NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
375324 |
1ezo   |
4986 | cing | recoord | dress | 4-filtered-FRED | Wattos | check | completeness | distance |
data_1ezo
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 10
_NOE_completeness_stats.Residue_count 370
_NOE_completeness_stats.Total_atom_count 5735
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 1996
_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 14.3
_NOE_completeness_stats.Constraint_unexpanded_count 1942
_NOE_completeness_stats.Constraint_count 1942
_NOE_completeness_stats.Constraint_exp_unfiltered_count 2870
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 0
_NOE_completeness_stats.Constraint_intraresidue_count 102
_NOE_completeness_stats.Constraint_surplus_count 0
_NOE_completeness_stats.Constraint_observed_count 1840
_NOE_completeness_stats.Constraint_expected_count 2870
_NOE_completeness_stats.Constraint_matched_count 410
_NOE_completeness_stats.Constraint_unmatched_count 1430
_NOE_completeness_stats.Constraint_exp_nonobs_count 2460
_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 469 1517 270 17.8 0.9 .
medium-range 571 686 58 8.5 -0.8 .
long-range 800 667 82 12.3 -0.1 .
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 12 1 0 0 0 1 0 0 0 0 . 0 8.3 8.3
shell 2.00 2.50 195 40 0 0 3 36 0 0 0 0 . 1 20.5 19.8
shell 2.50 3.00 506 169 0 0 4 144 0 0 16 0 . 5 33.4 29.5
shell 3.00 3.50 744 71 0 0 2 24 0 0 4 0 . 41 9.5 19.3
shell 3.50 4.00 1413 129 0 0 0 8 0 0 32 0 . 89 9.1 14.3
shell 4.00 4.50 2342 311 0 0 0 0 0 0 115 0 . 196 13.3 13.8
shell 4.50 5.00 3855 294 0 0 0 0 0 0 39 0 . 255 7.6 11.2
shell 5.00 5.50 5069 228 0 0 0 0 0 0 6 0 . 222 4.5 8.8
shell 5.50 6.00 5909 186 0 0 0 0 0 0 0 0 . 186 3.1 7.1
shell 6.00 6.50 6499 169 0 0 0 0 0 0 0 0 . 169 2.6 6.0
shell 6.50 7.00 7243 155 0 0 0 0 0 0 0 0 . 155 2.1 5.2
shell 7.00 7.50 7629 59 0 0 0 0 0 0 0 0 . 59 0.8 4.4
shell 7.50 8.00 8607 21 0 0 0 0 0 0 0 0 . 21 0.2 3.7
shell 8.00 8.50 9365 6 0 0 0 0 0 0 0 0 . 6 0.1 3.1
shell 8.50 9.00 10336 1 0 0 0 0 0 0 0 0 . 1 0.0 2.6
sums . . 69724 1840 0 0 9 213 0 0 212 0 . 1,406 . .
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 LYS 7 0 3 0 0.0 -1.5 >sigma
1 2 THR 4 0 6 0 0.0 -1.5 >sigma
1 3 GLU 5 0 7 0 0.0 -1.5 >sigma
1 4 GLU 5 2 9 1 11.1 -0.4 .
1 5 GLY 3 4 8 2 25.0 1.1 >sigma
1 6 LYS 7 8 10 1 10.0 -0.5 .
1 7 LEU 7 47 31 7 22.6 0.8 .
1 8 VAL 5 25 31 4 12.9 -0.2 .
1 9 ILE 6 39 38 10 26.3 1.2 >sigma
1 10 TRP 10 11 22 0 0.0 -1.5 >sigma
1 11 ILE 6 25 16 3 18.8 0.4 .
1 12 ASN 6 5 11 1 9.1 -0.6 .
1 13 GLY 3 3 6 2 33.3 1.9 >sigma
1 14 ASP 4 3 7 2 28.6 1.4 >sigma
1 15 LYS 7 6 9 2 22.2 0.8 .
1 16 GLY 3 9 10 2 20.0 0.5 .
1 17 TYR 6 7 12 3 25.0 1.1 >sigma
1 18 ASN 6 5 13 2 15.4 0.1 .
