NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
527457 |
2lmo   |
18128 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_2lmo
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 10
_NOE_completeness_stats.Residue_count 480
_NOE_completeness_stats.Total_atom_count 5700
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 1980
_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 540
_NOE_completeness_stats.Constraint_count 540
_NOE_completeness_stats.Constraint_exp_unfiltered_count 3332
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 540
_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 3332
_NOE_completeness_stats.Constraint_matched_count 0
_NOE_completeness_stats.Constraint_unmatched_count 0
_NOE_completeness_stats.Constraint_exp_nonobs_count 3332
_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 1293 0 0.0 . >sigma
medium-range 0 143 0 0.0 . >sigma
long-range 0 0 0 . . .
intermolecular 0 1896 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 2.50 358 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 2.50 3.00 562 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 3.00 3.50 961 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 3.50 4.00 1451 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 4.00 4.50 2745 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 4.50 5.00 4117 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 5.00 5.50 4965 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 5.50 6.00 5693 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 6.00 6.50 6934 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 6.50 7.00 8118 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 7.00 7.50 9074 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 7.50 8.00 10096 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 8.00 8.50 10999 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 8.50 9.00 11554 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
sums . . 77627 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 7 0 0.0 . >sigma
1 15 GLN 7 0 9 0 0.0 . >sigma
1 16 LYS 7 0 16 0 0.0 . >sigma
1 17 LEU 7 0 16 0 0.0 . >sigma
1 18 VAL 5 0 14 0 0.0 . >sigma
1 19 PHE 7 0 17 0 0.0 . >sigma
1 20 PHE 7 0 16 0 0.0 . >sigma
1 21 ALA 3 0 14 0 0.0 . >sigma
