data_2pe9_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 2pe9 _Structure_validation_residue.Date_analyzed 2016-10-08 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' ' ' MET . . . . . . . . . . . . . 6.3 ptt? . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.544 -0.539 . . . . 17.170000000000002 109.544 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.408 HE22 ' HB2' ' A' ' 16' ' ' GLU . 67.0 mm-40 -95.81 142.4 28.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.482 0.658 . . . . 21.890000000000001 110.208 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.2 pt -131.52 165.39 31.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 114.866 -1.061 . . . . 10.83 108.312 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -124.36 139.96 53.4 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.724 0.297 . . . . 10.609999999999999 111.243 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.3 t -122.91 123.78 68.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 N-CA-C 108.614 -0.884 . . . . 9.1300000000000008 108.614 177.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.942 ' HE2' ' HG1' ' B' ' 7' ' ' THR . 37.8 mttp -100.11 142.33 31.73 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.893 0.378 . . . . 20.550000000000001 110.471 179.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.5 p -101.8 166.02 10.89 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-O 122.041 0.924 . . . . 11.779999999999999 111.044 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.99 -19.61 65.29 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 113.596 -1.638 . . . . 19.309999999999999 111.192 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.6 p -93.35 -0.01 56.76 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.155 0.428 . . . . 23.140000000000001 112.155 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.5 13.95 52.1 Favored Glycine 0 CA--C 1.525 0.679 0 C-N-CA 121.198 -0.525 . . . . 19.739999999999998 113.723 177.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -90.21 144.93 25.4 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.122 -0.631 . . . . 21.93 109.701 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.5 m -117.97 127.92 54.29 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.071 -0.714 . . . . 12.33 109.071 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mt -111.58 138.99 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 109.877 -0.416 . . . . 17.079999999999998 109.877 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.7 m -105.15 132.03 51.89 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 108.727 -0.842 . . . . 16.300000000000001 108.727 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.6 mt -127.34 150.27 49.67 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.578 0.228 . . . . 15.880000000000001 110.574 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.408 ' HB2' HE22 ' A' ' 2' ' ' GLN . 86.5 tt0 -100.91 122.17 43.0 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 106.366 -1.716 . . . . 28.899999999999999 106.366 176.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.7 m -140.03 168.0 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-O 121.647 0.737 . . . . 12.050000000000001 111.872 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -118.47 150.87 48.81 Favored Pre-proline 0 CA--C 1.533 0.298 0 N-CA-C 107.187 -1.412 . . . . 18.170000000000002 107.187 177.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -58.12 -24.26 65.49 Favored 'Trans proline' 0 C--N 1.318 -1.074 0 CA-C-N 120.889 1.353 . . . . 8.1600000000000001 112.7 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.9 p -85.3 -1.75 57.31 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 112.011 0.374 . . . . 11.130000000000001 112.011 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -70.42 143.26 51.88 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 107.954 -1.128 . . . . 18.030000000000001 107.954 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.493 ' HG1' ' CG ' ' A' ' 25' ' ' ASN . 70.6 p -86.24 157.18 20.01 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 114.262 -1.336 . . . . 10.220000000000001 109.944 178.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.3 mm -61.97 -39.72 84.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.7 -0.682 . . . . 12.300000000000001 109.327 178.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.98 -38.33 82.23 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 108.725 -0.842 . . . . 36.509999999999998 108.725 178.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.493 ' CG ' ' HG1' ' A' ' 22' ' ' THR . 7.4 m-20 -66.22 -40.03 90.02 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.124 -0.695 . . . . 25.66 109.124 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.93 -43.74 99.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 109.801 -0.444 . . . . 8.1199999999999992 109.801 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -60.04 -39.92 87.6 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 109.292 -0.633 . . . . 15.470000000000001 109.292 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.53 -37.81 87.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.723 -0.672 . . . . 11.449999999999999 110.308 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -65.68 -39.1 90.96 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.741 -0.466 . . . . 24.98 109.741 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.9 mt -64.92 -40.01 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 109.629 -0.508 . . . . 9.4600000000000009 109.629 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -60.04 -44.18 94.85 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 109.342 -0.614 . . . . 14.76 109.342 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.422 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 53.8 t0 -60.32 -40.53 90.89 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.004 -0.998 . . . . 26.289999999999999 110.775 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -81.8 -40.18 22.96 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.378 1.251 . . . . 30.059999999999999 114.378 -177.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -110.79 -14.94 13.92 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.287 1.958 . . . . 25.190000000000001 116.287 -174.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.43 11.15 82.48 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 120.936 -0.65 . . . . 7.4100000000000001 113.136 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.7 mt -86.42 116.94 67.74 Favored Pre-proline 0 CA--C 1.541 0.604 0 N-CA-C 109.735 -0.469 . . . . 9.4900000000000002 109.735 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -58.82 134.81 62.81 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 CA-C-N 120.408 1.181 . . . . 11.42 112.148 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.35 -31.35 22.75 Favored 'Trans proline' 0 N--CA 1.505 2.18 0 C-N-CA 122.644 2.229 . . . . 12.0 114.433 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -71.08 -16.26 62.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 118.661 0.664 . . . . 35.549999999999997 112.079 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -100.02 1.85 42.85 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 111.716 0.265 . . . . 20.52 111.716 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -108.0 139.45 42.61 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.898 1.073 . . . . 7.1299999999999999 113.898 -177.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -126.17 123.96 39.41 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 114.8 -1.091 . . . . 36.390000000000001 108.149 176.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.8 mt -105.77 130.07 53.84 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.358 0.599 . . . . 9.5500000000000007 110.896 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.415 HG23 ' HB3' ' B' ' 71' ' ' LEU . 1.5 mp -123.15 138.02 54.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 115.162 -0.926 . . . . 13.9 110.544 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 1.623 ' CE2' ' HD3' ' B' ' 37' ' ' PRO . 94.2 t80 -139.29 127.03 21.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.271 -0.877 . . . . 6.8600000000000003 108.893 177.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 1.25 ' CB ' ' HD2' ' B' ' 37' ' ' PRO . . . 50.08 39.13 18.47 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.041 -0.527 . . . . 11.15 111.403 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 1.295 ' HA2' ' N ' ' B' ' 72' ' ' ARG . . . 82.09 0.0 89.14 Favored Glycine 0 CA--C 1.532 1.153 0 N-CA-C 114.86 0.704 . . . . 13.93 114.86 176.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 1.5 ' HG3' ' CG ' ' B' ' 40' ' ' GLN . 35.4 mtmt -112.26 139.27 47.95 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 118.733 1.267 . . . . 23.920000000000002 111.8 -179.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -79.32 129.01 34.04 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 107.639 -1.245 . . . . 23.23 107.639 178.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.3 mt -86.95 136.48 32.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 9.1099999999999994 111.572 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -91.12 149.86 21.63 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.215 0.531 . . . . 