1 19 GLY 3 8 13 3 23.1 0.9 .
1 20 LEU 7 42 25 11 44.0 3.0 >sigma
1 21 ALA 3 12 12 2 16.7 0.2 .
1 22 GLU 5 14 17 2 11.8 -0.3 .
1 23 VAL 5 33 24 2 8.3 -0.6 .
1 24 GLY 3 6 18 2 11.1 -0.4 .
1 25 LYS 7 10 13 2 15.4 0.1 .
1 26 LYS 7 9 16 2 12.5 -0.2 .
1 27 PHE 7 8 31 3 9.7 -0.5 .
1 28 GLU 5 11 31 2 6.5 -0.8 .
1 29 LYS 7 8 16 3 18.8 0.4 .
1 30 ASP 4 7 17 2 11.8 -0.3 .
1 31 THR 4 5 11 3 27.3 1.3 >sigma
1 32 GLY 3 5 10 2 20.0 0.5 .
1 33 ILE 6 11 48 2 4.2 -1.1 >sigma
1 34 LYS 7 7 13 0 0.0 -1.5 >sigma
1 35 VAL 5 35 22 5 22.7 0.8 .
1 36 THR 4 12 19 5 26.3 1.2 >sigma
1 37 VAL 5 37 16 6 37.5 2.3 >sigma
1 38 GLU 5 10 10 3 30.0 1.6 >sigma
1 39 HIS 6 3 7 0 0.0 -1.5 >sigma
1 40 PRO 5 0 13 0 0.0 -1.5 >sigma
1 41 ASP 4 1 9 1 11.1 -0.4 .
1 42 LYS 7 5 11 2 18.2 0.4 .
1 43 LEU 7 13 22 3 13.6 -0.1 .
1 44 GLU 5 7 14 3 21.4 0.7 .
1 45 GLU 5 5 15 3 20.0 0.5 .
1 46 LYS 7 4 26 3 11.5 -0.3 .
1 47 PHE 7 8 25 3 12.0 -0.3 .
1 48 PRO 5 0 17 0 0.0 -1.5 >sigma
1 49 GLN 7 7 19 3 15.8 0.1 .
1 50 VAL 5 13 19 4 21.1 0.7 .
1 51 ALA 3 10 18 5 27.8 1.3 >sigma
1 52 ALA 3 9 11 2 18.2 0.4 .
1 53 THR 4 6 9 2 22.2 0.8 .
1 54 GLY 3 3 8 2 25.0 1.1 >sigma
1 55 ASP 4 7 7 2 28.6 1.4 >sigma
1 56 GLY 3 3 8 1 12.5 -0.2 .
1 57 PRO 5 0 22 0 0.0 -1.5 >sigma
1 58 ASP 4 9 11 2 18.2 0.4 .
1 59 ILE 6 31 30 6 20.0 0.5 .
1 60 ILE 6 18 29 2 6.9 -0.8 .
1 61 PHE 7 10 24 0 0.0 -1.5 >sigma
1 62 TRP 10 8 22 2 9.1 -0.6 .
1 63 ALA 3 8 19 0 0.0 -1.5 >sigma
1 64 HIS 6 8 17 1 5.9 -0.9 .
1 65 ASP 4 6 14 2 14.3 -0.0 .
1 66 ARG 7 6 23 2 8.7 -0.6 .
1 67 PHE 7 6 36 3 8.3 -0.6 .
1 68 GLY 3 6 10 2 20.0 0.5 .
1 69 GLY 3 6 11 4 36.4 2.2 >sigma
1 70 TYR 6 7 14 2 14.3 -0.0 .
1 71 ALA 3 9 29 2 6.9 -0.8 .
1 72 GLN 7 3 13 1 7.7 -0.7 .
1 73 SER 4 8 12 2 16.7 0.2 .
1 74 GLY 3 6 8 2 25.0 1.1 >sigma
1 75 LEU 7 19 9 2 22.2 0.8 .
1 76 LEU 7 30 32 3 9.4 -0.5 .