1 22 GLU 5 0 8 0 0.0 . >sigma
1 23 ASP 4 0 10 0 0.0 . >sigma
1 24 VAL 5 0 8 0 0.0 . >sigma
1 25 GLY 3 0 7 0 0.0 . >sigma
1 26 SER 4 0 6 0 0.0 . >sigma
1 27 ASN 6 0 6 0 0.0 . >sigma
1 28 LYS 7 0 9 0 0.0 . >sigma
1 29 GLY 3 0 7 0 0.0 . >sigma
1 30 ALA 3 0 12 0 0.0 . >sigma
1 31 ILE 6 0 35 0 0.0 . >sigma
1 32 ILE 6 0 33 0 0.0 . >sigma
1 33 GLY 3 0 22 0 0.0 . >sigma
1 34 LEU 7 0 28 0 0.0 . >sigma
1 35 MET 6 0 44 0 0.0 . >sigma
1 36 VAL 5 0 30 0 0.0 . >sigma
1 37 GLY 3 0 13 0 0.0 . >sigma
1 38 GLY 3 0 8 0 0.0 . >sigma
1 39 VAL 5 0 9 0 0.0 . >sigma
1 40 VAL 5 0 5 0 0.0 . >sigma
2 9 GLY 3 0 3 0 0.0 . >sigma
2 10 TYR 6 0 7 0 0.0 . >sigma
2 11 GLU 5 0 9 0 0.0 . >sigma
2 12 VAL 5 0 11 0 0.0 . >sigma
2 13 HIS 6 0 10 0 0.0 . >sigma
2 14 HIS 6 0 8 0 0.0 . >sigma
2 15 GLN 7 0 12 0 0.0 . >sigma
2 16 LYS 7 0 34 0 0.0 . >sigma
2 17 LEU 7 0 25 0 0.0 . >sigma
2 18 VAL 5 0 25 0 0.0 . >sigma
2 19 PHE 7 0 30 0 0.0 . >sigma
2 20 PHE 7 0 24 0 0.0 . >sigma
2 21 ALA 3 0 16 0 0.0 . >sigma
2 22 GLU 5 0 15 0 0.0 . >sigma
2 23 ASP 4 0 12 0 0.0 . >sigma
2 24 VAL 5 0 6 0 0.0 . >sigma
2 25 GLY 3 0 7 0 0.0 . >sigma
2 26 SER 4 0 6 0 0.0 . >sigma
2 27 ASN 6 0 6 0 0.0 . >sigma
2 28 LYS 7 0 11 0 0.0 . >sigma
2 29 GLY 3 0 7 0 0.0 . >sigma
2 30 ALA 3 0 16 0 0.0 . >sigma
2 31 ILE 6 0 46 0 0.0 . >sigma
2 32 ILE 6 0 50 0 0.0 . >sigma
2 33 GLY 3 0 27 0 0.0 . >sigma
2 34 LEU 7 0 55 0 0.0 . >sigma
2 35 MET 6 0 51 0 0.0 . >sigma
2 36 VAL 5 0 36 0 0.0 . >sigma
2 37 GLY 3 0 15 0 0.0 . >sigma
2 38 GLY 3 0 5 0 0.0 . >sigma
2 39 VAL 5 0 6 0 0.0 . >sigma
2 40 VAL 5 0 5 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 8 0 0.0 . >sigma
3 12 VAL 5 0 9 0 0.0 . >sigma
3 13 HIS 6 0 9 0 0.0 . >sigma
3 14 HIS 6 0 9 0 0.0 . >sigma
3 15 GLN 7 0 16 0 0.0 . >sigma
3 16 LYS 7 0 37 0 0.0 . >sigma
3 17 LEU 7 0 37 0 0.0 . >sigma
3 18 VAL 5 0 38 0 0.0 . >sigma
3 19 PHE 7 0 47 0 0.0 . >sigma
3 20 PHE 7 0 32 0 0.0 . >sigma
3 21 ALA 3 0 17 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 8 0 0.0 . >sigma
3 25 GLY 3 0 7 0 0.0 . >sigma
3 26 SER 4 0 6 0 0.0 . >sigma
3 27 ASN 6 0 7 0 0.0 . >sigma
3 28 LYS 7 0 10 0 0.0 . >sigma
3 29 GLY 3 0 11 0 0.0 . >sigma
3 30 ALA 3 0 15 0 0.0 . >sigma
3 31 ILE 6 0 47 0 0.0 . >sigma
3 32 ILE 6 0 45 0 0.0 . >sigma
3 33 GLY 3 0 27 0 0.0 . >sigma
