NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
527682 | 2lmq | 18131 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_2lmq save_NOE_Completeness _NOE_completeness_stats.Sf_category NOE_completeness_statistics _NOE_completeness_stats.Model_count 10 _NOE_completeness_stats.Residue_count 720 _NOE_completeness_stats.Total_atom_count 8550 _NOE_completeness_stats.Observable_atom_definition ob_standard _NOE_completeness_stats.Observable_atom_count 2970 _NOE_completeness_stats.Use_intra_residue_restraints no _NOE_completeness_stats.Redundancy_threshold_pct 5.0 _NOE_completeness_stats.Distance_averaging_power 1.00 _NOE_completeness_stats.Completeness_cutoff 4.00 _NOE_completeness_stats.Completeness_cumulative_pct 0.0 _NOE_completeness_stats.Constraint_unexpanded_count 951 _NOE_completeness_stats.Constraint_count 951 _NOE_completeness_stats.Constraint_exp_unfiltered_count 5549 _NOE_completeness_stats.Constraint_exceptional_count 0 _NOE_completeness_stats.Constraint_nonobservable_count 951 _NOE_completeness_stats.Constraint_intraresidue_count 0 _NOE_completeness_stats.Constraint_surplus_count 0 _NOE_completeness_stats.Constraint_observed_count 0 _NOE_completeness_stats.Constraint_expected_count 5549 _NOE_completeness_stats.Constraint_matched_count 0 _NOE_completeness_stats.Constraint_unmatched_count 0 _NOE_completeness_stats.Constraint_exp_nonobs_count 5549 _NOE_completeness_stats.Details ; A detailed methodology description is available at: http://nmr.cmbi.ru.nl/~jd/wattos/doc/Wattos/Soup/Constraint/dc_completeness.html Please note that the contributions in ambiguous restraints are considered separate 'restraints' for the sets defined below. The cut off for all statistics except those in the by-shell table is given below by the above tag: _NOE_completeness_stats.Completeness_cutoff Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * Number of models * 5 * Number of residues * 6 * Number of atoms * 7 * Standard set name of observable atom definitions see: Doreleijers et al., J.Biomol.NMR 14, 123-132 (1999). * 8 * Observable atom(group)s * 9 * Include intra residue restraints * 10 * Surplus threshold for determining redundant restraints * 11 * Power for averaging the distance over models * 12 * Up to what distance are NOEs expected * 13 * Cumulative completeness percentage * 14 * Number of unexpanded restraints in restraint list. * 15 * Number of restraints in restraint list. Set U * 16 * Expected restraints based on criteria in list. Set V Set V differs from set B only if intra residue restraints are analyzed. * 17 * Exceptional restraints, i.e. with an unknown atom.Set E * 18 * Not observable NOEs with e.g. hydroxyl Ser HG. Set O Even though restraints with these atom types might have been observed they are excluded from the analysis. * 19 * Intra-residue restraints if not to be analyzed. Set I * 20 * Surplus like double restraints. Set S * 21 * Observed restraints. Set A = U - (E u O u I u S) * 22 * Expected restraints based on criteria as in A. Set B = V - (I u S) * 23 * Observed restraints matched to the expected. Set M = A n B * 24 * Observed restraints that were not expected. Set C = A - M * 25 * Expected restraints that were not observed. Set D = B - M * 26 * This tag Description of the tags in the class table: * 1 * Class of restraint. Note