1 77 ALA 3 9 17 3 17.6 0.3 .
1 78 GLU 5 3 18 0 0.0 -1.5 >sigma
1 79 ILE 6 21 18 0 0.0 -1.5 >sigma
1 80 THR 4 1 8 0 0.0 -1.5 >sigma
1 81 PRO 5 0 7 0 0.0 -1.5 >sigma
1 82 ASP 4 0 7 0 0.0 -1.5 >sigma
1 83 LYS 7 0 13 0 0.0 -1.5 >sigma
1 84 ALA 3 4 13 1 7.7 -0.7 .
1 85 PHE 7 4 12 3 25.0 1.1 >sigma
1 86 GLN 7 6 11 2 18.2 0.4 .
1 87 ASP 4 6 13 3 23.1 0.9 .
1 88 LYS 7 8 10 2 20.0 0.5 .
1 89 LEU 7 33 23 5 21.7 0.7 .
1 90 TYR 6 6 26 2 7.7 -0.7 .
1 91 PRO 5 0 12 0 0.0 -1.5 >sigma
1 92 PHE 7 2 19 1 5.3 -0.9 .
1 93 THR 4 6 21 2 9.5 -0.5 .
1 94 TRP 10 11 19 5 26.3 1.2 >sigma
1 95 ASP 4 8 16 2 12.5 -0.2 .
1 96 ALA 3 10 16 3 18.8 0.4 .
1 97 VAL 5 29 21 4 19.0 0.5 .
1 98 ARG 7 8 8 1 12.5 -0.2 .
1 99 TYR 6 8 6 1 16.7 0.2 .
1 100 ASN 6 0 7 0 0.0 -1.5 >sigma
1 101 GLY 3 2 7 1 14.3 -0.0 .
1 102 LYS 7 3 14 2 14.3 -0.0 .
1 103 LEU 7 20 16 2 12.5 -0.2 .
1 104 ILE 6 25 30 2 6.7 -0.8 .
1 105 ALA 3 11 19 2 10.5 -0.4 .
1 106 TYR 6 8 19 2 10.5 -0.4 .
1 107 PRO 5 0 30 0 0.0 -1.5 >sigma
1 108 ILE 6 18 18 3 16.7 0.2 .
1 109 ALA 3 10 20 3 15.0 0.0 .
1 110 VAL 5 25 20 7 35.0 2.1 >sigma
1 111 GLU 5 10 11 3 27.3 1.3 >sigma
1 112 ALA 3 5 13 0 0.0 -1.5 >sigma
1 113 LEU 7 12 7 1 14.3 -0.0 .
1 114 SER 4 12 14 2 14.3 -0.0 .
1 115 LEU 7 41 24 7 29.2 1.5 >sigma
1 116 ILE 6 17 24 2 8.3 -0.6 .
1 117 TYR 6 9 15 1 6.7 -0.8 .
1 118 ASN 6 9 11 1 9.1 -0.6 .
1 119 LYS 7 7 5 1 20.0 0.5 .
1 120 ASP 4 4 9 3 33.3 1.9 >sigma
1 121 LEU 7 20 8 2 25.0 1.1 >sigma
1 122 LEU 7 18 21 3 14.3 -0.0 .
1 123 PRO 5 0 15 0 0.0 -1.5 >sigma
1 124 ASN 6 0 7 0 0.0 -1.5 >sigma
1 125 PRO 5 0 8 0 0.0 -1.5 >sigma
1 126 PRO 5 0 17 0 0.0 -1.5 >sigma
1 127 LYS 7 3 10 1 10.0 -0.5 .
1 128 THR 4 5 17 1 5.9 -0.9 .
1 129 TRP 10 15 30 2 6.7 -0.8 .
1 130 GLU 5 7 18 2 11.1 -0.4 .
1 131 GLU 5 8 20 2 10.0 -0.5 .
1 132 ILE 6 27 31 2 6.5 -0.8 .
1 133 PRO 5 0 24 0 0.0 -1.5 >sigma
1 134 ALA 3 5 16 1 6.3 -0.8 .
