data_1ncp_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 1ncp _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 ' N' N ' 1' ' ' VAL . . . . . 0.605 ' HB ' ' O ' ' C' ' 22' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.803 0 N-CA-C 109.33 -0.619 . . . . 2.1400000000000001 109.33 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 2' ' ' LYS . . . . . 0.494 ' HB2' ' HB3' ' C' ' 22' ' ' LYS . 5.9 mttt -106.64 106.38 16.88 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 119.815 -0.754 . . . . 4.04 110.276 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 3' ' ' CYS . . . . . . . . . . . . . 3.3 t -99.5 149.26 23.4 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.426 -0.91 . . . . 0.53000000000000003 110.238 -179.943 162.893 113.335 10.587 130.769 0.182 50.065 -54.81 165.061 1 1 . 1 . 001 nuclear orig full ' N' N ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.58 -10.98 16.54 Favored 'General case' 0 N--CA 1.497 1.919 0 C-N-CA 119.803 -0.759 . . . . 4.3300000000000001 110.915 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 5' ' ' ASN . . . . . 0.421 ' OD1' ' OXT' ' N' ' 17' ' ' ARG . 0.7 OUTLIER -90.41 -69.35 0.73 Allowed 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 119.094 -1.043 . . . . 1.98 110.827 -179.274 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' N' N ' 6' ' ' CYS . . . . . 0.614 ' SG ' ' HB2' ' C' ' 29' ' ' LYS . 14.8 p -91.49 -44.32 9.17 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 119.158 -1.017 . . . . 0.5 110.314 -179.575 74.565 -126.15 5.343 60.007 0.393 114.391 44.822 71.743 2 2 . 1 . 001 nuclear orig full ' N' N ' 7' ' ' GLY . . . . . 0.557 ' HA2' ' O ' ' C' ' 24' ' ' CYS . . . 100.54 30.56 6.15 Favored Glycine 0 N--CA 1.495 2.632 0 C-N-CA 119.447 -1.359 . . . . 0.64000000000000001 111.561 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 8' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -86.79 148.14 25.53 Favored 'General case' 0 N--CA 1.496 1.834 0 C-N-CA 118.973 -1.091 . . . . 2.98 109.812 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 9' ' ' GLU . . . . . 0.636 ' O ' ' O ' ' C' ' 30' ' ' GLU . 32.7 mt-10 -93.84 77.21 4.22 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 119.286 -0.965 . . . . 2.1699999999999999 110.18 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -166.07 -42.78 0.02 OUTLIER Glycine 0 N--CA 1.488 2.145 0 C-N-CA 119.122 -1.513 . . . . 0.63 110.848 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 11' ' ' HIS . . . . . 0.565 ' HD2' ' O ' ' C' ' 33' ' ' GLN . 9.8 p-80 -119.24 -175.66 2.97 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 119.804 -0.758 . . . . 0.68999999999999995 110.853 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 12' ' ' THR . . . . . 0.694 HG22 ' NE2' ' C' ' 33' ' ' GLN . 35.4 p -118.79 172.77 7.29 Favored 'General case' 0 N--CA 1.499 2.005 0 CA-C-N 115.676 -0.693 . . . . 1.3899999999999999 110.367 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 13' ' ' ALA . . . . . 0.402 ' H ' ' HG2' ' C' ' 34' ' ' MET . . . -68.45 29.33 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.898 0 C-N-CA 119.589 -0.844 . . . . 1.22 111.346 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 14' ' ' ARG . . . . . 0.54 ' H ' ' C ' ' N' ' 12' ' ' THR . 0.1 OUTLIER -98.03 -54.27 3.13 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 119.35 -0.94 . . . . 3.9500000000000002 110.7 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' N' N ' 15' ' ' ASN . . . . . 0.693 ' ND2' ' OD2' ' C' ' 36' ' ' ASP . 1.0 OUTLIER -108.62 43.71 1.21 Allowed 'General case' 0 N--CA 1.506 2.35 0 C-N-CA 119.394 -0.922 . . . . 2.4100000000000001 111.508 -179.508 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' N' N ' 16' ' ' CYS . . . . . . . . . . . . . 20.1 t -113.38 -178.62 3.42 Favored 'General case' 0 N--CA 1.505 2.291 0 C-N-CA 119.415 -0.914 . . . . 1.23 109.701 179.072 -168.463 -59.558 5.908 57.07 0.339 120.107 92.502 -175.191 1 1 . 1 . 001 nuclear orig full ' N' N ' 17' ' ' ARG . . . . . 0.962 ' OXT' ' HD3' ' C' ' 26' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 116.259 -1.829 . . . . 