data_1trw_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 1trw _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 . . . . . . . . . . . . . 15.9 mtt . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.341 -0.614 . . . . 3.3799999999999999 109.341 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.0 t -136.25 173.38 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 N-CA-C 108.785 -0.821 . . . . 1.1000000000000001 108.785 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -147.85 125.29 11.65 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.141 -0.974 . . . . 2.5 109.281 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -81.55 124.51 29.56 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.363 -0.836 . . . . 1.6100000000000001 109.047 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.4 mm -90.19 123.24 42.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.238 -0.914 . . . . 1.04 108.927 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -92.0 -28.25 17.32 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.205 -0.934 . . . . 1.97 109.662 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.522 ' HG ' ' H ' ' A' ' 9' ' ' THR . 30.4 p -159.18 -164.41 1.39 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.175 -0.953 . . . . 0.92000000000000004 109.748 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.431 ' N ' ' OD2' ' A' ' 64' ' ' ASP . 74.9 tttt -79.81 -24.24 41.52 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.168 -0.958 . . . . 2.48 109.496 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.522 ' H ' ' HG ' ' A' ' 7' ' ' SER . 17.3 m -58.92 -52.53 65.35 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.173 -0.954 . . . . 1.05 109.435 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.59 -30.97 70.71 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.269 -0.894 . . . . 1.0600000000000001 109.682 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -59.45 -46.48 88.63 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.181 -0.95 . . . . 0.25 109.538 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -65.15 -53.61 42.36 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.256 -0.902 . . . . 3.0699999999999998 109.93 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -58.55 -25.86 62.95 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.192 -0.943 . . . . 2.1000000000000001 109.618 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.99 -46.26 71.84 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.973 -1.08 . . . . 1.04 108.693 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.2 mt -66.13 -25.23 66.89 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.38 -0.825 . . . . 1.27 108.792 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -71.73 -44.73 63.63 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.395 -0.816 . . . . 1.0900000000000001 109.499 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.68 -22.31 61.68 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.384 -0.822 . . . . 1.0900000000000001 109.65 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.11 -38.41 90.61 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.173 -0.955 . . . . 1.0700000000000001 109.395 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.426 ' O ' ' OD1' ' A' ' 20' ' ' ASP . . . 87.31 -101.25 2.66 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.771 -1.332 . . . . 0.31 109.771 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 19' ' ' GLY . 50.3 m-20 -138.43 5.68 2.49 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.337 -1.096 . . . . 2.21 109.181 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 204' ' ' HOH . 79.8 mttt -75.57 167.65 21.49 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.273 -0.892 . . . . 2.4100000000000001 109.523 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.05 156.13 25.7 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.264 -1.013 . . . . 1.05 108.264 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.3 t -147.21 97.97 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.131 -0.981 . . . . 1.03 109.344 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.9 t -87.0 163.67 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 108.797 -0.816 . . . . 1.01 108.797 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.9 t -137.47 149.6 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 N-CA-C 108.896 -0.779 . . . . 1.02 108.896 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -121.92 109.75 15.01 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.642 -0.661 . . . . 0.95999999999999996 109.768 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -100.07 100.45 11.32 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 108.386 -0.968 . . . . 0.32000000000000001 108.386 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 m -116.74 -168.73 1.51 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.534 -0.729 . . . . 1.04 109.496 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.06 113.34 9.94 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.465 -0.772 . . . . 1.0600000000000001 109.211 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.419 ' CG2' ' N ' ' A' ' 31' ' ' TRP . 6.6 t -68.13 -50.87 51.91 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.367 -0.833 . . . . 1.0600000000000001 109.447 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.459 ' CD1' ' OD2' ' A' ' 60' ' ' ASP . 30.7 p-90 -51.75 -22.79 3.85 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.23 -0.919 . . . . 0.51000000000000001 109.56 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.492 ' SG ' ' N ' ' A' ' 33' ' ' GLY . 9.1 t -88.14 158.65 18.49 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.211 -0.93 . . . . 0.37 109.79 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.492 ' N ' ' SG ' ' A' ' 32' ' ' CYS . . . -96.61 -67.65 0.96 Allowed Glycine 0 N--CA 1.497 2.714 0 N-CA-C 110.353 -1.099 . . . . 0.40000000000000002 110.353 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.517 ' C ' ' H ' ' A' ' 36' ' ' LYS . 3.4 Cg_exo -53.44 -45.18 42.9 Favored 'Trans proline' 0 C--N 1.318 -1.061 0 C-N-CA 121.501 1.467 . . . . 0.47999999999999998 110.397 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 19.9 m -72.39 15.8 0.16 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.066 -1.021 . . . . 1.0 109.458 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.517 ' H ' ' C ' ' A' ' 34' ' ' PRO . 42.4 tttm -122.61 -24.88 4.82 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 108.896 -0.779 . . . . 2.46 108.896 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.5 mmm -73.49 -6.12 44.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.366 -0.834 . . . . 3.6600000000000001 110.053 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.488 ' O ' ' CG2' ' A' ' 38' ' ' ILE . 48.4 mt -98.03 8.5 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.244 -0.91 . . . . 1.0700000000000001 109.854 -179.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.642 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 0.4 OUTLIER -80.48 -27.56 0.47 Allowed Pre-proline 0 N--CA 1.493 1.722 0 O-C-N 120.303 -1.498 . . . . 