33.439999999999998 112.023 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -68.79 -20.1 64.32 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.543 0.942 . . . . 28.370000000000001 113.543 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -94.05 3.6 70.28 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 121.101 -0.571 . . . . 15.0 113.091 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 68.6 mmt-85 -110.15 165.91 11.38 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 117.619 0.71 . . . . 25.5 111.253 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.1 p -107.53 167.34 10.01 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 121.518 0.675 . . . . 11.949999999999999 112.011 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.1 mt -59.94 -42.93 95.09 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 114.869 -1.059 . . . . 10.17 110.972 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 84.0 p -61.85 -30.35 70.79 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 119.706 -0.798 . . . . 13.59 111.919 -178.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -62.05 -29.04 70.02 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.679 -0.409 . . . . 11.699999999999999 110.483 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -99.88 13.81 32.57 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.285 -0.416 . . . . 12.949999999999999 111.679 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 50.1 39.98 20.58 Favored 'General case' 0 C--O 1.231 0.08 0 N-CA-C 112.034 0.383 . . . . 25.449999999999999 112.034 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 91.2 mt -81.06 121.51 34.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 107.361 -1.348 . . . . 14.6 107.361 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -107.49 169.09 8.8 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.316 0.579 . . . . 33.229999999999997 111.997 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -51.14 141.22 14.73 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.086 -0.961 . . . . 25.969999999999999 111.674 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 66.73 23.37 10.17 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 114.714 -1.13 . . . . 32.609999999999999 112.931 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 1.087 ' HA ' ' O ' ' B' ' 34' ' ' GLU . 36.9 m -76.9 148.7 36.28 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.968 -1.123 . . . . 10.56 107.968 176.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.437 ' OG1' ' OE1' ' B' ' 34' ' ' GLU . 94.3 m -112.83 124.02 51.64 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 109.513 -0.551 . . . . 5.3300000000000001 109.513 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mp -105.16 157.41 17.29 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 107.614 -1.254 . . . . 11.66 107.614 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.401 ' CD2' ' HB2' ' B' ' 8' ' ' LEU . 77.4 m80 -112.26 134.06 54.02 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.235 -0.654 . . . . 16.300000000000001 109.235 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.6 tp -106.13 132.7 51.88 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.918 -0.771 . . . . 9.9600000000000009 108.918 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -120.71 144.8 28.44 Favored 'Isoleucine or valine' 0 C--N 1.343 0.303 0 N-CA-C 107.615 -1.254 . . . . 9.7599999999999998 107.615 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.4 mt -109.82 140.01 44.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.36 -0.836 . . . . 19.57 110.61 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 . . . . . 0 N--CA 1.465 0.289 0 CA-C-N 115.748 -0.66 . . . . 35.079999999999998 110.008 -179.9 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.3 ptt? . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 109.539 -0.541 . . . . 17.170000000000002 109.539 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.423 HE22 ' HB2' ' B' ' 16' ' ' GLU . 67.2 mm-40 -95.78 142.39 28.12 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.48 0.657 . . . . 21.890000000000001 110.269 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.1 pt -131.51 165.41 31.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 114.94 -1.027 . . . . 10.83 108.302 178.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -124.39 139.91 53.45 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.675 0.274 . . . . 10.609999999999999 111.286 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 41.3 t -122.84 123.74 68.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 108.614 -0.884 . . . . 9.1300000000000008 108.614 177.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -100.07 142.3 31.73 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.883 0.373 . . . . 20.550000000000001 110.502 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.942 ' HG1' ' HE2' ' A' ' 6' ' ' LYS . 27.5 p -101.85 166.09 10.84 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-O 122.088 0.947 . . . . 11.779999999999999 111.066 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.401 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 86.3 mt -63.98 -19.65 65.31 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 113.621 -1.627 . . . . 19.309999999999999 111.187 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.65 HG21 ' C ' ' A' ' 6' ' ' LYS . 43.9 p -93.34 0.0 56.78 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.122 0.416 . . . . 23.140000000000001 112.122 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.56 13.88 52.22 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 121.175 -0.536 . . . . 19.739999999999998 113.707 177.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.842 ' HB2' ' CE ' ' A' ' 6' ' ' LYS . 59.5 tttp -90.21 144.93 25.41 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 120.117 -0.633 . . . . 21.93 109.677 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 94.3 m -117.95 127.89 54.28 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 109.041 -0.725 . . . . 12.33 109.041 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mt -111.58 138.95 38.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 109.904 -0.406 . . . . 17.079999999999998 109.904 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 88.2 m -105.09 132.0 51.87 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 108.734 -0.839 . . . . 16.300000000000001 108.734 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 62.3 mt -127.31 150.29 49.65 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.532 0.206 . . . . 15.880000000000001 110.596 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.423 ' HB2' HE22 ' B' ' 2' ' ' GLN . 86.5 tt0 -100.93 122.18 43.03 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 106.356 -1.72 . . . . 28.899999999999999 106.356 176.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.7 m -140.06 167.98 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 121.656 0.741 . . . . 12.050000000000001 111.873 -178.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -118.46 150.89 48.82 Favored Pre-proline 0 CA--C 1.533 0.302 0 N-CA-C 107.178 -1.415 . . . . 18.170000000000002 107.178 177.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -58.13 -24.28 65.69 Favored 'Trans proline' 0 C--N 1.317 -1.114 0 CA-C-N 120.923 1.365 . . . . 8.1600000000000001 112.729 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 20.8 p -85.26 -1.74 57.29 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.329 -0.396 . . . . 11.130000000000001 112.068 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -70.48 143.29 51.77 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 107.982 -1.118 . . . . 18.030000000000001 107.982 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.485 ' HG1' ' CG ' ' B' ' 25' ' ' ASN . 71.9 p -86.33 157.21 19.95 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.251 -1.341 . . . . 10.220000000000001 109.903 178.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 35.1 mm -61.94 -39.8 84.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.688 -0.687 . . . . 12.300000000000001 109.279 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.94 -38.32 82.06 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 108.732 -0.84 . . . . 36.509999999999998 108.732 178.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.485 ' CG ' ' HG1' ' B' ' 22' ' ' THR . 7.4 m-20 -66.18 -40.03 90.17 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.177 -0.675 . . . . 25.66 109.177 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 79.4 t -62.91 -43.79 99.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.811 -0.44 . . . . 8.1199999999999992 109.811 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -60.01 -40.03 87.84 Favored 'General case' 0 C--N 1.342 0.24 0 N-CA-C 109.208 -0.664 . . . . 15.470000000000001 109.208 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.45 -37.79 87.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.756 -0.656 . . . . 11.449999999999999 110.344 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -65.78 -39.0 90.55 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.718 -0.475 . . . . 24.98 109.718 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 45.0 mt -64.99 -39.96 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 N-CA-C 109.632 -0.507 . . . . 9.4600000000000009 109.632 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -60.09 -44.13 95.03 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 109.337 -0.616 . . . . 