7.8600000000000003 110.0 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . 0.605 ' O ' ' HB ' ' N' ' 1' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 109.455 -0.572 . . . . 5.9000000000000004 109.455 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -175.21 -124.75 0.82 Allowed Glycine 0 N--CA 1.486 1.968 0 C-N-CA 119.458 -1.354 . . . . 1.4299999999999999 110.223 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' CYS . . . . . 0.557 ' O ' ' HA2' ' N' ' 7' ' ' GLY . 5.7 t -105.39 132.39 51.63 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 119.873 -0.731 . . . . 0.53000000000000003 110.343 -179.914 165.061 -54.81 10.587 50.065 0.182 130.769 113.335 162.893 2 2 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -89.63 2.71 54.38 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 119.234 -0.986 . . . . 2.0600000000000001 110.062 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . 0.962 ' HD3' ' OXT' ' N' ' 17' ' ' ARG . 5.9 tttt -99.73 -70.52 0.73 Allowed 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 119.543 -0.863 . . . . 2.6200000000000001 110.596 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' CYS . . . . . . . . . . . . . 17.6 p -92.73 -26.12 17.9 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.066 -1.054 . . . . 0.62 110.681 -179.56 71.743 44.822 5.343 114.391 0.393 60.007 -126.15 74.565 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.4 -31.07 9.03 Favored Glycine 0 N--CA 1.504 3.214 0 C-N-CA 119.472 -1.347 . . . . 0.75 112.805 177.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . 0.614 ' HB2' ' SG ' ' N' ' 6' ' ' CYS . 0.2 OUTLIER -41.91 122.4 2.06 Favored 'General case' 0 N--CA 1.506 2.347 0 C-N-CA 119.367 -0.933 . . . . 3.2599999999999998 110.475 -179.303 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' GLU . . . . . 0.636 ' O ' ' O ' ' N' ' 9' ' ' GLU . 0.0 OUTLIER -84.56 97.58 9.66 Favored 'General case' 0 C--N 1.307 -1.257 0 C-N-CA 119.128 -1.029 . . . . 2.3799999999999999 109.235 179.307 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.86 -66.07 0.06 OUTLIER Glycine 0 N--CA 1.49 2.298 0 N-CA-C 108.651 -1.78 . . . . 0.81999999999999995 108.651 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' HIS . . . . . 0.519 ' C ' ' CD2' ' N' ' 11' ' ' HIS . 47.7 p-80 -94.27 158.83 15.4 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.185 -1.043 . . . . 0.82999999999999996 108.185 178.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . 0.694 ' NE2' HG22 ' N' ' 12' ' ' THR . 23.4 mt-30 -79.02 -127.62 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.005 0 C-N-CA 119.161 -1.016 . . . . 2.8799999999999999 110.77 -178.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' MET . . . . . 0.402 ' HG2' ' H ' ' N' ' 13' ' ' ALA . 6.7 ptt? -130.11 22.34 5.28 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.924 -0.769 . . . . 2.54 108.924 178.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' LYS . . . . . 0.434 ' HG3' HH11 ' N' ' 14' ' ' ARG . 5.1 mttt -101.48 -43.75 5.82 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 115.152 -0.931 . . . . 3.6400000000000001 109.815 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' ASP . . . . . 0.693 ' OD2' ' ND2' ' N' ' 15' ' ' ASN . 4.8 t0 -109.02 48.46 0.86 Allowed 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 115.638 -0.71 . . . . 2.1099999999999999 110.695 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' CYS . . . . . 0.814 ' O ' ' CG ' ' N' ' 17' ' ' ARG . 44.5 t -102.76 51.92 0.8 Allowed 'General case' 0 N--CA 1.498 1.934 0 C-N-CA 119.519 -0.873 . . . . 1.3500000000000001 110.33 179.875 -175.191 92.502 5.908 120.107 0.339 57.07 -59.558 -168.463 2 2 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' THR . . . . . 0.467 ' H ' ' HG1' ' C' ' 38' ' ' THR . 27.3 p -88.94 8.87 27.23 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 119.296 -0.962 . . . . 3.6499999999999999 109.945 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 116.359 -1.781 . . . . 