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 |
|
|
497357 |
2kz7   |
17016 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_2kz7
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 10
_NOE_completeness_stats.Residue_count 648
_NOE_completeness_stats.Total_atom_count 9973
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 3524
_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 101
_NOE_completeness_stats.Constraint_count 101
_NOE_completeness_stats.Constraint_exp_unfiltered_count 9697
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 101
_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 9697
_NOE_completeness_stats.Constraint_matched_count 0
_NOE_completeness_stats.Constraint_unmatched_count 0
_NOE_completeness_stats.Constraint_exp_nonobs_count 9697
_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 2789 0 0.0 . >sigma
medium-range 0 2043 0 0.0 . >sigma
long-range 0 3736 0 0.0 . >sigma
intermolecular 0 1129 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 2.00 142 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 2.00 2.50 1191 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 2.50 3.00 1914 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 3.00 3.50 2513 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 3.50 4.00 3937 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 4.00 4.50 6288 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 4.50 5.00 8673 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 5.00 5.50 10313 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 5.50 6.00 11945 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 6.00 6.50 13188 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 6.50 7.00 15145 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 7.00 7.50 16810 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 7.50 8.00 18592 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 8.00 8.50 20473 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 8.50 9.00 21993 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
sums . . 153117 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 7 ARG 7 0 4 0 0.0 . >sigma
1 8 VAL 5 0 11 0 0.0 . >sigma
1 9 SER 4 0 18 0 0.0 . >sigma
1 10 ASP 4 0 18 0 0.0 . >sigma
1 11 GLU 5 0 22 0 0.0 . >sigma
1 12 GLU 5 0 30 0 0.0 . >sigma
1 13 LYS 7 0 44 0 0.0 . >sigma
1 14 VAL 5 0 41 0 0.0 . >sigma