that 'medium-range' involves (2<=i<=4) contacts. Possible values are: intraresidue,sequential,medium-range,long-range, and intermolecular. * 2 * Observed restraints. Set A = U - (E u O u I u S) * 3 * Expected restraints based on criteria as in A. Set B = V - (I u S) * 4 * Observed restraints matched to the expected. Set M = A n B * 5 * Completeness percentage * 6 * Standard deviation from the average over the classes. * 7 * Extra information * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the shell table. The first row shows the lower limit of the shells requested and The last row shows the total number of restraints over the shells. * 1 * Description of the content of the row: edges, shell, or sums. The value determines the meaning of the values to the nine 'Matched_shell_x' tags among others. * 2 * Lower limit of shell of expected restraints. * 3 * Upper limit of shell of expected restraints. * 4 * Expected restraints based on criteria as in A. Set B = V - (I u S) * 5 * Observed restraints matched to the expected. Set M = A n B * 6 * Matched restraints with experimental distance in shell 1 * 7 * Matched restraints with experimental distance in shell 2 * 8 * Matched restraints with experimental distance in shell 3 * 9 * Matched restraints with experimental distance in shell 4 * 10 * Matched restraints with experimental distance in shell 5 * 11 * Matched restraints with experimental distance in shell 6 * 12 * Matched restraints with experimental distance in shell 7 * 13 * Matched restraints with experimental distance in shell 8 * 14 * Matched restraints with experimental distance in shell 9 * 15 * Matched restraints overflowing the last shell * 16 * Completeness percentage for this shell * 17 * Completeness percentage up to upper limit of this shell * 18 * Administrative tag * 19 * Administrative tag Description of the tags in the residue table: * 1 * Chain identifier * 2 * Residue number * 3 * Residue name * 4 * Observable atom(group)s for this residue. * 5 * Observed restraints. Set A = U - (E u O u I u S) * 6 * Expected restraints based on criteria as in A. Set B = V - (I u S) * 7 * Observed restraints matched to the expected. Set M = A n B * 8 * Completeness percentage * 9 * Standard deviation from the average over the residues. * 10 * Extra information * 11 * Administrative tag * 12 * Administrative tag ; loop_ _NOE_completeness_class.Type _NOE_completeness_class.Constraint_observed_count _NOE_completeness_class.Constraint_expected_count _NOE_completeness_class.Constraint_matched_count _NOE_completeness_class.Completeness_cumulative_pct _NOE_completeness_class.Std_dev _NOE_completeness_class.Details intraresidue 0 0 0 . . "no intras" sequential 0 1904 0 0.0 . >sigma medium-range 0 435 0 0.0 . >sigma long-range 0 0 0 . . . intermolecular 0 3210 0 0.0 . >sigma stop_ loop_ _NOE_completeness_shell.Type _NOE_completeness_shell.Shell_start _NOE_completeness_shell.Shell_end _NOE_completeness_shell.Constraint_expected_count _NOE_completeness_shell.Constraint_matched_count _NOE_completeness_shell.Matched_shell_1 _NOE_completeness_shell.Matched_shell_2 _NOE_completeness_shell.Matched_shell_3 _NOE_completeness_shell.Matched_shell_4 _NOE_completeness_shell.Matched_shell_5 _NOE_completeness_shell.Matched_shell_6 _NOE_completeness_shell.Matched_shell_7 _NOE_completeness_shell.Matched_shell_8 _NOE_completeness_shell.Matched_shell_9 _NOE_completeness_shell.Matched_shell_overflow _NOE_completeness_shell.Completeness_shell_pct _NOE_completeness_shell.Completeness_cumulative_pct edges . . . . 