14.76 109.337 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' B' ' 32' ' ' ASP . 53.8 t0 -60.37 -40.57 91.26 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.055 -0.975 . . . . 26.289999999999999 110.746 -178.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -81.74 -40.19 23.08 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.424 1.268 . . . . 30.059999999999999 114.424 -177.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 1.087 ' O ' ' HA ' ' A' ' 65' ' ' SER . 78.4 mm-40 -110.83 -14.92 13.91 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 116.31 1.967 . . . . 25.190000000000001 116.31 -174.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.559 ' HA3' ' OG ' ' A' ' 65' ' ' SER . . . 82.36 11.19 82.5 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 120.918 -0.658 . . . . 7.4100000000000001 113.096 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 1.219 ' HA ' ' CZ ' ' A' ' 45' ' ' PHE . 16.5 mt -86.4 117.0 67.97 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 109.775 -0.454 . . . . 9.4900000000000002 109.775 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 1.623 ' HD3' ' CE2' ' A' ' 45' ' ' PHE . 26.2 Cg_exo -58.86 134.77 62.43 Favored 'Trans proline' 0 N--CA 1.497 1.689 0 CA-C-N 120.431 1.19 . . . . 11.42 112.099 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -49.34 -31.34 22.57 Favored 'Trans proline' 0 N--CA 1.504 2.13 0 C-N-CA 122.609 2.206 . . . . 12.0 114.486 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -71.02 -16.33 62.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 118.587 0.63 . . . . 35.549999999999997 112.063 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 1.5 ' CG ' ' HG3' ' A' ' 48' ' ' LYS . 94.7 mt-30 -100.06 1.82 42.72 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 111.707 0.262 . . . . 20.52 111.707 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -107.96 139.45 42.56 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.913 1.079 . . . . 7.1299999999999999 113.913 -178.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -126.19 123.91 39.27 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 114.777 -1.101 . . . . 36.390000000000001 108.176 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 90.6 mt -105.67 130.13 53.75 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.318 0.58 . . . . 9.5500000000000007 110.94 -179.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -123.21 138.03 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 115.218 -0.901 . . . . 13.9 110.525 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -139.29 127.03 21.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.233 -0.894 . . . . 6.8600000000000003 108.901 177.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.02 39.14 18.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.057 -0.519 . . . . 11.15 111.41 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.08 0.02 89.15 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-O 119.222 -0.765 . . . . 13.93 114.802 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -112.26 139.27 47.94 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 118.838 1.319 . . . . 23.920000000000002 111.728 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -79.37 128.99 34.03 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 107.564 -1.273 . . . . 23.23 107.564 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 46.8 mt -86.96 136.53 32.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.866 0.365 . . . . 9.1099999999999994 111.586 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -91.12 149.9 21.61 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 121.26 0.552 . . . . 33.439999999999998 112.038 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -68.85 -20.0 64.27 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.562 0.949 . . . . 28.370000000000001 113.562 -177.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -94.05 3.47 70.13 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 121.122 -0.561 . . . . 15.0 113.057 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 68.7 mmt-85 -110.06 165.97 11.31 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 117.627 0.713 . . . . 25.5 111.293 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.3 p -107.63 167.33 10.03 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-O 121.512 0.673 . . . . 11.949999999999999 111.962 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.0 mt -59.89 -43.0 95.04 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 114.864 -1.062 . . . . 10.17 110.973 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 84.2 p -61.84 -30.3 70.75 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 119.635 -0.826 . . . . 13.59 111.928 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -62.13 -28.97 70.01 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.675 -0.41 . . . . 11.699999999999999 110.483 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -99.85 13.7 32.88 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.277 -0.42 . . . . 12.949999999999999 111.68 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 50.15 39.94 20.68 Favored 'General case' 0 C--O 1.231 0.116 0 N-CA-C 112.056 0.391 . . . . 25.449999999999999 112.056 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 91.1 mt -81.02 121.54 34.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 107.375 -1.343 . . . . 14.6 107.375 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -107.49 169.08 8.8 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.297 0.57 . . . . 33.229999999999997 112.048 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -51.07 141.18 14.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.122 -0.945 . . . . 25.969999999999999 111.657 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 66.79 23.34 10.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.767 -1.106 . . . . 32.609999999999999 112.936 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 36.9 m -76.87 148.69 36.33 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.99 -1.115 . . . . 10.56 107.99 176.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 94.2 m -112.83 124.02 51.63 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 109.57 -0.53 . . . . 5.3300000000000001 109.57 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mp -105.15 157.4 17.29 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 107.628 -1.249 . . . . 11.66 107.628 177.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -112.21 134.08 53.96 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.207 -0.664 . . . . 16.300000000000001 109.207 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 26.7 tp -106.16 132.71 51.91 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.914 -0.773 . . . . 9.9600000000000009 108.914 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -120.67 144.87 28.18 Favored 'Isoleucine or valine' 0 C--N 1.343 0.316 0 N-CA-C 107.638 -1.245 . . . . 9.7599999999999998 107.638 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.415 ' HB3' HG23 ' A' ' 44' ' ' ILE . 41.4 mt -109.86 139.99 44.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.371 -0.831 . . . . 19.57 110.604 -179.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 1.295 ' N ' ' HA2' ' A' ' 47' ' ' GLY . 36.6 ttt180 . . . . . 0 N--CA 1.464 0.262 0 CA-C-N 115.734 -0.666 . . . . 35.079999999999998 109.989 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 ptt? . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.544 -0.539 . . . . 17.17 109.544 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.427 HE22 ' HB2' ' A' ' 16' ' ' GLU . 67.0 mm-40 -95.81 142.4 28.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.482 0.658 . . . . 21.89 110.208 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.2 pt -131.52 165.39 31.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 114.866 -1.061 . . . . 10.83 108.312 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -124.36 139.96 53.4 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.724 0.297 . . . . 10.61 111.243 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.3 t -122.91 123.78 68.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 N-CA-C 108.614 -0.884 . . . . 9.13 108.614 177.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.868 ' HE2' ' OG1' ' B' ' 7' ' ' THR . 37.8 mttp -100.11 142.33 31.73 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.893 0.378 . . . . 20.55 110.471 179.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.5 p -101.8 166.02 10.89 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-O 122.041 0.924 . . . . 11.78 111.044 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.99 -19.61 65.29 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 113.596 -1.638 . . . . 19.31 111.192 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.6 p -93.35 -0.01 56.76 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.155 0.428 . . . . 23.14 112.155 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.5 13.95 52.1 Favored Glycine 0 CA--C 1.525 0.679 0 C-N-CA 121.198 -0.525 . . . . 19.74 113.723 177.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -90.21 144.93 25.4 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.122 -0.631 . . . . 21.93 109.701 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.5 m -117.97 127.92 54.29 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.071 -0.714 . . . . 