1 135 LEU 7 29 28 3 10.7 -0.4 .
1 136 ASP 4 9 19 2 10.5 -0.4 .
1 137 LYS 7 8 14 2 14.3 -0.0 .
1 138 GLU 5 11 16 2 12.5 -0.2 .
1 139 LEU 7 37 38 7 18.4 0.4 .
1 140 LYS 7 10 19 2 10.5 -0.4 .
1 141 ALA 3 9 13 3 23.1 0.9 .
1 142 LYS 7 6 12 3 25.0 1.1 >sigma
1 143 GLY 3 4 11 2 18.2 0.4 .
1 144 LYS 7 5 18 2 11.1 -0.4 .
1 145 SER 4 7 21 1 4.8 -1.0 .
1 146 ALA 3 12 27 2 7.4 -0.7 .
1 147 LEU 7 23 21 5 23.8 0.9 .
1 148 MET 6 11 17 2 11.8 -0.3 .
1 149 PHE 7 6 9 0 0.0 -1.5 >sigma
1 150 ASN 6 4 11 0 0.0 -1.5 >sigma
1 151 LEU 7 22 20 4 20.0 0.5 .
1 152 GLN 7 4 7 2 28.6 1.4 >sigma
1 153 GLU 5 4 11 2 18.2 0.4 .
1 154 PRO 5 0 11 0 0.0 -1.5 >sigma
1 155 TYR 6 3 11 1 9.1 -0.6 .
1 156 PHE 7 4 14 3 21.4 0.7 .
1 157 THR 4 4 22 2 9.1 -0.6 .
1 158 TRP 10 9 17 3 17.6 0.3 .
1 159 PRO 5 0 27 0 0.0 -1.5 >sigma
1 160 LEU 7 23 23 5 21.7 0.7 .
1 161 ILE 6 21 31 4 12.9 -0.2 .
1 162 ALA 3 8 19 3 15.8 0.1 .
1 163 ALA 3 7 16 3 18.8 0.4 .
1 164 ASP 4 5 8 2 25.0 1.1 >sigma
1 165 GLY 3 4 8 2 25.0 1.1 >sigma
1 166 GLY 3 7 7 2 28.6 1.4 >sigma
1 167 TYR 6 8 9 2 22.2 0.8 .
1 168 ALA 3 3 12 2 16.7 0.2 .
1 169 PHE 7 7 9 1 11.1 -0.4 .
1 170 LYS 7 9 9 1 11.1 -0.4 .
1 171 TYR 6 4 8 0 0.0 -1.5 >sigma
1 172 GLU 5 5 9 2 22.2 0.8 .
1 173 ASN 6 0 7 0 0.0 -1.5 >sigma
1 174 GLY 3 3 8 2 25.0 1.1 >sigma
1 175 LYS 7 5 11 2 18.2 0.4 .
1 176 TYR 6 5 10 1 10.0 -0.5 .
1 177 ASP 4 9 7 2 28.6 1.4 >sigma
1 178 ILE 6 10 9 3 33.3 1.9 >sigma
1 179 LYS 7 6 10 3 30.0 1.6 >sigma
1 180 ASP 4 7 9 2 22.2 0.8 .
1 181 VAL 5 30 10 4 40.0 2.6 >sigma
1 182 GLY 3 9 9 3 33.3 1.9 >sigma
1 183 VAL 5 27 18 6 33.3 1.9 >sigma
1 184 ASP 4 9 12 3 25.0 1.1 >sigma
1 185 ASN 6 11 14 2 14.3 -0.0 .
1 186 ALA 3 0 12 0 0.0 -1.5 >sigma
1 187 GLY 3 5 12 1 8.3 -0.6 .
1 188 ALA 3 7 18 3 16.7 0.2 .
1 189 LYS 7 7 26 2 7.7 -0.7 .
1 190 ALA 3 9 14 2 14.3 -0.0 .
1 191 GLY 3 6 17 2 11.8 -0.3 .
1 192 LEU 7 35 35 11 31.4 1.7 >sigma
1 193 THR 4 10 18 2 11.1 -0.4 .
