . . . 10.0 109.826 -168.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.7 m -69.87 -40.18 75.89 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.012 1.325 . . . . 10.0 111.229 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 p -146.64 152.96 39.74 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 119.101 0.864 . . . . 10.0 110.762 -174.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -62.32 -33.05 73.93 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.228 1.811 . . . . 10.0 112.204 -173.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.3 mp -70.23 -31.21 68.52 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 121.781 -0.574 . . . . 10.0 110.286 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -83.49 -36.34 24.19 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 118.656 -0.688 . . . . 10.0 110.39 -176.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.6 p -64.12 -39.77 94.75 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 119.414 1.006 . . . . 10.0 110.102 169.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -58.19 -46.91 84.94 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-N 118.649 0.658 . . . . 10.0 111.059 173.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.95 -46.16 88.72 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.261 0.482 . . . . 10.0 110.588 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.41 -40.83 98.26 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 122.697 0.399 . . . . 10.0 111.858 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -57.31 -54.44 46.72 Favored 'General case' 0 CA--C 1.522 -0.113 0 C-N-CA 124.148 0.979 . . . . 10.0 109.206 176.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -63.25 -32.68 74.14 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.135 0.425 . . . . 10.0 110.922 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.8 -28.1 62.38 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 118.218 -0.896 . . . . 10.0 113.378 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 53.4 mt -123.51 -7.66 8.05 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.141 1.163 . . . . 10.0 114.141 -167.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -55.19 121.42 8.8 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 120.668 1.576 . . . . 10.0 108.342 168.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.2 -7.9 69.52 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.677 1.132 . . . . 10.0 113.538 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -65.27 121.88 15.82 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 119.426 1.613 . . . . 10.0 110.047 -176.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -67.86 107.1 2.5 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 108.564 -0.902 . . . . 10.0 108.564 173.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.7 -42.87 90.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 107.498 -1.297 . . . . 10.0 107.498 169.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 68.0 p -132.81 164.89 40.57 Favored Pre-proline 0 CA--C 1.542 0.669 0 N-CA-C 106.226 -1.768 . . . . 10.0 106.226 162.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -51.11 -25.45 16.89 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 124.003 3.135 . . . . 10.0 116.524 -167.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.1 p -109.61 6.96 24.33 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.212 1.405 . . . . 10.0 112.179 -173.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -133.12 73.5 1.52 Allowed 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.194 0.998 . . . . 10.0 109.866 -171.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.28 114.83 3.39 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.213 -0.903 . . . . 10.0 108.916 166.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 42.0 ttm -58.78 116.65 3.88 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 125.241 1.417 . . . . 10.0 109.405 176.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -88.83 150.69 22.79 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 107.704 -1.221 . . . . 10.0 107.704 162.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.6 mt -143.79 141.74 25.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 105.878 -1.897 . . . . 10.0 105.878 -176.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.15 159.67 41.87 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 127.21 2.204 . . . . 10.0 106.717 176.041 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.48 131.75 42.14 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 108.047 -1.094 . . . . 10.0 108.047 169.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.92 169.08 18.17 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 108.289 -1.004 . . . . 10.0 108.289 166.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -123.39 153.85 39.81 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.082 0.953 . . . . 10.0 108.671 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt . . . . . 0 C--O 1.25 1.086 0 N-CA-C 107.769 -1.197 . . . . 10.0 107.769 -172.446 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.548 0.213 . . . . 10.0 110.521 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -62.79 157.91 20.07 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 122.885 0.474 . . . . 10.0 110.358 171.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 p -141.3 143.98 34.38 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.054 0.942 . . . . 10.0 108.689 -177.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -85.13 159.49 20.14 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.211 -1.033 . . . . 10.0 108.211 163.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -151.68 170.26 8.17 Favored Pre-proline 0 CA--C 1.54 0.559 0 C-N-CA 127.423 2.289 . . . . 10.0 106.776 -175.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -49.02 150.56 6.75 Favored 'Trans proline' 0 CA--C 1.546 1.081 0 C-N-CA 121.613 1.542 . . . . 10.0 110.787 155.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -48.54 144.77 13.34 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 123.446 2.764 . . . . 10.0 114.543 -177.