12.33 109.071 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mt -111.58 138.99 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 109.877 -0.416 . . . . 17.08 109.877 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.7 m -105.15 132.03 51.89 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 108.727 -0.842 . . . . 16.3 108.727 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.6 mt -127.34 150.27 49.67 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.578 0.228 . . . . 15.88 110.574 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.427 ' HB2' HE22 ' A' ' 2' ' ' GLN . 86.5 tt0 -100.91 122.17 43.0 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 106.366 -1.716 . . . . 28.9 106.366 176.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.7 m -140.03 168.0 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-O 121.647 0.737 . . . . 12.05 111.872 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -118.47 150.87 48.81 Favored Pre-proline 0 CA--C 1.533 0.298 0 N-CA-C 107.187 -1.412 . . . . 18.17 107.187 177.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -58.12 -24.26 65.49 Favored 'Trans proline' 0 C--N 1.318 -1.074 0 CA-C-N 120.889 1.353 . . . . 8.16 112.7 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.9 p -85.3 -1.75 57.31 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 112.011 0.374 . . . . 11.13 112.011 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -70.42 143.26 51.88 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 107.954 -1.128 . . . . 18.03 107.954 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.404 ' OG1' ' OD1' ' A' ' 25' ' ' ASN . 70.6 p -86.24 157.18 20.01 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 114.262 -1.336 . . . . 10.22 109.944 178.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.3 mm -61.97 -39.72 84.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.7 -0.682 . . . . 12.3 109.327 178.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.98 -38.33 82.23 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 108.725 -0.842 . . . . 36.51 108.725 178.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.404 ' OD1' ' OG1' ' A' ' 22' ' ' THR . 7.4 m-20 -66.22 -40.03 90.02 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.124 -0.695 . . . . 25.66 109.124 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.93 -43.74 99.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 109.801 -0.444 . . . . 8.12 109.801 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -60.04 -39.92 87.6 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 109.292 -0.633 . . . . 15.47 109.292 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.53 -37.81 87.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.723 -0.672 . . . . 11.45 110.308 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -65.68 -39.1 90.96 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.741 -0.466 . . . . 24.98 109.741 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.9 mt -64.92 -40.01 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 109.629 -0.508 . . . . 9.46 109.629 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -60.04 -44.18 94.85 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 109.342 -0.614 . . . . 14.76 109.342 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 32' ' ' ASP . 53.8 t0 -60.32 -40.53 90.89 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.004 -0.998 . . . . 26.29 110.775 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -81.8 -40.18 22.96 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.378 1.251 . . . . 30.06 114.378 -177.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -110.79 -14.94 13.92 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.287 1.958 . . . . 25.19 116.287 -174.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.43 11.15 82.48 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 120.936 -0.65 . . . . 7.41 113.136 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.7 mt -86.42 116.94 67.74 Favored Pre-proline 0 CA--C 1.541 0.604 0 N-CA-C 109.735 -0.469 . . . . 9.49 109.735 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -58.82 134.81 62.81 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 CA-C-N 120.408 1.181 . . . . 11.42 112.148 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.35 -31.35 22.75 Favored 'Trans proline' 0 N--CA 1.505 2.18 0 C-N-CA 122.644 2.229 . . . . 12.0 114.433 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -71.08 -16.26 62.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 118.661 0.664 . . . . 35.55 112.079 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -100.02 1.85 42.85 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 111.716 0.265 . . . . 20.52 111.716 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -108.0 139.45 42.61 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.898 1.073 . . . . 7.13 113.898 -177.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -126.17 123.96 39.41 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 114.8 -1.091 . . . . 36.39 108.149 176.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.8 mt -105.77 130.07 53.84 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.358 0.599 . . . . 9.55 110.896 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -123.15 138.02 54.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 115.162 -0.926 . . . . 13.9 110.544 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 1.625 ' CE2' ' HD3' ' B' ' 37' ' ' PRO . 94.2 t80 -139.29 127.03 21.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.271 -0.877 . . . . 6.86 108.893 177.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.225 ' CB ' ' HD2' ' B' ' 37' ' ' PRO . . . 50.08 39.13 18.47 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.041 -0.527 . . . . 11.15 111.403 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 1.309 ' HA2' ' N ' ' B' ' 72' ' ' ARG . . . 82.09 0.0 89.14 Favored Glycine 0 CA--C 1.532 1.153 0 N-CA-C 114.86 0.704 . . . . 13.93 114.86 176.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 1.532 ' HG3' ' CG ' ' B' ' 40' ' ' GLN . 35.4 mtmt -112.26 139.27 47.95 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 118.733 1.267 . . . . 23.92 111.8 -179.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -79.32 129.01 34.04 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 107.639 -1.245 . . . . 23.23 107.639 178.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.3 mt -86.95 136.48 32.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 9.11 111.572 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -91.12 149.86 21.63 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.215 0.531 . . . . 33.44 112.023 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -68.79 -20.1 64.32 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.543 0.942 . . . . 28.37 113.543 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -94.05 3.6 70.28 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 121.101 -0.571 . . . . 15.0 113.091 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 68.6 mmt-85 -110.15 165.91 11.38 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 117.619 0.71 . . . . 25.5 111.253 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.1 p -107.53 167.34 10.01 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 121.518 0.675 . . . . 11.95 112.011 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.1 mt -59.94 -42.93 95.09 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 114.869 -1.059 . . . . 10.17 110.972 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 84.0 p -61.85 -30.35 70.79 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 119.706 -0.798 . . . . 13.59 111.919 -178.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -62.05 -29.04 70.02 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.679 -0.409 . . . . 11.7 110.483 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -99.88 13.81 32.57 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.285 -0.416 . . . . 12.95 111.679 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 50.1 39.98 20.58 Favored 'General case' 0 C--O 1.231 0.08 0 N-CA-C 112.034 0.383 . . . . 25.45 112.034 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 91.2 mt -81.06 121.51 34.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 107.361 -1.348 . . . . 14.6 107.361 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -107.49 169.09 8.8 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.316 0.579 . . . . 33.23 111.997 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -51.14 141.22 14.73 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.086 -0.961 . . . . 25.97 111.674 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 66.73 23.37 10.17 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 114.714 -1.13 . . . . 32.61 112.931 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 1.098 ' HA ' ' O ' ' B' ' 34' ' ' GLU . 36.9 m -76.9 148.7 36.28 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.968 -1.123 . . . . 10.56 107.968 176.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 94.3 m -112.83 124.02 51.64 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 109.513 -0.551 . . . . 5.33 109.513 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 67' ' ' LEU . 4.0 mp -105.16 157.41 17.29 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 107.614 -1.254 . . . . 11.66 107.614 177.454 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.405 ' CD2' ' HB2' ' B' ' 8' ' ' LEU . 77.4 m80 -112.26 134.06 54.02 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.235 -0.654 . . . . 