data_1qqi_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 1qqi _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 109.9 -0.407 . . . . 0.73999999999999999 109.9 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -167.68 118.3 0.84 Allowed 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.441 -0.577 . . . . 0.62 109.441 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.8 p -160.12 107.79 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 108.882 -0.784 . . . . 0.62 108.882 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 50.18 -119.16 1.28 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 122.977 0.511 . . . . 0.70999999999999996 110.139 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.27 94.45 4.88 Favored 'General case' 0 C--N 1.344 0.338 0 N-CA-C 109.825 -0.435 . . . . 0.70999999999999996 109.825 -178.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 36.4 t -85.02 110.03 18.79 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 N-CA-C 108.366 -0.975 . . . . 0.62 108.366 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.2 mt -83.87 100.84 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 N-CA-C 109.668 -0.493 . . . . 0.62 109.668 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -96.58 99.76 11.37 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.123 -0.695 . . . . 0.70999999999999996 109.123 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.9 mtp -125.75 121.3 33.0 Favored 'General case' 0 C--N 1.34 0.168 0 N-CA-C 109.604 -0.517 . . . . 0.73999999999999999 109.604 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 60.55 28.79 18.47 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 122.791 0.437 . . . . 0.68000000000000005 110.473 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.56 -12.86 54.8 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.593 -1.003 . . . . 0.62 110.593 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.1 tp -80.65 96.09 6.77 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.687 -0.857 . . . . 0.62 108.687 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.2 m -83.79 107.21 16.06 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.304 -0.407 . . . . 0.62 110.171 -177.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.3 tt -98.93 134.88 41.16 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.385 -0.598 . . . . 0.62 109.385 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -120.18 101.41 47.11 Favored Pre-proline 0 CA--C 1.531 0.247 0 N-CA-C 108.288 -1.004 . . . . 0.70999999999999996 108.288 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -65.74 -21.21 58.74 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 122.716 2.277 . . . . 0.53000000000000003 111.355 -178.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.79 -57.16 5.43 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 122.179 0.192 . . . . 0.62 110.66 -178.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 m -94.85 5.2 52.58 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 119.302 -0.38 . . . . 0.62 111.438 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.414 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . 9.4 m-70 50.14 53.53 12.69 Favored 'General case' 0 C--N 1.347 0.498 0 N-CA-C 108.478 -0.934 . . . . 0.62 108.478 -177.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -126.23 146.66 49.9 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.431 -0.804 . . . . 0.76000000000000001 109.7 -176.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.3 t -131.41 134.4 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 N-CA-C 108.741 -0.837 . . . . 0.62 108.741 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 97.6 mtp -130.08 116.14 18.09 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.449 -0.575 . . . . 0.73999999999999999 109.449 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.69 78.32 5.15 Favored 'General case' 0 C--N 1.34 0.189 0 N-CA-C 108.424 -0.954 . . . . 0.62 108.424 178.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.45 -51.85 4.58 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 109.296 -1.521 . . . . 0.62 109.296 -178.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -155.84 -40.14 0.08 Allowed 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.729 -0.471 . . . . 0.70999999999999996 109.729 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -61.1 118.43 35.88 Favored Pre-proline 0 CA--C 1.537 0.467 0 C-N-CA 122.485 0.314 . . . . 0.70999999999999996 110.309 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -69.79 137.64 35.83 Favored 'Trans proline' 0 N--CA 1.449 -1.108 0 C-N-CA 122.503 2.136 . . . . 0.53000000000000003 110.135 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.4 mt -125.13 105.57 9.26 Favored 'General case' 0 C--N 1.341 0.207 0 N-CA-C 109.366 -0.605 . . . . 0.62 109.366 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -93.0 149.38 21.26 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 110.048 -0.353 . . . . 0.70999999999999996 110.048 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 12.9 ptt? -169.07 179.13 4.15 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.095 -0.706 . . . . 0.73999999999999999 109.095 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.46 162.43 52.02 Favored Glycine 0 CA--C 1.533 1.163 0 N-CA-C 111.067 -0.813 . . . . 0.62 111.067 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -61.79 -40.53 44.36 Favored 'Trans proline' 0 N--CA 1.449 -1.139 0 C-N-CA 122.909 2.406 . . . . 0.53000000000000003 110.505 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.5 m -61.04 -44.3 97.6 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.793 -0.447 . . . . 0.62 109.793 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -61.47 -41.68 97.62 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.318 -0.623 . . . . 0.70999999999999996 109.318 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.414 ' CZ ' ' HA ' ' A' ' 19' ' ' HIS . 67.7 t80 -62.22 -42.69 99.53 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.762 -0.459 . . . . 0.62 109.762 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -60.44 -50.41 73.7 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 109.887 -0.412 . . . . 0.62 109.887 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.4 mt -48.06 -53.17 17.31 Favored 'General case' 0 C--N 1.347 0.463 0 N-CA-C 109.853 -0.425 . . . . 0.62 109.853 176.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.1 tp -61.24 -48.0 83.46 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 122.246 0.218 . . . . 0.62 110.826 -177.