data_1vii_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 1vii _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 ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.409 0.624 . . . . 4.2699999999999996 109.323 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.635 HD23 ' HA2' ' A' ' 74' ' ' GLY . 1.9 mp -64.31 100.19 0.33 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.462 -0.774 . . . . 1.8400000000000001 110.471 -179.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.56 ' O ' ' C ' ' A' ' 44' ' ' ASP . 0.1 OUTLIER -63.14 154.23 31.78 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.03 -1.1 . . . . 2.3500000000000001 108.03 178.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.56 ' C ' ' O ' ' A' ' 43' ' ' SER . 1.9 m-20 -33.48 -75.64 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.072 -1.017 . . . . 2.25 110.147 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 44' ' ' ASP . 6.7 mt-10 -36.21 -64.39 0.33 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.332 -0.855 . . . . 2.71 111.069 -179.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.485 ' O ' ' C ' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -47.25 -56.98 5.71 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.902 -1.124 . . . . 1.8100000000000001 109.608 -178.818 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.931 ' CE1' ' CD2' ' A' ' 51' ' ' PHE . 30.7 t80 -42.58 -56.94 2.89 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.093 -1.005 . . . . 2.2200000000000002 108.381 178.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -35.82 -63.24 0.38 Allowed 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 115.327 -0.851 . . . . 4.0300000000000002 110.2 -179.604 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.406 ' C ' HG21 ' A' ' 50' ' ' VAL . . . -79.38 39.36 0.39 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.05 -1.031 . . . . 1.47 110.036 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.606 HG12 ' H ' ' A' ' 74' ' ' GLY . 74.6 t -140.77 -78.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 O-C-N 121.16 -0.962 . . . . 1.48 109.779 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.931 ' CD2' ' CE1' ' A' ' 47' ' ' PHE . 98.6 m-85 -79.65 -72.8 0.38 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.027 -1.046 . . . . 2.2200000000000002 109.303 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.29 -54.94 0.43 Allowed Glycine 0 N--CA 1.487 2.087 0 N-CA-C 107.994 -2.042 . . . . 0.92000000000000004 107.994 -179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.4 mtt -90.62 -121.66 0.07 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.504 -0.998 . . . . 2.6400000000000001 108.853 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.5 ' C ' ' CZ ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -125.36 162.5 24.64 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.987 -1.07 . . . . 1.8500000000000001 108.726 179.248 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.631 ' HG3' ' CE1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -67.22 -43.2 82.63 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 107.294 -1.373 . . . . 1.3899999999999999 107.294 179.151 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.35 -59.56 4.42 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.246 -1.02 . . . . 2.04 108.246 178.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.477 ' HA ' ' OD1' ' A' ' 60' ' ' ASN . . . -61.66 -37.04 82.6 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.165 -1.05 . . . . 1.3400000000000001 108.165 178.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.563 ' O ' HD13 ' A' ' 61' ' ' LEU . 32.6 t80 -50.72 -28.1 8.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.519 -0.738 . . . . 2.1099999999999999 109.681 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.39 28.94 0.7 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.308 -0.87 . . . . 1.46 109.906 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.477 ' OD1' ' HA ' ' A' ' 57' ' ' ALA . 7.3 m120 -107.86 -15.93 14.43 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.054 -1.029 . . . . 2.2400000000000002 109.016 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.623 ' HB3' ' HD2' ' A' ' 62' ' ' PRO . 0.2 OUTLIER -79.52 172.29 10.26 Favored Pre-proline 0 N--CA 1.491 1.582 0 N-CA-C 108.162 -1.051 . . . . 2.0499999999999998 108.162 179.129 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.625 ' HB2' ' CE2' ' A' ' 64' ' ' TRP . 4.3 Cg_exo -58.26 146.67 88.08 Favored 'Trans proline' 0 C--N 1.309 -1.504 0 C-N-CA 121.806 1.671 . . . . 0.95999999999999996 109.996 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.468 HD11 ' O ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -54.84 -41.09 70.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.251 -0.906 . . . . 2.3500000000000001 110.131 -179.437 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.625 ' CE2' ' HB2' ' A' ' 62' ' ' PRO . 47.8 p-90 -67.46 -30.48 70.2 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.601 -1.259 . . . . 1.1799999999999999 107.601 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.541 ' HE3' ' HG ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -72.44 -26.81 61.98 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.829 -1.174 . . . . 2.1099999999999999 107.829 178.287 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.616 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 15.9 mt-30 -68.88 -77.13 0.08 Allowed 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 108.459 -0.941 . . . . 0.84999999999999998 108.459 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.602 ' O ' ' HD3' ' A' ' 71' ' ' LYS . 