16.3 109.235 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.6 tp -106.13 132.7 51.88 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.918 -0.771 . . . . 9.96 108.918 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -120.71 144.8 28.44 Favored 'Isoleucine or valine' 0 C--N 1.343 0.303 0 N-CA-C 107.615 -1.254 . . . . 9.76 107.615 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.4 mt -109.82 140.01 44.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.36 -0.836 . . . . 19.57 110.61 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 . . . . . 0 N--CA 1.465 0.289 0 CA-C-N 115.748 -0.66 . . . . 35.08 110.008 -179.9 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.3 ptt? . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 109.539 -0.541 . . . . 17.17 109.539 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.443 HE22 ' HB2' ' B' ' 16' ' ' GLU . 67.2 mm-40 -95.78 142.39 28.12 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.48 0.657 . . . . 21.89 110.269 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.1 pt -131.51 165.41 31.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 114.94 -1.027 . . . . 10.83 108.302 178.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -124.39 139.91 53.45 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.675 0.274 . . . . 10.61 111.286 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 41.3 t -122.84 123.74 68.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 108.614 -0.884 . . . . 9.13 108.614 177.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -100.07 142.3 31.73 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.883 0.373 . . . . 20.55 110.502 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.868 ' OG1' ' HE2' ' A' ' 6' ' ' LYS . 27.5 p -101.85 166.09 10.84 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-O 122.088 0.947 . . . . 11.78 111.066 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.405 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 86.3 mt -63.98 -19.65 65.31 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 113.621 -1.627 . . . . 19.31 111.187 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.562 HG22 ' C ' ' A' ' 6' ' ' LYS . 43.9 p -93.34 0.0 56.78 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.122 0.416 . . . . 23.14 112.122 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.56 13.88 52.22 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 121.175 -0.536 . . . . 19.74 113.707 177.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.851 ' HB2' ' CE ' ' A' ' 6' ' ' LYS . 59.5 tttp -90.21 144.93 25.41 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 120.117 -0.633 . . . . 21.93 109.677 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 94.3 m -117.95 127.89 54.28 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 109.041 -0.725 . . . . 12.33 109.041 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mt -111.58 138.95 38.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 109.904 -0.406 . . . . 17.08 109.904 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 88.2 m -105.09 132.0 51.87 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 108.734 -0.839 . . . . 16.3 108.734 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 62.3 mt -127.31 150.29 49.65 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.532 0.206 . . . . 15.88 110.596 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.443 ' HB2' HE22 ' B' ' 2' ' ' GLN . 86.5 tt0 -100.93 122.18 43.03 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 106.356 -1.72 . . . . 28.9 106.356 176.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.7 m -140.06 167.98 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 121.656 0.741 . . . . 12.05 111.873 -178.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -118.46 150.89 48.82 Favored Pre-proline 0 CA--C 1.533 0.302 0 N-CA-C 107.178 -1.415 . . . . 18.17 107.178 177.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -58.13 -24.28 65.69 Favored 'Trans proline' 0 C--N 1.317 -1.114 0 CA-C-N 120.923 1.365 . . . . 8.16 112.729 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 20.8 p -85.26 -1.74 57.29 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.329 -0.396 . . . . 11.13 112.068 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -70.48 143.29 51.77 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 107.982 -1.118 . . . . 18.03 107.982 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.405 ' OG1' ' OD1' ' B' ' 25' ' ' ASN . 71.9 p -86.33 157.21 19.95 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.251 -1.341 . . . . 10.22 109.903 178.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 35.1 mm -61.94 -39.8 84.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.688 -0.687 . . . . 12.3 109.279 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.94 -38.32 82.06 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 108.732 -0.84 . . . . 36.51 108.732 178.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.405 ' OD1' ' OG1' ' B' ' 22' ' ' THR . 7.4 m-20 -66.18 -40.03 90.17 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.177 -0.675 . . . . 25.66 109.177 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 79.4 t -62.91 -43.79 99.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.811 -0.44 . . . . 8.12 109.811 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -60.01 -40.03 87.84 Favored 'General case' 0 C--N 1.342 0.24 0 N-CA-C 109.208 -0.664 . . . . 15.47 109.208 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.45 -37.79 87.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.756 -0.656 . . . . 11.45 110.344 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -65.78 -39.0 90.55 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.718 -0.475 . . . . 24.98 109.718 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 45.0 mt -64.99 -39.96 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 N-CA-C 109.632 -0.507 . . . . 9.46 109.632 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -60.09 -44.13 95.03 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 109.337 -0.616 . . . . 14.76 109.337 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' B' ' 32' ' ' ASP . 53.8 t0 -60.37 -40.57 91.26 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.055 -0.975 . . . . 26.29 110.746 -178.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -81.74 -40.19 23.08 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.424 1.268 . . . . 30.06 114.424 -177.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 1.098 ' O ' ' HA ' ' A' ' 65' ' ' SER . 78.4 mm-40 -110.83 -14.92 13.91 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 116.31 1.967 . . . . 25.19 116.31 -174.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.566 ' HA3' ' OG ' ' A' ' 65' ' ' SER . . . 82.36 11.19 82.5 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 120.918 -0.658 . . . . 7.41 113.096 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 1.233 ' HA ' ' CZ ' ' A' ' 45' ' ' PHE . 16.5 mt -86.4 117.0 67.97 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 109.775 -0.454 . . . . 9.49 109.775 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 1.625 ' HD3' ' CE2' ' A' ' 45' ' ' PHE . 26.2 Cg_exo -58.86 134.77 62.43 Favored 'Trans proline' 0 N--CA 1.497 1.689 0 CA-C-N 120.431 1.19 . . . . 11.42 112.099 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -49.34 -31.34 22.57 Favored 'Trans proline' 0 N--CA 1.504 2.13 0 C-N-CA 122.609 2.206 . . . . 12.0 114.486 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -71.02 -16.33 62.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 118.587 0.63 . . . . 35.55 112.063 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 1.532 ' CG ' ' HG3' ' A' ' 48' ' ' LYS . 94.7 mt-30 -100.06 1.82 42.72 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 111.707 0.262 . . . . 20.52 111.707 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -107.96 139.45 42.56 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.913 1.079 . . . . 7.13 113.913 -178.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -126.19 123.91 39.27 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 114.777 -1.101 . . . . 36.39 108.176 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 90.6 mt -105.67 130.13 53.75 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.318 0.58 . . . . 9.55 110.94 -179.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -123.21 138.03 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 115.218 -0.901 . . . . 13.9 110.525 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -139.29 127.03 21.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.233 -0.894 . . . . 6.86 108.901 177.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.02 39.14 18.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.057 -0.519 . . . . 11.15 111.41 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.08 0.02 89.15 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-O 119.222 -0.765 . . . . 13.93 114.802 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -112.26 139.27 47.94 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 118.838 1.319 . . . . 23.92 111.728 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -79.37 128.99 34.03 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 107.564 -1.273 . . . . 23.23 107.564 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 46.8 mt -86.96 136.53 32.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.866 0.365 . . . . 