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -145.71 151.8 38.58 Favored 'General case' 0 CA--C 1.528 0.099 0 C-N-CA 125.741 1.616 . . . . 10.0 107.749 175.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -75.06 10.2 1.61 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.729 1.211 . . . . 10.0 113.226 -175.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.2 mt -135.99 141.54 41.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 N-CA-C 105.719 -1.956 . . . . 10.0 105.719 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.5 mt -123.44 151.54 42.57 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 125.629 1.571 . . . . 10.0 107.662 -175.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -122.95 132.39 54.13 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 105.522 -2.029 . . . . 10.0 105.522 173.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.0 mp -126.97 145.55 50.65 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 124.801 1.24 . . . . 10.0 107.91 -164.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.8 p -143.71 174.26 10.96 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.844 0.858 . . . . 10.0 109.959 -174.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 46.8 t30 56.76 28.44 14.3 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.089 1.756 . . . . 10.0 113.068 -177.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.5 mt -78.49 162.0 67.66 Favored Pre-proline 0 CA--C 1.541 0.632 0 C-N-CA 123.762 0.825 . . . . 10.0 109.542 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -50.79 150.7 12.15 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 123.057 2.505 . . . . 10.0 113.728 171.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -68.89 -3.08 11.29 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.47 1.108 . . . . 10.0 112.065 173.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -129.17 15.3 6.21 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.983 1.713 . . . . 10.0 110.543 -174.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.0 m -55.66 141.81 36.41 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.253 0.621 . . . . 10.0 110.013 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -129.52 147.61 51.34 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 125.469 1.508 . . . . 10.0 106.968 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.435 ' HA ' HD23 ' A' ' 40' ' ' LEU . 29.6 tt0 -50.48 -42.98 55.3 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.419 1.088 . . . . 10.0 111.363 -178.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.5 ttm -61.38 -32.35 72.26 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.214 1.006 . . . . 10.0 111.88 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 58.1 mtt -64.63 -52.54 56.84 Favored 'General case' 0 C--N 1.342 0.256 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.24 -39.67 86.21 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 118.422 -0.799 . . . . 10.0 109.612 -177.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -57.24 -46.95 82.53 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 119.292 0.951 . . . . 10.0 110.285 175.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 37.9 ttp -62.69 -39.38 93.78 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.021 0.828 . . . . 10.0 111.317 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 77.1 mt -68.55 -46.7 68.77 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 118.695 0.68 . . . . 10.0 111.257 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -84.57 -25.66 28.52 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.856 0.753 . . . . 10.0 112.25 -172.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -63.34 -12.01 26.73 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.914 1.233 . . . . 10.0 112.951 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -58.08 -28.19 64.35 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.62 -0.675 . . . . 10.0 111.479 169.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -93.77 136.6 23.76 Favored Pre-proline 0 CA--C 1.536 0.439 0 N-CA-C 108.858 -0.793 . . . . 10.0 108.858 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -71.94 1.74 5.54 Favored 'Trans proline' 0 CA--C 1.542 0.877 0 C-N-CA 123.361 2.707 . . . . 10.0 114.663 -169.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -115.17 1.72 22.53 Favored Glycine 0 C--N 1.339 0.738 0 CA-C-O 118.577 -1.124 . . . . 10.0 113.561 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -61.69 148.7 41.85 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.341 1.571 . . . . 10.0 110.235 176.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -130.36 -48.33 1.08 Allowed 'General case' 0 C--N 1.342 0.282 0 CA-C-O 117.733 -1.127 . . . . 10.0 112.552 171.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -158.12 171.12 20.81 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 120.21 1.368 . . . . 10.0 112.113 -167.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.6 t -136.83 152.51 28.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 C-N-CA 127.106 2.162 . . . . 10.0 106.575 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.4 ttm105 -136.27 105.96 6.18 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 107.204 -1.406 . . . . 10.0 107.204 167.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -72.55 171.86 11.61 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.464 0.705 . . . . 10.0 109.798 175.49 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.1 t -116.8 92.96 39.99 Favored Pre-proline 0 CA--C 1.536 0.412 0 N-CA-C 105.535 -2.024 . . . . 10.0 105.535 169.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -71.52 7.96 1.36 Allowed 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 124.057 3.172 . . . . 10.0 114.475 -167.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -116.28 3.83 13.43 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.43 1.492 . . . . 10.0 111.914 175.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -142.17 -39.83 0.36 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.679 0.792 . . . . 10.0 112.269 177.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 15.0 m170 61.67 -29.34 0.07 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 128.071 2.549 . . . . 10.0 115.503 -175.