75.9 mt-30 -37.79 -36.61 0.19 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.786 -0.571 . . . . 2.4500000000000002 109.57 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 70' ' ' LYS . 20.2 m-20 -67.77 -73.49 0.14 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.077 -1.014 . . . . 1.45 109.581 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.716 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 14.2 mt -42.51 -26.76 0.13 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.178 -0.951 . . . . 1.46 109.02 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.677 ' O ' ' O ' ' A' ' 73' ' ' LYS . 29.6 mtpt -71.1 -80.3 0.06 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.536 -0.728 . . . . 2.1400000000000001 110.065 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.602 ' HD3' ' O ' ' A' ' 67' ' ' GLN . 1.1 mptp? -47.74 -20.87 0.32 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.654 -1.278 . . . . 4.3399999999999999 108.308 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.458 ' N ' ' C ' ' A' ' 70' ' ' LYS . 2.7 mt-10 -77.02 -36.09 56.51 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 106.466 -1.679 . . . . 2.46 106.466 177.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.716 ' HG3' ' O ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -157.56 175.92 13.31 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.982 0.896 . . . . 2.6699999999999999 110.407 179.357 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.635 ' HA2' HD23 ' A' ' 42' ' ' LEU . . . 68.38 -11.03 1.19 Allowed Glycine 0 N--CA 1.484 1.841 0 N-CA-C 109.932 -1.267 . . . . 2.1800000000000002 109.932 178.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.499 ' H ' ' C ' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -78.11 -18.74 55.29 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 120.659 -1.495 . . . . 4.1600000000000001 109.119 179.743 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.439 ' N ' ' HG ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.498 1.964 0 O-C-N 121.001 -1.062 . . . . 6.7999999999999998 109.367 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.409 0.624 . . . . 3.7799999999999998 109.323 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.862 HD23 ' HA ' ' A' ' 47' ' ' PHE . 1.9 mp -64.31 100.19 0.33 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.462 -0.774 . . . . 1.27 110.471 -179.006 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.56 ' O ' ' C ' ' A' ' 44' ' ' ASP . 0.1 OUTLIER -63.14 154.23 31.78 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.03 -1.1 . . . . 1.9299999999999999 108.03 178.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.56 ' C ' ' O ' ' A' ' 43' ' ' SER . 1.9 m-20 -33.48 -75.64 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.072 -1.017 . . . . 2.25 110.147 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 44' ' ' ASP . 6.7 mt-10 -36.21 -64.39 0.33 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.332 -0.855 . . . . 2.71 111.069 -179.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.567 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -47.25 -56.98 5.71 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.902 -1.124 . . . . 1.8100000000000001 109.608 -178.818 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.931 ' CE1' ' CD2' ' A' ' 51' ' ' PHE . 30.7 t80 -42.58 -56.94 2.89 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.093 -1.005 . . . . 1.3799999999999999 108.381 178.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -35.82 -63.24 0.38 Allowed 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 115.327 -0.851 . . . . 3.6299999999999999 110.2 -179.604 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.38 39.36 0.39 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.05 -1.031 . . . . 1.3100000000000001 110.036 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.761 HG11 ' HA2' ' A' ' 74' ' ' GLY . 74.6 t -140.77 -78.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 O-C-N 121.16 -0.962 . . . . 0.87 109.779 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.931 ' CD2' ' CE1' ' A' ' 47' ' ' PHE . 98.6 m-85 -79.65 -72.8 0.38 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.027 -1.046 . . . . 1.3700000000000001 109.303 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.29 -54.94 0.43 Allowed Glycine 0 N--CA 1.487 2.087 0 N-CA-C 107.994 -2.042 . . . . 0.82999999999999996 107.994 -179.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.4 mtt -90.62 -121.66 0.07 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.504 -0.998 . . . . 2.02 108.853 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.5 ' C ' ' CZ ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -125.36 162.5 24.64 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.987 -1.07 . . . . 1.27 108.726 179.248 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.641 ' HG3' ' CE1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -67.22 -43.2 82.63 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 107.294 -1.373 . . . . 1.1699999999999999 107.294 179.151 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.35 -59.56 4.42 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.246 -1.02 . . . . 1.74 108.246 178.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.47 ' HA ' ' OD1' ' A' ' 60' ' ' ASN . . . -61.66 -37.04 82.6 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.165 -1.05 . . . . 0.72999999999999998 108.165 178.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.545 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 32.6 t80 -50.72 -28.1 8.