9.11 111.586 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -91.12 149.9 21.61 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 121.26 0.552 . . . . 33.44 112.038 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -68.85 -20.0 64.27 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.562 0.949 . . . . 28.37 113.562 -177.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -94.05 3.47 70.13 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 121.122 -0.561 . . . . 15.0 113.057 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 68.7 mmt-85 -110.06 165.97 11.31 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 117.627 0.713 . . . . 25.5 111.293 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.3 p -107.63 167.33 10.03 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-O 121.512 0.673 . . . . 11.95 111.962 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.0 mt -59.89 -43.0 95.04 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 114.864 -1.062 . . . . 10.17 110.973 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 84.2 p -61.84 -30.3 70.75 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 119.635 -0.826 . . . . 13.59 111.928 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -62.13 -28.97 70.01 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.675 -0.41 . . . . 11.7 110.483 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -99.85 13.7 32.88 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.277 -0.42 . . . . 12.95 111.68 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 50.15 39.94 20.68 Favored 'General case' 0 C--O 1.231 0.116 0 N-CA-C 112.056 0.391 . . . . 25.45 112.056 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 91.1 mt -81.02 121.54 34.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 107.375 -1.343 . . . . 14.6 107.375 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -107.49 169.08 8.8 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.297 0.57 . . . . 33.23 112.048 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -51.07 141.18 14.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.122 -0.945 . . . . 25.97 111.657 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 66.79 23.34 10.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.767 -1.106 . . . . 32.61 112.936 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 36.9 m -76.87 148.69 36.33 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.99 -1.115 . . . . 10.56 107.99 176.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 94.2 m -112.83 124.02 51.63 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 109.57 -0.53 . . . . 5.33 109.57 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.41 ' N ' HD12 ' B' ' 67' ' ' LEU . 4.0 mp -105.15 157.4 17.29 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 107.628 -1.249 . . . . 11.66 107.628 177.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -112.21 134.08 53.96 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.207 -0.664 . . . . 16.3 109.207 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 26.7 tp -106.16 132.71 51.91 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.914 -0.773 . . . . 9.96 108.914 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -120.67 144.87 28.18 Favored 'Isoleucine or valine' 0 C--N 1.343 0.316 0 N-CA-C 107.638 -1.245 . . . . 9.76 107.638 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 41.4 mt -109.86 139.99 44.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.371 -0.831 . . . . 19.57 110.604 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 1.309 ' N ' ' HA2' ' A' ' 47' ' ' GLY . 36.6 ttt180 . . . . . 0 N--CA 1.464 0.262 0 CA-C-N 115.734 -0.666 . . . . 35.08 109.989 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 ptt? . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.544 -0.539 . . . . 17.17 109.544 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.427 HE22 ' HB2' ' A' ' 16' ' ' GLU . 67.0 mm-40 -95.81 142.4 28.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.482 0.658 . . . . 21.89 110.208 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.2 pt -131.52 165.39 31.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 114.866 -1.061 . . . . 10.83 108.312 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -124.36 139.96 53.4 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.724 0.297 . . . . 10.61 111.243 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.3 t -122.91 123.78 68.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 N-CA-C 108.614 -0.884 . . . . 9.13 108.614 177.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.868 ' HE2' ' OG1' ' B' ' 7' ' ' THR . 37.8 mttp -100.11 142.33 31.73 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.893 0.378 . . . . 20.55 110.471 179.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.5 p -101.8 166.02 10.89 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-O 122.041 0.924 . . . . 11.78 111.044 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.99 -19.61 65.29 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 113.596 -1.638 . . . . 19.31 111.192 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.6 p -93.35 -0.01 56.76 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.155 0.428 . . . . 23.14 112.155 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.5 13.95 52.1 Favored Glycine 0 CA--C 1.525 0.679 0 C-N-CA 121.198 -0.525 . . . . 19.74 113.723 177.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -90.21 144.93 25.4 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.122 -0.631 . . . . 21.93 109.701 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.5 m -117.97 127.92 54.29 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.071 -0.714 . . . . 12.33 109.071 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mt -111.58 138.99 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 109.877 -0.416 . . . . 17.08 109.877 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.7 m -105.15 132.03 51.89 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 108.727 -0.842 . . . . 16.3 108.727 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.6 mt -127.34 150.27 49.67 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.578 0.228 . . . . 15.88 110.574 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.427 ' HB2' HE22 ' A' ' 2' ' ' GLN . 86.5 tt0 -100.91 122.17 43.0 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 106.366 -1.716 . . . . 28.9 106.366 176.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.7 m -140.03 168.0 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-O 121.647 0.737 . . . . 12.05 111.872 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -118.47 150.87 48.81 Favored Pre-proline 0 CA--C 1.533 0.298 0 N-CA-C 107.187 -1.412 . . . . 18.17 107.187 177.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -58.12 -24.26 65.49 Favored 'Trans proline' 0 C--N 1.318 -1.074 0 CA-C-N 120.889 1.353 . . . . 8.16 112.7 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.9 p -85.3 -1.75 57.31 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 112.011 0.374 . . . . 11.13 112.011 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -70.42 143.26 51.88 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 107.954 -1.128 . . . . 18.03 107.954 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.404 ' OG1' ' OD1' ' A' ' 25' ' ' ASN . 70.6 p -86.24 157.18 20.01 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 114.262 -1.336 . . . . 10.22 109.944 178.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.3 mm -61.97 -39.72 84.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.7 -0.682 . . . . 12.3 109.327 178.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.98 -38.33 82.23 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 108.725 -0.842 . . . . 36.51 108.725 178.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.404 ' OD1' ' OG1' ' A' ' 22' ' ' THR . 7.4 m-20 -66.22 -40.03 90.02 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.124 -0.695 . . . . 25.66 109.124 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.93 -43.74 99.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 109.801 -0.444 . . . . 8.12 109.801 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -60.04 -39.92 87.6 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 109.292 -0.633 . . . . 15.47 109.292 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.53 -37.81 87.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.723 -0.672 . . . . 11.45 110.308 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -65.68 -39.1 90.96 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.741 -0.466 . . . . 24.98 109.741 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.9 mt -64.92 -40.01 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 109.629 -0.508 . . . . 9.46 109.629 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -60.04 -44.18 94.85 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 109.342 -0.614 . . . . 14.76 109.342 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 32' ' ' ASP . 53.8 t0 -60.32 -40.53 90.89 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.004 -0.998 . . . . 26.29 110.775 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -81.8 -40.18 22.96 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.378 1.251 . . . . 30.06 114.378 -177.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -110.79 -14.94 13.92 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.287 1.958 . . . . 25.19 116.287 -174.