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -58.59 -47.18 85.18 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.927 -0.397 . . . . 0.62 109.927 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -62.25 -41.86 98.81 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.749 -0.463 . . . . 0.62 109.749 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.433 ' HB3' ' CG ' ' A' ' 100' ' ' PHE . 6.0 m-85 -62.47 -38.3 89.29 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 110.092 -0.336 . . . . 0.62 110.092 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 40.5 mtt -68.43 -42.67 78.56 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 119.835 -0.126 . . . . 0.73999999999999999 110.756 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.1 p -71.85 -12.44 61.28 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 117.554 0.161 . . . . 0.62 110.585 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -139.42 71.02 39.07 Favored Pre-proline 0 CA--C 1.536 0.423 0 N-CA-C 109.492 -0.558 . . . . 0.62 109.492 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -73.48 155.69 50.31 Favored 'Trans proline' 0 N--CA 1.449 -1.103 0 C-N-CA 122.8 2.333 . . . . 0.53000000000000003 110.882 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 43.08 65.49 0.95 Allowed 'General case' 0 C--N 1.345 0.386 0 C-N-CA 123.216 0.606 . . . . 0.70999999999999996 110.989 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -153.14 123.03 6.9 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 108.743 -0.836 . . . . 0.76000000000000001 108.743 178.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.3 t -70.63 126.27 30.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 N-CA-C 109.232 -0.655 . . . . 0.62 109.232 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -125.29 128.45 48.27 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.579 -0.526 . . . . 0.62 109.579 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 79.4 p -83.13 167.73 17.52 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.462 -0.57 . . . . 0.62 109.462 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -56.58 -46.74 80.64 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.0 -0.741 . . . . 0.76000000000000001 109.0 178.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -53.12 -43.4 66.86 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.11 0.564 . . . . 0.70999999999999996 111.037 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -64.89 -52.01 58.82 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.443 -0.577 . . . . 0.68000000000000005 109.443 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.6 mt -56.1 -45.85 79.3 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.626 -0.509 . . . . 0.62 109.626 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 80.5 mt -58.88 -41.2 86.55 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 110.187 -0.301 . . . . 0.62 110.187 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -77.1 -4.56 45.0 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 111.681 0.252 . . . . 0.68000000000000005 111.681 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -117.73 -70.21 0.81 Allowed 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 117.784 0.265 . . . . 0.62 110.581 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.87 -53.68 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 C-N-CA 122.719 0.408 . . . . 0.62 110.715 -177.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 12.8 m-90 -76.08 -25.16 55.24 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.448 -0.575 . . . . 0.62 109.448 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 57.95 32.79 67.06 Favored Glycine 0 C--N 1.344 0.991 0 N-CA-C 110.313 -1.115 . . . . 0.62 110.313 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.4 p 43.56 37.98 1.7 Allowed 'General case' 0 C--N 1.347 0.487 0 C-N-CA 123.287 0.635 . . . . 0.62 110.759 -178.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -66.29 -36.95 84.27 Favored 'General case' 0 C--N 1.343 0.311 0 N-CA-C 109.225 -0.658 . . . . 0.68000000000000005 109.225 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -137.16 144.83 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 108.485 -0.931 . . . . 0.62 108.485 178.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -78.68 72.49 5.21 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 109.735 -0.469 . . . . 0.62 109.735 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.3 m -82.14 159.86 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 109.698 -0.482 . . . . 0.62 109.698 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -74.03 157.43 36.14 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 110.049 -0.352 . . . . 0.70999999999999996 110.049 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.78 -35.72 71.17 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 109.14 -0.689 . . . . 0.70999999999999996 109.14 176.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.7 ttp-105 -55.18 -36.4 65.84 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.376 0.67 . . . . 0.76000000000000001 110.727 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.3 m -56.44 -33.73 66.15 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 110.417 -0.216 . . . . 0.62 110.417 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.2 t -62.95 -47.62 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 108.97 -0.752 . . . . 0.62 108.97 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -59.98 -37.57 80.02 Favored 'General case' 0 C--N 1.341 0.211 0 N-CA-C 110.04 -0.355 . . . . 0.70999999999999996 110.04 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 42.0 t -60.07 -54.74 30.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 N-CA-C 110.076 -0.342 . . . . 0.62 110.076 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -66.62 -34.98 79.08 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 110.493 -0.188 . . . . 0.62 110.493 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.43 -41.89 93.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 N-CA-C 108.73 -0.841 . . . . 0.62 108.73 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.9 ttt85 -62.45 -41.23 98.6 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.426 -0.583 . . . . 0.76000000000000001 109.426 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -61.34 -48.53 80.9 Favored 'General case' 0 C--N 1.341 0.228 0 N-CA-C 109.456 -0.572 . . . . 0.76000000000000001 109.456 178.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.2 tp -58.02 -51.14 70.89 Favored 'General case' 0 C--N 1.341 0.221 0 N-CA-C 109.798 -0.445 . . . . 