Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
606712 | 5jpw RC | 30074 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_5jpw
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 20
_NOE_completeness_stats.Residue_count 286
_NOE_completeness_stats.Total_atom_count 4284
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 1492
_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 39.7
_NOE_completeness_stats.Constraint_unexpanded_count 3070
_NOE_completeness_stats.Constraint_count 3070
_NOE_completeness_stats.Constraint_exp_unfiltered_count 2803
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 90
_NOE_completeness_stats.Constraint_intraresidue_count 1043
_NOE_completeness_stats.Constraint_surplus_count 97
_NOE_completeness_stats.Constraint_observed_count 1840
_NOE_completeness_stats.Constraint_expected_count 2719
_NOE_completeness_stats.Constraint_matched_count 1080
_NOE_completeness_stats.Constraint_unmatched_count 760
_NOE_completeness_stats.Constraint_exp_nonobs_count 1639
_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 825 1200 521 43.4 0.6 .
medium-range 513 629 280 44.5 0.7 .
long-range 472 768 258 33.6 -0.1 .
intermolecular 30 122 21 17.2 -1.3 >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 2 2 0 2 0 0 0 0 0 0 . 0 100.0 100.0
shell 2.00 2.50 377 194 14 34 57 46 26 7 10 0 . 0 51.5 51.7
shell 2.50 3.00 486 293 4 25 62 101 50 22 19 10 . 0 60.3 56.5
shell 3.00 3.50 651 264 0 0 36 91 71 38 17 11 . 0 40.6 49.7
shell 3.50 4.00 1203 327 0 0 14 67 102 76 33 35 . 0 27.2 39.7
shell 4.00 4.50 1854 327 0 0 0 4 103 89 86 45 . 0 17.6 30.8
shell 4.50 5.00 2913 276 0 0 0 0 6 80 117 73 . 0 9.5 22.5
shell 5.00 5.50 3332 118 0 0 0 0 2 12 54 50 . 0 3.5 16.6
shell 5.50 6.00 4108 32 0 0 0 0 0 0 12 20 . 0 0.8 12.3
shell 6.00 6.50 4576 5 0 0 0 0 0 0 1 4 . 0 0.1 9.4
shell 6.50 7.00 5098 2 0 0 0 0 0 0 2 0 . 0 0.0 7.5
shell 7.00 7.50 5503 0 0 0 0 0 0 0 0 0 . 0 0.0 6.1
shell 7.50 8.00 6000 0 0 0 0 0 0 0 0 0 . 0 0.0 5.1
shell 8.00 8.50 6633 0 0 0 0 0 0 0 0 0 . 0 0.0 4.3
shell 8.50 9.00 7275 0 0 0 0 0 0 0 0 0 . 0 0.0 3.7
sums . . 50011 1840 18 61 169 309 360 324 351 248 . 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 1 GLY 3 0 2 0 0.0 -2.0 >sigma
1 2 SER 4 0 6 0 0.0 -2.0 >sigma
1 3 MET 6 1 9 0 0.0 -2.0 >sigma
1 4 GLU 5 6 10 4 40.0 0.2 .
1 5 ASP 4 6 9 5 55.6 1.0 >sigma
1 6 TYR 6 6 10 4 40.0 0.2 .
1 7 GLN 7 5 10 5 50.0 0.7 .
1 8 ALA 3 5 9 5 55.6 1.0 >sigma
1 9 ALA 3 6 13 6 46.2 0.5 .
1 10 GLU 5 4 11 4 36.4 -0.0 .
1 11 GLU 5 8 16 4 25.0 -0.6 .
1 12 THR 4 11 17 8 47.1 0.6 .
1 13 ALA 3 9 14 5 35.7 -0.0 .
1 14 PHE 7 18 20 11 55.0 1.0 >sigma
1 15 VAL 5 24 30 16 53.3 0.9 .
1 16 VAL 5 27 31 14 45.2 0.5 .
1 17 ASP 4 15 18 11 61.1 1.4 >sigma
1 18 GLU 5 23 28 15 53.6 0.9 .
1 19 VAL 5 39 49 27 55.1 1.0 >sigma
1 20 SER 4 18 18 9 50.0 0.7 .
1 21 ASN 6 12 18 12 66.7 1.7 >sigma
1 22 ILE 6 38 51 24 47.1 0.6 .
1 23 VAL 5 33 47 19 40.4 0.2 .