2.1099999999999999 112.542 179.439 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 1.0 OUTLIER -70.82 -14.56 32.82 Favored 'Trans proline' 0 C--O 1.214 -0.676 0 N-CA-C 108.868 -1.243 . . . . 0.29999999999999999 108.868 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -85.98 -56.65 3.37 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.958 -0.756 . . . . 0.37 108.958 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -60.33 -50.66 72.73 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.194 -0.942 . . . . 0.14999999999999999 109.728 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -62.0 -23.38 66.38 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.288 -0.882 . . . . 0.47999999999999998 109.695 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.83 -36.44 78.2 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.992 -1.067 . . . . 1.05 108.993 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.5 mt -57.16 -29.29 63.51 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.143 -0.973 . . . . 1.1299999999999999 109.102 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 m -49.74 -45.56 49.48 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.616 -0.678 . . . . 0.93000000000000005 110.991 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -89.39 -17.26 29.15 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.936 -1.102 . . . . 2.0 110.813 -178.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -84.75 -29.44 25.5 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.784 -1.197 . . . . 2.6499999999999999 109.669 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.401 ' C ' ' H ' ' A' ' 51' ' ' ASN . 65.1 m-85 -125.42 73.87 1.35 Allowed 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.472 -0.768 . . . . 0.89000000000000001 109.172 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.0 p -68.23 0.63 3.56 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.256 -0.903 . . . . 0.93000000000000005 109.469 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.401 ' H ' ' C ' ' A' ' 49' ' ' TYR . 46.6 t30 -99.24 10.72 40.87 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.346 -0.846 . . . . 0.46999999999999997 109.021 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 55.5 t -131.15 146.27 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 N-CA-C 109.136 -0.69 . . . . 1.03 109.136 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.4 mm -97.48 120.99 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 N-CA-C 108.54 -0.911 . . . . 1.05 108.54 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -111.18 131.55 55.02 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.361 -0.837 . . . . 0.11 109.746 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.9 mp -109.92 169.63 8.6 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.444 -0.785 . . . . 1.04 108.956 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -142.0 104.77 4.54 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.287 -0.883 . . . . 1.3100000000000001 108.807 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.6 t -104.9 146.43 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.462 -0.774 . . . . 1.02 109.992 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.513 ' CG ' ' H1 ' ' A' ' 203' ' ' HOH . 20.3 t0 -113.17 121.33 44.17 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 108.229 -1.026 . . . . 1.0800000000000001 108.229 179.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.504 ' CG2' ' H2 ' ' A' ' 203' ' ' HOH . 27.5 m -65.61 -3.6 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.065 -1.022 . . . . 1.0600000000000001 110.54 -178.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.459 ' OD2' ' CD1' ' A' ' 31' ' ' TRP . 2.1 m-20 -104.44 -45.59 4.61 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.1 -1.0 . . . . 1.1100000000000001 109.562 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -86.88 -27.4 23.46 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.106 -0.996 . . . . 1.1200000000000001 109.871 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -118.46 36.46 4.38 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.498 -0.751 . . . . 1.01 109.362 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.47 -14.37 1.24 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.208 -0.933 . . . . 2.7799999999999998 109.35 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.431 ' OD2' ' N ' ' A' ' 8' ' ' LYS . 11.4 p-10 -71.14 -39.54 71.9 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.173 -0.955 . . . . 1.1100000000000001 109.326 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.8 -33.71 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.303 -0.873 . . . . 1.05 109.461 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.59 -37.81 87.7 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 1.0600000000000001 109.53 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 t -65.56 -27.97 68.81 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.367 -0.833 . . . . 1.79 109.725 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -64.24 -55.3 22.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.14 -0.975 . . . . 2.2000000000000002 109.305 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.613 ' CB ' HE22 ' A' ' 78' ' ' GLN . . . -81.98 -1.1 47.0 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.25 -0.906 . . . . 1.0600000000000001 108.877 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 51.9 66.37 1.22 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.408 -0.808 . . . . 2.3399999999999999 109.837 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.6 t -86.22 105.12 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.196 -0.94 . . . . 1.05 109.174 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -109.56 20.68 17.89 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.358 -0.839 . . . . 2.9300000000000002 109.46 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.449 ' O ' ' OG1' ' A' ' 76' ' ' THR . . . -158.25 99.58 1.64 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.114 -0.991 . . . . 1.0600000000000001 109.003 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.9 p -98.82 153.21 37.96 Favored Pre-proline 0 N--CA 1.495 1.784 0 O-C-N 121.362 -0.836 . . . . 0.97999999999999998 108.848 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -76.86 162.6 91.31 Favored 'Cis proline' 0 N--CA 1.485 0.984 0 C-N-CA 124.821 -0.908 . . . . 0.23999999999999999 110.125 -1.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 73' ' ' ALA . 61.6 m -146.73 146.46 30.32 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.301 -0.874 . . . . 1.04 109.023 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -123.7 141.86 51.62 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.63 -0.669 . . . . 0.19 109.515 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.613 HE22 ' CB ' ' A' ' 69' ' ' ALA . 71.4 mt-30 -127.25 144.14 51.1 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.635 -0.666 . . . . 