data_1k48_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 1k48 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.0 -35.05 2.19 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.46 1.1 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.3 mt -66.26 116.71 36.18 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.505 0.768 . . . . 0.0 109.267 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 62.34 5.87 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.512 1.796 . . . . 0.0 110.952 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.6 m -135.94 21.01 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.6 t -59.47 -42.72 92.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 108.317 -179.995 175.323 -170.254 82.668 83.519 1.98 176.532 -75.567 93.567 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.404 ' C ' ' OE1' ' A' ' 15' ' ' GLU . . . 94.47 -6.19 71.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.465 ' O ' ' CG1' ' A' ' 33' ' ' VAL . 0.9 OUTLIER -120.08 161.47 20.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 0.771 . . . . 0.0 110.315 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.425 ' CG2' ' O ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -114.79 174.46 5.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.604 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 12.6 p -153.79 67.6 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 108.32 -179.998 52.634 147.242 94.209 91.933 2.108 103.772 59.287 172.828 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.531 HG12 ' CZ2' ' A' ' 31' ' ' TRP . 3.0 t -74.75 -22.09 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.95 -8.32 54.22 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.25 20.94 21.61 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.441 ' O ' ' CG2' ' A' ' 21' ' ' THR . 0.7 OUTLIER -142.04 97.21 3.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.776 . . . . 0.0 110.398 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 23' ' ' ASN . 3.2 p -48.11 -36.69 13.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 108.306 -179.991 44.226 -173.48 -100.894 85.705 2.058 129.292 -128.396 107.365 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 22' ' ' CYS . 4.8 t-20 82.83 -7.96 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.419 ' OG1' ' HD2' ' A' ' 25' ' ' PRO . 7.2 t -115.36 146.78 37.22 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.419 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 26' ' ' GLY . 18.3 Cg_endo -74.97 176.18 10.25 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.502 1.791 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 25' ' ' PRO . . . 35.44 45.52 0.7 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.431 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 0.1 OUTLIER -120.94 169.69 10.22 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.924 107.365 -128.396 -100.894 129.292 2.058 85.705 -173.48 44.226 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.503 ' CG2' ' O ' ' A' ' 28' ' ' THR . 1.1 m -138.58 70.96 1.38 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 28' ' ' THR . 30.4 t -39.32 114.11 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 108.271 179.94 172.828 59.287 94.209 103.772 2.108 91.933 147.242 52.634 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 31' ' ' TRP . 6.4 t -119.94 -12.31 9.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.023 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.63 ' CE3' ' HA ' ' A' ' 32' ' ' PRO . 0.0 OUTLIER 62.26 137.04 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.63 ' HA ' ' CE3' ' A' ' 31' ' ' TRP . 18.4 Cg_endo -74.94 -21.39 15.31 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.964 -0.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.465 ' CG1' ' O ' ' A' ' 15' ' ' GLU . 1.6 t -111.76 147.71 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.431 ' SG ' ' HB2' ' A' ' 27' ' ' CYS . 0.5 OUTLIER -75.86 167.06 22.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 108.263 -179.993 93.567 -75.567 82.668 176.532 1.98 83.519 -170.254 175.323 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 28' ' ' THR . 33.4 p -132.9 171.33 14.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.562 1.164 . . . . 0.0 110.398 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.0 -35.05 2.19 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.46 1.1 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.3 mt -66.26 116.71 36.18 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.505 0.768 . . . . 0.0 109.267 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.773 ' HA ' HG22 ' A' ' 35' ' ' THR . 18.2 Cg_endo -75.03 62.34 5.87 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.512 1.796 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.6 m -135.94 21.01 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.5 ' SG ' HG21 ' A' ' 24' ' ' THR . 39.6 t -59.47 -42.72 92.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 108.317 -179.995 175.323 -170.254 82.668 83.519 1.98 176.532 -75.567 93.567 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.404 ' C ' ' OE1' ' A' ' 15' ' ' GLU . . . 94.47 -6.19 71.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.557 ' O ' HG12 ' A' ' 33' ' ' VAL . 0.9 OUTLIER -120.08 161.47 20.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 0.771 . . . . 0.0 110.315 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.742 HG22 ' O ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -114.79 174.46 5.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.604 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 12.6 p -153.79 67.6 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 108.32 -179.998 52.634 147.242 94.209 91.933 2.108 103.772 59.287 172.828 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.68 HG13 ' CZ2' ' A' ' 31' ' ' TRP . 3.0 t -74.75 -22.09 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.95 -8.32 54.22 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.25 20.94 21.61 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.614 HG22 ' O ' ' A' ' 21' ' ' THR . 0.7 OUTLIER -142.04 97.21 3.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.776 . . . . 0.0 110.398 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.596 ' HB2' HG22 ' A' ' 24' ' ' THR . 3.2 p -48.11 -36.69 13.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 108.306 -179.991 44.226 -173.48 -100.894 85.705 2.058 129.292 -128.396 107.365 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 22' ' ' CYS . 