3 34 LEU 7 0 49 0 0.0 . >sigma
3 35 MET 6 0 57 0 0.0 . >sigma
3 36 VAL 5 0 40 0 0.0 . >sigma
3 37 GLY 3 0 16 0 0.0 . >sigma
3 38 GLY 3 0 6 0 0.0 . >sigma
3 39 VAL 5 0 9 0 0.0 . >sigma
3 40 VAL 5 0 5 0 0.0 . >sigma
4 9 GLY 3 0 3 0 0.0 . >sigma
4 10 TYR 6 0 6 0 0.0 . >sigma
4 11 GLU 5 0 8 0 0.0 . >sigma
4 12 VAL 5 0 11 0 0.0 . >sigma
4 13 HIS 6 0 8 0 0.0 . >sigma
4 14 HIS 6 0 8 0 0.0 . >sigma
4 15 GLN 7 0 20 0 0.0 . >sigma
4 16 LYS 7 0 32 0 0.0 . >sigma
4 17 LEU 7 0 35 0 0.0 . >sigma
4 18 VAL 5 0 33 0 0.0 . >sigma
4 19 PHE 7 0 54 0 0.0 . >sigma
4 20 PHE 7 0 28 0 0.0 . >sigma
4 21 ALA 3 0 17 0 0.0 . >sigma
4 22 GLU 5 0 16 0 0.0 . >sigma
4 23 ASP 4 0 11 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 6 0 0.0 . >sigma
4 27 ASN 6 0 6 0 0.0 . >sigma
4 28 LYS 7 0 11 0 0.0 . >sigma
4 29 GLY 3 0 8 0 0.0 . >sigma
4 30 ALA 3 0 19 0 0.0 . >sigma
4 31 ILE 6 0 50 0 0.0 . >sigma
4 32 ILE 6 0 50 0 0.0 . >sigma
4 33 GLY 3 0 24 0 0.0 . >sigma
4 34 LEU 7 0 46 0 0.0 . >sigma
4 35 MET 6 0 52 0 0.0 . >sigma
4 36 VAL 5 0 46 0 0.0 . >sigma
4 37 GLY 3 0 18 0 0.0 . >sigma
4 38 GLY 3 0 5 0 0.0 . >sigma
4 39 VAL 5 0 9 0 0.0 . >sigma
4 40 VAL 5 0 5 0 0.0 . >sigma
5 9 GLY 3 0 3 0 0.0 . >sigma
5 10 TYR 6 0 7 0 0.0 . >sigma
5 11 GLU 5 0 7 0 0.0 . >sigma
5 12 VAL 5 0 11 0 0.0 . >sigma
5 13 HIS 6 0 8 0 0.0 . >sigma
5 14 HIS 6 0 9 0 0.0 . >sigma
5 15 GLN 7 0 17 0 0.0 . >sigma
5 16 LYS 7 0 33 0 0.0 . >sigma
5 17 LEU 7 0 33 0 0.0 . >sigma
5 18 VAL 5 0 30 0 0.0 . >sigma
5 19 PHE 7 0 55 0 0.0 . >sigma
5 20 PHE 7 0 28 0 0.0 . >sigma
5 21 ALA 3 0 15 0 0.0 . >sigma
5 22 GLU 5 0 19 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 8 0 0.0 . >sigma
5 26 SER 4 0 6 0 0.0 . >sigma
5 27 ASN 6 0 7 0 0.0 . >sigma
5 28 LYS 7 0 8 0 0.0 . >sigma
5 29 GLY 3 0 7 0 0.0 . >sigma
5 30 ALA 3 0 19 0 0.0 . >sigma
5 31 ILE 6 0 51 0 0.0 . >sigma
5 32 ILE 6 0 41 0 0.0 . >sigma
5 33 GLY 3 0 21 0 0.0 . >sigma
5 34 LEU 7 0 32 0 0.0 . >sigma
5 35 MET 6 0 46 0 0.0 . >sigma
5 36 VAL 5 0 32 0 0.0 . >sigma
5 37 GLY 3 0 20 0 0.0 . >sigma
5 38 GLY 3 0 8 0 0.0 . >sigma
5 39 VAL 5 0 8 0 0.0 . >sigma
5 40 VAL 5 0 4 0 0.0 . >sigma
6 9 GLY 3 0 3 0 0.0 . >sigma
6 10 TYR 6 0 8 0 0.0 . >sigma
6 11 GLU 5 0 10 0 0.0 . >sigma
6 12 VAL 5 0 11 0 0.0 . >sigma
6 13 HIS 6 0 8 0 0.0 . >sigma