6.1600000000000001 110.181 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' N' N ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 61' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' N' N ' 1' ' ' VAL . . . . . 0.619 ' HB ' ' O ' ' C' ' 22' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.803 0 N-CA-C 109.33 -0.619 . . . . 1.55 109.33 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 2' ' ' LYS . . . . . 0.471 ' HB2' ' HB3' ' C' ' 22' ' ' LYS . 5.9 mttt -106.64 106.38 16.88 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 119.815 -0.754 . . . . 3.5499999999999998 110.276 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 3' ' ' CYS . . . . . . . . . . . . . 3.3 t -99.5 149.26 23.4 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.426 -0.91 . . . . 0.53000000000000003 110.238 -179.943 162.893 113.335 10.587 130.769 0.182 50.065 -54.81 165.061 1 1 . 1 . 001 nuclear build full ' N' N ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.58 -10.98 16.54 Favored 'General case' 0 N--CA 1.497 1.919 0 C-N-CA 119.803 -0.759 . . . . 3.4399999999999999 110.915 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 5' ' ' ASN . . . . . 0.421 ' OD1' ' OXT' ' N' ' 17' ' ' ARG . 0.7 OUTLIER -90.41 -69.35 0.73 Allowed 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 119.094 -1.043 . . . . 1.79 110.827 -179.274 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' N' N ' 6' ' ' CYS . . . . . 0.632 ' SG ' ' HB2' ' C' ' 29' ' ' LYS . 14.8 p -91.49 -44.32 9.17 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 119.158 -1.017 . . . . 0.5 110.314 -179.575 74.565 -126.15 5.343 60.007 0.393 114.391 44.822 71.743 2 2 . 1 . 001 nuclear build full ' N' N ' 7' ' ' GLY . . . . . 0.563 ' HA2' ' O ' ' C' ' 24' ' ' CYS . . . 100.54 30.56 6.15 Favored Glycine 0 N--CA 1.495 2.632 0 C-N-CA 119.447 -1.359 . . . . 0.64000000000000001 111.561 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 8' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -86.79 148.14 25.53 Favored 'General case' 0 N--CA 1.496 1.834 0 C-N-CA 118.973 -1.091 . . . . 2.2999999999999998 109.812 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 9' ' ' GLU . . . . . 0.636 ' O ' ' O ' ' C' ' 30' ' ' GLU . 32.7 mt-10 -93.84 77.21 4.22 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 119.286 -0.965 . . . . 2.1699999999999999 110.18 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -166.07 -42.78 0.02 OUTLIER Glycine 0 N--CA 1.488 2.145 0 C-N-CA 119.122 -1.513 . . . . 0.63 110.848 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 11' ' ' HIS . . . . . 0.569 ' HD2' ' O ' ' C' ' 33' ' ' GLN . 9.8 p-80 -119.24 -175.66 2.97 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 119.804 -0.758 . . . . 0.68999999999999995 110.853 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 12' ' ' THR . . . . . 0.557 HG21 ' NE2' ' C' ' 33' ' ' GLN . 35.4 p -118.79 172.77 7.29 Favored 'General case' 0 N--CA 1.499 2.005 0 CA-C-N 115.676 -0.693 . . . . 1.0800000000000001 110.367 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 13' ' ' ALA . . . . . 0.48 ' H ' ' HG2' ' C' ' 34' ' ' MET . . . -68.45 29.33 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.898 0 C-N-CA 119.589 -0.844 . . . . 1.04 111.346 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 14' ' ' ARG . . . . . 0.525 ' H ' ' C ' ' N' ' 12' ' ' THR . 0.1 OUTLIER -98.03 -54.27 3.13 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 119.35 -0.94 . . . . 3.3300000000000001 110.7 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' N' N ' 15' ' ' ASN . . . . . 0.693 ' ND2' ' OD2' ' C' ' 36' ' ' ASP . 1.0 OUTLIER -108.62 43.71 1.21 Allowed 'General case' 0 N--CA 1.506 2.35 0 C-N-CA 119.394 -0.922 . . . . 1.78 111.508 -179.508 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' N' N ' 16' ' ' CYS . . . . . . . . . . . . . 20.1 t -113.38 -178.62 3.42 Favored 'General case' 0 N--CA 1.505 2.291 0 C-N-CA 119.415 -0.914 . . . . 1.23 109.701 179.072 -168.463 -59.558 5.908 57.07 0.339 120.107 92.502 -175.191 1 1 . 1 . 001 nuclear build full ' N' N ' 17' ' ' ARG . . . . . 0.972 ' OXT' ' HD3' ' C' ' 26' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 116.259 -1.829 . . . . 