0.62 109.798 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -58.47 -45.63 88.25 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.988 -0.375 . . . . 0.76000000000000001 109.988 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.0 tttp -61.69 -36.19 80.17 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 110.037 -0.357 . . . . 0.62 110.037 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.56 -24.66 66.39 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 109.963 -0.384 . . . . 0.62 109.963 178.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 48.9 mt -97.31 -2.54 42.29 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 122.574 0.35 . . . . 0.62 110.308 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.428 ' N ' ' CD ' ' A' ' 83' ' ' PRO . 50.2 tt0 -59.66 -44.19 96.94 Favored Pre-proline 0 CA--C 1.545 0.778 0 CA-C-O 118.54 -0.743 . . . . 0.70999999999999996 112.158 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.428 ' CD ' ' N ' ' A' ' 82' ' ' GLU . 2.9 Cg_exo -58.18 -47.28 20.68 Favored 'Trans proline' 0 C--N 1.366 1.461 0 C-N-CA 121.538 1.492 . . . . 0.53000000000000003 110.748 -178.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.46 -10.38 86.28 Favored Glycine 0 CA--C 1.532 1.153 0 N-CA-C 110.797 -0.921 . . . . 0.62 110.797 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 69.13 18.29 72.82 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.566 -1.014 . . . . 0.62 110.566 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -84.02 -8.19 59.2 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 122.535 0.334 . . . . 0.62 110.433 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -53.65 -30.08 41.39 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 122.479 0.311 . . . . 0.70999999999999996 111.093 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 35.1 mtt85 -58.6 -31.49 68.1 Favored 'General case' 0 C--N 1.342 0.277 0 C-N-CA 122.568 0.347 . . . . 0.76000000000000001 110.969 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 33.3 mtp -59.39 -42.97 92.95 Favored 'General case' 0 C--N 1.34 0.186 0 N-CA-C 109.414 -0.587 . . . . 0.73999999999999999 109.414 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.8 t -79.66 90.26 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 107.669 -1.234 . . . . 0.62 107.669 177.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -79.64 131.18 35.91 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.893 -0.41 . . . . 0.68000000000000005 109.893 -177.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 37.9 m -94.88 98.49 10.76 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.404 -0.961 . . . . 0.62 108.404 177.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 20.3 t -77.87 75.42 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 108.934 -0.765 . . . . 0.62 108.934 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 50.54 -137.4 1.12 Allowed 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.006 -0.739 . . . . 0.76000000000000001 109.006 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -103.11 20.98 41.38 Favored Glycine 0 CA--C 1.528 0.871 0 N-CA-C 109.542 -1.423 . . . . 0.62 109.542 177.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 62.2 m -91.3 -52.44 4.8 Favored 'General case' 0 C--N 1.344 0.357 0 N-CA-C 109.914 -0.402 . . . . 0.62 109.914 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -171.08 -156.73 11.93 Favored Glycine 0 C--N 1.338 0.675 0 N-CA-C 111.052 -0.819 . . . . 0.62 111.052 -178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -144.32 178.47 7.89 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.937 -0.764 . . . . 0.62 108.937 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -167.47 146.81 5.05 Favored 'General case' 0 C--O 1.226 -0.157 0 N-CA-C 109.996 -0.372 . . . . 0.76000000000000001 109.996 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.433 ' CG ' ' HB3' ' A' ' 41' ' ' PHE . 10.4 t80 -102.9 90.99 3.95 Favored 'General case' 0 C--N 1.341 0.221 0 N-CA-C 109.036 -0.727 . . . . 0.62 109.036 178.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.6 t -94.7 93.4 7.52 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.631 -0.507 . . . . 0.62 109.631 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.3 p -73.74 -63.18 1.26 Allowed 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.264 -0.643 . . . . 0.62 109.264 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -169.8 -53.39 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.002 -0.74 . . . . 0.76000000000000001 109.002 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.2 t80 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 116.769 -1.586 . . . . 0.52000000000000002 109.993 179.777 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 109.9 -0.407 . . . . 0.74 109.9 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -167.68 118.3 0.84 Allowed 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.441 -0.577 . . . . 0.62 109.441 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.8 p -160.12 107.79 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 108.882 -0.784 . . . . 0.62 108.882 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 50.18 -119.16 1.28 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 122.977 0.511 . . . . 0.71 110.139 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.27 94.45 4.88 Favored 'General case' 0 C--N 1.344 0.338 0 N-CA-C 109.825 -0.435 . . . . 0.71 109.825 -178.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 36.4 t -85.02 110.03 18.79 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 N-CA-C 108.366 -0.975 . . . . 0.62 108.366 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.2 mt -83.87 100.84 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 N-CA-C 109.668 -0.493 . . . . 0.62 109.668 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -96.58 99.76 11.37 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.123 -0.695 . . . . 0.71 109.123 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.9 mtp -125.75 121.3 33.0 Favored 'General case' 0 C--N 1.34 0.168 0 N-CA-C 109.604 -0.517 . . . . 0.74 109.604 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 60.55 28.79 18.47 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 122.791 0.437 . . . . 0.68 110.473 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.56 -12.86 54.8 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.593 -1.003 . . . . 0.62 110.593 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 12' ' ' LEU . 