6 14 HIS 6 0 7 0 0.0 . >sigma
6 15 GLN 7 0 12 0 0.0 . >sigma
6 16 LYS 7 0 22 0 0.0 . >sigma
6 17 LEU 7 0 23 0 0.0 . >sigma
6 18 VAL 5 0 23 0 0.0 . >sigma
6 19 PHE 7 0 39 0 0.0 . >sigma
6 20 PHE 7 0 18 0 0.0 . >sigma
6 21 ALA 3 0 11 0 0.0 . >sigma
6 22 GLU 5 0 15 0 0.0 . >sigma
6 23 ASP 4 0 9 0 0.0 . >sigma
6 24 VAL 5 0 8 0 0.0 . >sigma
6 25 GLY 3 0 7 0 0.0 . >sigma
6 26 SER 4 0 6 0 0.0 . >sigma
6 27 ASN 6 0 6 0 0.0 . >sigma
6 28 LYS 7 0 6 0 0.0 . >sigma
6 29 GLY 3 0 6 0 0.0 . >sigma
6 30 ALA 3 0 13 0 0.0 . >sigma
6 31 ILE 6 0 36 0 0.0 . >sigma
6 32 ILE 6 0 22 0 0.0 . >sigma
6 33 GLY 3 0 15 0 0.0 . >sigma
6 34 LEU 7 0 15 0 0.0 . >sigma
6 35 MET 6 0 28 0 0.0 . >sigma
6 36 VAL 5 0 13 0 0.0 . >sigma
6 37 GLY 3 0 15 0 0.0 . >sigma
6 38 GLY 3 0 5 0 0.0 . >sigma
6 39 VAL 5 0 8 0 0.0 . >sigma
6 40 VAL 5 0 5 0 0.0 . >sigma
7 9 GLY 3 0 4 0 0.0 . >sigma
7 10 TYR 6 0 8 0 0.0 . >sigma
7 11 GLU 5 0 8 0 0.0 . >sigma
7 12 VAL 5 0 8 0 0.0 . >sigma
7 13 HIS 6 0 7 0 0.0 . >sigma
7 14 HIS 6 0 7 0 0.0 . >sigma
7 15 GLN 7 0 9 0 0.0 . >sigma
7 16 LYS 7 0 12 0 0.0 . >sigma
7 17 LEU 7 0 13 0 0.0 . >sigma
7 18 VAL 5 0 19 0 0.0 . >sigma
7 19 PHE 7 0 15 0 0.0 . >sigma
7 20 PHE 7 0 11 0 0.0 . >sigma
7 21 ALA 3 0 11 0 0.0 . >sigma
7 22 GLU 5 0 7 0 0.0 . >sigma
7 23 ASP 4 0 10 0 0.0 . >sigma
7 24 VAL 5 0 8 0 0.0 . >sigma
7 25 GLY 3 0 7 0 0.0 . >sigma
7 26 SER 4 0 6 0 0.0 . >sigma
7 27 ASN 6 0 6 0 0.0 . >sigma
7 28 LYS 7 0 9 0 0.0 . >sigma
7 29 GLY 3 0 7 0 0.0 . >sigma
7 30 ALA 3 0 13 0 0.0 . >sigma
7 31 ILE 6 0 28 0 0.0 . >sigma
7 32 ILE 6 0 33 0 0.0 . >sigma
7 33 GLY 3 0 18 0 0.0 . >sigma
7 34 LEU 7 0 29 0 0.0 . >sigma
7 35 MET 6 0 37 0 0.0 . >sigma
7 36 VAL 5 0 27 0 0.0 . >sigma
7 37 GLY 3 0 15 0 0.0 . >sigma
7 38 GLY 3 0 8 0 0.0 . >sigma
7 39 VAL 5 0 7 0 0.0 . >sigma
7 40 VAL 5 0 4 0 0.0 . >sigma
8 9 GLY 3 0 3 0 0.0 . >sigma
8 10 TYR 6 0 8 0 0.0 . >sigma
8 11 GLU 5 0 10 0 0.0 . >sigma
8 12 VAL 5 0 13 0 0.0 . >sigma
8 13 HIS 6 0 8 0 0.0 . >sigma
8 14 HIS 6 0 9 0 0.0 . >sigma
8 15 GLN 7 0 14 0 0.0 . >sigma
8 16 LYS 7 0 22 0 0.0 . >sigma
8 17 LEU 7 0 22 0 0.0 . >sigma
8 18 VAL 5 0 30 0 0.0 . >sigma
8 19 PHE 7 0 21 0 0.0 . >sigma
8 20 PHE 7 0 17 0 0.0 . >sigma
8 21 ALA 3 0 14 0 0.0 . >sigma
8 22 GLU 5 0 11 0 0.0 . >sigma
8 23 ASP 4 0 13 0 0.0 . >sigma