2.00 2.50 3.00 3.50 4.00 4.50 5.00 5.50 . . . . shell 0.00 2.00 0 0 0 0 0 0 0 0 0 0 . 0 . . shell 2.00 2.50 594 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0 shell 2.50 3.00 886 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0 shell 3.00 3.50 1515 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0 shell 3.50 4.00 2554 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0 shell 4.00 4.50 4446 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0 shell 4.50 5.00 6058 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0 shell 5.00 5.50 8039 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0 shell 5.50 6.00 9392 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0 shell 6.00 6.50 10969 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0 shell 6.50 7.00 12439 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0 shell 7.00 7.50 13879 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0 shell 7.50 8.00 14901 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0 shell 8.00 8.50 16587 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0 shell 8.50 9.00 17515 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0 sums . . 119774 0 0 0 0 0 0 0 0 0 . 0 . . stop_ loop_ _NOE_completeness_comp.Entity_assembly_ID _NOE_completeness_comp.Comp_index_ID _NOE_completeness_comp.Comp_ID _NOE_completeness_comp.Obs_atom_count _NOE_completeness_comp.Constraint_observed_count _NOE_completeness_comp.Constraint_expected_count _NOE_completeness_comp.Constraint_matched_count _NOE_completeness_comp.Completeness_cumulative_pct _NOE_completeness_comp.Std_dev _NOE_completeness_comp.Details 1 9 GLY 3 0 3 0 0.0 . >sigma 1 10 TYR 6 0 6 0 0.0 . >sigma 1 11 GLU 5 0 7 0 0.0 . >sigma 1 12 VAL 5 0 9 0 0.0 . >sigma 1 13 HIS 6 0 7 0 0.0 . >sigma 1 14 HIS 6 0 10 0 0.0 . >sigma 1 15 GLN 7 0 10 0 0.0 . >sigma 1 16 LYS 7 0 14 0 0.0 . >sigma 1 17 LEU 7 0 21 0 0.0 . >sigma 1 18 VAL 5 0 18 0 0.0 . >sigma 1 19 PHE 7 0 21 0 0.0 . >sigma 1 20 PHE 7 0 15 0 0.0 . >sigma 1 21 ALA 3 0 12 0 0.0 . >sigma 1 22 GLU 5 0 12 0 0.0 . >sigma 1 23 ASP 4 0 7 0 0.0 . >sigma 1 24 VAL 5 0 11 0 0.0 . >sigma 1 25 GLY 3 0 8 0 0.0 . >sigma 1 26 SER 4 0 9 0 0.0 . >sigma 1 27 ASN 6 0 8 0 0.0 . >sigma 1 28 LYS 7 0 8 0 0.0 . >sigma 1 29 GLY 3 0 8 0 0.0 . >sigma 1 30 ALA 3 0 9 0 0.0 . >sigma 1 31 ILE 6 0 30 0 0.0 . >sigma 1 32 ILE 6 0 44 0 0.0 . >sigma 1 33 GLY 3 0 9 0 0.0 . >sigma 1 34 LEU 7 0 28 0 0.0 . >sigma 1 35 MET 6 0 21 0 0.0 . >sigma 1 36 VAL 5 0 41 0 0.0 . >sigma 1 37 GLY 3 0 5 0 0.0 . >sigma 1 38 GLY 3 0 12 0 0.0 . >sigma 1 39 VAL 5 0 19 0 0.0 . >sigma 1 40 VAL 5 0 11 0 0.0 . >sigma 2 9 GLY 3 0 3 0 0.0 . >sigma 2 10 TYR 6 0 6 0 0.0 . >sigma 2 11 GLU 5 0 6 0 0.0 . >sigma 2 12 VAL 5 0 14 0 0.0 . >sigma 2 13 HIS 6 0 8 0 0.0 . >sigma 2 14 HIS 6 0 13 0 0.0 . >sigma 2 15 GLN 7 0 14 0 0.0 . >sigma 2 16 LYS 7 0 32 0 0.0 . >sigma 2 17 LEU 7 0 29 0 0.0 . >sigma 2 18 VAL 5 0 34 0 0.0 . >sigma 2 19 PHE 7 0 28 0 0.0 . >sigma 2 20 PHE 7 0 24 0 0.0 . >sigma 2 21 ALA 3 0 17 0 0.0 . >sigma 2 22 GLU 5 0 17 0 0.0 . >sigma 2 23 ASP 4 0 6 0 0.0 . >sigma 2 24 