1 24 LYS 7 34 38 22 57.9 1.2 >sigma
1 25 GLU 5 18 15 10 66.7 1.7 >sigma
1 26 ALA 3 30 23 16 69.6 1.8 >sigma
1 27 ILE 6 63 56 37 66.1 1.6 >sigma
1 28 GLU 5 27 27 18 66.7 1.7 >sigma
1 29 SER 4 10 12 6 50.0 0.7 .
1 30 ALA 3 17 18 11 61.1 1.4 >sigma
1 31 ILE 6 40 41 24 58.5 1.2 >sigma
1 32 GLY 3 9 8 4 50.0 0.7 .
1 33 GLY 3 3 9 3 33.3 -0.2 .
1 34 ASN 6 10 9 4 44.4 0.4 .
1 35 ALA 3 7 6 2 33.3 -0.2 .
1 36 TYR 6 4 6 1 16.7 -1.1 >sigma
1 37 GLN 7 8 22 5 22.7 -0.8 .
1 38 HIS 6 1 9 1 11.1 -1.4 >sigma
1 39 SER 4 4 10 1 10.0 -1.5 >sigma
1 40 LYS 7 22 39 14 35.9 -0.0 .
1 41 VAL 5 26 33 14 42.4 0.3 .
1 42 ASN 6 9 19 6 31.6 -0.3 .
1 43 GLN 7 18 24 9 37.5 0.1 .
1 44 TRP 10 66 62 33 53.2 0.9 .
1 45 THR 4 16 26 9 34.6 -0.1 .
1 46 THR 4 20 18 9 50.0 0.7 .
1 47 ASN 6 12 23 7 30.4 -0.3 .
1 48 VAL 5 34 44 23 52.3 0.9 .
1 49 VAL 5 23 43 16 37.2 0.0 .
1 50 GLU 5 11 18 4 22.2 -0.8 .
1 51 GLN 7 7 13 5 38.5 0.1 .
1 52 THR 4 34 39 21 53.8 1.0 .
1 53 LEU 7 32 48 21 43.8 0.4 .
1 54 SER 4 7 14 4 28.6 -0.4 .
1 55 GLN 7 22 23 12 52.2 0.9 .
1 56 LEU 7 46 57 26 45.6 0.5 .
1 57 THR 4 21 24 12 50.0 0.7 .
1 58 LYS 7 24 23 11 47.8 0.6 .
1 59 LEU 7 20 24 7 29.2 -0.4 .
1 60 GLY 3 13 19 8 42.1 0.3 .
1 61 LYS 7 4 14 3 21.4 -0.8 .
1 62 PRO 5 1 10 1 10.0 -1.5 >sigma
1 63 PHE 7 3 7 3 42.9 0.3 .
1 64 LYS 7 3 15 2 13.3 -1.3 >sigma
1 65 TYR 6 9 16 5 31.3 -0.3 .
1 66 ILE 6 22 39 8 20.5 -0.9 .
1 67 VAL 5 25 43 12 27.9 -0.5 .
1 68 THR 4 22 20 11 55.0 1.0 >sigma
1 69 CYS 4 13 23 10 43.5 0.4 .
1 70 VAL 5 24 33 12 36.4 -0.0 .
1 71 ILE 6 10 41 7 17.1 -1.1 >sigma
1 72 MET 6 11 15 5 33.3 -0.2 .
1 73 GLN 7 6 14 3 21.4 -0.8 .
1 74 LYS 7 2 10 1 10.0 -1.5 >sigma
1 75 ASN 6 0 9 0 0.0 -2.0 >sigma
1 76 GLY 3 0 8 0 0.0 -2.0 >sigma
1 77 ALA 3 1 6 1 16.7 -1.1 >sigma
1 78 GLY 3 4 4 1 25.0 -0.6 .
1 79 LEU 7 7 13 2 15.4 -1.2 >sigma
1 80 HIS 6 0 19 0 0.0 -2.0 >sigma
1 81 THR 4 18 28 10 35.7 -0.0 .
1 82 ALA 3 14 19 10 52.6 0.9 .
1 83 SER 4 13 21 7 33.3 -0.2 .
1 84 SER 4 8 21 4 19.0 -1.0 .
1 85 CYS 4 2 21 1 4.8 -1.8 >sigma
1 86 PHE 7 4 15 2 13.3 -1.3 >sigma
1 87 TRP 10 10 17 4 23.5 -0.7 .
1 88 ASP 4 8 16 3 18.8 -1.0 .
1 89 SER 4 8 13 5 38.5 0.1 .
1 90 SER 4 11 14 4 28.6 -0.4 .