4.8 t-20 82.83 -7.96 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.596 HG22 ' HB2' ' A' ' 22' ' ' CYS . 7.2 t -115.36 146.78 37.22 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.419 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 26' ' ' GLY . 18.3 Cg_endo -74.97 176.18 10.25 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.502 1.791 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 25' ' ' PRO . . . 35.44 45.52 0.7 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.573 ' HB3' HG23 ' A' ' 24' ' ' THR . 0.1 OUTLIER -120.94 169.69 10.22 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.924 107.365 -128.396 -100.894 129.292 2.058 85.705 -173.48 44.226 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.744 ' O ' HG22 ' A' ' 28' ' ' THR . 1.1 m -138.58 70.96 1.38 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 28' ' ' THR . 30.4 t -39.32 114.11 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 108.271 179.94 172.828 59.287 94.209 103.772 2.108 91.933 147.242 52.634 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 31' ' ' TRP . 6.4 t -119.94 -12.31 9.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.023 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.68 ' CZ2' HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER 62.26 137.04 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.742 ' O ' HG22 ' A' ' 16' ' ' THR . 18.4 Cg_endo -74.94 -21.39 15.31 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.964 -0.044 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 15' ' ' GLU . 1.6 t -111.76 147.71 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.43 ' SG ' ' HB2' ' A' ' 27' ' ' CYS . 0.5 OUTLIER -75.86 167.06 22.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 108.263 -179.993 93.567 -75.567 82.668 176.532 1.98 83.519 -170.254 175.323 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.773 HG22 ' HA ' ' A' ' 11' ' ' PRO . 33.4 p -132.9 171.33 14.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.562 1.164 . . . . 0.0 110.398 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.0 -35.05 2.19 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.46 1.1 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.3 mt -66.26 116.71 36.18 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.505 0.768 . . . . 0.0 109.267 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.773 ' HA ' HG22 ' A' ' 35' ' ' THR . 18.2 Cg_endo -75.03 62.34 5.87 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.512 1.796 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.6 m -135.94 21.01 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.5 ' SG ' HG21 ' A' ' 24' ' ' THR . 39.6 t -59.47 -42.72 92.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 108.317 -179.995 175.323 -170.254 82.668 83.519 1.98 176.532 -75.567 93.567 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.404 ' C ' ' OE1' ' A' ' 15' ' ' GLU . . . 94.47 -6.19 71.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.557 ' O ' HG12 ' A' ' 33' ' ' VAL . 0.9 OUTLIER -120.08 161.47 20.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 0.771 . . . . 0.0 110.315 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.742 HG22 ' O ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -114.79 174.46 5.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.604 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 12.6 p -153.79 67.6 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 108.32 -179.998 52.634 147.242 94.209 91.933 2.108 103.772 59.287 172.828 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.68 HG13 ' CZ2' ' A' ' 31' ' ' TRP . 3.0 t -74.75 -22.09 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.95 -8.32 54.22 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.25 20.94 21.61 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.614 HG22 ' O ' ' A' ' 21' ' ' THR . 0.7 OUTLIER -142.04 97.21 3.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.776 . . . . 0.0 110.398 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.596 ' HB2' HG22 ' A' ' 24' ' ' THR . 3.2 p -48.11 -36.69 13.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 108.306 -179.991 44.226 -173.48 -100.894 85.705 2.058 129.292 -128.396 107.365 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 22' ' ' CYS . 4.8 t-20 82.83 -7.96 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.596 HG22 ' HB2' ' A' ' 22' ' ' CYS . 7.2 t -115.36 146.78 37.22 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.419 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 26' ' ' GLY . 18.3 Cg_endo -74.97 176.18 10.25 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.502 1.791 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 25' ' ' PRO . . . 35.44 45.52 0.7 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.573 ' HB3' HG23 ' A' ' 24' ' ' THR . 0.1 OUTLIER -120.94 169.69 10.22 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.924 107.365 -128.396 -100.894 129.292 2.058 85.705 -173.48 44.226 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.744 HG22 ' O ' ' A' ' 28' ' ' THR . 1.1 m -138.58 70.96 1.38 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 28' ' ' THR . 30.4 t -39.32 114.11 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 108.271 179.94 172.828 59.287 94.209 103.772 2.108 91.933 147.242 52.634 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 31' ' ' TRP . 6.4 t -119.94 -12.31 9.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.023 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.68 ' CZ2' HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER 62.26 137.04 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.742 ' O ' HG22 ' A' ' 16' ' ' THR . 18.4 Cg_endo -74.94 -21.39 15.31 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.964 -0.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 15' ' ' GLU . 1.6 t -111.76 147.71 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.43 ' SG ' ' HB2' ' A' ' 27' ' ' CYS . 0.5 OUTLIER -75.86 167.06 22.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 108.263 -179.993 93.567 -75.567 82.668 176.532 1.98 83.519 -170.254 175.323 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.773 HG22 ' HA ' ' A' ' 11' ' ' PRO . 33.4 p -132.9 171.33 14.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.562 1.164 . . . . 0.0 110.398 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -179.994 . . . . . . . . 0 0 . 1 stop_ save_