VAL 5 0 12 0 0.0 . >sigma 2 25 GLY 3 0 9 0 0.0 . >sigma 2 26 SER 4 0 9 0 0.0 . >sigma 2 27 ASN 6 0 8 0 0.0 . >sigma 2 28 LYS 7 0 7 0 0.0 . >sigma 2 29 GLY 3 0 12 0 0.0 . >sigma 2 30 ALA 3 0 11 0 0.0 . >sigma 2 31 ILE 6 0 46 0 0.0 . >sigma 2 32 ILE 6 0 59 0 0.0 . >sigma 2 33 GLY 3 0 13 0 0.0 . >sigma 2 34 LEU 7 0 61 0 0.0 . >sigma 2 35 MET 6 0 33 0 0.0 . >sigma 2 36 VAL 5 0 50 0 0.0 . >sigma 2 37 GLY 3 0 11 0 0.0 . >sigma 2 38 GLY 3 0 12 0 0.0 . >sigma 2 39 VAL 5 0 28 0 0.0 . >sigma 2 40 VAL 5 0 9 0 0.0 . >sigma 3 9 GLY 3 0 3 0 0.0 . >sigma 3 10 TYR 6 0 7 0 0.0 . >sigma 3 11 GLU 5 0 7 0 0.0 . >sigma 3 12 VAL 5 0 21 0 0.0 . >sigma 3 13 HIS 6 0 13 0 0.0 . >sigma 3 14 HIS 6 0 12 0 0.0 . >sigma 3 15 GLN 7 0 14 0 0.0 . >sigma 3 16 LYS 7 0 42 0 0.0 . >sigma 3 17 LEU 7 0 51 0 0.0 . >sigma 3 18 VAL 5 0 35 0 0.0 . >sigma 3 19 PHE 7 0 57 0 0.0 . >sigma 3 20 PHE 7 0 34 0 0.0 . >sigma 3 21 ALA 3 0 16 0 0.0 . >sigma 3 22 GLU 5 0 16 0 0.0 . >sigma 3 23 ASP 4 0 9 0 0.0 . >sigma 3 24 VAL 5 0 12 0 0.0 . >sigma 3 25 GLY 3 0 9 0 0.0 . >sigma 3 26 SER 4 0 9 0 0.0 . >sigma 3 27 ASN 6 0 8 0 0.0 . >sigma 3 28 LYS 7 0 7 0 0.0 . >sigma 3 29 GLY 3 0 11 0 0.0 . >sigma 3 30 ALA 3 0 11 0 0.0 . >sigma 3 31 ILE 6 0 50 0 0.0 . >sigma 3 32 ILE 6 0 61 0 0.0 . >sigma 3 33 GLY 3 0 12 0 0.0 . >sigma 3 34 LEU 7 0 56 0 0.0 . >sigma 3 35 MET 6 0 32 0 0.0 . >sigma 3 36 VAL 5 0 46 0 0.0 . >sigma 3 37 GLY 3 0 10 0 0.0 . >sigma 3 38 GLY 3 0 9 0 0.0 . >sigma 3 39 VAL 5 0 17 0 0.0 . >sigma 3 40 VAL 5 0 9 0 0.0 . >sigma 4 9 GLY 3 0 3 0 0.0 . >sigma 4 10 TYR 6 0 7 0 0.0 . >sigma 4 11 GLU 5 0 7 0 0.0 . >sigma 4 12 VAL 5 0 22 0 0.0 . >sigma 4 13 HIS 6 0 11 0 0.0 . >sigma 4 14 HIS 6 0 12 0 0.0 . >sigma 4 15 GLN 7 0 26 0 0.0 . >sigma 4 16 LYS 7 0 42 0 0.0 . >sigma 4 17 LEU 7 0 65 0 0.0 . >sigma 4 18 VAL 5 0 39 0 0.0 . >sigma 4 19 PHE 7 0 68 0 0.0 . >sigma 4 20 PHE 7 0 36 0 0.0 . >sigma 4 21 ALA 3 0 15 0 0.0 . >sigma 4 22 GLU 5 0 17 0 0.0 . >sigma 4 23 ASP 4 0 9 0 0.0 . >sigma 4 24 VAL 5 0 8 0 0.0 . >sigma 4 25 GLY 3 0 7 0 0.0 . >sigma 4 26 SER 4 0 8 0 0.0 . >sigma 4 27 ASN 6 0 6 0 0.0 . >sigma 4 28 LYS 7 0 6 0 0.0 . >sigma 4 29 GLY 3 0 6 0 0.0 . >sigma 4 30 ALA 3 0 12 0 0.0 . >sigma 4 31 ILE 6 0 47 0 0.0 . >sigma 4 32 ILE 6 0 57 0 0.0 . >sigma 4 33 GLY 3 0 14 0 0.0 . >sigma 4 34 LEU 7 0 46 0 0.0 . >sigma 4 35 MET 6 0 32 0 0.0 . >sigma 4 36 VAL 5 0 45 0 0.0 . >sigma 4 37 GLY 3 0 12 0 0.0 . >sigma 4 38 GLY 3 0 9 0 0.0 . >sigma 4 39 VAL 5 0 19 0 0.0 . >sigma 4 40 VAL 5 0 8 0 0.0 . >sigma 5 9 GLY 3 0 3 0 0.0 . >sigma 5 10 TYR 6 0 6 0 0.0 . >sigma 5 11 GLU 5 0 8 0 0.0 . >sigma 5 12 VAL 5 0 24 0 0.0 . >sigma 5 13 HIS 6 0 11 0 0.0 . >sigma 5 14 HIS 6 0 13 0 0.0 . >sigma 5 15 GLN 7 0 26 0 0.0 . >sigma 5 16 LYS 7 0 35 0 0.0 . >sigma 5 17 LEU 7 0 58 0 0.0 . >sigma 5 18 VAL 5 0 39 0 0.0 . >sigma 5 19 PHE 7 0 70 0 0.0 . >sigma 5 20 PHE 7 0 28 0 0.0 . >sigma 5 21 ALA 3 0 14 0 0.0 . >sigma 5 22 GLU 5 0 15 0 0.0 . >sigma 5 23 ASP 4 0 10 0 0.0 . >sigma 5 24 VAL 5 0 9 0 0.0 . >sigma 5 25 GLY 3 0 7 0 0.0 . >sigma 5 26 SER 4 0 9 0 0.0 . >sigma 5 27 ASN 6 0 9 0 0.0 . >sigma 5 28 LYS 7 0 7 0 0.0 . >sigma 5 29 GLY 3 0 10 0 0.0 . >sigma 5 30 ALA 3 0 14 0 0.0 . >sigma 5 31 ILE 6 0 50 0 0.0 . >sigma 5 32 ILE 6 0 45 0 0.0 . >sigma 5 33 GLY 3 0 13 0 0.0 . >sigma 5 34 LEU 7 0 31 0 0.0 . >sigma 5 35 MET 6 0 25 0 0.0 . >sigma 5 