1 15 ARG 7 0 28 0 0.0 . >sigma
1 16 ILE 6 0 53 0 0.0 . >sigma
1 17 ALA 3 0 37 0 0.0 . >sigma
1 18 ALA 3 0 27 0 0.0 . >sigma
1 19 LYS 7 0 25 0 0.0 . >sigma
1 20 PHE 7 0 65 0 0.0 . >sigma
1 21 ILE 6 0 61 0 0.0 . >sigma
1 22 THR 4 0 33 0 0.0 . >sigma
1 23 HIS 6 0 19 0 0.0 . >sigma
1 24 ALA 3 0 29 0 0.0 . >sigma
1 25 PRO 5 0 38 0 0.0 . >sigma
1 26 PRO 5 0 40 0 0.0 . >sigma
1 27 GLY 3 0 20 0 0.0 . >sigma
1 28 GLU 5 0 34 0 0.0 . >sigma
1 29 PHE 7 0 45 0 0.0 . >sigma
1 30 ASN 6 0 20 0 0.0 . >sigma
1 31 GLU 5 0 26 0 0.0 . >sigma
1 32 VAL 5 0 53 0 0.0 . >sigma
1 33 PHE 7 0 58 0 0.0 . >sigma
1 34 ASN 6 0 25 0 0.0 . >sigma
1 35 ASP 4 0 31 0 0.0 . >sigma
1 36 VAL 5 0 60 0 0.0 . >sigma
1 37 ARG 7 0 52 0 0.0 . >sigma
1 38 LEU 7 0 33 0 0.0 . >sigma
1 39 LEU 7 0 73 0 0.0 . >sigma
1 40 LEU 7 0 63 0 0.0 . >sigma
1 41 ASN 6 0 15 0 0.0 . >sigma
1 42 ASN 6 0 25 0 0.0 . >sigma
1 43 ASP 4 0 14 0 0.0 . >sigma
1 44 ASN 6 0 17 0 0.0 . >sigma
1 45 LEU 7 0 47 0 0.0 . >sigma
1 46 LEU 7 0 56 0 0.0 . >sigma
1 47 ARG 7 0 23 0 0.0 . >sigma
1 48 GLU 5 0 21 0 0.0 . >sigma
1 49 GLY 3 0 15 0 0.0 . >sigma
1 50 ALA 3 0 29 0 0.0 . >sigma
1 51 ALA 3 0 14 0 0.0 . >sigma
1 52 HIS 6 0 18 0 0.0 . >sigma
1 53 ALA 3 0 28 0 0.0 . >sigma
1 54 PHE 7 0 57 0 0.0 . >sigma
1 55 ALA 3 0 25 0 0.0 . >sigma
1 56 GLN 7 0 27 0 0.0 . >sigma
1 57 TYR 6 0 45 0 0.0 . >sigma
1 58 ASN 6 0 48 0 0.0 . >sigma
1 59 MET 6 0 44 0 0.0 . >sigma
1 60 ASP 4 0 16 0 0.0 . >sigma
1 61 GLN 7 0 29 0 0.0 . >sigma
1 62 PHE 7 0 57 0 0.0 . >sigma
1 63 THR 4 0 35 0 0.0 . >sigma
1 64 PRO 5 0 40 0 0.0 . >sigma
1 65 VAL 5 0 46 0 0.0 . >sigma
1 66 LYS 7 0 41 0 0.0 . >sigma
1 67 ILE 6 0 67 0 0.0 . >sigma
1 68 GLU 5 0 22 0 0.0 . >sigma
1 69 GLY 3 0 16 0 0.0 . >sigma
1 70 TYR 6 0 50 0 0.0 . >sigma
1 71 ASP 4 0 18 0 0.0 . >sigma
1 72 ASP 4 0 35 0 0.0 . >sigma
1 73 GLN 7 0 31 0 0.0 . >sigma
1 74 VAL 5 0 39 0 0.0 . >sigma
1 75 LEU 7 0 62 0 0.0 . >sigma
1 76 ILE 6 0 59 0 0.0 . >sigma
1 77 THR 4 0 40 0 0.0 . >sigma
1 78 GLU 5 0 28 0 0.0 . >sigma
1 79 HIS 6 0 34 0 0.0 . >sigma
1 80 GLY 3 0 24 0 0.0 . >sigma
1 81 ASP 4 0 21 0 0.0 . >sigma
1 82 LEU 7 0 48 0 0.0 . >sigma
1 83 GLY 3 0 11 0 0.0 . >sigma
1 84 ASN 6 0 16 0 0.0 . >sigma
1 85 GLY 3 0 11 0 0.0 . >sigma
1 86 ARG 7 0 60 0 0.0 . >sigma
1 87 PHE 7 0 62 0 0.0 . >sigma
1 88 LEU 7 0 39 0 0.0 . >sigma
1 89 ASP 4 0 26 0 0.0 . >sigma
1 90 PRO 5 0 42 0 0.0 . >sigma