1.71 109.625 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -107.45 108.93 20.49 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.565 -0.709 . . . . 0.13 109.183 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -109.47 150.78 27.62 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.525 -0.734 . . . . 0.22 109.485 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 45.0 tttt -152.39 133.3 14.11 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.708 -0.849 . . . . 2.0299999999999998 108.708 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 75.2 mttt 52.58 18.5 0.99 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.305 -0.872 . . . . 2.1600000000000001 108.959 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 81.76 28.64 41.76 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.492 -1.443 . . . . 0.23000000000000001 109.492 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -134.66 125.91 28.04 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.572 -0.958 . . . . 2.8100000000000001 109.622 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -66.08 127.3 31.59 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.478 -0.764 . . . . 2.2599999999999998 108.962 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 6.9 m -123.39 -8.84 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 121.537 -0.727 . . . . 1.05 109.866 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -171.68 156.25 25.57 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.691 -1.364 . . . . 0.25 109.691 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -172.82 159.82 4.27 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.202 -1.175 . . . . 2.04 109.537 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -170.48 157.58 6.02 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.347 -0.845 . . . . 0.17999999999999999 109.627 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.1 p -124.83 140.22 53.13 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.559 -0.713 . . . . 0.89000000000000001 109.17 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 157.06 141.72 3.24 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.583 -1.407 . . . . 0.14000000000000001 109.583 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.26 38.07 0.41 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.315 -1.109 . . . . 1.0600000000000001 109.644 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -99.77 77.31 2.04 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.259 -0.901 . . . . 1.98 109.329 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.1 pttm -56.1 -29.98 61.4 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.581 -0.699 . . . . 1.72 110.271 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -68.76 -29.09 67.4 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.988 -1.07 . . . . 1.95 109.345 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -62.72 -32.48 73.6 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.372 -0.83 . . . . 2.5600000000000001 109.57 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 48.0 mt -51.35 -34.74 35.29 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.253 -0.904 . . . . 1.03 109.819 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -62.24 -63.46 1.23 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.959 -1.088 . . . . 2.1499999999999999 109.736 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.49 -28.94 63.87 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.258 -0.901 . . . . 1.04 109.891 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.3 m -72.17 -45.64 59.61 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.2 -0.937 . . . . 1.04 109.696 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.07 -35.08 55.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.139 -0.976 . . . . 1.05 109.403 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -77.02 0.53 20.94 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.115 -0.991 . . . . 1.6599999999999999 108.646 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -80.03 -56.61 4.12 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.577 -0.702 . . . . 2.02 109.754 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.4 mt -105.81 23.43 13.93 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.623 -0.673 . . . . 1.1399999999999999 109.545 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 118.008 -0.996 . . . . 1.1799999999999999 109.202 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' HOH . . . . . 0.513 ' H1 ' ' CG ' ' A' ' 58' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' HOH . . . . . 0.408 ' O ' ' N ' ' A' ' 21' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 mtt . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.341 -0.614 . . . . 2.8900000000000001 109.341 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.558 HG12 ' H ' ' A' ' 3' ' ' LYS . 17.0 t -136.25 173.38 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 N-CA-C 108.785 -0.821 . . . . 0.29999999999999999 108.785 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.558 ' H ' HG12 ' A' ' 2' ' ' VAL . 10.6 ttmt -147.85 125.29 11.65 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.141 -0.974 . . . . 1.97 109.281 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -81.55 124.51 29.56 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.363 -0.836 . . . . 0.97999999999999998 109.047 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.4 mm -90.19 123.24 42.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.238 -0.914 . . . . 0.19 108.927 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -92.0 -28.25 17.32 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.205 -0.934 . . . . 1.97 109.662 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.4 p -159.18 -164.41 1.39 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.175 -0.953 . . . . 0.23000000000000001 109.748 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.431 ' N ' ' OD2' ' A' ' 64' ' ' ASP . 74.9 tttt -79.81 -24.24 41.52 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.168 -0.958 . . . . 1.8999999999999999 109.496 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.3 m -58.92 -52.53 65.35 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.173 -0.954 . . . . 0.25 109.435 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.59 -30.97 70.71 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.269 -0.894 . . . . 0.20000000000000001 109.682 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -59.45 -46.48 88.63 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.181 -0.95 . . . . 0.20999999999999999 109.538 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -65.15 -53.61 42.36 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.256 -0.902 . . . . 2.4700000000000002 109.93 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -58.55 -25.86 62.95 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.192 -0.943 . . . . 2.1000000000000001 109.618 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.99 -46.26 71.84 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.973 -1.08 . . . . 