36 VAL 5 0 23 0 0.0 . >sigma 5 37 GLY 3 0 12 0 0.0 . >sigma 5 38 GLY 3 0 8 0 0.0 . >sigma 5 39 VAL 5 0 21 0 0.0 . >sigma 5 40 VAL 5 0 5 0 0.0 . >sigma 6 9 GLY 3 0 3 0 0.0 . >sigma 6 10 TYR 6 0 6 0 0.0 . >sigma 6 11 GLU 5 0 7 0 0.0 . >sigma 6 12 VAL 5 0 17 0 0.0 . >sigma 6 13 HIS 6 0 12 0 0.0 . >sigma 6 14 HIS 6 0 9 0 0.0 . >sigma 6 15 GLN 7 0 26 0 0.0 . >sigma 6 16 LYS 7 0 24 0 0.0 . >sigma 6 17 LEU 7 0 50 0 0.0 . >sigma 6 18 VAL 5 0 27 0 0.0 . >sigma 6 19 PHE 7 0 50 0 0.0 . >sigma 6 20 PHE 7 0 20 0 0.0 . >sigma 6 21 ALA 3 0 10 0 0.0 . >sigma 6 22 GLU 5 0 13 0 0.0 . >sigma 6 23 ASP 4 0 6 0 0.0 . >sigma 6 24 VAL 5 0 9 0 0.0 . >sigma 6 25 GLY 3 0 7 0 0.0 . >sigma 6 26 SER 4 0 7 0 0.0 . >sigma 6 27 ASN 6 0 5 0 0.0 . >sigma 6 28 LYS 7 0 7 0 0.0 . >sigma 6 29 GLY 3 0 7 0 0.0 . >sigma 6 30 ALA 3 0 11 0 0.0 . >sigma 6 31 ILE 6 0 34 0 0.0 . >sigma 6 32 ILE 6 0 19 0 0.0 . >sigma 6 33 GLY 3 0 12 0 0.0 . >sigma 6 34 LEU 7 0 11 0 0.0 . >sigma 6 35 MET 6 0 16 0 0.0 . >sigma 6 36 VAL 5 0 15 0 0.0 . >sigma 6 37 GLY 3 0 8 0 0.0 . >sigma 6 38 GLY 3 0 9 0 0.0 . >sigma 6 39 VAL 5 0 20 0 0.0 . >sigma 6 40 VAL 5 0 7 0 0.0 . >sigma 7 9 GLY 3 0 3 0 0.0 . >sigma 7 10 TYR 6 0 6 0 0.0 . >sigma 7 11 GLU 5 0 7 0 0.0 . >sigma 7 12 VAL 5 0 9 0 0.0 . >sigma 7 13 HIS 6 0 7 0 0.0 . >sigma 7 14 HIS 6 0 10 0 0.0 . >sigma 7 15 GLN 7 0 12 0 0.0 . >sigma 7 16 LYS 7 0 15 0 0.0 . >sigma 7 17 LEU 7 0 17 0 0.0 . >sigma 7 18 VAL 5 0 18 0 0.0 . >sigma 7 19 PHE 7 0 20 0 0.0 . >sigma 7 20 PHE 7 0 13 0 0.0 . >sigma 7 21 ALA 3 0 15 0 0.0 . >sigma 7 22 GLU 5 0 10 0 0.0 . >sigma 7 23 ASP 4 0 6 0 0.0 . >sigma 7 24 VAL 5 0 9 0 0.0 . >sigma 7 25 GLY 3 0 7 0 0.0 . >sigma 7 26 SER 4 0 8 0 0.0 . >sigma 7 27 ASN 6 0 7 0 0.0 . >sigma 7 28 LYS 7 0 7 0 0.0 . >sigma 7 29 GLY 3 0 8 0 0.0 . >sigma 7 30 ALA 3 0 11 0 0.0 . >sigma 7 31 ILE 6 0 30 0 0.0 . >sigma 7 32 ILE 6 0 41 0 0.0 . >sigma 7 33 GLY 3 0 8 0 0.0 . >sigma 7 34 LEU 7 0 28 0 0.0 . >sigma 7 35 MET 6 0 18 0 0.0 . >sigma 7 36 VAL 5 0 39 0 0.0 . >sigma 7 37 GLY 3 0 5 0 0.0 . >sigma 7 38 GLY 3 0 13 0 0.0 . >sigma 7 39 VAL 5 0 19 0 0.0 . >sigma 7 40 VAL 5 0 12 0 0.0 . >sigma 8 9 GLY 3 0 3 0 0.0 . >sigma 8 10 TYR 6 0 7 0 0.0 . >sigma 8 11 GLU 5 0 8 0 0.0 . >sigma 8 12 VAL 5 0 11 0 0.0 . >sigma 8 13 HIS 6 0 8 0 0.0 . >sigma 8 14 HIS 6 0 11 0 0.0 . >sigma 8 15 GLN 7 0 14 0 0.0 . >sigma 8 16 LYS 7 0 33 0 0.0 . >sigma 8 17 LEU 7 0 24 0 0.0 . >sigma 8 18 VAL 5 0 34 0 0.0 . >sigma 8 19 PHE 7 0 28 0 0.0 . >sigma 8 20 PHE 7 0 21 0 0.0 . >sigma 8 21 ALA 3 0 16 0 0.0 . >sigma 8 22 GLU 5 0 17 0 0.0 . >sigma 8 23 ASP 4 0 9 0 0.0 . >sigma 8 24 VAL 5 0 9 0 0.0 . >sigma 8 25 GLY 3 0 9 0 0.0 . >sigma 8 26 SER 4 0 7 0 0.0 . >sigma 8 27 ASN 6 0 7 0 0.0 . >sigma 8 28 LYS 7 0 7 0 0.0 . >sigma 8 29 GLY 3 0 10 0 0.0 . >sigma 8 30 ALA 3 0 10 0 0.0 . >sigma 8 31 ILE 6 0 45 0 0.0 . >sigma 8 32 ILE 6 0 59 0 0.0 . >sigma 8 33 GLY 3 0 13 0 0.0 . >sigma 8 34 LEU 7 0 62 0 0.0 . >sigma 8 35 MET 6 0 33 0 0.0 . >sigma 8 36 VAL 5 0 54 0 0.0 . >sigma 8 37 GLY 3 0 10 0 0.0 . >sigma 8 38 GLY 3 0 11 0 0.0 . >sigma 8 39 VAL 5 0 39 0 0.0 . >sigma 8 40 VAL 5 0 12 0 0.0 . >sigma 9 9 GLY 3 0 3 0 0.0 . >sigma 9 10 TYR 6 0 7 0 0.0 . >sigma 9 11 GLU 5 0 9 0 0.0 . >sigma 9 12 VAL 5 0 19 0 0.0 . >sigma 9 13 HIS 6 0 10 0 0.0 . >sigma 9 14 HIS 6 0 12 0 0.0 . >sigma 9 15 GLN 7 0 22 0 0.0 . >sigma 9 16 LYS 7 