1 91 THR 4 10 13 7 53.8 1.0 .
1 92 ASP 4 8 18 6 33.3 -0.2 .
1 93 GLY 3 5 7 3 42.9 0.3 .
1 94 SER 4 9 19 7 36.8 0.0 .
1 95 CYS 4 16 18 8 44.4 0.4 .
1 96 THR 4 14 13 6 46.2 0.5 .
1 97 VAL 5 22 35 12 34.3 -0.1 .
1 98 ARG 7 14 16 9 56.3 1.1 >sigma
1 99 TRP 10 34 38 16 42.1 0.3 .
1 100 GLU 5 5 10 3 30.0 -0.4 .
1 101 ASN 6 6 19 5 26.3 -0.6 .
1 102 LYS 7 8 9 5 55.6 1.0 >sigma
1 103 THR 4 9 15 6 40.0 0.2 .
1 104 MET 6 5 25 4 16.0 -1.1 >sigma
1 105 TYR 6 7 20 4 20.0 -0.9 .
1 106 CYS 4 8 21 6 28.6 -0.4 .
1 107 ILE 6 18 32 11 34.4 -0.1 .
1 108 VAL 5 20 35 11 31.4 -0.3 .
1 109 SER 4 12 12 4 33.3 -0.2 .
1 110 ALA 3 23 25 14 56.0 1.1 >sigma
1 111 PHE 7 27 31 19 61.3 1.4 >sigma
1 112 GLY 3 6 13 5 38.5 0.1 .
1 113 LEU 7 18 22 12 54.5 1.0 .
1 114 SER 4 5 7 3 42.9 0.3 .
1 115 ILE 6 7 9 3 33.3 -0.2 .
1 116 GLY 3 7 12 4 33.3 -0.2 .
1 117 GLY 3 0 7 0 0.0 -2.0 >sigma
1 118 GLY 3 1 6 1 16.7 -1.1 >sigma
1 119 SER 4 1 6 1 16.7 -1.1 >sigma
1 120 GLY 3 0 6 0 0.0 -2.0 >sigma
1 121 GLN 7 3 9 2 22.2 -0.8 .
1 122 SER 4 3 8 2 25.0 -0.6 .
1 123 GLY 3 2 8 2 25.0 -0.6 .
1 124 PRO 5 7 8 5 62.5 1.4 >sigma
1 125 ILE 6 15 15 8 53.3 0.9 .
1 126 LYS 7 13 8 6 75.0 2.1 >sigma
1 127 LEU 7 8 7 5 71.4 1.9 >sigma
1 128 GLY 3 4 5 2 40.0 0.2 .
1 129 MET 6 3 6 3 50.0 0.7 .
1 130 ALA 3 7 14 4 28.6 -0.4 .
1 131 LYS 7 8 11 3 27.3 -0.5 .
1 132 ILE 6 13 23 6 26.1 -0.6 .
1 133 THR 4 8 15 3 20.0 -0.9 .
1 134 GLN 7 16 21 11 52.4 0.9 .
1 135 VAL 5 18 28 12 42.9 0.3 .
1 136 ASP 4 7 15 6 40.0 0.2 .
1 137 PHE 7 3 8 3 37.5 0.1 .
1 138 PRO 5 0 8 0 0.0 -2.0 >sigma
1 139 PRO 5 0 7 0 0.0 -2.0 >sigma
1 140 ARG 7 5 10 3 30.0 -0.4 .
1 141 GLU 5 10 12 6 50.0 0.7 .
1 142 ILE 6 12 11 6 54.5 1.0 .
1 143 VAL 5 7 4 3 75.0 2.1 >sigma
2 1 GLY 3 0 2 0 0.0 -2.0 >sigma
2 2 SER 4 0 6 0 0.0 -2.0 >sigma
2 3 MET 6 1 9 0 0.0 -2.0 >sigma
2 4 GLU 5 6 10 4 40.0 0.2 .
2 5 ASP 4 6 9 5 55.6 1.0 >sigma
2 6 TYR 6 6 10 4 40.0 0.2 .
2 7 GLN 7 5 9 5 55.6 1.0 >sigma
2 8 ALA 3 5 8 5 62.5 1.4 >sigma
2 9 ALA 3 6 13 6 46.2 0.5 .
2 10 GLU 5 4 11 4 36.4 -0.0 .
2 11 GLU 5 8 16 4 25.0 -0.6 .
2 12 THR 4 11 16 8 50.0 0.7 .
