NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
503327 |
2l9n   |
17479 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_2l9n
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 20
_NOE_completeness_stats.Residue_count 252
_NOE_completeness_stats.Total_atom_count 4129
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 1443
_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 42.9
_NOE_completeness_stats.Constraint_unexpanded_count 2813
_NOE_completeness_stats.Constraint_count 2867
_NOE_completeness_stats.Constraint_exp_unfiltered_count 3114
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 58
_NOE_completeness_stats.Constraint_intraresidue_count 296
_NOE_completeness_stats.Constraint_surplus_count 9
_NOE_completeness_stats.Constraint_observed_count 2504
_NOE_completeness_stats.Constraint_expected_count 3105
_NOE_completeness_stats.Constraint_matched_count 1333
_NOE_completeness_stats.Constraint_unmatched_count 1171
_NOE_completeness_stats.Constraint_exp_nonobs_count 1772
_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 1113 1112 672 60.4 1.0 >sigma
medium-range 589 742 254 34.2 -0.5 .
long-range 802 1251 407 32.5 -0.6 .
intermolecular 0 0 0 . . "no multimer"
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 21 14 0 1 0 5 0 0 0 0 . 8 66.7 66.7
shell 2.00 2.50 267 193 0 12 1 91 0 20 0 0 . 69 72.3 71.9
shell 2.50 3.00 549 342 0 0 0 138 0 52 0 0 . 152 62.3 65.6
shell 3.00 3.50 833 339 0 0 0 31 0 105 0 0 . 203 40.7 53.2
shell 3.50 4.00 1435 445 0 0 0 13 0 126 0 0 . 306 31.0 42.9
shell 4.00 4.50 2313 542 0 0 0 0 0 57 0 0 . 485 23.4 34.6
shell 4.50 5.00 3340 420 0 0 0 0 0 9 0 0 . 411 12.6 26.2
shell 5.00 5.50 4343 149 0 0 0 0 0 0 0 0 . 149 3.4 18.7
shell 5.50 6.00 4967 47 0 0 0 0 0 0 0 0 . 47 0.9 13.8
shell 6.00 6.50 5474 12 0 0 0 0 0 0 0 0 . 12 0.2 10.6
shell 6.50 7.00 5810 1 0 0 0 0 0 0 0 0 . 1 0.0 8.5
shell 7.00 7.50 6325 0 0 0 0 0 0 0 0 0 . 0 0.0 7.0
shell 7.50 8.00 7065 0 0 0 0 0 0 0 0 0 . 0 0.0 5.9
shell 8.00 8.50 7459 0 0 0 0 0 0 0 0 0 . 0 0.0 5.0
shell 8.50 9.00 7862 0 0 0 0 0 0 0 0 0 . 0 0.0 4.3
sums . . 58063 2504 0 13 1 278 0 369 0 0 . 1,843 . .
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 3 MET 6 0 5 0 0.0 -2.5 >sigma
1 4 SER 4 4 9 3 33.3 -0.7 .
1 5 ILE 6 12 9 8 88.9 2.2 >sigma
1 6 PHE 7 18 15 10 66.7 1.0 >sigma
1 7 THR 4 13 9 7 77.8 1.6 >sigma
1 8 PRO 5 11 9 7 77.8 1.6 >sigma
1 9 THR 4 11 8 8 100.0 2.7 >sigma
1 10 ASN 6 11 8 7 87.5 2.1 >sigma
1 11 GLN 7 10 13 7 53.8 0.3 .
1 12 ILE 6 18 19 8 42.1 -0.3 .
1 13 ARG 7 13 9 6 66.7 1.0 >sigma
1 14 LEU 7 20 20 9 45.0 -0.1 .
1 15 THR 4 15 10 9 90.0 2.2 >sigma
1 16 ASN 6 12 9 7 77.8 1.6 >sigma
1 17 VAL 5 23 31 13 41.9 -0.3 .
1 18 ALA 3 21 26 13 50.0 0.1 .
1 19 VAL 5 36 31 15 48.4 0.1 .