7.0499999999999998 110.0 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.619 ' O ' ' HB ' ' N' ' 1' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 109.455 -0.572 . . . . 5.4199999999999999 109.455 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -175.21 -124.75 0.82 Allowed Glycine 0 N--CA 1.486 1.968 0 C-N-CA 119.458 -1.354 . . . . 1.1399999999999999 110.223 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' CYS . . . . . 0.563 ' O ' ' HA2' ' N' ' 7' ' ' GLY . 5.7 t -105.39 132.39 51.63 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 119.873 -0.731 . . . . 0.47999999999999998 110.343 -179.914 165.061 -54.81 10.587 50.065 0.182 130.769 113.335 162.893 2 2 . 1 . 001 nuclear build full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -89.63 2.71 54.38 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 119.234 -0.986 . . . . 1.8 110.062 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 26' ' ' LYS . . . . . 0.972 ' HD3' ' OXT' ' N' ' 17' ' ' ARG . 5.9 tttt -99.73 -70.52 0.73 Allowed 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 119.543 -0.863 . . . . 2.1600000000000001 110.596 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 27' ' ' CYS . . . . . . . . . . . . . 17.6 p -92.73 -26.12 17.9 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.066 -1.054 . . . . 0.62 110.681 -179.56 71.743 44.822 5.343 114.391 0.393 60.007 -126.15 74.565 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.4 -31.07 9.03 Favored Glycine 0 N--CA 1.504 3.214 0 C-N-CA 119.472 -1.347 . . . . 0.75 112.805 177.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' LYS . . . . . 0.632 ' HB2' ' SG ' ' N' ' 6' ' ' CYS . 0.2 OUTLIER -41.91 122.4 2.06 Favored 'General case' 0 N--CA 1.506 2.347 0 C-N-CA 119.367 -0.933 . . . . 2.7999999999999998 110.475 -179.303 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 30' ' ' GLU . . . . . 0.636 ' O ' ' O ' ' N' ' 9' ' ' GLU . 0.0 OUTLIER -84.56 97.58 9.66 Favored 'General case' 0 C--N 1.307 -1.257 0 C-N-CA 119.128 -1.029 . . . . 2.3799999999999999 109.235 179.307 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.86 -66.07 0.06 OUTLIER Glycine 0 N--CA 1.49 2.298 0 N-CA-C 108.651 -1.78 . . . . 0.81999999999999995 108.651 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' HIS . . . . . 0.519 ' C ' ' CD2' ' N' ' 11' ' ' HIS . 47.7 p-80 -94.27 158.83 15.4 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.185 -1.043 . . . . 0.82999999999999996 108.185 178.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 33' ' ' GLN . . . . . 0.569 ' O ' ' HD2' ' N' ' 11' ' ' HIS . 23.4 mt-30 -79.02 -127.62 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.005 0 C-N-CA 119.161 -1.016 . . . . 2.4199999999999999 110.77 -178.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 34' ' ' MET . . . . . 0.48 ' HG2' ' H ' ' N' ' 13' ' ' ALA . 6.7 ptt? -130.11 22.34 5.28 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.924 -0.769 . . . . 2.04 108.924 178.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 35' ' ' LYS . . . . . 0.454 ' HG3' HH11 ' N' ' 14' ' ' ARG . 5.1 mttt -101.48 -43.75 5.82 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 115.152 -0.931 . . . . 3.2799999999999998 109.815 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 36' ' ' ASP . . . . . 0.693 ' OD2' ' ND2' ' N' ' 15' ' ' ASN . 4.8 t0 -109.02 48.46 0.86 Allowed 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 115.638 -0.71 . . . . 2.1099999999999999 110.695 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 37' ' ' CYS . . . . . 0.814 ' O ' ' CG ' ' N' ' 17' ' ' ARG . 44.5 t -102.76 51.92 0.8 Allowed 'General case' 0 N--CA 1.498 1.934 0 C-N-CA 119.519 -0.873 . . . . 1.3500000000000001 110.33 179.875 -175.191 92.502 5.908 120.107 0.339 57.07 -59.558 -168.463 2 2 . 1 . 001 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 27.3 p -88.94 8.87 27.23 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 119.296 -0.962 . . . . 3.23 109.945 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 116.359 -1.781 . . . . 