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.43 11.15 82.48 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 120.936 -0.65 . . . . 7.41 113.136 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.7 mt -86.42 116.94 67.74 Favored Pre-proline 0 CA--C 1.541 0.604 0 N-CA-C 109.735 -0.469 . . . . 9.49 109.735 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -58.82 134.81 62.81 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 CA-C-N 120.408 1.181 . . . . 11.42 112.148 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.35 -31.35 22.75 Favored 'Trans proline' 0 N--CA 1.505 2.18 0 C-N-CA 122.644 2.229 . . . . 12.0 114.433 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -71.08 -16.26 62.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 118.661 0.664 . . . . 35.55 112.079 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -100.02 1.85 42.85 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 111.716 0.265 . . . . 20.52 111.716 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -108.0 139.45 42.61 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.898 1.073 . . . . 7.13 113.898 -177.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -126.17 123.96 39.41 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 114.8 -1.091 . . . . 36.39 108.149 176.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.8 mt -105.77 130.07 53.84 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.358 0.599 . . . . 9.55 110.896 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -123.15 138.02 54.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 115.162 -0.926 . . . . 13.9 110.544 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 1.625 ' CE2' ' HD3' ' B' ' 37' ' ' PRO . 94.2 t80 -139.29 127.03 21.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.271 -0.877 . . . . 6.86 108.893 177.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.225 ' CB ' ' HD2' ' B' ' 37' ' ' PRO . . . 50.08 39.13 18.47 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.041 -0.527 . . . . 11.15 111.403 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 1.309 ' HA2' ' N ' ' B' ' 72' ' ' ARG . . . 82.09 0.0 89.14 Favored Glycine 0 CA--C 1.532 1.153 0 N-CA-C 114.86 0.704 . . . . 13.93 114.86 176.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 1.532 ' HG3' ' CG ' ' B' ' 40' ' ' GLN . 35.4 mtmt -112.26 139.27 47.95 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 118.733 1.267 . . . . 23.92 111.8 -179.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -79.32 129.01 34.04 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 107.639 -1.245 . . . . 23.23 107.639 178.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.3 mt -86.95 136.48 32.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 9.11 111.572 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -91.12 149.86 21.63 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.215 0.531 . . . . 33.44 112.023 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -68.79 -20.1 64.32 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.543 0.942 . . . . 28.37 113.543 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -94.05 3.6 70.28 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 121.101 -0.571 . . . . 15.0 113.091 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 68.6 mmt-85 -110.15 165.91 11.38 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 117.619 0.71 . . . . 25.5 111.253 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.1 p -107.53 167.34 10.01 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 121.518 0.675 . . . . 11.95 112.011 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.1 mt -59.94 -42.93 95.09 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 114.869 -1.059 . . . . 10.17 110.972 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 84.0 p -61.85 -30.35 70.79 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 119.706 -0.798 . . . . 13.59 111.919 -178.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -62.05 -29.04 70.02 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.679 -0.409 . . . . 11.7 110.483 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -99.88 13.81 32.57 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.285 -0.416 . . . . 12.95 111.679 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 50.1 39.98 20.58 Favored 'General case' 0 C--O 1.231 0.08 0 N-CA-C 112.034 0.383 . . . . 25.45 112.034 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 91.2 mt -81.06 121.51 34.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 107.361 -1.348 . . . . 14.6 107.361 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -107.49 169.09 8.8 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.316 0.579 . . . . 33.23 111.997 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -51.14 141.22 14.73 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.086 -0.961 . . . . 25.97 111.674 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 66.73 23.37 10.17 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 114.714 -1.13 . . . . 32.61 112.931 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 1.098 ' HA ' ' O ' ' B' ' 34' ' ' GLU . 36.9 m -76.9 148.7 36.28 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.968 -1.123 . . . . 10.56 107.968 176.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 94.3 m -112.83 124.02 51.64 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 109.513 -0.551 . . . . 5.33 109.513 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 67' ' ' LEU . 4.0 mp -105.16 157.41 17.29 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 107.614 -1.254 . . . . 11.66 107.614 177.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.405 ' CD2' ' HB2' ' B' ' 8' ' ' LEU . 77.4 m80 -112.26 134.06 54.02 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.235 -0.654 . . . . 16.3 109.235 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.6 tp -106.13 132.7 51.88 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.918 -0.771 . . . . 9.96 108.918 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -120.71 144.8 28.44 Favored 'Isoleucine or valine' 0 C--N 1.343 0.303 0 N-CA-C 107.615 -1.254 . . . . 9.76 107.615 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.4 mt -109.82 140.01 44.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.36 -0.836 . . . . 19.57 110.61 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 . . . . . 0 N--CA 1.465 0.289 0 CA-C-N 115.748 -0.66 . . . . 35.08 110.008 -179.9 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.3 ptt? . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 109.539 -0.541 . . . . 17.17 109.539 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.443 HE22 ' HB2' ' B' ' 16' ' ' GLU . 67.2 mm-40 -95.78 142.39 28.12 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.48 0.657 . . . . 21.89 110.269 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.1 pt -131.51 165.41 31.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 114.94 -1.027 . . . . 10.83 108.302 178.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -124.39 139.91 53.45 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.675 0.274 . . . . 10.61 111.286 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 41.3 t -122.84 123.74 68.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 108.614 -0.884 . . . . 9.13 108.614 177.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -100.07 142.3 31.73 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.883 0.373 . . . . 20.55 110.502 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.868 ' OG1' ' HE2' ' A' ' 6' ' ' LYS . 27.5 p -101.85 166.09 10.84 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-O 122.088 0.947 . . . . 11.78 111.066 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.405 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 86.3 mt -63.98 -19.65 65.31 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 113.621 -1.627 . . . . 19.31 111.187 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.562 HG22 ' C ' ' A' ' 6' ' ' LYS . 43.9 p -93.34 0.0 56.78 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.122 0.416 . . . . 23.14 112.122 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.56 13.88 52.22 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 121.175 -0.536 . . . . 19.74 113.707 177.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.851 ' HB2' ' CE ' ' A' ' 6' ' ' LYS . 59.5 tttp -90.21 144.93 25.41 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 120.117 -0.633 . . . . 21.93 109.677 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 94.3 m -117.95 127.89 54.28 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 109.041 -0.725 . . . . 12.33 109.041 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mt -111.58 138.95 38.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 109.904 -0.406 . . . . 17.08 109.904 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 88.2 m -105.09 132.0 51.87 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 108.734 -0.839 . . . . 16.3 108.734 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 62.3 mt -127.31 150.29 49.65 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.532 0.206 . . . . 15.88 110.596 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.443 ' HB2' HE22 ' B' ' 2' ' ' GLN . 86.5 tt0 -100.93 122.18 43.03 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 106.356 -1.72 . . . . 28.9 106.356 176.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.7 m -140.06 167.98 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 121.656 0.741 . . . . 