0.20000000000000001 108.693 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.2 mt -66.13 -25.23 66.89 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.38 -0.825 . . . . 0.62 108.792 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -71.73 -44.73 63.63 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.395 -0.816 . . . . 1.0900000000000001 109.499 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.68 -22.31 61.68 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.384 -0.822 . . . . 0.29999999999999999 109.65 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.11 -38.41 90.61 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.173 -0.955 . . . . 0.23999999999999999 109.395 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.426 ' O ' ' OD1' ' A' ' 20' ' ' ASP . . . 87.31 -101.25 2.66 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.771 -1.332 . . . . 0.28000000000000003 109.771 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 19' ' ' GLY . 50.3 m-20 -138.43 5.68 2.49 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.337 -1.096 . . . . 2.21 109.181 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 204' ' ' HOH . 79.8 mttt -75.57 167.65 21.49 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.273 -0.892 . . . . 1.8999999999999999 109.523 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.433 HD23 ' H ' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -63.05 156.13 25.7 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.264 -1.013 . . . . 0.17000000000000001 108.264 179.744 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.433 ' H ' HD23 ' A' ' 22' ' ' LEU . 43.3 t -147.21 97.97 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.131 -0.981 . . . . 0.12 109.344 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 25' ' ' VAL . 8.9 t -87.0 163.67 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 108.797 -0.816 . . . . 0.089999999999999997 108.797 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.4 ' N ' HG12 ' A' ' 24' ' ' VAL . 23.9 t -137.47 149.6 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 N-CA-C 108.896 -0.779 . . . . 0.17000000000000001 108.896 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -121.92 109.75 15.01 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.642 -0.661 . . . . 0.95999999999999996 109.768 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -100.07 100.45 11.32 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 108.386 -0.968 . . . . 0.23999999999999999 108.386 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 m -116.74 -168.73 1.51 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.534 -0.729 . . . . 1.03 109.496 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.611 ' HB1' ' NE1' ' A' ' 31' ' ' TRP . . . -137.06 113.34 9.94 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.465 -0.772 . . . . 0.26000000000000001 109.211 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.618 HG23 ' N ' ' A' ' 31' ' ' TRP . 6.6 t -68.13 -50.87 51.91 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.367 -0.833 . . . . 0.32000000000000001 109.447 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.618 ' N ' HG23 ' A' ' 30' ' ' THR . 30.7 p-90 -51.75 -22.79 3.85 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.23 -0.919 . . . . 0.44 109.56 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.492 ' SG ' ' N ' ' A' ' 33' ' ' GLY . 9.1 t -88.14 158.65 18.49 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.211 -0.93 . . . . 0.32000000000000001 109.79 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.492 ' N ' ' SG ' ' A' ' 32' ' ' CYS . . . -96.61 -67.65 0.96 Allowed Glycine 0 N--CA 1.497 2.714 0 N-CA-C 110.353 -1.099 . . . . 0.35999999999999999 110.353 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.478 ' C ' ' H ' ' A' ' 36' ' ' LYS . 3.4 Cg_exo -53.44 -45.18 42.9 Favored 'Trans proline' 0 C--N 1.318 -1.061 0 C-N-CA 121.501 1.467 . . . . 0.44 110.397 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.9 m -72.39 15.8 0.16 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.066 -1.021 . . . . 0.81000000000000005 109.458 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.478 ' H ' ' C ' ' A' ' 34' ' ' PRO . 42.4 tttm -122.61 -24.88 4.82 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 108.896 -0.779 . . . . 1.9199999999999999 108.896 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.5 mmm -73.49 -6.12 44.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.366 -0.834 . . . . 3.1299999999999999 110.053 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.639 ' O ' HG22 ' A' ' 38' ' ' ILE . 48.4 mt -98.03 8.5 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.244 -0.91 . . . . 0.28000000000000003 109.854 -179.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.642 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 0.4 OUTLIER -80.48 -27.56 0.47 Allowed Pre-proline 0 N--CA 1.493 1.722 0 O-C-N 120.303 -1.498 . . . . 1.6200000000000001 112.542 179.439 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 1.0 OUTLIER -70.82 -14.56 32.82 Favored 'Trans proline' 0 C--O 1.214 -0.676 0 N-CA-C 108.868 -1.243 . . . . 0.25 108.868 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -85.98 -56.65 3.37 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.958 -0.756 . . . . 0.29999999999999999 108.958 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -60.33 -50.66 72.73 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.194 -0.942 . . . . 0.13 109.728 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -62.0 -23.38 66.38 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.288 -0.882 . . . . 0.40999999999999998 109.695 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.83 -36.44 78.2 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.992 -1.067 . . . . 0.96999999999999997 108.993 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.409 ' HG ' ' H ' ' A' ' 45' ' ' LEU . 16.5 mt -57.16 -29.29 63.51 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.143 -0.973 . . . . 0.5 109.102 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 m -49.74 -45.56 49.48 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.616 -0.678 . . . . 0.51000000000000001 110.991 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -89.39 -17.26 29.15 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.936 -1.102 . . . . 2.0 110.813 -178.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -84.75 -29.44 25.5 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.784 -1.197 . . . . 2.1600000000000001 109.669 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -125.42 73.87 1.35 Allowed 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.472 -0.768 . . . . 0.23999999999999999 109.172 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.0 p -68.23 0.63 3.56 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.256 -0.903 . . . . 0.17000000000000001 109.469 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -99.24 10.72 40.87 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.346 -0.846 . . . . 0.34000000000000002 109.021 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 55.5 t -131.15 146.27 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 N-CA-C 109.136 -0.69 . . . . 