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.519 -0.738 . . . . 1.3600000000000001 109.681 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.39 28.94 0.7 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.308 -0.87 . . . . 0.88 109.906 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.47 ' OD1' ' HA ' ' A' ' 57' ' ' ALA . 7.3 m120 -107.86 -15.93 14.43 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.054 -1.029 . . . . 1.5900000000000001 109.016 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.691 ' HB3' ' HD2' ' A' ' 62' ' ' PRO . 0.2 OUTLIER -79.52 172.29 10.26 Favored Pre-proline 0 N--CA 1.491 1.582 0 N-CA-C 108.162 -1.051 . . . . 1.4299999999999999 108.162 179.129 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.691 ' HD2' ' HB3' ' A' ' 61' ' ' LEU . 4.3 Cg_exo -58.26 146.67 88.08 Favored 'Trans proline' 0 C--N 1.309 -1.504 0 C-N-CA 121.806 1.671 . . . . 0.85999999999999999 109.996 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.84 -41.09 70.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.251 -0.906 . . . . 1.6899999999999999 110.131 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.643 ' CE2' ' HB2' ' A' ' 62' ' ' PRO . 47.8 p-90 -67.46 -30.48 70.2 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.601 -1.259 . . . . 1.1000000000000001 107.601 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.565 ' HE3' ' HG ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -72.44 -26.81 61.98 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.829 -1.174 . . . . 1.6000000000000001 107.829 178.287 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.61 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 60.9 mt-30 -68.88 -77.13 0.08 Allowed 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 108.459 -0.941 . . . . 0.84999999999999998 108.459 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.635 ' O ' ' HD3' ' A' ' 71' ' ' LYS . 75.9 mt-30 -37.79 -36.61 0.19 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.786 -0.571 . . . . 2.1499999999999999 109.57 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 70' ' ' LYS . 20.2 m-20 -67.77 -73.49 0.14 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.077 -1.014 . . . . 1.1899999999999999 109.581 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.741 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 14.2 mt -42.51 -26.76 0.13 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.178 -0.951 . . . . 0.81999999999999995 109.02 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.677 ' O ' ' O ' ' A' ' 73' ' ' LYS . 29.6 mtpt -71.1 -80.3 0.06 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.536 -0.728 . . . . 1.6200000000000001 110.065 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.635 ' HD3' ' O ' ' A' ' 67' ' ' GLN . 1.1 mptp? -47.74 -20.87 0.32 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.654 -1.278 . . . . 3.8599999999999999 108.308 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.458 ' N ' ' C ' ' A' ' 70' ' ' LYS . 2.7 mt-10 -77.02 -36.09 56.51 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 106.466 -1.679 . . . . 2.46 106.466 177.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.741 ' HG3' ' O ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -157.56 175.92 13.31 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.982 0.896 . . . . 2.1400000000000001 110.407 179.357 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.761 ' HA2' HG11 ' A' ' 50' ' ' VAL . . . 68.38 -11.03 1.19 Allowed Glycine 0 N--CA 1.484 1.841 0 N-CA-C 109.932 -1.267 . . . . 2.1800000000000002 109.932 178.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.45 ' H ' ' C ' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -78.11 -18.74 55.29 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 120.659 -1.495 . . . . 3.7599999999999998 109.119 179.743 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.433 ' N ' ' HG ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.498 1.964 0 O-C-N 121.001 -1.062 . . . . 6.0899999999999999 109.367 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.409 0.624 . . . . 3.78 109.323 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.862 HD23 ' HA ' ' A' ' 47' ' ' PHE . 1.9 mp -64.31 100.19 0.33 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.462 -0.774 . . . . 1.27 110.471 -179.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.56 ' O ' ' C ' ' A' ' 44' ' ' ASP . 0.1 OUTLIER -63.14 154.23 31.78 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.03 -1.1 . . . . 1.93 108.03 178.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.56 ' C ' ' O ' ' A' ' 43' ' ' SER . 1.9 m-20 -33.48 -75.64 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.072 -1.017 . . . . 2.25 110.147 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 44' ' ' ASP . 6.7 mt-10 -36.21 -64.39 0.33 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.332 -0.855 . . . . 2.71 111.069 -179.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.567 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -47.25 -56.98 5.71 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.902 -1.124 . . . . 1.81 109.608 -178.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.931 ' CE1' ' CD2' ' A' ' 51' ' ' PHE . 30.7 t80 -42.58 -56.94 2.89 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.093 -1.005 . . . . 1.38 108.381 178.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -35.82 -63.24 0.38 Allowed 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 115.327 -0.851 . . . . 3.63 110.2 -179.604 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.38 39.36 0.39 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.05 -1.031 . . . . 