2 13 ALA 3 9 13 5 38.5 0.1 .
2 14 PHE 7 18 22 12 54.5 1.0 .
2 15 VAL 5 24 29 16 55.2 1.0 >sigma
2 16 VAL 5 27 31 14 45.2 0.5 .
2 17 ASP 4 15 18 11 61.1 1.4 >sigma
2 18 GLU 5 23 30 17 56.7 1.1 >sigma
2 19 VAL 5 39 51 28 54.9 1.0 >sigma
2 20 SER 4 18 18 9 50.0 0.7 .
2 21 ASN 6 12 18 12 66.7 1.7 >sigma
2 22 ILE 6 38 50 24 48.0 0.6 .
2 23 VAL 5 33 46 19 41.3 0.3 .
2 24 LYS 7 34 39 23 59.0 1.2 >sigma
2 25 GLU 5 18 15 10 66.7 1.7 >sigma
2 26 ALA 3 30 23 16 69.6 1.8 >sigma
2 27 ILE 6 63 57 38 66.7 1.7 >sigma
2 28 GLU 5 27 27 18 66.7 1.7 >sigma
2 29 SER 4 10 12 6 50.0 0.7 .
2 30 ALA 3 17 17 11 64.7 1.6 >sigma
2 31 ILE 6 40 41 24 58.5 1.2 >sigma
2 32 GLY 3 9 8 4 50.0 0.7 .
2 33 GLY 3 3 9 3 33.3 -0.2 .
2 34 ASN 6 10 9 4 44.4 0.4 .
2 35 ALA 3 7 7 2 28.6 -0.4 .
2 36 TYR 6 4 7 1 14.3 -1.2 >sigma
2 37 GLN 7 8 21 5 23.8 -0.7 .
2 38 HIS 6 1 9 1 11.1 -1.4 >sigma
2 39 SER 4 4 9 1 11.1 -1.4 >sigma
2 40 LYS 7 22 39 14 35.9 -0.0 .
2 41 VAL 5 26 32 13 40.6 0.2 .
2 42 ASN 6 9 18 6 33.3 -0.2 .
2 43 GLN 7 18 24 9 37.5 0.1 .
2 44 TRP 10 66 62 33 53.2 0.9 .
2 45 THR 4 16 26 9 34.6 -0.1 .
2 46 THR 4 20 18 9 50.0 0.7 .
2 47 ASN 6 12 23 7 30.4 -0.3 .
2 48 VAL 5 34 44 23 52.3 0.9 .
2 49 VAL 5 23 43 16 37.2 0.0 .
2 50 GLU 5 11 18 4 22.2 -0.8 .
2 51 GLN 7 7 13 5 38.5 0.1 .
2 52 THR 4 34 38 21 55.3 1.0 >sigma
2 53 LEU 7 32 46 21 45.7 0.5 .
2 54 SER 4 7 14 4 28.6 -0.4 .
2 55 GLN 7 22 24 12 50.0 0.7 .
2 56 LEU 7 46 55 25 45.5 0.5 .
2 57 THR 4 21 21 11 52.4 0.9 .
2 58 LYS 7 24 20 11 55.0 1.0 >sigma
2 59 LEU 7 20 23 7 30.4 -0.3 .
2 60 GLY 3 13 20 8 40.0 0.2 .
2 61 LYS 7 4 13 3 23.1 -0.7 .
2 62 PRO 5 1 10 1 10.0 -1.5 >sigma
2 63 PHE 7 3 7 3 42.9 0.3 .
2 64 LYS 7 3 11 2 18.2 -1.0 >sigma
2 65 TYR 6 9 20 5 25.0 -0.6 .
2 66 ILE 6 22 41 10 24.4 -0.7 .
2 67 VAL 5 25 44 13 29.5 -0.4 .
2 68 THR 4 22 19 11 57.9 1.2 >sigma
2 69 CYS 4 13 21 9 42.9 0.3 .
2 70 VAL 5 23 32 11 34.4 -0.1 .
2 71 ILE 6 10 40 7 17.5 -1.1 >sigma
2 72 MET 6 11 13 5 38.5 0.1 .
2 73 GLN 7 7 17 4 23.5 -0.7 .
2 74 LYS 7 2 9 1 11.1 -1.4 >sigma
2 75 ASN 6 0 10 0 0.0 -2.0 >sigma
2 76 GLY 3 0 9 0 0.0 -2.0 >sigma
2 77 ALA 3 1 6 1 16.7 -1.1 >sigma
2 78 GLY 3 4 6 2 33.3 -0.2 .