0.12 109.136 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.442 HD13 ' N ' ' A' ' 53' ' ' ILE . 4.4 mm -97.48 120.99 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 N-CA-C 108.54 -0.911 . . . . 0.17000000000000001 108.54 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.488 ' C ' HD12 ' A' ' 55' ' ' LEU . 95.7 m-85 -111.18 131.55 55.02 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.361 -0.837 . . . . 0.11 109.746 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.488 HD12 ' C ' ' A' ' 54' ' ' PHE . 10.9 mp -109.92 169.63 8.6 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.444 -0.785 . . . . 0.12 108.956 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -142.0 104.77 4.54 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.287 -0.883 . . . . 1.3100000000000001 108.807 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.6 t -104.9 146.43 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.462 -0.774 . . . . 0.14000000000000001 109.992 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -113.17 121.33 44.17 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 108.229 -1.026 . . . . 1.0800000000000001 108.229 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.5 m -65.61 -3.6 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.065 -1.022 . . . . 0.27000000000000002 110.54 -178.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.459 ' OD2' ' CD1' ' A' ' 31' ' ' TRP . 2.1 m-20 -104.44 -45.59 4.61 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.1 -1.0 . . . . 1.1100000000000001 109.562 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -86.88 -27.4 23.46 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.106 -0.996 . . . . 1.1200000000000001 109.871 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -118.46 36.46 4.38 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.498 -0.751 . . . . 0.17000000000000001 109.362 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -54.47 -14.37 1.24 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.208 -0.933 . . . . 2.2200000000000002 109.35 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.431 ' OD2' ' N ' ' A' ' 8' ' ' LYS . 11.4 p-10 -71.14 -39.54 71.9 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.173 -0.955 . . . . 1.1100000000000001 109.326 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.8 -33.71 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.303 -0.873 . . . . 0.19 109.461 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.59 -37.81 87.7 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 0.22 109.53 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 t -65.56 -27.97 68.81 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.367 -0.833 . . . . 1.29 109.725 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -64.24 -55.3 22.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.14 -0.975 . . . . 2.2000000000000002 109.305 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.98 -1.1 47.0 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.25 -0.906 . . . . 0.33000000000000002 108.877 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 51.9 66.37 1.22 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.408 -0.808 . . . . 2.3399999999999999 109.837 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.6 t -86.22 105.12 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.196 -0.94 . . . . 0.28000000000000003 109.174 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -109.56 20.68 17.89 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.358 -0.839 . . . . 2.3999999999999999 109.46 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.449 ' O ' ' OG1' ' A' ' 76' ' ' THR . . . -158.25 99.58 1.64 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.114 -0.991 . . . . 0.22 109.003 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.9 p -98.82 153.21 37.96 Favored Pre-proline 0 N--CA 1.495 1.784 0 O-C-N 121.362 -0.836 . . . . 0.22 108.848 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -76.86 162.6 91.31 Favored 'Cis proline' 0 N--CA 1.485 0.984 0 C-N-CA 124.821 -0.908 . . . . 0.20000000000000001 110.125 -1.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 73' ' ' ALA . 61.6 m -146.73 146.46 30.32 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.301 -0.874 . . . . 0.17999999999999999 109.023 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -123.7 141.86 51.62 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.63 -0.669 . . . . 0.14999999999999999 109.515 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -127.25 144.14 51.1 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.635 -0.666 . . . . 1.03 109.625 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.474 ' CZ ' HG22 ' A' ' 100' ' ' THR . 25.6 m-85 -107.45 108.93 20.49 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.565 -0.709 . . . . 0.11 109.183 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -109.47 150.78 27.62 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.525 -0.734 . . . . 0.17000000000000001 109.485 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 45.0 tttt -152.39 133.3 14.11 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.708 -0.849 . . . . 1.48 108.708 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 75.2 mttt 52.58 18.5 0.99 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.305 -0.872 . . . . 1.6699999999999999 108.959 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 81.76 28.64 41.76 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.492 -1.443 . . . . 0.22 109.492 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -134.66 125.91 28.04 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.572 -0.958 . . . . 2.0800000000000001 109.622 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -66.08 127.3 31.59 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.478 -0.764 . . . . 1.7 108.962 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 6.9 m -123.39 -8.84 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 121.537 -0.727 . . . . 0.26000000000000001 109.866 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -171.68 156.25 25.57 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.691 -1.364 . . . . 0.17999999999999999 109.691 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -172.82 159.82 4.27 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.202 -1.175 . . . . 2.04 109.537 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -170.48 157.58 6.02 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.347 -0.845 . . . . 0.14000000000000001 109.627 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.1 p -124.83 140.22 53.13 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.559 -0.713 . . . . 0.17000000000000001 109.17 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 157.06 141.72 3.24 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.583 -1.407 . . . . 0.13 109.583 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.26 38.07 0.41 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.315 -1.109 . . . . 