1 91 ARG 7 0 42 0 0.0 . >sigma
1 92 ASN 6 0 37 0 0.0 . >sigma
1 93 LYS 7 0 41 0 0.0 . >sigma
1 94 ILE 6 0 56 0 0.0 . >sigma
1 95 SER 4 0 25 0 0.0 . >sigma
1 96 PHE 7 0 63 0 0.0 . >sigma
1 97 LYS 7 0 41 0 0.0 . >sigma
1 98 PHE 7 0 60 0 0.0 . >sigma
1 99 ASP 4 0 16 0 0.0 . >sigma
1 100 HIS 6 0 34 0 0.0 . >sigma
1 101 LEU 7 0 21 0 0.0 . >sigma
1 102 ARG 7 0 21 0 0.0 . >sigma
1 103 LYS 7 0 9 0 0.0 . >sigma
1 104 GLU 5 0 14 0 0.0 . >sigma
1 105 ALA 3 0 29 0 0.0 . >sigma
1 106 SER 4 0 17 0 0.0 . >sigma
1 107 ASP 4 0 12 0 0.0 . >sigma
1 108 PRO 5 0 39 0 0.0 . >sigma
1 109 GLN 7 0 27 0 0.0 . >sigma
1 110 PRO 5 0 14 0 0.0 . >sigma
1 111 GLU 5 0 20 0 0.0 . >sigma
1 112 ASP 4 0 5 0 0.0 . >sigma
1 113 THR 4 0 22 0 0.0 . >sigma
1 114 GLU 5 0 20 0 0.0 . >sigma
1 115 SER 4 0 21 0 0.0 . >sigma
1 116 ALA 3 0 15 0 0.0 . >sigma
1 117 LEU 7 0 58 0 0.0 . >sigma
1 118 LYS 7 0 74 0 0.0 . >sigma
1 119 GLN 7 0 17 0 0.0 . >sigma
1 120 TRP 10 0 54 0 0.0 . >sigma
1 121 ARG 7 0 92 0 0.0 . >sigma
1 122 ASP 4 0 22 0 0.0 . >sigma
1 123 ALA 3 0 18 0 0.0 . >sigma
1 124 CYS 4 0 28 0 0.0 . >sigma
1 125 ASP 4 0 33 0 0.0 . >sigma
1 126 SER 4 0 21 0 0.0 . >sigma
1 127 ALA 3 0 21 0 0.0 . >sigma
1 128 LEU 7 0 69 0 0.0 . >sigma
1 129 ARG 7 0 39 0 0.0 . >sigma
1 130 ALA 3 0 17 0 0.0 . >sigma
1 131 TYR 6 0 51 0 0.0 . >sigma
1 132 VAL 5 0 55 0 0.0 . >sigma
1 133 LYS 7 0 18 0 0.0 . >sigma
1 134 ASP 4 0 19 0 0.0 . >sigma
1 135 HIS 6 0 32 0 0.0 . >sigma
1 136 TYR 6 0 62 0 0.0 . >sigma
1 137 PRO 5 0 28 0 0.0 . >sigma
1 138 ASN 6 0 23 0 0.0 . >sigma
1 139 GLY 3 0 20 0 0.0 . >sigma
1 140 PHE 7 0 47 0 0.0 . >sigma
1 141 CYS 4 0 32 0 0.0 . >sigma
1 142 THR 4 0 36 0 0.0 . >sigma
1 143 VAL 5 0 52 0 0.0 . >sigma
1 144 TYR 6 0 55 0 0.0 . >sigma
1 145 GLY 3 0 31 0 0.0 . >sigma
1 146 LYS 7 0 27 0 0.0 . >sigma
1 147 SER 4 0 14 0 0.0 . >sigma
1 148 ILE 6 0 23 0 0.0 . >sigma
1 149 ASP 4 0 5 0 0.0 . >sigma
1 150 GLY 3 0 6 0 0.0 . >sigma
1 151 GLN 7 0 17 0 0.0 . >sigma
1 152 GLN 7 0 28 0 0.0 . >sigma
1 153 THR 4 0 36 0 0.0 . >sigma
1 154 ILE 6 0 66 0 0.0 . >sigma
1 155 ILE 6 0 49 0 0.0 . >sigma
1 156 ALA 3 0 33 0 0.0 . >sigma
1 157 CYS 4 0 28 0 0.0 . >sigma
1 158 ILE 6 0 61 0 0.0 . >sigma
1 159 GLU 5 0 45 0 0.0 . >sigma
1 160 SER 4 0 30 0 0.0 . >sigma
1 161 HIS 6 0 47 0 0.0 . >sigma
1 162 GLN 7 0 35 0 0.0 . >sigma
1 163 PHE 7 0 51 0 0.0 . >sigma
1 164 GLN 7 0 20 0 0.0 . >sigma