0 36 0 0.0 . >sigma 9 17 LEU 7 0 49 0 0.0 . >sigma 9 18 VAL 5 0 34 0 0.0 . >sigma 9 19 PHE 7 0 50 0 0.0 . >sigma 9 20 PHE 7 0 29 0 0.0 . >sigma 9 21 ALA 3 0 16 0 0.0 . >sigma 9 22 GLU 5 0 21 0 0.0 . >sigma 9 23 ASP 4 0 8 0 0.0 . >sigma 9 24 VAL 5 0 8 0 0.0 . >sigma 9 25 GLY 3 0 7 0 0.0 . >sigma 9 26 SER 4 0 6 0 0.0 . >sigma 9 27 ASN 6 0 7 0 0.0 . >sigma 9 28 LYS 7 0 7 0 0.0 . >sigma 9 29 GLY 3 0 9 0 0.0 . >sigma 9 30 ALA 3 0 12 0 0.0 . >sigma 9 31 ILE 6 0 44 0 0.0 . >sigma 9 32 ILE 6 0 58 0 0.0 . >sigma 9 33 GLY 3 0 13 0 0.0 . >sigma 9 34 LEU 7 0 60 0 0.0 . >sigma 9 35 MET 6 0 31 0 0.0 . >sigma 9 36 VAL 5 0 55 0 0.0 . >sigma 9 37 GLY 3 0 9 0 0.0 . >sigma 9 38 GLY 3 0 8 0 0.0 . >sigma 9 39 VAL 5 0 37 0 0.0 . >sigma 9 40 VAL 5 0 16 0 0.0 . >sigma 10 9 GLY 3 0 3 0 0.0 . >sigma 10 10 TYR 6 0 6 0 0.0 . >sigma 10 11 GLU 5 0 7 0 0.0 . >sigma 10 12 VAL 5 0 21 0 0.0 . >sigma 10 13 HIS 6 0 7 0 0.0 . >sigma 10 14 HIS 6 0 11 0 0.0 . >sigma 10 15 GLN 7 0 31 0 0.0 . >sigma 10 16 LYS 7 0 32 0 0.0 . >sigma 10 17 LEU 7 0 65 0 0.0 . >sigma 10 18 VAL 5 0 35 0 0.0 . >sigma 10 19 PHE 7 0 68 0 0.0 . >sigma 10 20 PHE 7 0 32 0 0.0 . >sigma 10 21 ALA 3 0 13 0 0.0 . >sigma 10 22 GLU 5 0 14 0 0.0 . >sigma 10 23 ASP 4 0 9 0 0.0 . >sigma 10 24 VAL 5 0 9 0 0.0 . >sigma 10 25 GLY 3 0 9 0 0.0 . >sigma 10 26 SER 4 0 7 0 0.0 . >sigma 10 27 ASN 6 0 8 0 0.0 . >sigma 10 28 LYS 7 0 7 0 0.0 . >sigma 10 29 GLY 3 0 9 0 0.0 . >sigma 10 30 ALA 3 0 13 0 0.0 . >sigma 10 31 ILE 6 0 44 0 0.0 . >sigma 10 32 ILE 6 0 56 0 0.0 . >sigma 10 33 GLY 3 0 12 0 0.0 . >sigma 10 34 LEU 7 0 55 0 0.0 . >sigma 10 35 MET 6 0 27 0 0.0 . >sigma 10 36 VAL 5 0 47 0 0.0 . >sigma 10 37 GLY 3 0 9 0 0.0 . >sigma 10 38 GLY 3 0 7 0 0.0 . >sigma 10 39 VAL 5 0 27 0 0.0 . >sigma 10 40 VAL 5 0 13 0 0.0 . >sigma 11 9 GLY 3 0 3 0 0.0 . >sigma 11 10 TYR 6 0 6 0 0.0 . >sigma 11 11 GLU 5 0 8 0 0.0 . >sigma 11 12 VAL 5 0 24 0 0.0 . >sigma 11 13 HIS 6 0 12 0 0.0 . >sigma 11 14 HIS 6 0 10 0 0.0 . >sigma 11 15 GLN 7 0 36 0 0.0 . >sigma 11 16 LYS 7 0 30 0 0.0 . >sigma 11 17 LEU 7 0 60 0 0.0 . >sigma 11 18 VAL 5 0 33 0 0.0 . >sigma 11 19 PHE 7 0 67 0 0.0 . >sigma 11 20 PHE 7 0 29 0 0.0 . >sigma 11 21 ALA 3 0 14 0 0.0 . >sigma 11 22 GLU 5 0 19 0 0.0 . >sigma 11 23 ASP 4 0 10 0 0.0 . >sigma 11 24 VAL 5 0 10 0 0.0 . >sigma 11 25 GLY 3 0 8 0 0.0 . >sigma 11 26 SER 4 0 8 0 0.0 . >sigma 11 27 ASN 6 0 8 0 0.0 . >sigma 11 28 LYS 7 0 7 0 0.0 . >sigma 11 29 GLY 3 0 10 0 0.0 . >sigma 11 30 ALA 3 0 12 0 0.0 . >sigma 11 31 ILE 6 0 49 0 0.0 . >sigma 11 32 ILE 6 0 41 0 0.0 . >sigma 11 33 GLY 3 0 11 0 0.0 . >sigma 11 34 LEU 7 0 32 0 0.0 . >sigma 11 35 MET 6 0 25 0 0.0 . >sigma 11 36 VAL 5 0 34 0 0.0 . >sigma 11 37 GLY 3 0 14 0 0.0 . >sigma 11 38 GLY 3 0 9 0 0.0 . >sigma 11 39 VAL 5 0 19 0 0.0 . >sigma 11 40 VAL 5 0 2 0 0.0 . >sigma 12 9 GLY 3 0 3 0 0.0 . >sigma 12 10 TYR 6 0 7 0 0.0 . >sigma 12 11 GLU 5 0 9 0 0.0 . >sigma 12 12 VAL 5 0 17 0 0.0 . >sigma 12 13 HIS 6 0 10 0 0.0 . >sigma 12 14 HIS 6 0 7 0 0.0 . >sigma 12 15 GLN 7 0 19 0 0.0 . >sigma 12 16 LYS 7 0 25 0 0.0 . >sigma 12 17 LEU 7 0 45 0 0.0 . >sigma 12 18 VAL 5 0 29 0 0.0 . >sigma 12 19 PHE 7 0 47 0 0.0 . >sigma 12 20 PHE 7 0 24 0 0.0 . >sigma 12 21 ALA 3 0 10 0 0.0 . >sigma 12 22 GLU 5 0 16 0 0.0 . >sigma 12 23 ASP 4 0 5 0 0.0 . >sigma 12 24 VAL 5 0 8 0 0.0 . >sigma 12 25 GLY 3 0 7 0 0.0 . >sigma 12 26 SER 4 0 8 0 0.0 . >sigma 12 27 ASN 6 0 6 0 0.0 . >sigma 12 28 LYS 7 0 7 0 0.0 . >sigma 12 29 GLY 3 0 7 0 0.0 . >sigma 12 30 ALA 3 0 13 0 0.0 . >sigma 12 31 ILE 6 0 37 0 0.0 . >sigma 12 32 ILE 6 0 27 0 0.0 . >sigma 12 33 GLY 3 0 11 0 0.0 . >sigma 12 34 LEU 7 0 16 0 0.0 . >sigma 12 35 MET 6 0 19 0 0.0 . >sigma 12 36 VAL 5 0 19 0 0.0 . >sigma 12 37 GLY 3 0 10 0 0.0 . >sigma 12 38 GLY 3 0 8 0 0.0 . >sigma 12 39 VAL 5 0 18 0 0.0 . >sigma 12 40 VAL 5 0 6 0 0.0 . >sigma 13 9 GLY 3 0 3 0 0.0 . >sigma 13 10 TYR 6 0 7 0 0.0 . >sigma 13 11 GLU 5 0 8 0 0.0 . >sigma 13 12 VAL 5 0 9 0 0.0 . >sigma 13 13 HIS 6 0 6 0 0.0 . >sigma 13 14 HIS 6 0 12 0 0.0 . >sigma 13 15 GLN 7 0 16 0 0.0 . >sigma 13 16 LYS 7 0 18 0 0.0 . >sigma 13 17 LEU 7 0 26 0 0.0 . >sigma 13 18 VAL 5 0 19 0 0.0 . >sigma 13 19 PHE 7 0 19 0 0.0 . >sigma 13 20 PHE 7 0 17 0 0.0 . >sigma 13 21 ALA 3 0 17 0 0.0 . >sigma 13 22 GLU 5 0 11 0 0.0 . >sigma 13 23 ASP 4 0 6 0 0.0 . >sigma 13 24 VAL 5 0 10 0 0.0 . >sigma 13 25 GLY 3 0 7 0 0.0 . >sigma 13 26 SER 4 0 8 0 0.0 . >sigma 13 27 ASN 6 0 6 0 0.0 . >sigma 13 28 LYS 7 0 7 0 0.0 . >sigma 13 29 GLY 3 0 7 0 0.0 . >sigma 13 30 ALA 3 0 11 0 0.0 . >sigma 13 31 ILE 6 0 29 0 0.0 . >sigma 13 32 ILE 6 0 46 0 0.0 . >sigma 13 33 GLY 3 0 8 0 0.0 . >sigma 13 34 LEU 7 0 31 0 0.0 . >sigma 13 35 MET 6 0 20 0 0.0 . >sigma 13 36 VAL 5 0 44 0 0.0 . >sigma 13 37 GLY 3 0 8 0 0.0 . >sigma 13 38 GLY 3 0 11 0 0.0 . >sigma 13 39 VAL 5 0 21 0 0.0 . >sigma 13 40 VAL 5 0 12 0 0.0 . >sigma 14 9 GLY 3 0 4 0 0.0 . >sigma 14 10 TYR 6 0 7 0 0.0 . >sigma 14 11 GLU 5 0 7 0 0.0 . >sigma 14 12 VAL 5 0 17 0 0.0 . >sigma 14 13 HIS 6 0 8 0 0.0 . >sigma 14 14 HIS 6 0 10 0 0.0 . >sigma 14 15 GLN 7 0 18 0 0.0 . >sigma 14 16 LYS 7 0 33 0 0.0 . >sigma 14 17 LEU 7 0 36 0 0.0 . >sigma 14 18 VAL 5 0 39 0 0.0 . >sigma 14 19 PHE 7 0 30 0 0.0 . >sigma 14 20 PHE 7 0 25 0 0.0 . >sigma 14 21 ALA 3 0 19 0 0.0 . >sigma 14 22 GLU 5 0 15 0 0.0 . >sigma 14 23 ASP 4 0 7 0 0.0 . >sigma 14 24 VAL 5 0 9 0 0.0 . >sigma 14 25 GLY 3 0 7 0 0.0 . >sigma 14 26 SER 4 0 9 0 0.0 . >sigma 14 27 ASN 6 0 7 0 0.0 . >sigma 14 28 LYS 7 0 7 0 0.0 . >sigma 14 29 GLY 3 0 7 0 0.0 . >sigma 14 30 ALA 3 0 13 0 0.0 . >sigma 14 31 ILE 6 0 39 0 0.0 . >sigma 14 32 ILE 6 0 58 0 0.0 . >sigma 14 33 GLY 3 0 12 0 0.0 . >sigma 14 34 LEU 7 0 57 0 0.0 . >sigma 14 35 MET 6 0 31 0 0.0 . >sigma 14 36 VAL 5 0 48 0 0.0 . >sigma 14 37 GLY 3 0 10 0 0.0 . >sigma 14 38 GLY 3 0 10 0 0.0 . >sigma 14 39 VAL 5 0 36 0 0.0 . >sigma 14 40 VAL 5 0 14 0 0.0 . >sigma 15 9 GLY 3 0 4 0 0.0 . >sigma 15 10 TYR 6 0 9 0 0.0 . >sigma 15 11 GLU 5 0 10 0 0.0 . >sigma 15 12 VAL 5 0 21 0 0.0 . >sigma 15 13 HIS 6 0 9 0 0.0 . >sigma 15 14 HIS 6 0 12 0 0.0 . >sigma 15 15 GLN 7 0 23 0 0.0 . >sigma 15 16 LYS 7 0 35 0 0.0 . >sigma 15 17 LEU 7 0 56 0 0.0 . >sigma 15 18 VAL 5 0 36 0 0.0 . >sigma 15 19 PHE 7 0 52 0 0.0 . >sigma 15 20 PHE 7 0 33 0 0.0 . >sigma 15 21 ALA 3 0 19 0 0.0 . >sigma 15 22 GLU 5 0 17 0 0.0 . >sigma 15 23 ASP 4 0 8 0 0.0 . >sigma 15 24 VAL 5 0 9 0 0.0 . >sigma 15 25 GLY 3 0 7 0 0.0 . >sigma 15 26 SER 4 0 9 0 0.0 . >sigma 15 27 ASN 6 0 7 0 0.0 . >sigma 15 28 LYS 7 0 7 0 0.0 . >sigma 15 29 GLY 3 0 8 0 0.0 . >sigma 15 30 ALA 3 0 14 0 0.0 . >sigma 15 31 ILE 6 0 50 0 0.0 . >sigma 15 32 ILE 6 0 58 0 0.0 . >sigma 15 33 GLY 3 0 14 0 0.0 . >sigma 15 34 LEU 7 0 53 