1 20 VAL 5 37 57 24 42.1 -0.3 .
1 21 ARG 7 31 20 12 60.0 0.7 .
1 22 MET 6 45 54 25 46.3 -0.1 .
1 23 LYS 7 24 12 7 58.3 0.6 .
1 24 ARG 7 37 25 16 64.0 0.9 .
1 25 ALA 3 17 14 11 78.6 1.6 >sigma
1 26 GLY 3 10 10 8 80.0 1.7 >sigma
1 27 LYS 7 16 26 9 34.6 -0.7 .
1 28 ARG 7 18 13 7 53.8 0.3 .
1 29 PHE 7 65 58 34 58.6 0.6 .
1 30 GLU 5 41 31 22 71.0 1.2 >sigma
1 31 ILE 6 72 65 40 61.5 0.7 .
1 32 ALA 3 28 29 15 51.7 0.2 .
1 33 CYS 4 35 34 19 55.9 0.4 .
1 34 TYR 6 30 44 10 22.7 -1.3 >sigma
1 35 LYS 7 13 37 7 18.9 -1.5 >sigma
1 36 ASN 6 10 19 5 26.3 -1.1 >sigma
1 37 LYS 7 10 61 8 13.1 -1.8 >sigma
1 38 VAL 5 30 59 14 23.7 -1.2 >sigma
1 39 VAL 5 11 30 5 16.7 -1.6 >sigma
1 40 GLY 3 11 18 7 38.9 -0.4 .
1 41 TRP 10 46 58 25 43.1 -0.2 .
1 42 ARG 7 8 27 4 14.8 -1.7 >sigma
1 43 SER 4 15 13 6 46.2 -0.1 .
1 44 GLY 3 11 9 7 77.8 1.6 >sigma
1 45 VAL 5 13 10 6 60.0 0.7 .
1 46 GLU 5 8 6 5 83.3 1.9 >sigma
1 47 LYS 7 17 48 9 18.8 -1.5 >sigma
1 48 ASP 4 19 20 10 50.0 0.1 .
1 49 LEU 7 27 52 15 28.8 -1.0 .
1 50 ASP 4 19 13 8 61.5 0.7 .
1 51 GLU 5 20 25 10 40.0 -0.4 .
1 52 VAL 5 36 67 20 29.9 -0.9 .
1 53 LEU 7 52 62 30 48.4 0.1 .
1 54 GLN 7 21 32 12 37.5 -0.5 .
1 55 THR 4 23 24 15 62.5 0.8 .
1 56 HIS 6 17 18 10 55.6 0.4 .
1 57 SER 4 33 20 16 80.0 1.7 >sigma
1 58 VAL 5 49 49 24 49.0 0.1 .
1 59 PHE 7 64 51 33 64.7 0.9 .
1 60 VAL 5 35 41 21 51.2 0.2 .
1 61 ASN 6 29 38 16 42.1 -0.3 .
1 62 VAL 5 53 47 25 53.2 0.3 .
1 63 SER 4 25 16 12 75.0 1.4 >sigma
1 64 LYS 7 25 21 13 61.9 0.8 .
1 65 GLY 3 16 14 11 78.6 1.6 >sigma
1 66 GLN 7 29 29 14 48.3 0.1 .
1 67 VAL 5 42 26 22 84.6 1.9 >sigma
1 68 ALA 3 37 25 20 80.0 1.7 >sigma
1 69 LYS 7 21 15 11 73.3 1.4 >sigma
1 70 LYS 7 18 20 10 50.0 0.1 .
1 71 GLU 5 15 17 9 52.9 0.3 .
1 72 ASP 4 22 22 12 54.5 0.4 .
1 73 LEU 7 49 65 31 47.7 0.0 .
1 74 ILE 6 31 46 22 47.8 0.0 .
1 75 SER 4 17 13 9 69.2 1.1 >sigma
1 76 ALA 3 27 28 18 64.3 0.9 .