1 165 PRO 5 0 18 0 0.0 . >sigma
1 166 LYS 7 0 14 0 0.0 . >sigma
1 167 ASN 6 0 21 0 0.0 . >sigma
1 168 PHE 7 0 31 0 0.0 . >sigma
1 169 TRP 10 0 65 0 0.0 . >sigma
1 170 ASN 6 0 35 0 0.0 . >sigma
1 171 GLY 3 0 28 0 0.0 . >sigma
1 172 ARG 7 0 81 0 0.0 . >sigma
1 173 TRP 10 0 81 0 0.0 . >sigma
1 174 ARG 7 0 59 0 0.0 . >sigma
1 175 SER 4 0 33 0 0.0 . >sigma
1 176 GLU 5 0 32 0 0.0 . >sigma
1 177 TRP 10 0 69 0 0.0 . >sigma
1 178 LYS 7 0 42 0 0.0 . >sigma
1 179 PHE 7 0 65 0 0.0 . >sigma
1 180 THR 4 0 24 0 0.0 . >sigma
1 181 ILE 6 0 51 0 0.0 . >sigma
1 182 THR 4 0 13 0 0.0 . >sigma
1 183 PRO 5 0 18 0 0.0 . >sigma
1 184 PRO 5 0 9 0 0.0 . >sigma
1 185 THR 4 0 29 0 0.0 . >sigma
1 186 ALA 3 0 28 0 0.0 . >sigma
1 187 GLN 7 0 16 0 0.0 . >sigma
1 188 VAL 5 0 56 0 0.0 . >sigma
1 189 ALA 3 0 28 0 0.0 . >sigma
1 190 ALA 3 0 35 0 0.0 . >sigma
1 191 VAL 5 0 36 0 0.0 . >sigma
1 192 LEU 7 0 60 0 0.0 . >sigma
1 193 LYS 7 0 46 0 0.0 . >sigma
1 194 ILE 6 0 52 0 0.0 . >sigma
1 195 GLN 7 0 42 0 0.0 . >sigma
1 196 VAL 5 0 56 0 0.0 . >sigma
1 197 HIS 6 0 40 0 0.0 . >sigma
1 198 TYR 6 0 52 0 0.0 . >sigma
1 199 TYR 6 0 48 0 0.0 . >sigma
1 200 GLU 5 0 20 0 0.0 . >sigma
1 201 ASP 4 0 11 0 0.0 . >sigma
1 202 GLY 3 0 20 0 0.0 . >sigma
1 203 ASN 6 0 35 0 0.0 . >sigma
1 204 VAL 5 0 49 0 0.0 . >sigma
1 205 GLN 7 0 49 0 0.0 . >sigma
1 206 LEU 7 0 70 0 0.0 . >sigma
1 207 VAL 5 0 32 0 0.0 . >sigma
1 208 SER 4 0 32 0 0.0 . >sigma
1 209 HIS 6 0 20 0 0.0 . >sigma
1 210 LYS 7 0 64 0 0.0 . >sigma
1 211 ASP 4 0 11 0 0.0 . >sigma
1 212 ILE 6 0 37 0 0.0 . >sigma
1 213 GLN 7 0 16 0 0.0 . >sigma
1 214 ASP 4 0 21 0 0.0 . >sigma
1 215 SER 4 0 14 0 0.0 . >sigma
1 216 VAL 5 0 42 0 0.0 . >sigma
1 217 GLN 7 0 18 0 0.0 . >sigma
1 218 VAL 5 0 44 0 0.0 . >sigma
1 219 SER 4 0 17 0 0.0 . >sigma
1 220 SER 4 0 22 0 0.0 . >sigma
1 221 ASP 4 0 27 0 0.0 . >sigma
1 222 VAL 5 0 21 0 0.0 . >sigma
1 223 GLN 7 0 30 0 0.0 . >sigma
1 224 THR 4 0 38 0 0.0 . >sigma
1 225 ALA 3 0 24 0 0.0 . >sigma
1 226 LYS 7 0 26 0 0.0 . >sigma
1 227 GLU 5 0 32 0 0.0 . >sigma
1 228 PHE 7 0 64 0 0.0 . >sigma
1 229 ILE 6 0 57 0 0.0 . >sigma
1 230 LYS 7 0 43 0 0.0 . >sigma
1 231 ILE 6 0 61 0 0.0 . >sigma
1 232 ILE 6 0 65 0 0.0 . >sigma
1 233 GLU 5 0 38 0 0.0 . >sigma
1 234 ASN 6 0 30 0 0.0 . >sigma
1 235 ALA 3 0 27 0 0.0 . >sigma
1 236 GLU 5 0 44 0 0.0 . >sigma
1 237 ASN 6 0 37 0 0.0 . >sigma