6.1600000000000001 110.181 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' N' N ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 61' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' N' N ' 1' ' ' VAL . . . . . 0.619 ' HB ' ' O ' ' C' ' 22' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.803 0 N-CA-C 109.33 -0.619 . . . . 1.55 109.33 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 2' ' ' LYS . . . . . 0.471 ' HB2' ' HB3' ' C' ' 22' ' ' LYS . 5.9 mttt -106.64 106.38 16.88 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 119.815 -0.754 . . . . 3.5499999999999998 110.276 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 3' ' ' CYS . . . . . . . . . . . . . 3.3 t -99.5 149.26 23.4 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.426 -0.91 . . . . 0.53000000000000003 110.238 -179.943 162.893 113.335 10.587 130.769 0.182 50.065 -54.81 165.061 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.58 -10.98 16.54 Favored 'General case' 0 N--CA 1.497 1.919 0 C-N-CA 119.803 -0.759 . . . . 3.4399999999999999 110.915 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 5' ' ' ASN . . . . . 0.421 ' OD1' ' OXT' ' N' ' 17' ' ' ARG . 0.7 OUTLIER -90.41 -69.35 0.73 Allowed 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 119.094 -1.043 . . . . 1.79 110.827 -179.274 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' N' N ' 6' ' ' CYS . . . . . 0.632 ' SG ' ' HB2' ' C' ' 29' ' ' LYS . 14.8 p -91.49 -44.32 9.17 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 119.158 -1.017 . . . . 0.5 110.314 -179.575 74.565 -126.15 5.343 60.007 0.393 114.391 44.822 71.743 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 7' ' ' GLY . . . . . 0.563 ' HA2' ' O ' ' C' ' 24' ' ' CYS . . . 100.54 30.56 6.15 Favored Glycine 0 N--CA 1.495 2.632 0 C-N-CA 119.447 -1.359 . . . . 0.64000000000000001 111.561 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 8' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -86.79 148.14 25.53 Favored 'General case' 0 N--CA 1.496 1.834 0 C-N-CA 118.973 -1.091 . . . . 2.2999999999999998 109.812 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 9' ' ' GLU . . . . . 0.636 ' O ' ' O ' ' C' ' 30' ' ' GLU . 32.7 mt-10 -93.84 77.21 4.22 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 119.286 -0.965 . . . . 2.1699999999999999 110.18 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -166.07 -42.78 0.02 OUTLIER Glycine 0 N--CA 1.488 2.145 0 C-N-CA 119.122 -1.513 . . . . 0.63 110.848 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 11' ' ' HIS . . . . . 0.569 ' HD2' ' O ' ' C' ' 33' ' ' GLN . 9.8 p-80 -119.24 -175.66 2.97 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 119.804 -0.758 . . . . 0.68999999999999995 110.853 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 12' ' ' THR . . . . . 0.557 HG21 ' NE2' ' C' ' 33' ' ' GLN . 35.4 p -118.79 172.77 7.29 Favored 'General case' 0 N--CA 1.499 2.005 0 CA-C-N 115.676 -0.693 . . . . 1.0800000000000001 110.367 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 13' ' ' ALA . . . . . 0.48 ' H ' ' HG2' ' C' ' 34' ' ' MET . . . -68.45 29.33 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.898 0 C-N-CA 119.589 -0.844 . . . . 1.04 111.346 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 14' ' ' ARG . . . . . 0.525 ' H ' ' C ' ' N' ' 12' ' ' THR . 0.1 OUTLIER -98.03 -54.27 3.13 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 119.35 -0.94 . . . . 3.3300000000000001 110.7 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' N' N ' 15' ' ' ASN . . . . . 0.693 ' ND2' ' OD2' ' C' ' 36' ' ' ASP . 1.0 OUTLIER -108.62 43.71 1.21 Allowed 'General case' 0 N--CA 1.506 2.35 0 C-N-CA 119.394 -0.922 . . . . 1.78 111.508 -179.508 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' N' N ' 16' ' ' CYS . . . . . . . . . . . . . 20.1 t -113.38 -178.62 3.42 Favored 'General case' 0 N--CA 1.505 2.291 0 C-N-CA 119.415 -0.914 . . . . 1.23 109.701 179.072 -168.463 -59.558 5.908 57.07 0.339 120.107 92.502 -175.191 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 17' ' ' ARG . . . . . 0.972 ' OXT' ' HD3' ' C' ' 26' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 116.259 -1.829 . . . . 