1 77 PHE 7 62 58 39 67.2 1.0 >sigma
1 78 GLY 3 14 15 11 73.3 1.4 >sigma
1 79 THR 4 25 25 19 76.0 1.5 >sigma
1 80 ASP 4 19 22 14 63.6 0.9 .
1 81 ASP 4 17 22 12 54.5 0.4 .
1 82 GLN 7 26 32 17 53.1 0.3 .
1 83 THR 4 19 30 14 46.7 -0.0 .
1 84 GLU 5 19 28 10 35.7 -0.6 .
1 85 ILE 6 62 63 41 65.1 0.9 .
1 86 CYS 4 34 40 23 57.5 0.5 .
1 87 LYS 7 30 48 18 37.5 -0.5 .
1 88 GLN 7 25 23 13 56.5 0.5 .
1 89 ILE 6 69 75 46 61.3 0.7 .
1 90 LEU 7 38 63 25 39.7 -0.4 .
1 91 THR 4 22 20 11 55.0 0.4 .
1 92 LYS 7 19 20 10 50.0 0.1 .
1 93 GLY 3 19 25 12 48.0 0.0 .
1 94 GLU 5 14 11 6 54.5 0.4 .
1 95 VAL 5 27 34 13 38.2 -0.5 .
1 96 GLN 7 33 17 11 64.7 0.9 .
1 97 VAL 5 20 29 7 24.1 -1.2 >sigma
1 98 SER 4 19 19 10 52.6 0.3 .
1 99 ASP 4 16 10 7 70.0 1.2 >sigma
1 100 LYS 7 17 18 8 44.4 -0.1 .
1 101 GLU 5 18 34 11 32.4 -0.8 .
1 102 ARG 7 16 21 6 28.6 -1.0 .
1 103 HIS 6 5 16 3 18.8 -1.5 >sigma
1 104 THR 4 13 16 6 37.5 -0.5 .
1 105 GLN 7 2 26 2 7.7 -2.1 >sigma
1 106 LEU 7 0 26 0 0.0 -2.5 >sigma
1 107 GLU 5 0 15 0 0.0 -2.5 >sigma
1 108 GLN 7 13 17 7 41.2 -0.3 .
1 109 MET 6 24 33 13 39.4 -0.4 .
1 110 PHE 7 23 36 11 30.6 -0.9 .
1 111 ARG 7 19 16 10 62.5 0.8 .
1 112 ASP 4 21 19 10 52.6 0.3 .
1 113 ILE 6 40 48 19 39.6 -0.4 .
1 114 ALA 3 31 32 16 50.0 0.1 .
1 115 THR 4 22 19 11 57.9 0.6 .
1 116 ILE 6 30 38 15 39.5 -0.4 .
1 117 VAL 5 26 45 11 24.4 -1.2 >sigma
1 118 ALA 3 27 27 14 51.9 0.2 .
1 119 ASP 4 13 15 10 66.7 1.0 >sigma
1 120 LYS 7 17 21 8 38.1 -0.5 .
1 121 CYS 4 22 19 8 42.1 -0.3 .
1 122 VAL 5 30 28 14 50.0 0.1 .
1 123 ASN 6 17 25 9 36.0 -0.6 .
1 124 PRO 5 7 21 3 14.3 -1.7 >sigma
1 125 GLU 5 10 13 6 46.2 -0.1 .
1 126 THR 4 14 9 6 66.7 1.0 >sigma
1 127 LYS 7 13 10 7 70.0 1.2 >sigma
1 128 ARG 7 15 12 6 50.0 0.1 .
1 129 PRO 5 7 16 4 25.0 -1.2 >sigma
1 130 TYR 6 18 36 11 30.6 -0.9 .
1 131 THR 4 18 26 10 38.5 -0.5 .
1 132 VAL 5 20 28 12 42.9 -0.2 .
1 133 ILE 6 18 24 12 50.0 0.1 .
1 134 LEU 7 25 38 15 39.5 -0.4 .
1 135 ILE 6 30 54 18 33.3 -0.7 .
1 136 GLU 5 25 26 13 50.0 0.1 .
1 137 ARG 7 23 17 9 52.9 0.3 .