0.20000000000000001 109.644 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -99.77 77.31 2.04 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.259 -0.901 . . . . 1.1499999999999999 109.329 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.1 pttm -56.1 -29.98 61.4 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.581 -0.699 . . . . 1.1899999999999999 110.271 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -68.76 -29.09 67.4 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.988 -1.07 . . . . 1.95 109.345 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -62.72 -32.48 73.6 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.372 -0.83 . . . . 2.0499999999999998 109.57 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 48.0 mt -51.35 -34.74 35.29 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.253 -0.904 . . . . 0.14999999999999999 109.819 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -62.24 -63.46 1.23 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.959 -1.088 . . . . 2.1499999999999999 109.736 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.49 -28.94 63.87 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.258 -0.901 . . . . 0.14999999999999999 109.891 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.474 HG22 ' CZ ' ' A' ' 79' ' ' PHE . 4.3 m -72.17 -45.64 59.61 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.2 -0.937 . . . . 0.13 109.696 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.07 -35.08 55.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.139 -0.976 . . . . 0.17999999999999999 109.403 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -77.02 0.53 20.94 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.115 -0.991 . . . . 1.03 108.646 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -80.03 -56.61 4.12 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.577 -0.702 . . . . 2.02 109.754 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.4 mt -105.81 23.43 13.93 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.623 -0.673 . . . . 0.34999999999999998 109.545 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 118.008 -0.996 . . . . 1.1799999999999999 109.202 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 204' ' ' HOH . . . . . 0.408 ' O ' ' N ' ' A' ' 21' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 mtt . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.341 -0.614 . . . . 2.8900000000000001 109.341 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.558 HG12 ' H ' ' A' ' 3' ' ' LYS . 17.0 t -136.25 173.38 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 N-CA-C 108.785 -0.821 . . . . 0.29999999999999999 108.785 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.558 ' H ' HG12 ' A' ' 2' ' ' VAL . 10.6 ttmt -147.85 125.29 11.65 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.141 -0.974 . . . . 1.97 109.281 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -81.55 124.51 29.56 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.363 -0.836 . . . . 0.97999999999999998 109.047 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.4 mm -90.19 123.24 42.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.238 -0.914 . . . . 0.19 108.927 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -92.0 -28.25 17.32 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.205 -0.934 . . . . 1.97 109.662 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.4 p -159.18 -164.41 1.39 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.175 -0.953 . . . . 0.23000000000000001 109.748 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.431 ' N ' ' OD2' ' A' ' 64' ' ' ASP . 74.9 tttt -79.81 -24.24 41.52 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.168 -0.958 . . . . 1.8999999999999999 109.496 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.3 m -58.92 -52.53 65.35 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.173 -0.954 . . . . 0.25 109.435 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.59 -30.97 70.71 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.269 -0.894 . . . . 0.20000000000000001 109.682 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -59.45 -46.48 88.63 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.181 -0.95 . . . . 0.20999999999999999 109.538 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -65.15 -53.61 42.36 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.256 -0.902 . . . . 2.4700000000000002 109.93 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -58.55 -25.86 62.95 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.192 -0.943 . . . . 2.1000000000000001 109.618 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.99 -46.26 71.84 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.973 -1.08 . . . . 0.20000000000000001 108.693 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.2 mt -66.13 -25.23 66.89 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.38 -0.825 . . . . 0.62 108.792 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -71.73 -44.73 63.63 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.395 -0.816 . . . . 1.0900000000000001 109.499 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.68 -22.31 61.68 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.384 -0.822 . . . . 0.29999999999999999 109.65 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.11 -38.41 90.61 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.173 -0.955 . . . . 0.23999999999999999 109.395 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.426 ' O ' ' OD1' ' A' ' 20' ' ' ASP . . . 87.31 -101.25 2.66 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.771 -1.332 . . . . 0.28000000000000003 109.771 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 19' ' ' GLY . 50.3 m-20 -138.43 5.68 2.49 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.337 -1.096 . . . . 2.21 109.181 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 204' ' ' HOH . 79.8 mttt -75.57 167.65 21.49 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.273 -0.892 . . . . 1.8999999999999999 109.523 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.433 HD23 ' H ' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -63.05 156.13 25.7 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.264 -1.013 . . . . 0.17000000000000001 108.264 179.744 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.433 ' H ' HD23 ' A' ' 22' ' ' LEU . 43.3 t -147.21 97.97 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.131 -0.981 . . . . 0.12 109.344 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 25' ' ' VAL . 8.9 t -87.0 163.67 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 108.797 -0.816 . . . . 0.089999999999999997 108.797 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.4 ' N ' HG12 ' A' ' 24' ' ' VAL . 23.9 t -137.47 149.6 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 N-CA-C 108.896 -0.779 . . . . 0.17000000000000001 108.896 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -121.92 109.75 15.01 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.642 -0.661 . . . . 0.95999999999999996 109.768 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -100.07 100.45 11.32 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 108.386 -0.968 . . . . 