1 194 PHE 7 12 16 2 12.5 -0.2 .
1 195 LEU 7 36 24 4 16.7 0.2 .
1 196 VAL 5 37 22 6 27.3 1.3 >sigma
1 197 ASP 4 13 18 4 22.2 0.8 .
1 198 LEU 7 28 13 2 15.4 0.1 .
1 199 ILE 6 33 25 6 24.0 1.0 .
1 200 LYS 7 11 20 3 15.0 0.0 .
1 201 ASN 6 8 9 2 22.2 0.8 .
1 202 LYS 7 6 14 3 21.4 0.7 .
1 203 HIS 6 6 12 2 16.7 0.2 .
1 204 MET 6 7 12 2 16.7 0.2 .
1 205 ASN 6 1 10 0 0.0 -1.5 >sigma
1 206 ALA 3 2 7 1 14.3 -0.0 .
1 207 ASP 4 6 6 2 33.3 1.9 >sigma
1 208 THR 4 9 19 1 5.3 -0.9 .
1 209 ASP 4 6 22 2 9.1 -0.6 .
1 210 TYR 6 4 13 2 15.4 0.1 .
1 211 SER 4 5 15 2 13.3 -0.1 .
1 212 ILE 6 11 36 5 13.9 -0.1 .
1 213 ALA 3 6 22 3 13.6 -0.1 .
1 214 GLU 5 3 19 3 15.8 0.1 .
1 215 ALA 3 5 16 2 12.5 -0.2 .
1 216 ALA 3 2 19 2 10.5 -0.4 .
1 217 PHE 7 6 16 1 6.3 -0.8 .
1 218 ASN 6 0 17 0 0.0 -1.5 >sigma
1 219 LYS 7 3 9 1 11.1 -0.4 .
1 220 GLY 3 3 9 2 22.2 0.8 .
1 221 GLU 5 3 6 2 33.3 1.9 >sigma
1 222 THR 4 9 17 2 11.8 -0.3 .
1 223 ALA 3 11 21 3 14.3 -0.0 .
1 224 MET 6 12 21 3 14.3 -0.0 .
1 225 THR 4 9 17 4 23.5 0.9 .
1 226 ILE 6 22 13 1 7.7 -0.7 .
1 227 ASN 6 11 8 1 12.5 -0.2 .
1 228 GLY 3 6 5 0 0.0 -1.5 >sigma
1 229 PRO 5 0 8 0 0.0 -1.5 >sigma
1 230 TRP 10 3 8 1 12.5 -0.2 .
1 231 ALA 3 3 6 2 33.3 1.9 >sigma
1 232 TRP 10 6 7 1 14.3 -0.0 .
1 233 SER 4 0 8 0 0.0 -1.5 >sigma
1 234 ASN 6 0 8 0 0.0 -1.5 >sigma
1 235 ILE 6 0 9 0 0.0 -1.5 >sigma
1 236 ASP 4 0 9 0 0.0 -1.5 >sigma
1 237 THR 4 0 8 0 0.0 -1.5 >sigma
1 238 SER 4 0 7 0 0.0 -1.5 >sigma
1 239 LYS 7 0 8 0 0.0 -1.5 >sigma
1 240 VAL 5 0 10 0 0.0 -1.5 >sigma
1 241 ASN 6 0 8 0 0.0 -1.5 >sigma
1 242 TYR 6 2 11 0 0.0 -1.5 >sigma
1 243 GLY 3 5 9 1 11.1 -0.4 .
1 244 VAL 5 21 14 2 14.3 -0.0 .
1 245 THR 4 11 13 3 23.1 0.9 .
1 246 VAL 5 28 19 3 15.8 0.1 .
1 247 LEU 7 35 19 7 36.8 2.3 >sigma
1 248 PRO 5 0 16 0 0.0 -1.5 >sigma
1 249 THR 4 9 16 0 0.0 -1.5 >sigma
1 250 PHE 7 7 16 3 18.8 0.4 .