1 138 ALA 3 25 20 14 70.0 1.2 >sigma
1 139 MET 6 19 42 8 19.0 -1.5 >sigma
1 140 LYS 7 8 15 4 26.7 -1.1 >sigma
1 141 ASP 4 19 14 10 71.4 1.3 >sigma
1 142 ILE 6 19 30 8 26.7 -1.1 >sigma
1 143 HIS 6 12 9 6 66.7 1.0 >sigma
1 144 TYR 6 15 40 6 15.0 -1.7 >sigma
1 145 SER 4 10 8 5 62.5 0.8 .
1 146 VAL 5 17 34 9 26.5 -1.1 >sigma
1 147 LYS 7 10 18 6 33.3 -0.7 .
1 148 THR 4 17 27 10 37.0 -0.5 .
1 149 ASN 6 13 9 6 66.7 1.0 >sigma
1 150 LYS 7 9 13 4 30.8 -0.9 .
1 151 SER 4 18 17 6 35.3 -0.6 .
1 152 THR 4 26 21 10 47.6 0.0 .
1 153 LYS 7 20 12 10 83.3 1.9 >sigma
1 154 GLN 7 13 16 6 37.5 -0.5 .
1 155 GLN 7 15 27 8 29.6 -0.9 .
1 156 ALA 3 26 22 11 50.0 0.1 .
1 157 LEU 7 20 16 8 50.0 0.1 .
1 158 GLU 5 20 19 10 52.6 0.3 .
1 159 VAL 5 32 42 15 35.7 -0.6 .
1 160 ILE 6 25 32 14 43.8 -0.2 .
1 161 LYS 7 18 20 10 50.0 0.1 .
1 162 GLN 7 22 31 14 45.2 -0.1 .
1 163 LEU 7 32 53 19 35.8 -0.6 .
1 164 LYS 7 17 21 11 52.4 0.3 .
1 165 GLU 5 10 12 6 50.0 0.1 .
1 166 LYS 7 18 18 9 50.0 0.1 .
1 167 MET 6 11 17 6 35.3 -0.6 .
1 168 LYS 7 3 14 1 7.1 -2.1 >sigma
1 169 ILE 6 11 35 3 8.6 -2.0 >sigma
1 170 GLU 5 15 19 6 31.6 -0.8 .
1 171 ARG 7 17 15 8 53.3 0.3 .
1 172 ALA 3 18 11 7 63.6 0.9 .
1 173 HIS 6 12 7 6 85.7 2.0 >sigma
1 174 MET 6 4 11 3 27.3 -1.0 >sigma
1 175 ARG 7 20 26 12 46.2 -0.1 .
1 176 LEU 7 21 32 8 25.0 -1.2 >sigma
1 177 ARG 7 22 26 9 34.6 -0.7 .
1 178 PHE 7 18 50 9 18.0 -1.5 >sigma
1 179 ILE 6 19 30 8 26.7 -1.1 >sigma
1 180 LEU 7 13 46 6 13.0 -1.8 >sigma
1 181 PRO 5 9 32 3 9.4 -2.0 >sigma
1 182 VAL 5 14 23 8 34.8 -0.6 .
1 183 ASN 6 14 13 9 69.2 1.1 >sigma
1 184 GLU 5 14 22 6 27.3 -1.0 >sigma
1 185 GLY 3 12 26 7 26.9 -1.1 >sigma
1 186 LYS 7 8 11 5 45.5 -0.1 .
1 187 LYS 7 21 24 10 41.7 -0.3 .
1 188 LEU 7 24 53 11 20.8 -1.4 >sigma
1 189 LYS 7 25 32 12 37.5 -0.5 .
1 190 GLU 5 21 15 10 66.7 1.0 >sigma
1 191 LYS 7 19 28 12 42.9 -0.2 .
1 192 LEU 7 27 57 15 26.3 -1.1 >sigma
1 193 LYS 7 26 29 13 44.8 -0.1 .
1 194 PRO 5 12 19 8 42.1 -0.3 .