0.23999999999999999 108.386 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 m -116.74 -168.73 1.51 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.534 -0.729 . . . . 1.03 109.496 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.611 ' HB1' ' NE1' ' A' ' 31' ' ' TRP . . . -137.06 113.34 9.94 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.465 -0.772 . . . . 0.26000000000000001 109.211 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.618 HG23 ' N ' ' A' ' 31' ' ' TRP . 6.6 t -68.13 -50.87 51.91 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.367 -0.833 . . . . 0.32000000000000001 109.447 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.618 ' N ' HG23 ' A' ' 30' ' ' THR . 30.7 p-90 -51.75 -22.79 3.85 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.23 -0.919 . . . . 0.44 109.56 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.492 ' SG ' ' N ' ' A' ' 33' ' ' GLY . 9.1 t -88.14 158.65 18.49 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.211 -0.93 . . . . 0.32000000000000001 109.79 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.492 ' N ' ' SG ' ' A' ' 32' ' ' CYS . . . -96.61 -67.65 0.96 Allowed Glycine 0 N--CA 1.497 2.714 0 N-CA-C 110.353 -1.099 . . . . 0.35999999999999999 110.353 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.478 ' C ' ' H ' ' A' ' 36' ' ' LYS . 3.4 Cg_exo -53.44 -45.18 42.9 Favored 'Trans proline' 0 C--N 1.318 -1.061 0 C-N-CA 121.501 1.467 . . . . 0.44 110.397 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.9 m -72.39 15.8 0.16 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.066 -1.021 . . . . 0.81000000000000005 109.458 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.478 ' H ' ' C ' ' A' ' 34' ' ' PRO . 42.4 tttm -122.61 -24.88 4.82 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 108.896 -0.779 . . . . 1.9199999999999999 108.896 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.5 mmm -73.49 -6.12 44.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.366 -0.834 . . . . 3.1299999999999999 110.053 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.639 ' O ' HG22 ' A' ' 38' ' ' ILE . 48.4 mt -98.03 8.5 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.244 -0.91 . . . . 0.28000000000000003 109.854 -179.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.642 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 0.4 OUTLIER -80.48 -27.56 0.47 Allowed Pre-proline 0 N--CA 1.493 1.722 0 O-C-N 120.303 -1.498 . . . . 1.6200000000000001 112.542 179.439 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 1.0 OUTLIER -70.82 -14.56 32.82 Favored 'Trans proline' 0 C--O 1.214 -0.676 0 N-CA-C 108.868 -1.243 . . . . 0.25 108.868 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -85.98 -56.65 3.37 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.958 -0.756 . . . . 0.29999999999999999 108.958 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -60.33 -50.66 72.73 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.194 -0.942 . . . . 0.13 109.728 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -62.0 -23.38 66.38 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.288 -0.882 . . . . 0.40999999999999998 109.695 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.83 -36.44 78.2 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.992 -1.067 . . . . 0.96999999999999997 108.993 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.409 ' HG ' ' H ' ' A' ' 45' ' ' LEU . 16.5 mt -57.16 -29.29 63.51 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.143 -0.973 . . . . 0.5 109.102 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 m -49.74 -45.56 49.48 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.616 -0.678 . . . . 0.51000000000000001 110.991 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -89.39 -17.26 29.15 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.936 -1.102 . . . . 2.0 110.813 -178.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -84.75 -29.44 25.5 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.784 -1.197 . . . . 2.1600000000000001 109.669 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -125.42 73.87 1.35 Allowed 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.472 -0.768 . . . . 0.23999999999999999 109.172 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.0 p -68.23 0.63 3.56 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.256 -0.903 . . . . 0.17000000000000001 109.469 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -99.24 10.72 40.87 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.346 -0.846 . . . . 0.34000000000000002 109.021 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 55.5 t -131.15 146.27 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 N-CA-C 109.136 -0.69 . . . . 0.12 109.136 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.442 HD13 ' N ' ' A' ' 53' ' ' ILE . 4.4 mm -97.48 120.99 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 N-CA-C 108.54 -0.911 . . . . 0.17000000000000001 108.54 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.488 ' C ' HD12 ' A' ' 55' ' ' LEU . 95.7 m-85 -111.18 131.55 55.02 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.361 -0.837 . . . . 0.11 109.746 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.488 HD12 ' C ' ' A' ' 54' ' ' PHE . 10.9 mp -109.92 169.63 8.6 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.444 -0.785 . . . . 0.12 108.956 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -142.0 104.77 4.54 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.287 -0.883 . . . . 1.3100000000000001 108.807 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.6 t -104.9 146.43 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.462 -0.774 . . . . 0.14000000000000001 109.992 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -113.17 121.33 44.17 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 108.229 -1.026 . . . . 1.0800000000000001 108.229 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.5 m -65.61 -3.6 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.065 -1.022 . . . . 0.27000000000000002 110.54 -178.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.459 ' OD2' ' CD1' ' A' ' 31' ' ' TRP . 2.1 m-20 -104.44 -45.59 4.61 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.1 -1.0 . . . . 1.1100000000000001 109.562 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -86.88 -27.4 23.46 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.106 -0.996 . . . . 1.1200000000000001 109.871 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -118.46 36.46 4.38 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.498 -0.751 . . . . 0.17000000000000001 109.362 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.47 -14.37 1.24 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.208 -0.933 . . . . 2.2200000000000002 109.35 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.431 ' OD2' ' N ' ' A' ' 8' ' ' LYS . 11.4 p-10 -71.14 -39.54 71.9 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.173 -0.955 . . . . 