0 0.0 . >sigma 15 35 MET 6 0 35 0 0.0 . >sigma 15 36 VAL 5 0 55 0 0.0 . >sigma 15 37 GLY 3 0 9 0 0.0 . >sigma 15 38 GLY 3 0 8 0 0.0 . >sigma 15 39 VAL 5 0 36 0 0.0 . >sigma 15 40 VAL 5 0 13 0 0.0 . >sigma 16 9 GLY 3 0 4 0 0.0 . >sigma 16 10 TYR 6 0 8 0 0.0 . >sigma 16 11 GLU 5 0 7 0 0.0 . >sigma 16 12 VAL 5 0 21 0 0.0 . >sigma 16 13 HIS 6 0 12 0 0.0 . >sigma 16 14 HIS 6 0 12 0 0.0 . >sigma 16 15 GLN 7 0 29 0 0.0 . >sigma 16 16 LYS 7 0 37 0 0.0 . >sigma 16 17 LEU 7 0 69 0 0.0 . >sigma 16 18 VAL 5 0 31 0 0.0 . >sigma 16 19 PHE 7 0 65 0 0.0 . >sigma 16 20 PHE 7 0 35 0 0.0 . >sigma 16 21 ALA 3 0 17 0 0.0 . >sigma 16 22 GLU 5 0 19 0 0.0 . >sigma 16 23 ASP 4 0 11 0 0.0 . >sigma 16 24 VAL 5 0 9 0 0.0 . >sigma 16 25 GLY 3 0 7 0 0.0 . >sigma 16 26 SER 4 0 7 0 0.0 . >sigma 16 27 ASN 6 0 5 0 0.0 . >sigma 16 28 LYS 7 0 7 0 0.0 . >sigma 16 29 GLY 3 0 7 0 0.0 . >sigma 16 30 ALA 3 0 13 0 0.0 . >sigma 16 31 ILE 6 0 47 0 0.0 . >sigma 16 32 ILE 6 0 55 0 0.0 . >sigma 16 33 GLY 3 0 12 0 0.0 . >sigma 16 34 LEU 7 0 52 0 0.0 . >sigma 16 35 MET 6 0 28 0 0.0 . >sigma 16 36 VAL 5 0 49 0 0.0 . >sigma 16 37 GLY 3 0 8 0 0.0 . >sigma 16 38 GLY 3 0 5 0 0.0 . >sigma 16 39 VAL 5 0 23 0 0.0 . >sigma 16 40 VAL 5 0 12 0 0.0 . >sigma 17 9 GLY 3 0 3 0 0.0 . >sigma 17 10 TYR 6 0 6 0 0.0 . >sigma 17 11 GLU 5 0 10 0 0.0 . >sigma 17 12 VAL 5 0 23 0 0.0 . >sigma 17 13 HIS 6 0 12 0 0.0 . >sigma 17 14 HIS 6 0 12 0 0.0 . >sigma 17 15 GLN 7 0 28 0 0.0 . >sigma 17 16 LYS 7 0 35 0 0.0 . >sigma 17 17 LEU 7 0 66 0 0.0 . >sigma 17 18 VAL 5 0 36 0 0.0 . >sigma 17 19 PHE 7 0 68 0 0.0 . >sigma 17 20 PHE 7 0 32 0 0.0 . >sigma 17 21 ALA 3 0 15 0 0.0 . >sigma 17 22 GLU 5 0 23 0 0.0 . >sigma 17 23 ASP 4 0 9 0 0.0 . >sigma 17 24 VAL 5 0 12 0 0.0 . >sigma 17 25 GLY 3 0 9 0 0.0 . >sigma 17 26 SER 4 0 8 0 0.0 . >sigma 17 27 ASN 6 0 6 0 0.0 . >sigma 17 28 LYS 7 0 7 0 0.0 . >sigma 17 29 GLY 3 0 7 0 0.0 . >sigma 17 30 ALA 3 0 14 0 0.0 . >sigma 17 31 ILE 6 0 46 0 0.0 . >sigma 17 32 ILE 6 0 45 0 0.0 . >sigma 17 33 GLY 3 0 14 0 0.0 . >sigma 17 34 LEU 7 0 33 0 0.0 . >sigma 17 35 MET 6 0 27 0 0.0 . >sigma 17 36 VAL 5 0 35 0 0.0 . >sigma 17 37 GLY 3 0 11 0 0.0 . >sigma 17 38 GLY 3 0 8 0 0.0 . >sigma 17 39 VAL 5 0 23 0 0.0 . >sigma 17 40 VAL 5 0 7 0 0.0 . >sigma 18 9 GLY 3 0 3 0 0.0 . >sigma 18 10 TYR 6 0 7 0 0.0 . >sigma 18 11 GLU 5 0 10 0 0.0 . >sigma 18 12 VAL 5 0 16 0 0.0 . >sigma 18 13 HIS 6 0 11 0 0.0 . >sigma 18 14 HIS 6 0 8 0 0.0 . >sigma 18 15 GLN 7 0 24 0 0.0 . >sigma 18 16 LYS 7 0 21 0 0.0 . >sigma 18 17 LEU 7 0 46 0 0.0 . >sigma 18 18 VAL 5 0 28 0 0.0 . >sigma 18 19 PHE 7 0 49 0 0.0 . >sigma 18 20 PHE 7 0 20 0 0.0 . >sigma 18 21 ALA 3 0 10 0 0.0 . >sigma 18 22 GLU 5 0 17 0 0.0 . >sigma 18 23 ASP 4 0 6 0 0.0 . >sigma 18 24 VAL 5 0 10 0 0.0 . >sigma 18 25 GLY 3 0 8 0 0.0 . >sigma 18 26 SER 4 0 8 0 0.0 . >sigma 18 27 ASN 6 0 6 0 0.0 . >sigma 18 28 LYS 7 0 6 0 0.0 . >sigma 18 29 GLY 3 0 6 0 0.0 . >sigma 18 30 ALA 3 0 12 0 0.0 . >sigma 18 31 ILE 6 0 34 0 0.0 . >sigma 18 32 ILE 6 0 24 0 0.0 . >sigma 18 33 GLY 3 0 11 0 0.0 . >sigma 18 34 LEU 7 0 12 0 0.0 . >sigma 18 35 MET 6 0 17 0 0.0 . >sigma 18 36 VAL 5 0 20 0 0.0 . >sigma 18 37 GLY 3 0 10 0 0.0 . >sigma 18 38 GLY 3 0 8 0 0.0 . >sigma 18 39 VAL 5 0 17 0 0.0 . >sigma 18 40 VAL 5 0 8 0 0.0 . >sigma stop_ save_
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