1 195 LEU 7 28 50 18 36.0 -0.6 .
1 196 ILE 6 12 39 7 17.9 -1.5 >sigma
1 197 LYS 7 7 11 3 27.3 -1.0 >sigma
1 198 VAL 5 24 33 11 33.3 -0.7 .
1 199 ILE 6 25 23 12 52.2 0.3 .
1 200 GLU 5 13 13 6 46.2 -0.1 .
1 201 SER 4 18 10 6 60.0 0.7 .
1 202 GLU 5 20 17 9 52.9 0.3 .
1 203 ASP 4 19 17 10 58.8 0.6 .
1 204 TYR 6 17 16 6 37.5 -0.5 .
1 205 GLY 3 10 5 4 80.0 1.7 >sigma
1 206 GLN 7 7 8 3 37.5 -0.5 .
1 207 GLN 7 13 23 7 30.4 -0.9 .
1 208 LEU 7 17 19 8 42.1 -0.3 .
1 209 GLU 5 28 22 11 50.0 0.1 .
1 210 ILE 6 27 27 11 40.7 -0.3 .
1 211 VAL 5 25 33 11 33.3 -0.7 .
1 212 CYS 4 27 20 9 45.0 -0.1 .
1 213 LEU 7 12 49 6 12.2 -1.8 >sigma
1 214 ILE 6 28 27 17 63.0 0.8 .
1 215 ASP 4 8 12 3 25.0 -1.2 >sigma
1 216 PRO 5 9 13 3 23.1 -1.3 >sigma
1 217 GLY 3 8 12 5 41.7 -0.3 .
1 218 CYS 4 11 7 5 71.4 1.3 >sigma
1 219 PHE 7 9 30 7 23.3 -1.2 >sigma
1 220 ARG 7 12 17 6 35.3 -0.6 .
1 221 GLU 5 9 14 8 57.1 0.5 .
1 222 ILE 6 20 33 12 36.4 -0.6 .
1 223 ASP 4 20 31 15 48.4 0.1 .
1 224 GLU 5 9 21 8 38.1 -0.5 .
1 225 LEU 7 18 20 11 55.0 0.4 .
1 226 ILE 6 29 44 20 45.5 -0.1 .
1 227 LYS 7 16 48 13 27.1 -1.0 >sigma
1 228 LYS 7 15 19 8 42.1 -0.3 .
1 229 GLU 5 18 14 10 71.4 1.3 >sigma
1 230 THR 4 27 36 15 41.7 -0.3 .
1 231 LYS 7 21 36 11 30.6 -0.9 .
1 232 GLY 3 12 12 8 66.7 1.0 >sigma
1 233 LYS 7 11 7 4 57.1 0.5 .
1 234 GLY 3 11 8 5 62.5 0.8 .
1 235 SER 4 14 25 6 24.0 -1.2 >sigma
1 236 LEU 7 16 21 7 33.3 -0.7 .
1 237 GLU 5 13 21 6 28.6 -1.0 .
1 238 VAL 5 17 27 10 37.0 -0.5 .
1 239 LEU 7 17 15 8 53.3 0.3 .
1 240 ASN 6 13 14 5 35.7 -0.6 .
1 241 LEU 7 12 11 6 54.5 0.4 .
1 242 LYS 7 11 9 4 44.4 -0.1 .
1 243 ASP 4 14 7 4 57.1 0.5 .
1 244 VAL 5 6 8 4 50.0 0.1 .
1 245 GLU 5 9 9 6 66.7 1.0 >sigma
1 246 GLU 5 6 8 6 75.0 1.4 >sigma
1 247 GLY 3 6 7 4 57.1 0.5 .
1 248 ASP 4 6 7 5 71.4 1.3 >sigma
1 249 GLU 5 9 9 6 66.7 1.0 >sigma
1 250 LYS 7 11 10 6 60.0 0.7 .
1 251 PHE 7 11 9 7 77.8 1.6 >sigma
1 252 GLU 5 7 4 4 100.0 2.7 >sigma
stop_
save_
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