15.1 tp -80.65 96.09 6.77 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.687 -0.857 . . . . 0.62 108.687 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.2 m -83.79 107.21 16.06 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.304 -0.407 . . . . 0.62 110.171 -177.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.3 tt -98.93 134.88 41.16 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.385 -0.598 . . . . 0.62 109.385 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -120.18 101.41 47.11 Favored Pre-proline 0 CA--C 1.531 0.247 0 N-CA-C 108.288 -1.004 . . . . 0.71 108.288 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -65.74 -21.21 58.74 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 122.716 2.277 . . . . 0.53 111.355 -178.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.79 -57.16 5.43 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 122.179 0.192 . . . . 0.62 110.66 -178.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 m -94.85 5.2 52.58 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 119.302 -0.38 . . . . 0.62 111.438 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . 9.4 m-70 50.14 53.53 12.69 Favored 'General case' 0 C--N 1.347 0.498 0 N-CA-C 108.478 -0.934 . . . . 0.62 108.478 -177.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -126.23 146.66 49.9 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.431 -0.804 . . . . 0.76 109.7 -176.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.3 t -131.41 134.4 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 N-CA-C 108.741 -0.837 . . . . 0.62 108.741 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 97.6 mtp -130.08 116.14 18.09 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.449 -0.575 . . . . 0.74 109.449 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.41 ' HB2' HD11 ' A' ' 28' ' ' LEU . . . -78.69 78.32 5.15 Favored 'General case' 0 C--N 1.34 0.189 0 N-CA-C 108.424 -0.954 . . . . 0.62 108.424 178.207 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.45 -51.85 4.58 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 109.296 -1.521 . . . . 0.62 109.296 -178.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -155.84 -40.14 0.08 Allowed 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.729 -0.471 . . . . 0.71 109.729 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -61.1 118.43 35.88 Favored Pre-proline 0 CA--C 1.537 0.467 0 C-N-CA 122.485 0.314 . . . . 0.71 110.309 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -69.79 137.64 35.83 Favored 'Trans proline' 0 N--CA 1.449 -1.108 0 C-N-CA 122.503 2.136 . . . . 0.53 110.135 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.41 HD11 ' HB2' ' A' ' 23' ' ' ALA . 94.4 mt -125.13 105.57 9.26 Favored 'General case' 0 C--N 1.341 0.207 0 N-CA-C 109.366 -0.605 . . . . 0.62 109.366 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -93.0 149.38 21.26 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 110.048 -0.353 . . . . 0.71 110.048 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 12.9 ptt? -169.07 179.13 4.15 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.095 -0.706 . . . . 0.74 109.095 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.46 162.43 52.02 Favored Glycine 0 CA--C 1.533 1.163 0 N-CA-C 111.067 -0.813 . . . . 0.62 111.067 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -61.79 -40.53 44.36 Favored 'Trans proline' 0 N--CA 1.449 -1.139 0 C-N-CA 122.909 2.406 . . . . 0.53 110.505 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.5 m -61.04 -44.3 97.6 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.793 -0.447 . . . . 0.62 109.793 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -61.47 -41.68 97.62 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.318 -0.623 . . . . 0.71 109.318 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.421 ' CZ ' ' HA ' ' A' ' 19' ' ' HIS . 67.7 t80 -62.22 -42.69 99.53 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.762 -0.459 . . . . 0.62 109.762 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.661 ' CB ' HG13 ' A' ' 58' ' ' VAL . 89.4 mttt -60.44 -50.41 73.7 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 109.887 -0.412 . . . . 0.62 109.887 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.4 mt -48.06 -53.17 17.31 Favored 'General case' 0 C--N 1.347 0.463 0 N-CA-C 109.853 -0.425 . . . . 0.62 109.853 176.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.1 tp -61.24 -48.0 83.46 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 122.246 0.218 . . . . 0.62 110.826 -177.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -58.59 -47.18 85.18 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.927 -0.397 . . . . 0.62 109.927 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -62.25 -41.86 98.81 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.749 -0.463 . . . . 0.62 109.749 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.442 ' HB3' ' CG ' ' A' ' 100' ' ' PHE . 6.0 m-85 -62.47 -38.3 89.29 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 110.092 -0.336 . . . . 0.62 110.092 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 40.5 mtt -68.43 -42.67 78.56 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 119.835 -0.126 . . . . 0.74 110.756 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.1 p -71.85 -12.44 61.28 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 117.554 0.161 . . . . 0.62 110.585 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -139.42 71.02 39.07 Favored Pre-proline 0 CA--C 1.536 0.423 0 N-CA-C 109.492 -0.558 . . . . 0.62 109.492 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -73.48 155.69 50.31 Favored 'Trans proline' 0 N--CA 1.449 -1.103 0 C-N-CA 122.8 2.333 . . . . 0.53 110.882 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 43.08 65.49 0.95 Allowed 'General case' 0 C--N 1.345 0.386 0 C-N-CA 123.216 0.606 . . . . 0.71 110.989 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -153.14 123.03 6.9 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 108.743 -0.836 . . . . 0.76 108.743 178.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.3 t -70.63 126.27 30.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 N-CA-C 109.232 -0.655 . . . . 0.62 109.232 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -125.29 128.45 48.27 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.579 -0.526 . . . . 0.62 109.579 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 79.4 p -83.13 167.73 17.52 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.462 -0.57 . . . . 