1.1100000000000001 109.326 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.8 -33.71 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.303 -0.873 . . . . 0.19 109.461 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.59 -37.81 87.7 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 0.22 109.53 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 t -65.56 -27.97 68.81 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.367 -0.833 . . . . 1.29 109.725 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -64.24 -55.3 22.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.14 -0.975 . . . . 2.2000000000000002 109.305 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.643 ' CB ' HE22 ' A' ' 78' ' ' GLN . . . -81.98 -1.1 47.0 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.25 -0.906 . . . . 0.33000000000000002 108.877 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 51.9 66.37 1.22 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.408 -0.808 . . . . 2.3399999999999999 109.837 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.6 t -86.22 105.12 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.196 -0.94 . . . . 0.28000000000000003 109.174 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -109.56 20.68 17.89 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.358 -0.839 . . . . 2.3999999999999999 109.46 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.449 ' O ' ' OG1' ' A' ' 76' ' ' THR . . . -158.25 99.58 1.64 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.114 -0.991 . . . . 0.22 109.003 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.9 p -98.82 153.21 37.96 Favored Pre-proline 0 N--CA 1.495 1.784 0 O-C-N 121.362 -0.836 . . . . 0.22 108.848 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -76.86 162.6 91.31 Favored 'Cis proline' 0 N--CA 1.485 0.984 0 C-N-CA 124.821 -0.908 . . . . 0.20000000000000001 110.125 -1.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 73' ' ' ALA . 61.6 m -146.73 146.46 30.32 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.301 -0.874 . . . . 0.17999999999999999 109.023 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -123.7 141.86 51.62 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.63 -0.669 . . . . 0.14999999999999999 109.515 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.643 HE22 ' CB ' ' A' ' 69' ' ' ALA . 71.4 mt-30 -127.25 144.14 51.1 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.635 -0.666 . . . . 1.03 109.625 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.474 ' CZ ' HG22 ' A' ' 100' ' ' THR . 25.6 m-85 -107.45 108.93 20.49 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.565 -0.709 . . . . 0.11 109.183 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -109.47 150.78 27.62 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.525 -0.734 . . . . 0.17000000000000001 109.485 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 45.0 tttt -152.39 133.3 14.11 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.708 -0.849 . . . . 1.48 108.708 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 75.2 mttt 52.58 18.5 0.99 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.305 -0.872 . . . . 1.6699999999999999 108.959 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 81.76 28.64 41.76 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.492 -1.443 . . . . 0.22 109.492 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -134.66 125.91 28.04 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.572 -0.958 . . . . 2.0800000000000001 109.622 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -66.08 127.3 31.59 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.478 -0.764 . . . . 1.7 108.962 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 6.9 m -123.39 -8.84 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 121.537 -0.727 . . . . 0.26000000000000001 109.866 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -171.68 156.25 25.57 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.691 -1.364 . . . . 0.17999999999999999 109.691 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -172.82 159.82 4.27 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.202 -1.175 . . . . 2.04 109.537 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -170.48 157.58 6.02 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.347 -0.845 . . . . 0.14000000000000001 109.627 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.1 p -124.83 140.22 53.13 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.559 -0.713 . . . . 0.17000000000000001 109.17 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 157.06 141.72 3.24 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.583 -1.407 . . . . 0.13 109.583 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.26 38.07 0.41 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.315 -1.109 . . . . 0.20000000000000001 109.644 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -99.77 77.31 2.04 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.259 -0.901 . . . . 1.1499999999999999 109.329 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.1 pttm -56.1 -29.98 61.4 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.581 -0.699 . . . . 1.1899999999999999 110.271 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -68.76 -29.09 67.4 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.988 -1.07 . . . . 1.95 109.345 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -62.72 -32.48 73.6 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.372 -0.83 . . . . 2.0499999999999998 109.57 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 48.0 mt -51.35 -34.74 35.29 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.253 -0.904 . . . . 0.14999999999999999 109.819 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -62.24 -63.46 1.23 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.959 -1.088 . . . . 2.1499999999999999 109.736 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.49 -28.94 63.87 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.258 -0.901 . . . . 0.14999999999999999 109.891 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.474 HG22 ' CZ ' ' A' ' 79' ' ' PHE . 4.3 m -72.17 -45.64 59.61 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.2 -0.937 . . . . 0.13 109.696 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.07 -35.08 55.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.139 -0.976 . . . . 0.17999999999999999 109.403 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -77.02 0.53 20.94 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.115 -0.991 . . . . 1.03 108.646 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -80.03 -56.61 4.12 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.577 -0.702 . . . . 2.02 109.754 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.4 mt -105.81 23.43 13.93 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.623 -0.673 . . . . 0.34999999999999998 109.545 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 118.008 -0.996 . . . . 1.1799999999999999 109.202 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' HOH . . . . . 0.408 ' O ' ' N ' ' A' ' 21' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_