12.05 111.873 -178.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -118.46 150.89 48.82 Favored Pre-proline 0 CA--C 1.533 0.302 0 N-CA-C 107.178 -1.415 . . . . 18.17 107.178 177.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -58.13 -24.28 65.69 Favored 'Trans proline' 0 C--N 1.317 -1.114 0 CA-C-N 120.923 1.365 . . . . 8.16 112.729 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 20.8 p -85.26 -1.74 57.29 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.329 -0.396 . . . . 11.13 112.068 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -70.48 143.29 51.77 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 107.982 -1.118 . . . . 18.03 107.982 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.405 ' OG1' ' OD1' ' B' ' 25' ' ' ASN . 71.9 p -86.33 157.21 19.95 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.251 -1.341 . . . . 10.22 109.903 178.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 35.1 mm -61.94 -39.8 84.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.688 -0.687 . . . . 12.3 109.279 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.94 -38.32 82.06 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 108.732 -0.84 . . . . 36.51 108.732 178.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.405 ' OD1' ' OG1' ' B' ' 22' ' ' THR . 7.4 m-20 -66.18 -40.03 90.17 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.177 -0.675 . . . . 25.66 109.177 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 79.4 t -62.91 -43.79 99.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.811 -0.44 . . . . 8.12 109.811 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -60.01 -40.03 87.84 Favored 'General case' 0 C--N 1.342 0.24 0 N-CA-C 109.208 -0.664 . . . . 15.47 109.208 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.45 -37.79 87.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.756 -0.656 . . . . 11.45 110.344 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -65.78 -39.0 90.55 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.718 -0.475 . . . . 24.98 109.718 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 45.0 mt -64.99 -39.96 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 N-CA-C 109.632 -0.507 . . . . 9.46 109.632 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -60.09 -44.13 95.03 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 109.337 -0.616 . . . . 14.76 109.337 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' B' ' 32' ' ' ASP . 53.8 t0 -60.37 -40.57 91.26 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.055 -0.975 . . . . 26.29 110.746 -178.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -81.74 -40.19 23.08 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.424 1.268 . . . . 30.06 114.424 -177.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 1.098 ' O ' ' HA ' ' A' ' 65' ' ' SER . 78.4 mm-40 -110.83 -14.92 13.91 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 116.31 1.967 . . . . 25.19 116.31 -174.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.566 ' HA3' ' OG ' ' A' ' 65' ' ' SER . . . 82.36 11.19 82.5 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 120.918 -0.658 . . . . 7.41 113.096 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 1.233 ' HA ' ' CZ ' ' A' ' 45' ' ' PHE . 16.5 mt -86.4 117.0 67.97 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 109.775 -0.454 . . . . 9.49 109.775 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 1.625 ' HD3' ' CE2' ' A' ' 45' ' ' PHE . 26.2 Cg_exo -58.86 134.77 62.43 Favored 'Trans proline' 0 N--CA 1.497 1.689 0 CA-C-N 120.431 1.19 . . . . 11.42 112.099 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -49.34 -31.34 22.57 Favored 'Trans proline' 0 N--CA 1.504 2.13 0 C-N-CA 122.609 2.206 . . . . 12.0 114.486 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -71.02 -16.33 62.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 118.587 0.63 . . . . 35.55 112.063 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 1.532 ' CG ' ' HG3' ' A' ' 48' ' ' LYS . 94.7 mt-30 -100.06 1.82 42.72 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 111.707 0.262 . . . . 20.52 111.707 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -107.96 139.45 42.56 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.913 1.079 . . . . 7.13 113.913 -178.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -126.19 123.91 39.27 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 114.777 -1.101 . . . . 36.39 108.176 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 90.6 mt -105.67 130.13 53.75 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.318 0.58 . . . . 9.55 110.94 -179.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -123.21 138.03 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 115.218 -0.901 . . . . 13.9 110.525 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -139.29 127.03 21.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.233 -0.894 . . . . 6.86 108.901 177.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.02 39.14 18.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.057 -0.519 . . . . 11.15 111.41 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.08 0.02 89.15 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-O 119.222 -0.765 . . . . 13.93 114.802 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -112.26 139.27 47.94 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 118.838 1.319 . . . . 23.92 111.728 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -79.37 128.99 34.03 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 107.564 -1.273 . . . . 23.23 107.564 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 46.8 mt -86.96 136.53 32.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.866 0.365 . . . . 9.11 111.586 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -91.12 149.9 21.61 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 121.26 0.552 . . . . 33.44 112.038 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -68.85 -20.0 64.27 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.562 0.949 . . . . 28.37 113.562 -177.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -94.05 3.47 70.13 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 121.122 -0.561 . . . . 15.0 113.057 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 68.7 mmt-85 -110.06 165.97 11.31 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 117.627 0.713 . . . . 25.5 111.293 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.3 p -107.63 167.33 10.03 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-O 121.512 0.673 . . . . 11.95 111.962 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.0 mt -59.89 -43.0 95.04 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 114.864 -1.062 . . . . 10.17 110.973 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 84.2 p -61.84 -30.3 70.75 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 119.635 -0.826 . . . . 13.59 111.928 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -62.13 -28.97 70.01 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.675 -0.41 . . . . 11.7 110.483 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -99.85 13.7 32.88 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.277 -0.42 . . . . 12.95 111.68 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 50.15 39.94 20.68 Favored 'General case' 0 C--O 1.231 0.116 0 N-CA-C 112.056 0.391 . . . . 25.45 112.056 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 91.1 mt -81.02 121.54 34.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 107.375 -1.343 . . . . 14.6 107.375 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -107.49 169.08 8.8 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.297 0.57 . . . . 33.23 112.048 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -51.07 141.18 14.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.122 -0.945 . . . . 25.97 111.657 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 66.79 23.34 10.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.767 -1.106 . . . . 32.61 112.936 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 36.9 m -76.87 148.69 36.33 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.99 -1.115 . . . . 10.56 107.99 176.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 94.2 m -112.83 124.02 51.63 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 109.57 -0.53 . . . . 5.33 109.57 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.41 ' N ' HD12 ' B' ' 67' ' ' LEU . 4.0 mp -105.15 157.4 17.29 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 107.628 -1.249 . . . . 11.66 107.628 177.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -112.21 134.08 53.96 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.207 -0.664 . . . . 16.3 109.207 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 26.7 tp -106.16 132.71 51.91 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.914 -0.773 . . . . 9.96 108.914 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -120.67 144.87 28.18 Favored 'Isoleucine or valine' 0 C--N 1.343 0.316 0 N-CA-C 107.638 -1.245 . . . . 9.76 107.638 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 41.4 mt -109.86 139.99 44.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.371 -0.831 . . . . 19.57 110.604 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 1.309 ' N ' ' HA2' ' A' ' 47' ' ' GLY . 36.6 ttt180 . . . . . 0 N--CA 1.464 0.262 0 CA-C-N 115.734 -0.666 . . . . 35.08 109.989 -179.931 . . . . . . . . 1 1 . 1 stop_ save_