0.62 109.462 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -56.58 -46.74 80.64 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.0 -0.741 . . . . 0.76 109.0 178.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -53.12 -43.4 66.86 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.11 0.564 . . . . 0.71 111.037 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -64.89 -52.01 58.82 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.443 -0.577 . . . . 0.68 109.443 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.6 mt -56.1 -45.85 79.3 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.626 -0.509 . . . . 0.62 109.626 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 80.5 mt -58.88 -41.2 86.55 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 110.187 -0.301 . . . . 0.62 110.187 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -77.1 -4.56 45.0 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 111.681 0.252 . . . . 0.68 111.681 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -117.73 -70.21 0.81 Allowed 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 117.784 0.265 . . . . 0.62 110.581 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.661 HG13 ' CB ' ' A' ' 36' ' ' LYS . 53.1 t -64.87 -53.68 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 C-N-CA 122.719 0.408 . . . . 0.62 110.715 -177.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 12.8 m-90 -76.08 -25.16 55.24 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.448 -0.575 . . . . 0.62 109.448 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 57.95 32.79 67.06 Favored Glycine 0 C--N 1.344 0.991 0 N-CA-C 110.313 -1.115 . . . . 0.62 110.313 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.4 p 43.56 37.98 1.7 Allowed 'General case' 0 C--N 1.347 0.487 0 C-N-CA 123.287 0.635 . . . . 0.62 110.759 -178.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -66.29 -36.95 84.27 Favored 'General case' 0 C--N 1.343 0.311 0 N-CA-C 109.225 -0.658 . . . . 0.68 109.225 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -137.16 144.83 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 108.485 -0.931 . . . . 0.62 108.485 178.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -78.68 72.49 5.21 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 109.735 -0.469 . . . . 0.62 109.735 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.3 m -82.14 159.86 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 109.698 -0.482 . . . . 0.62 109.698 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -74.03 157.43 36.14 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 110.049 -0.352 . . . . 0.71 110.049 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.78 -35.72 71.17 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 109.14 -0.689 . . . . 0.71 109.14 176.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.7 ttp-105 -55.18 -36.4 65.84 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.376 0.67 . . . . 0.76 110.727 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.3 m -56.44 -33.73 66.15 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 110.417 -0.216 . . . . 0.62 110.417 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.2 t -62.95 -47.62 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 108.97 -0.752 . . . . 0.62 108.97 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -59.98 -37.57 80.02 Favored 'General case' 0 C--N 1.341 0.211 0 N-CA-C 110.04 -0.355 . . . . 0.71 110.04 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 42.0 t -60.07 -54.74 30.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 N-CA-C 110.076 -0.342 . . . . 0.62 110.076 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -66.62 -34.98 79.08 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 110.493 -0.188 . . . . 0.62 110.493 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.43 -41.89 93.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 N-CA-C 108.73 -0.841 . . . . 0.62 108.73 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.9 ttt85 -62.45 -41.23 98.6 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.426 -0.583 . . . . 0.76 109.426 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -61.34 -48.53 80.9 Favored 'General case' 0 C--N 1.341 0.228 0 N-CA-C 109.456 -0.572 . . . . 0.76 109.456 178.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.2 tp -58.02 -51.14 70.89 Favored 'General case' 0 C--N 1.341 0.221 0 N-CA-C 109.798 -0.445 . . . . 0.62 109.798 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -58.47 -45.63 88.25 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.988 -0.375 . . . . 0.76 109.988 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.0 tttp -61.69 -36.19 80.17 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 110.037 -0.357 . . . . 0.62 110.037 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.56 -24.66 66.39 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 109.963 -0.384 . . . . 0.62 109.963 178.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 48.9 mt -97.31 -2.54 42.29 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 122.574 0.35 . . . . 0.62 110.308 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.428 ' N ' ' CD ' ' A' ' 83' ' ' PRO . 50.2 tt0 -59.66 -44.19 96.94 Favored Pre-proline 0 CA--C 1.545 0.778 0 CA-C-O 118.54 -0.743 . . . . 0.71 112.158 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.428 ' CD ' ' N ' ' A' ' 82' ' ' GLU . 2.9 Cg_exo -58.18 -47.28 20.68 Favored 'Trans proline' 0 C--N 1.366 1.461 0 C-N-CA 121.538 1.492 . . . . 0.53 110.748 -178.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.46 -10.38 86.28 Favored Glycine 0 CA--C 1.532 1.153 0 N-CA-C 110.797 -0.921 . . . . 0.62 110.797 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 69.13 18.29 72.82 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.566 -1.014 . . . . 0.62 110.566 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -84.02 -8.19 59.2 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 122.535 0.334 . . . . 0.62 110.433 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -53.65 -30.08 41.39 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 122.479 0.311 . . . . 0.71 111.093 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 35.1 mtt85 -58.6 -31.49 68.1 Favored 'General case' 0 C--N 1.342 0.277 0 C-N-CA 122.568 0.347 . . . . 0.76 110.969 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 33.3 mtp -59.39 -42.97 92.95 Favored 'General case' 0 C--N 1.34 0.186 0 N-CA-C 109.414 -0.587 . . . . 0.74 109.414 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.8 t -79.66 90.26 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 107.669 -1.234 . . . . 