8 24 VAL 5 0 8 0 0.0 . >sigma
8 25 GLY 3 0 7 0 0.0 . >sigma
8 26 SER 4 0 6 0 0.0 . >sigma
8 27 ASN 6 0 6 0 0.0 . >sigma
8 28 LYS 7 0 10 0 0.0 . >sigma
8 29 GLY 3 0 8 0 0.0 . >sigma
8 30 ALA 3 0 15 0 0.0 . >sigma
8 31 ILE 6 0 46 0 0.0 . >sigma
8 32 ILE 6 0 47 0 0.0 . >sigma
8 33 GLY 3 0 23 0 0.0 . >sigma
8 34 LEU 7 0 51 0 0.0 . >sigma
8 35 MET 6 0 59 0 0.0 . >sigma
8 36 VAL 5 0 41 0 0.0 . >sigma
8 37 GLY 3 0 16 0 0.0 . >sigma
8 38 GLY 3 0 6 0 0.0 . >sigma
8 39 VAL 5 0 8 0 0.0 . >sigma
8 40 VAL 5 0 5 0 0.0 . >sigma
9 9 GLY 3 0 3 0 0.0 . >sigma
9 10 TYR 6 0 8 0 0.0 . >sigma
9 11 GLU 5 0 10 0 0.0 . >sigma
9 12 VAL 5 0 15 0 0.0 . >sigma
9 13 HIS 6 0 8 0 0.0 . >sigma
9 14 HIS 6 0 8 0 0.0 . >sigma
9 15 GLN 7 0 19 0 0.0 . >sigma
9 16 LYS 7 0 33 0 0.0 . >sigma
9 17 LEU 7 0 33 0 0.0 . >sigma
9 18 VAL 5 0 36 0 0.0 . >sigma
9 19 PHE 7 0 47 0 0.0 . >sigma
9 20 PHE 7 0 31 0 0.0 . >sigma
9 21 ALA 3 0 15 0 0.0 . >sigma
9 22 GLU 5 0 16 0 0.0 . >sigma
9 23 ASP 4 0 11 0 0.0 . >sigma
9 24 VAL 5 0 7 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 6 0 0.0 . >sigma
9 28 LYS 7 0 8 0 0.0 . >sigma
9 29 GLY 3 0 8 0 0.0 . >sigma
9 30 ALA 3 0 14 0 0.0 . >sigma
9 31 ILE 6 0 46 0 0.0 . >sigma
9 32 ILE 6 0 49 0 0.0 . >sigma
9 33 GLY 3 0 26 0 0.0 . >sigma
9 34 LEU 7 0 48 0 0.0 . >sigma
9 35 MET 6 0 57 0 0.0 . >sigma
9 36 VAL 5 0 40 0 0.0 . >sigma
9 37 GLY 3 0 17 0 0.0 . >sigma
9 38 GLY 3 0 7 0 0.0 . >sigma
9 39 VAL 5 0 8 0 0.0 . >sigma
9 40 VAL 5 0 6 0 0.0 . >sigma
10 9 GLY 3 0 3 0 0.0 . >sigma
10 10 TYR 6 0 7 0 0.0 . >sigma
10 11 GLU 5 0 7 0 0.0 . >sigma
10 12 VAL 5 0 12 0 0.0 . >sigma
10 13 HIS 6 0 8 0 0.0 . >sigma
10 14 HIS 6 0 7 0 0.0 . >sigma
10 15 GLN 7 0 22 0 0.0 . >sigma
10 16 LYS 7 0 33 0 0.0 . >sigma
10 17 LEU 7 0 38 0 0.0 . >sigma
10 18 VAL 5 0 27 0 0.0 . >sigma
10 19 PHE 7 0 48 0 0.0 . >sigma
10 20 PHE 7 0 20 0 0.0 . >sigma
10 21 ALA 3 0 15 0 0.0 . >sigma
10 22 GLU 5 0 17 0 0.0 . >sigma
10 23 ASP 4 0 9 0 0.0 . >sigma
10 24 VAL 5 0 7 0 0.0 . >sigma
10 25 GLY 3 0 7 0 0.0 . >sigma
10 26 SER 4 0 6 0 0.0 . >sigma
10 27 ASN 6 0 6 0 0.0 . >sigma
10 28 LYS 7 0 15 0 0.0 . >sigma
10 29 GLY 3 0 9 0 0.0 . >sigma
10 30 ALA 3 0 19 0 0.0 . >sigma
10 31 ILE 6 0 48 0 0.0 . >sigma
10 32 ILE 6 0 49 0 0.0 . >sigma
10 33 GLY 3 0 26 0 0.0 . >sigma