7.0499999999999998 110.0 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.619 ' O ' ' HB ' ' N' ' 1' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 109.455 -0.572 . . . . 5.4199999999999999 109.455 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -175.21 -124.75 0.82 Allowed Glycine 0 N--CA 1.486 1.968 0 C-N-CA 119.458 -1.354 . . . . 1.1399999999999999 110.223 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' CYS . . . . . 0.563 ' O ' ' HA2' ' N' ' 7' ' ' GLY . 5.7 t -105.39 132.39 51.63 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 119.873 -0.731 . . . . 0.47999999999999998 110.343 -179.914 165.061 -54.81 10.587 50.065 0.182 130.769 113.335 162.893 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -89.63 2.71 54.38 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 119.234 -0.986 . . . . 1.8 110.062 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . 0.972 ' HD3' ' OXT' ' N' ' 17' ' ' ARG . 5.9 tttt -99.73 -70.52 0.73 Allowed 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 119.543 -0.863 . . . . 2.1600000000000001 110.596 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' CYS . . . . . . . . . . . . . 17.6 p -92.73 -26.12 17.9 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.066 -1.054 . . . . 0.62 110.681 -179.56 71.743 44.822 5.343 114.391 0.393 60.007 -126.15 74.565 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.4 -31.07 9.03 Favored Glycine 0 N--CA 1.504 3.214 0 C-N-CA 119.472 -1.347 . . . . 0.75 112.805 177.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . 0.632 ' HB2' ' SG ' ' N' ' 6' ' ' CYS . 0.2 OUTLIER -41.91 122.4 2.06 Favored 'General case' 0 N--CA 1.506 2.347 0 C-N-CA 119.367 -0.933 . . . . 2.7999999999999998 110.475 -179.303 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' GLU . . . . . 0.636 ' O ' ' O ' ' N' ' 9' ' ' GLU . 0.0 OUTLIER -84.56 97.58 9.66 Favored 'General case' 0 C--N 1.307 -1.257 0 C-N-CA 119.128 -1.029 . . . . 2.3799999999999999 109.235 179.307 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.86 -66.07 0.06 OUTLIER Glycine 0 N--CA 1.49 2.298 0 N-CA-C 108.651 -1.78 . . . . 0.81999999999999995 108.651 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' HIS . . . . . 0.519 ' C ' ' CD2' ' N' ' 11' ' ' HIS . 47.7 p-80 -94.27 158.83 15.4 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.185 -1.043 . . . . 0.82999999999999996 108.185 178.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . 0.569 ' O ' ' HD2' ' N' ' 11' ' ' HIS . 23.4 mt-30 -79.02 -127.62 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.005 0 C-N-CA 119.161 -1.016 . . . . 2.4199999999999999 110.77 -178.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' MET . . . . . 0.48 ' HG2' ' H ' ' N' ' 13' ' ' ALA . 6.7 ptt? -130.11 22.34 5.28 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.924 -0.769 . . . . 2.04 108.924 178.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' LYS . . . . . 0.454 ' HG3' HH11 ' N' ' 14' ' ' ARG . 5.1 mttt -101.48 -43.75 5.82 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 115.152 -0.931 . . . . 3.2799999999999998 109.815 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' ASP . . . . . 0.693 ' OD2' ' ND2' ' N' ' 15' ' ' ASN . 4.8 t0 -109.02 48.46 0.86 Allowed 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 115.638 -0.71 . . . . 2.1099999999999999 110.695 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' CYS . . . . . 0.814 ' O ' ' CG ' ' N' ' 17' ' ' ARG . 44.5 t -102.76 51.92 0.8 Allowed 'General case' 0 N--CA 1.498 1.934 0 C-N-CA 119.519 -0.873 . . . . 1.3500000000000001 110.33 179.875 -175.191 92.502 5.908 120.107 0.339 57.07 -59.558 -168.463 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 27.3 p -88.94 8.87 27.23 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 119.296 -0.962 . . . . 3.23 109.945 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 116.359 -1.781 . . . . 6.1600000000000001 110.181 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' N' N ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 61' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_