1 251 LYS 7 6 6 2 33.3 1.9 >sigma
1 252 GLY 3 4 8 3 37.5 2.3 >sigma
1 253 GLN 7 5 12 2 16.7 0.2 .
1 254 PRO 5 0 19 0 0.0 -1.5 >sigma
1 255 SER 4 9 13 0 0.0 -1.5 >sigma
1 256 LYS 7 5 18 1 5.6 -0.9 .
1 257 PRO 5 0 11 0 0.0 -1.5 >sigma
1 258 PHE 7 0 7 0 0.0 -1.5 >sigma
1 259 VAL 5 28 20 7 35.0 2.1 >sigma
1 260 GLY 3 9 10 3 30.0 1.6 >sigma
1 261 VAL 5 34 33 7 21.2 0.7 .
1 262 LEU 7 24 32 5 15.6 0.1 .
1 263 SER 4 11 23 1 4.3 -1.0 >sigma
1 264 ALA 3 9 21 1 4.8 -1.0 .
1 265 GLY 3 11 6 1 16.7 0.2 .
1 266 ILE 6 20 15 1 6.7 -0.8 .
1 267 ASN 6 13 13 1 7.7 -0.7 .
1 268 ALA 3 5 14 2 14.3 -0.0 .
1 269 ALA 3 5 8 2 25.0 1.1 >sigma
1 270 SER 4 5 8 1 12.5 -0.2 .
1 271 PRO 5 0 8 0 0.0 -1.5 >sigma
1 272 ASN 6 5 15 1 6.7 -0.8 .
1 273 LYS 7 5 11 2 18.2 0.4 .
1 274 GLU 5 6 15 2 13.3 -0.1 .
1 275 LEU 7 30 25 5 20.0 0.5 .
1 276 ALA 3 11 22 3 13.6 -0.1 .
1 277 LYS 7 10 19 2 10.5 -0.4 .
1 278 GLU 5 11 17 2 11.8 -0.3 .
1 279 PHE 7 12 21 2 9.5 -0.5 .
1 280 LEU 7 35 16 5 31.3 1.7 >sigma
1 281 GLU 5 11 14 2 14.3 -0.0 .
1 282 ASN 6 6 10 3 30.0 1.6 >sigma
1 283 TYR 6 7 9 3 33.3 1.9 >sigma
1 284 LEU 7 40 14 5 35.7 2.1 >sigma
1 285 LEU 7 24 15 4 26.7 1.2 >sigma
1 286 THR 4 13 16 3 18.8 0.4 .
1 287 ASP 4 7 10 1 10.0 -0.5 .
1 288 GLU 5 7 11 2 18.2 0.4 .
1 289 GLY 3 8 15 4 26.7 1.2 >sigma
1 290 LEU 7 43 18 3 16.7 0.2 .
1 291 GLU 5 12 13 3 23.1 0.9 .
1 292 ALA 3 13 13 2 15.4 0.1 .
1 293 VAL 5 43 16 5 31.3 1.7 >sigma
1 294 ASN 6 10 11 4 36.4 2.2 >sigma
1 295 LYS 7 7 9 2 22.2 0.8 .
1 296 ASP 4 7 10 2 20.0 0.5 .
1 297 LYS 7 6 11 1 9.1 -0.6 .
1 298 PRO 5 0 9 0 0.0 -1.5 >sigma
1 299 LEU 7 12 11 1 9.1 -0.6 .
1 300 GLY 3 3 14 1 7.1 -0.8 .
1 301 ALA 3 9 15 3 20.0 0.5 .
1 302 VAL 5 34 10 2 20.0 0.5 .
1 303 ALA 3 11 10 3 30.0 1.6 >sigma
1 304 LEU 7 39 23 4 17.4 0.3 .
1 305 LYS 7 11 21 3 14.3 -0.0 .
1 306 SER 4 8 14 4 28.6 1.4 >sigma
1 307 TYR 6 10 27 4 14.8 0.0 .
1 308 GLU 5 9 19 3 15.8 0.1 .
1 309 GLU 5 8 15 3 20.0 0.5 .
1 310 GLU 5 7 14 3 21.4 0.7 .