10 34 LEU 7 0 47 0 0.0 . >sigma
10 35 MET 6 0 51 0 0.0 . >sigma
10 36 VAL 5 0 38 0 0.0 . >sigma
10 37 GLY 3 0 18 0 0.0 . >sigma
10 38 GLY 3 0 4 0 0.0 . >sigma
10 39 VAL 5 0 8 0 0.0 . >sigma
10 40 VAL 5 0 5 0 0.0 . >sigma
11 9 GLY 3 0 4 0 0.0 . >sigma
11 10 TYR 6 0 8 0 0.0 . >sigma
11 11 GLU 5 0 8 0 0.0 . >sigma
11 12 VAL 5 0 13 0 0.0 . >sigma
11 13 HIS 6 0 7 0 0.0 . >sigma
11 14 HIS 6 0 7 0 0.0 . >sigma
11 15 GLN 7 0 16 0 0.0 . >sigma
11 16 LYS 7 0 29 0 0.0 . >sigma
11 17 LEU 7 0 37 0 0.0 . >sigma
11 18 VAL 5 0 30 0 0.0 . >sigma
11 19 PHE 7 0 45 0 0.0 . >sigma
11 20 PHE 7 0 16 0 0.0 . >sigma
11 21 ALA 3 0 15 0 0.0 . >sigma
11 22 GLU 5 0 15 0 0.0 . >sigma
11 23 ASP 4 0 10 0 0.0 . >sigma
11 24 VAL 5 0 8 0 0.0 . >sigma
11 25 GLY 3 0 7 0 0.0 . >sigma
11 26 SER 4 0 6 0 0.0 . >sigma
11 27 ASN 6 0 7 0 0.0 . >sigma
11 28 LYS 7 0 8 0 0.0 . >sigma
11 29 GLY 3 0 11 0 0.0 . >sigma
11 30 ALA 3 0 22 0 0.0 . >sigma
11 31 ILE 6 0 51 0 0.0 . >sigma
11 32 ILE 6 0 40 0 0.0 . >sigma
11 33 GLY 3 0 22 0 0.0 . >sigma
11 34 LEU 7 0 30 0 0.0 . >sigma
11 35 MET 6 0 40 0 0.0 . >sigma
11 36 VAL 5 0 28 0 0.0 . >sigma
11 37 GLY 3 0 23 0 0.0 . >sigma
11 38 GLY 3 0 7 0 0.0 . >sigma
11 39 VAL 5 0 7 0 0.0 . >sigma
11 40 VAL 5 0 4 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 8 0 0.0 . >sigma
12 12 VAL 5 0 10 0 0.0 . >sigma
12 13 HIS 6 0 7 0 0.0 . >sigma
12 14 HIS 6 0 8 0 0.0 . >sigma
12 15 GLN 7 0 11 0 0.0 . >sigma
12 16 LYS 7 0 14 0 0.0 . >sigma
12 17 LEU 7 0 17 0 0.0 . >sigma
12 18 VAL 5 0 17 0 0.0 . >sigma
12 19 PHE 7 0 35 0 0.0 . >sigma
12 20 PHE 7 0 13 0 0.0 . >sigma
12 21 ALA 3 0 12 0 0.0 . >sigma
12 22 GLU 5 0 11 0 0.0 . >sigma
12 23 ASP 4 0 7 0 0.0 . >sigma
12 24 VAL 5 0 7 0 0.0 . >sigma
12 25 GLY 3 0 7 0 0.0 . >sigma
12 26 SER 4 0 7 0 0.0 . >sigma
12 27 ASN 6 0 6 0 0.0 . >sigma
12 28 LYS 7 0 5 0 0.0 . >sigma
12 29 GLY 3 0 5 0 0.0 . >sigma
12 30 ALA 3 0 18 0 0.0 . >sigma
12 31 ILE 6 0 32 0 0.0 . >sigma
12 32 ILE 6 0 23 0 0.0 . >sigma
12 33 GLY 3 0 20 0 0.0 . >sigma
12 34 LEU 7 0 13 0 0.0 . >sigma
12 35 MET 6 0 28 0 0.0 . >sigma
12 36 VAL 5 0 15 0 0.0 . >sigma
12 37 GLY 3 0 19 0 0.0 . >sigma
12 38 GLY 3 0 7 0 0.0 . >sigma
12 39 VAL 5 0 8 0 0.0 . >sigma
12 40 VAL 5 0 5 0 0.0 . >sigma
stop_
save_
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