0.62 107.669 177.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -79.64 131.18 35.91 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.893 -0.41 . . . . 0.68 109.893 -177.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 37.9 m -94.88 98.49 10.76 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.404 -0.961 . . . . 0.62 108.404 177.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 20.3 t -77.87 75.42 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 108.934 -0.765 . . . . 0.62 108.934 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 50.54 -137.4 1.12 Allowed 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.006 -0.739 . . . . 0.76 109.006 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -103.11 20.98 41.38 Favored Glycine 0 CA--C 1.528 0.871 0 N-CA-C 109.542 -1.423 . . . . 0.62 109.542 177.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 62.2 m -91.3 -52.44 4.8 Favored 'General case' 0 C--N 1.344 0.357 0 N-CA-C 109.914 -0.402 . . . . 0.62 109.914 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -171.08 -156.73 11.93 Favored Glycine 0 C--N 1.338 0.675 0 N-CA-C 111.052 -0.819 . . . . 0.62 111.052 -178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -144.32 178.47 7.89 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.937 -0.764 . . . . 0.62 108.937 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -167.47 146.81 5.05 Favored 'General case' 0 C--O 1.226 -0.157 0 N-CA-C 109.996 -0.372 . . . . 0.76 109.996 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.442 ' CG ' ' HB3' ' A' ' 41' ' ' PHE . 10.4 t80 -102.9 90.99 3.95 Favored 'General case' 0 C--N 1.341 0.221 0 N-CA-C 109.036 -0.727 . . . . 0.62 109.036 178.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.6 t -94.7 93.4 7.52 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.631 -0.507 . . . . 0.62 109.631 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.3 p -73.74 -63.18 1.26 Allowed 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.264 -0.643 . . . . 0.62 109.264 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -169.8 -53.39 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.002 -0.74 . . . . 0.76 109.002 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.2 t80 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 116.769 -1.586 . . . . 0.52 109.993 179.777 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 109.9 -0.407 . . . . 0.74 109.9 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -167.68 118.3 0.84 Allowed 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.441 -0.577 . . . . 0.62 109.441 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.8 p -160.12 107.79 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 108.882 -0.784 . . . . 0.62 108.882 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 50.18 -119.16 1.28 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 122.977 0.511 . . . . 0.71 110.139 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.27 94.45 4.88 Favored 'General case' 0 C--N 1.344 0.338 0 N-CA-C 109.825 -0.435 . . . . 0.71 109.825 -178.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 36.4 t -85.02 110.03 18.79 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 N-CA-C 108.366 -0.975 . . . . 0.62 108.366 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.2 mt -83.87 100.84 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 N-CA-C 109.668 -0.493 . . . . 0.62 109.668 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -96.58 99.76 11.37 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.123 -0.695 . . . . 0.71 109.123 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.9 mtp -125.75 121.3 33.0 Favored 'General case' 0 C--N 1.34 0.168 0 N-CA-C 109.604 -0.517 . . . . 0.74 109.604 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 60.55 28.79 18.47 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 122.791 0.437 . . . . 0.68 110.473 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.56 -12.86 54.8 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.593 -1.003 . . . . 0.62 110.593 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 12' ' ' LEU . 15.1 tp -80.65 96.09 6.77 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.687 -0.857 . . . . 0.62 108.687 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.2 m -83.79 107.21 16.06 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.304 -0.407 . . . . 0.62 110.171 -177.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.3 tt -98.93 134.88 41.16 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.385 -0.598 . . . . 0.62 109.385 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -120.18 101.41 47.11 Favored Pre-proline 0 CA--C 1.531 0.247 0 N-CA-C 108.288 -1.004 . . . . 0.71 108.288 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -65.74 -21.21 58.74 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 122.716 2.277 . . . . 0.53 111.355 -178.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.79 -57.16 5.43 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 122.179 0.192 . . . . 0.62 110.66 -178.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 m -94.85 5.2 52.58 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 119.302 -0.38 . . . . 0.62 111.438 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . 9.4 m-70 50.14 53.53 12.69 Favored 'General case' 0 C--N 1.347 0.498 0 N-CA-C 108.478 -0.934 . . . . 0.62 108.478 -177.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -126.23 146.66 49.9 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.431 -0.804 . . . . 0.76 109.7 -176.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.3 t -131.41 134.4 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 N-CA-C 108.741 -0.837 . . . . 0.62 108.741 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 97.6 mtp -130.08 116.14 18.09 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.449 -0.575 . . . . 0.74 109.449 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.41 ' HB2' HD11 ' A' ' 28' ' ' LEU . . . -78.69 78.32 5.15 Favored 'General case' 0 C--N 1.34 0.189 0 N-CA-C 108.424 -0.954 . . . . 0.62 108.424 178.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.45 -51.85 4.58 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 109.296 -1.521 . . . . 0.62 109.296 -178.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -155.84 -40.14 0.08 Allowed 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.729 -0.471 . . . . 0.71 109.729 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -61.1 118.43 35.88 Favored Pre-proline 0 CA--C 1.537 0.467 0 C-N-CA 122.485 0.314 . . . . 