1 311 LEU 7 20 22 3 13.6 -0.1 .
1 312 ALA 3 8 11 3 27.3 1.3 >sigma
1 313 LYS 7 3 9 2 22.2 0.8 .
1 314 ASP 4 6 19 1 5.3 -0.9 .
1 315 PRO 5 0 12 0 0.0 -1.5 >sigma
1 316 ARG 7 5 19 2 10.5 -0.4 .
1 317 ILE 6 19 29 3 10.3 -0.4 .
1 318 ALA 3 6 21 3 14.3 -0.0 .
1 319 ALA 3 6 16 2 12.5 -0.2 .
1 320 THR 4 6 23 2 8.7 -0.6 .
1 321 MET 6 3 16 2 12.5 -0.2 .
1 322 GLU 5 6 23 3 13.0 -0.2 .
1 323 ASN 6 7 18 3 16.7 0.2 .
1 324 ALA 3 9 16 3 18.8 0.4 .
1 325 GLN 7 4 12 2 16.7 0.2 .
1 326 LYS 7 4 11 2 18.2 0.4 .
1 327 GLY 3 4 8 1 12.5 -0.2 .
1 328 GLU 5 6 6 0 0.0 -1.5 >sigma
1 329 ILE 6 19 18 3 16.7 0.2 .
1 330 MET 6 8 11 2 18.2 0.4 .
1 331 PRO 5 0 9 0 0.0 -1.5 >sigma
1 332 ASN 6 2 7 1 14.3 -0.0 .
1 333 ILE 6 13 21 1 4.8 -1.0 .
1 334 PRO 5 0 13 0 0.0 -1.5 >sigma
1 335 GLN 7 3 19 1 5.3 -0.9 .
1 336 MET 6 6 17 2 11.8 -0.3 .
1 337 SER 4 5 13 2 15.4 0.1 .
1 338 ALA 3 5 14 2 14.3 -0.0 .
1 339 PHE 7 6 23 2 8.7 -0.6 .
1 340 TRP 10 5 15 2 13.3 -0.1 .
1 341 TYR 6 7 15 2 13.3 -0.1 .
1 342 ALA 3 8 16 2 12.5 -0.2 .
1 343 VAL 5 28 22 5 22.7 0.8 .
1 344 ARG 7 8 29 5 17.2 0.3 .
1 345 THR 4 10 15 2 13.3 -0.1 .
1 346 ALA 3 11 16 3 18.8 0.4 .
1 347 VAL 5 41 25 8 32.0 1.8 >sigma
1 348 ILE 6 12 28 4 14.3 -0.0 .
1 349 ASN 6 11 19 2 10.5 -0.4 .
1 350 ALA 3 16 22 3 13.6 -0.1 .
1 351 ALA 3 12 12 2 16.7 0.2 .
1 352 SER 4 6 13 3 23.1 0.9 .
1 353 GLY 3 5 9 3 33.3 1.9 >sigma
1 354 ARG 7 6 5 2 40.0 2.6 >sigma
1 355 GLN 7 6 15 2 13.3 -0.1 .
1 356 THR 4 7 12 0 0.0 -1.5 >sigma
1 357 VAL 5 29 27 8 29.6 1.5 >sigma
1 358 ASP 4 5 16 4 25.0 1.1 >sigma
1 359 GLU 5 9 19 3 15.8 0.1 .
1 360 ALA 3 4 17 2 11.8 -0.3 .
1 361 LEU 7 32 34 7 20.6 0.6 .
1 362 LYS 7 8 20 3 15.0 0.0 .
1 363 ASP 4 9 14 2 14.3 -0.0 .
1 364 ALA 3 7 23 2 8.7 -0.6 .
1 365 GLN 7 9 20 2 10.0 -0.5 .
1 366 THR 4 9 14 2 14.3 -0.0 .
1 367 ARG 7 8 15 2 13.3 -0.1 .
1 368 ILE 6 22 22 2 9.1 -0.6 .
1 369 THR 4 4 12 2 16.7 0.2 .
1 370 LYS 7 4 4 1 25.0 1.1 >sigma
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