1.31 110.036 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.761 HG11 ' HA2' ' A' ' 74' ' ' GLY . 74.6 t -140.77 -78.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 O-C-N 121.16 -0.962 . . . . 0.87 109.779 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.931 ' CD2' ' CE1' ' A' ' 47' ' ' PHE . 98.6 m-85 -79.65 -72.8 0.38 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.027 -1.046 . . . . 1.37 109.303 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.29 -54.94 0.43 Allowed Glycine 0 N--CA 1.487 2.087 0 N-CA-C 107.994 -2.042 . . . . 0.83 107.994 -179.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.4 mtt -90.62 -121.66 0.07 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.504 -0.998 . . . . 2.02 108.853 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.5 ' C ' ' CZ ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -125.36 162.5 24.64 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.987 -1.07 . . . . 1.27 108.726 179.248 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.641 ' HG3' ' CE1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -67.22 -43.2 82.63 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 107.294 -1.373 . . . . 1.17 107.294 179.151 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.35 -59.56 4.42 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.246 -1.02 . . . . 1.74 108.246 178.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.47 ' HA ' ' OD1' ' A' ' 60' ' ' ASN . . . -61.66 -37.04 82.6 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.165 -1.05 . . . . 0.73 108.165 178.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.545 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 32.6 t80 -50.72 -28.1 8.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.519 -0.738 . . . . 1.36 109.681 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.39 28.94 0.7 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.308 -0.87 . . . . 0.88 109.906 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.47 ' OD1' ' HA ' ' A' ' 57' ' ' ALA . 7.3 m120 -107.86 -15.93 14.43 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.054 -1.029 . . . . 1.59 109.016 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.691 ' HB3' ' HD2' ' A' ' 62' ' ' PRO . 0.2 OUTLIER -79.52 172.29 10.26 Favored Pre-proline 0 N--CA 1.491 1.582 0 N-CA-C 108.162 -1.051 . . . . 1.43 108.162 179.129 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.691 ' HD2' ' HB3' ' A' ' 61' ' ' LEU . 4.3 Cg_exo -58.26 146.67 88.08 Favored 'Trans proline' 0 C--N 1.309 -1.504 0 C-N-CA 121.806 1.671 . . . . 0.86 109.996 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.84 -41.09 70.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.251 -0.906 . . . . 1.69 110.131 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.643 ' CE2' ' HB2' ' A' ' 62' ' ' PRO . 47.8 p-90 -67.46 -30.48 70.2 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.601 -1.259 . . . . 1.1 107.601 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.565 ' HE3' ' HG ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -72.44 -26.81 61.98 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.829 -1.174 . . . . 1.6 107.829 178.287 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.61 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 15.9 mt-30 -68.88 -77.13 0.08 Allowed 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 108.459 -0.941 . . . . 0.85 108.459 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.635 ' O ' ' HD3' ' A' ' 71' ' ' LYS . 75.9 mt-30 -37.79 -36.61 0.19 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.786 -0.571 . . . . 2.15 109.57 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 70' ' ' LYS . 20.2 m-20 -67.77 -73.49 0.14 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.077 -1.014 . . . . 1.19 109.581 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.741 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 14.2 mt -42.51 -26.76 0.13 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.178 -0.951 . . . . 0.82 109.02 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.677 ' O ' ' O ' ' A' ' 73' ' ' LYS . 29.6 mtpt -71.1 -80.3 0.06 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.536 -0.728 . . . . 1.62 110.065 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.635 ' HD3' ' O ' ' A' ' 67' ' ' GLN . 1.1 mptp? -47.74 -20.87 0.32 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.654 -1.278 . . . . 3.86 108.308 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.458 ' N ' ' C ' ' A' ' 70' ' ' LYS . 2.7 mt-10 -77.02 -36.09 56.51 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 106.466 -1.679 . . . . 2.46 106.466 177.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.741 ' HG3' ' O ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -157.56 175.92 13.31 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.982 0.896 . . . . 2.14 110.407 179.357 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.761 ' HA2' HG11 ' A' ' 50' ' ' VAL . . . 68.38 -11.03 1.19 Allowed Glycine 0 N--CA 1.484 1.841 0 N-CA-C 109.932 -1.267 . . . . 2.18 109.932 178.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.45 ' H ' ' C ' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -78.11 -18.74 55.29 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 120.659 -1.495 . . . . 3.76 109.119 179.743 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.433 ' N ' ' HG ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.498 1.964 0 O-C-N 121.001 -1.062 . . . . 6.09 109.367 178.849 . . . . . . . . 2 2 . 1 stop_ save_