0.71 110.309 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -69.79 137.64 35.83 Favored 'Trans proline' 0 N--CA 1.449 -1.108 0 C-N-CA 122.503 2.136 . . . . 0.53 110.135 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.41 HD11 ' HB2' ' A' ' 23' ' ' ALA . 94.4 mt -125.13 105.57 9.26 Favored 'General case' 0 C--N 1.341 0.207 0 N-CA-C 109.366 -0.605 . . . . 0.62 109.366 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -93.0 149.38 21.26 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 110.048 -0.353 . . . . 0.71 110.048 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 12.9 ptt? -169.07 179.13 4.15 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.095 -0.706 . . . . 0.74 109.095 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.46 162.43 52.02 Favored Glycine 0 CA--C 1.533 1.163 0 N-CA-C 111.067 -0.813 . . . . 0.62 111.067 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -61.79 -40.53 44.36 Favored 'Trans proline' 0 N--CA 1.449 -1.139 0 C-N-CA 122.909 2.406 . . . . 0.53 110.505 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.5 m -61.04 -44.3 97.6 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.793 -0.447 . . . . 0.62 109.793 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -61.47 -41.68 97.62 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.318 -0.623 . . . . 0.71 109.318 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.421 ' CZ ' ' HA ' ' A' ' 19' ' ' HIS . 67.7 t80 -62.22 -42.69 99.53 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.762 -0.459 . . . . 0.62 109.762 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.661 ' CB ' HG13 ' A' ' 58' ' ' VAL . 89.4 mttt -60.44 -50.41 73.7 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 109.887 -0.412 . . . . 0.62 109.887 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.4 mt -48.06 -53.17 17.31 Favored 'General case' 0 C--N 1.347 0.463 0 N-CA-C 109.853 -0.425 . . . . 0.62 109.853 176.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.1 tp -61.24 -48.0 83.46 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 122.246 0.218 . . . . 0.62 110.826 -177.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -58.59 -47.18 85.18 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.927 -0.397 . . . . 0.62 109.927 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -62.25 -41.86 98.81 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.749 -0.463 . . . . 0.62 109.749 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.442 ' HB3' ' CG ' ' A' ' 100' ' ' PHE . 6.0 m-85 -62.47 -38.3 89.29 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 110.092 -0.336 . . . . 0.62 110.092 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 40.5 mtt -68.43 -42.67 78.56 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 119.835 -0.126 . . . . 0.74 110.756 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.1 p -71.85 -12.44 61.28 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 117.554 0.161 . . . . 0.62 110.585 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -139.42 71.02 39.07 Favored Pre-proline 0 CA--C 1.536 0.423 0 N-CA-C 109.492 -0.558 . . . . 0.62 109.492 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -73.48 155.69 50.31 Favored 'Trans proline' 0 N--CA 1.449 -1.103 0 C-N-CA 122.8 2.333 . . . . 0.53 110.882 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 43.08 65.49 0.95 Allowed 'General case' 0 C--N 1.345 0.386 0 C-N-CA 123.216 0.606 . . . . 0.71 110.989 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -153.14 123.03 6.9 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 108.743 -0.836 . . . . 0.76 108.743 178.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.3 t -70.63 126.27 30.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 N-CA-C 109.232 -0.655 . . . . 0.62 109.232 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -125.29 128.45 48.27 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.579 -0.526 . . . . 0.62 109.579 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 79.4 p -83.13 167.73 17.52 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.462 -0.57 . . . . 0.62 109.462 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -56.58 -46.74 80.64 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.0 -0.741 . . . . 0.76 109.0 178.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -53.12 -43.4 66.86 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.11 0.564 . . . . 0.71 111.037 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -64.89 -52.01 58.82 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.443 -0.577 . . . . 0.68 109.443 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.6 mt -56.1 -45.85 79.3 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.626 -0.509 . . . . 0.62 109.626 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 80.5 mt -58.88 -41.2 86.55 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 110.187 -0.301 . . . . 0.62 110.187 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -77.1 -4.56 45.0 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 111.681 0.252 . . . . 0.68 111.681 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -117.73 -70.21 0.81 Allowed 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 117.784 0.265 . . . . 0.62 110.581 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.661 HG13 ' CB ' ' A' ' 36' ' ' LYS . 53.1 t -64.87 -53.68 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 C-N-CA 122.719 0.408 . . . . 0.62 110.715 -177.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 12.8 m-90 -76.08 -25.16 55.24 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.448 -0.575 . . . . 0.62 109.448 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 57.95 32.79 67.06 Favored Glycine 0 C--N 1.344 0.991 0 N-CA-C 110.313 -1.115 . . . . 0.62 110.313 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.4 p 43.56 37.98 1.7 Allowed 'General case' 0 C--N 1.347 0.487 0 C-N-CA 123.287 0.635 . . . . 0.62 110.759 -178.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -66.29 -36.95 84.27 Favored 'General case' 0 C--N 1.343 0.311 0 N-CA-C 109.225 -0.658 . . . . 0.68 109.225 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -137.16 144.83 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 108.485 -0.931 . . . . 0.62 108.485 178.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -78.68 72.49 5.21 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 109.735 -0.469 . . . . 0.62 109.735 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.3 m -82.14 159.86 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 109.698 -0.482 . . . . 