2 79 LEU 7 7 15 3 20.0 -0.9 .
2 80 HIS 6 0 19 0 0.0 -2.0 >sigma
2 81 THR 4 18 25 10 40.0 0.2 .
2 82 ALA 3 14 20 10 50.0 0.7 .
2 83 SER 4 13 22 7 31.8 -0.3 .
2 84 SER 4 8 21 4 19.0 -1.0 .
2 85 CYS 4 2 23 1 4.3 -1.8 >sigma
2 86 PHE 7 4 23 2 8.7 -1.5 >sigma
2 87 TRP 10 10 17 4 23.5 -0.7 .
2 88 ASP 4 8 16 3 18.8 -1.0 .
2 89 SER 4 8 13 5 38.5 0.1 .
2 90 SER 4 11 14 4 28.6 -0.4 .
2 91 THR 4 10 13 7 53.8 1.0 .
2 92 ASP 4 8 19 6 31.6 -0.3 .
2 93 GLY 3 5 7 3 42.9 0.3 .
2 94 SER 4 9 20 7 35.0 -0.1 .
2 95 CYS 4 16 19 8 42.1 0.3 .
2 96 THR 4 14 13 6 46.2 0.5 .
2 97 VAL 5 22 34 12 35.3 -0.1 .
2 98 ARG 7 14 15 9 60.0 1.3 >sigma
2 99 TRP 10 34 38 15 39.5 0.2 .
2 100 GLU 5 5 10 3 30.0 -0.4 .
2 101 ASN 6 6 18 5 27.8 -0.5 .
2 102 LYS 7 8 9 5 55.6 1.0 >sigma
2 103 THR 4 9 15 6 40.0 0.2 .
2 104 MET 6 6 28 5 17.9 -1.0 >sigma
2 105 TYR 6 7 20 4 20.0 -0.9 .
2 106 CYS 4 8 21 6 28.6 -0.4 .
2 107 ILE 6 18 31 11 35.5 -0.1 .
2 108 VAL 5 20 35 11 31.4 -0.3 .
2 109 SER 4 12 12 3 25.0 -0.6 .
2 110 ALA 3 23 25 14 56.0 1.1 >sigma
2 111 PHE 7 26 37 18 48.6 0.7 .
2 112 GLY 3 6 14 5 35.7 -0.0 .
2 113 LEU 7 17 23 12 52.2 0.9 .
2 114 SER 4 5 8 3 37.5 0.1 .
2 115 ILE 6 7 10 4 40.0 0.2 .
2 116 GLY 3 7 12 5 41.7 0.3 .
2 117 GLY 3 0 7 0 0.0 -2.0 >sigma
2 118 GLY 3 1 6 1 16.7 -1.1 >sigma
2 119 SER 4 1 6 1 16.7 -1.1 >sigma
2 120 GLY 3 0 6 0 0.0 -2.0 >sigma
2 121 GLN 7 3 9 2 22.2 -0.8 .
2 122 SER 4 3 8 2 25.0 -0.6 .
2 123 GLY 3 2 8 2 25.0 -0.6 .
2 124 PRO 5 7 8 5 62.5 1.4 >sigma
2 125 ILE 6 15 15 8 53.3 0.9 .
2 126 LYS 7 13 8 6 75.0 2.1 >sigma
2 127 LEU 7 8 7 5 71.4 1.9 >sigma
2 128 GLY 3 4 5 2 40.0 0.2 .
2 129 MET 6 3 7 3 42.9 0.3 .
2 130 ALA 3 7 14 4 28.6 -0.4 .
2 131 LYS 7 8 11 3 27.3 -0.5 .
2 132 ILE 6 13 23 6 26.1 -0.6 .
2 133 THR 4 8 18 3 16.7 -1.1 >sigma
2 134 GLN 7 15 22 11 50.0 0.7 .
2 135 VAL 5 16 25 11 44.0 0.4 .
2 136 ASP 4 7 15 6 40.0 0.2 .
2 137 PHE 7 3 8 3 37.5 0.1 .
2 138 PRO 5 0 8 0 0.0 -2.0 >sigma
2 139 PRO 5 0 7 0 0.0 -2.0 >sigma
2 140 ARG 7 5 10 3 30.0 -0.4 .
2 141 GLU 5 10 12 6 50.0 0.7 .
2 142 ILE 6 12 11 6 54.5 1.0 .
2 143 VAL 5 7 4 3 75.0 2.1 >sigma
stop_
save_