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -71.13 -5.48 32.0 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 119.666 1.121 . . . . 10.0 113.557 -177.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.45 157.41 43.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 124.592 1.157 . . . . 10.0 109.43 170.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -159.91 177.15 11.08 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.778 1.231 . . . . 10.0 110.063 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -130.33 156.1 45.24 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 125.326 1.451 . . . . 10.0 108.653 170.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.3 t -140.22 148.91 22.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 N-CA-C 106.723 -1.584 . . . . 10.0 106.723 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -136.04 145.02 45.57 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 124.693 1.197 . . . . 10.0 109.599 -172.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -138.1 164.76 28.33 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.922 2.089 . . . . 10.0 109.826 -168.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.7 m -69.87 -40.18 75.89 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.012 1.325 . . . . 10.0 111.229 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 p -146.64 152.96 39.74 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 119.101 0.864 . . . . 10.0 110.762 -174.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -62.32 -33.05 73.93 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.228 1.811 . . . . 10.0 112.204 -173.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.3 mp -70.23 -31.21 68.52 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 121.781 -0.574 . . . . 10.0 110.286 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -83.49 -36.34 24.19 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 118.656 -0.688 . . . . 10.0 110.39 -176.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.6 p -64.12 -39.77 94.75 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 119.414 1.006 . . . . 10.0 110.102 169.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -58.19 -46.91 84.94 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-N 118.649 0.658 . . . . 10.0 111.059 173.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.95 -46.16 88.72 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.261 0.482 . . . . 10.0 110.588 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.41 -40.83 98.26 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 122.697 0.399 . . . . 10.0 111.858 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -57.31 -54.44 46.72 Favored 'General case' 0 CA--C 1.522 -0.113 0 C-N-CA 124.148 0.979 . . . . 10.0 109.206 176.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -63.25 -32.68 74.14 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.135 0.425 . . . . 10.0 110.922 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.8 -28.1 62.38 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 118.218 -0.896 . . . . 10.0 113.378 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 53.4 mt -123.51 -7.66 8.05 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.141 1.163 . . . . 10.0 114.141 -167.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -55.19 121.42 8.8 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 120.668 1.576 . . . . 10.0 108.342 168.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.2 -7.9 69.52 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.677 1.132 . . . . 10.0 113.538 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -65.27 121.88 15.82 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 119.426 1.613 . . . . 10.0 110.047 -176.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -67.86 107.1 2.5 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 108.564 -0.902 . . . . 10.0 108.564 173.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.7 -42.87 90.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 107.498 -1.297 . . . . 10.0 107.498 169.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 68.0 p -132.81 164.89 40.57 Favored Pre-proline 0 CA--C 1.542 0.669 0 N-CA-C 106.226 -1.768 . . . . 10.0 106.226 162.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -51.11 -25.45 16.89 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 124.003 3.135 . . . . 10.0 116.524 -167.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.1 p -109.61 6.96 24.33 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.212 1.405 . . . . 10.0 112.179 -173.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -133.12 73.5 1.52 Allowed 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.194 0.998 . . . . 10.0 109.866 -171.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.28 114.83 3.39 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.213 -0.903 . . . . 10.0 108.916 166.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 42.0 ttm -58.78 116.65 3.88 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 125.241 1.417 . . . . 10.0 109.405 176.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -88.83 150.69 22.79 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 107.704 -1.221 . . . . 10.0 107.704 162.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.6 mt -143.79 141.74 25.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 105.878 -1.897 . . . . 10.0 105.878 -176.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.15 159.67 41.87 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 127.21 2.204 . . . . 10.0 106.717 176.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.48 131.75 42.14 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 108.047 -1.094 . . . . 10.0 108.047 169.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.92 169.08 18.17 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 108.289 -1.004 . . . . 10.0 108.289 166.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -123.39 153.85 39.81 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.082 0.953 . . . . 10.0 108.671 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt . . . . . 0 C--O 1.25 1.086 0 N-CA-C 107.769 -1.197 . . . . 10.0 107.769 -172.446 . . . . . . . . 0 0 . 1 stop_ save_