0.62 109.698 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -74.03 157.43 36.14 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 110.049 -0.352 . . . . 0.71 110.049 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.78 -35.72 71.17 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 109.14 -0.689 . . . . 0.71 109.14 176.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.7 ttp-105 -55.18 -36.4 65.84 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.376 0.67 . . . . 0.76 110.727 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.3 m -56.44 -33.73 66.15 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 110.417 -0.216 . . . . 0.62 110.417 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.2 t -62.95 -47.62 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 108.97 -0.752 . . . . 0.62 108.97 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -59.98 -37.57 80.02 Favored 'General case' 0 C--N 1.341 0.211 0 N-CA-C 110.04 -0.355 . . . . 0.71 110.04 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 42.0 t -60.07 -54.74 30.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 N-CA-C 110.076 -0.342 . . . . 0.62 110.076 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -66.62 -34.98 79.08 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 110.493 -0.188 . . . . 0.62 110.493 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.43 -41.89 93.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 N-CA-C 108.73 -0.841 . . . . 0.62 108.73 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.9 ttt85 -62.45 -41.23 98.6 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.426 -0.583 . . . . 0.76 109.426 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -61.34 -48.53 80.9 Favored 'General case' 0 C--N 1.341 0.228 0 N-CA-C 109.456 -0.572 . . . . 0.76 109.456 178.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.2 tp -58.02 -51.14 70.89 Favored 'General case' 0 C--N 1.341 0.221 0 N-CA-C 109.798 -0.445 . . . . 0.62 109.798 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -58.47 -45.63 88.25 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.988 -0.375 . . . . 0.76 109.988 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.0 tttp -61.69 -36.19 80.17 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 110.037 -0.357 . . . . 0.62 110.037 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.56 -24.66 66.39 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 109.963 -0.384 . . . . 0.62 109.963 178.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 48.9 mt -97.31 -2.54 42.29 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 122.574 0.35 . . . . 0.62 110.308 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.428 ' N ' ' CD ' ' A' ' 83' ' ' PRO . 50.2 tt0 -59.66 -44.19 96.94 Favored Pre-proline 0 CA--C 1.545 0.778 0 CA-C-O 118.54 -0.743 . . . . 0.71 112.158 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.428 ' CD ' ' N ' ' A' ' 82' ' ' GLU . 2.9 Cg_exo -58.18 -47.28 20.68 Favored 'Trans proline' 0 C--N 1.366 1.461 0 C-N-CA 121.538 1.492 . . . . 0.53 110.748 -178.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.46 -10.38 86.28 Favored Glycine 0 CA--C 1.532 1.153 0 N-CA-C 110.797 -0.921 . . . . 0.62 110.797 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 69.13 18.29 72.82 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.566 -1.014 . . . . 0.62 110.566 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -84.02 -8.19 59.2 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 122.535 0.334 . . . . 0.62 110.433 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -53.65 -30.08 41.39 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 122.479 0.311 . . . . 0.71 111.093 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 35.1 mtt85 -58.6 -31.49 68.1 Favored 'General case' 0 C--N 1.342 0.277 0 C-N-CA 122.568 0.347 . . . . 0.76 110.969 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 33.3 mtp -59.39 -42.97 92.95 Favored 'General case' 0 C--N 1.34 0.186 0 N-CA-C 109.414 -0.587 . . . . 0.74 109.414 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.8 t -79.66 90.26 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 107.669 -1.234 . . . . 0.62 107.669 177.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -79.64 131.18 35.91 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.893 -0.41 . . . . 0.68 109.893 -177.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 37.9 m -94.88 98.49 10.76 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.404 -0.961 . . . . 0.62 108.404 177.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 20.3 t -77.87 75.42 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 108.934 -0.765 . . . . 0.62 108.934 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 50.54 -137.4 1.12 Allowed 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.006 -0.739 . . . . 0.76 109.006 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -103.11 20.98 41.38 Favored Glycine 0 CA--C 1.528 0.871 0 N-CA-C 109.542 -1.423 . . . . 0.62 109.542 177.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 62.2 m -91.3 -52.44 4.8 Favored 'General case' 0 C--N 1.344 0.357 0 N-CA-C 109.914 -0.402 . . . . 0.62 109.914 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -171.08 -156.73 11.93 Favored Glycine 0 C--N 1.338 0.675 0 N-CA-C 111.052 -0.819 . . . . 0.62 111.052 -178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -144.32 178.47 7.89 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.937 -0.764 . . . . 0.62 108.937 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -167.47 146.81 5.05 Favored 'General case' 0 C--O 1.226 -0.157 0 N-CA-C 109.996 -0.372 . . . . 0.76 109.996 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.442 ' CG ' ' HB3' ' A' ' 41' ' ' PHE . 10.4 t80 -102.9 90.99 3.95 Favored 'General case' 0 C--N 1.341 0.221 0 N-CA-C 109.036 -0.727 . . . . 0.62 109.036 178.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.6 t -94.7 93.4 7.52 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.631 -0.507 . . . . 0.62 109.631 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.3 p -73.74 -63.18 1.26 Allowed 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.264 -0.643 . . . . 0.62 109.264 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -169.8 -53.39 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.002 -0.74 . . . . 0.76 109.002 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.2 t80 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 116.769 -1.586 . . . . 0.52 109.993 179.777 . . . . . . . . 0 0 . 1 stop_ save_