1 238 GLU 5 0 24 0 0.0 . >sigma
1 239 TYR 6 0 60 0 0.0 . >sigma
1 240 GLN 7 0 42 0 0.0 . >sigma
1 241 THR 4 0 27 0 0.0 . >sigma
1 242 ALA 3 0 29 0 0.0 . >sigma
1 243 ILE 6 0 60 0 0.0 . >sigma
1 244 SER 4 0 19 0 0.0 . >sigma
1 245 GLU 5 0 17 0 0.0 . >sigma
1 246 ASN 6 0 42 0 0.0 . >sigma
1 247 TYR 6 0 47 0 0.0 . >sigma
1 248 GLN 7 0 15 0 0.0 . >sigma
1 249 THR 4 0 35 0 0.0 . >sigma
1 250 MET 6 0 69 0 0.0 . >sigma
1 251 SER 4 0 25 0 0.0 . >sigma
1 252 ASP 4 0 6 0 0.0 . >sigma
1 253 THR 4 0 27 0 0.0 . >sigma
1 254 THR 4 0 36 0 0.0 . >sigma
1 255 PHE 7 0 68 0 0.0 . >sigma
1 256 LYS 7 0 23 0 0.0 . >sigma
1 257 ALA 3 0 24 0 0.0 . >sigma
1 258 LEU 7 0 57 0 0.0 . >sigma
1 259 ARG 7 0 75 0 0.0 . >sigma
1 260 ARG 7 0 43 0 0.0 . >sigma
1 261 GLN 7 0 24 0 0.0 . >sigma
1 262 LEU 7 0 30 0 0.0 . >sigma
1 263 PRO 5 0 50 0 0.0 . >sigma
1 264 VAL 5 0 40 0 0.0 . >sigma
1 265 THR 4 0 16 0 0.0 . >sigma
1 266 ARG 7 0 22 0 0.0 . >sigma
1 267 THR 4 0 15 0 0.0 . >sigma
1 268 LYS 7 0 26 0 0.0 . >sigma
1 269 ILE 6 0 59 0 0.0 . >sigma
1 270 ASP 4 0 14 0 0.0 . >sigma
1 271 TRP 10 0 75 0 0.0 . >sigma
1 272 ASN 6 0 22 0 0.0 . >sigma
1 273 LYS 7 0 26 0 0.0 . >sigma
1 274 ILE 6 0 56 0 0.0 . >sigma
1 275 LEU 7 0 42 0 0.0 . >sigma
1 276 SER 4 0 11 0 0.0 . >sigma
1 277 TYR 6 0 17 0 0.0 . >sigma
1 278 LYS 7 0 29 0 0.0 . >sigma
1 279 ILE 6 0 15 0 0.0 . >sigma
1 280 GLY 3 0 19 0 0.0 . >sigma
1 281 LYS 7 0 15 0 0.0 . >sigma
2 2 SER 4 0 12 0 0.0 . >sigma
2 3 ASP 4 0 15 0 0.0 . >sigma
2 4 GLN 7 0 25 0 0.0 . >sigma
2 5 GLN 7 0 49 0 0.0 . >sigma
2 6 LEU 7 0 44 0 0.0 . >sigma
2 7 ASP 4 0 20 0 0.0 . >sigma
2 8 CYS 4 0 28 0 0.0 . >sigma
2 9 ALA 3 0 36 0 0.0 . >sigma
2 10 LEU 7 0 37 0 0.0 . >sigma
2 11 ASP 4 0 15 0 0.0 . >sigma
2 12 LEU 7 0 67 0 0.0 . >sigma
2 13 MET 6 0 48 0 0.0 . >sigma
2 14 ARG 7 0 45 0 0.0 . >sigma
2 15 ARG 7 0 61 0 0.0 . >sigma
2 16 LEU 7 0 53 0 0.0 . >sigma
2 17 PRO 5 0 41 0 0.0 . >sigma
2 18 PRO 5 0 48 0 0.0 . >sigma
2 19 GLN 7 0 46 0 0.0 . >sigma
2 20 GLN 7 0 40 0 0.0 . >sigma
2 21 ILE 6 0 50 0 0.0 . >sigma
2 22 GLU 5 0 23 0 0.0 . >sigma
2 23 LYS 7 0 27 0 0.0 . >sigma
2 24 ASN 6 0 38 0 0.0 . >sigma
2 25 LEU 7 0 60 0 0.0 . >sigma
2 26 SER 4 0 18 0 0.0 . >sigma
2 27 ASP 4 0 23 0 0.0 . >sigma
2 28 LEU 7 0 62 0 0.0 . >sigma
2 29 ILE 6 0 44 0 0.0 . >sigma
2 30 ASP 4 0 16 0 0.0 . >sigma
2 31 LEU 7 0 77 0 0.0 . >sigma
2 32 VAL 5 0 46 0 0.0 . >sigma
2 33 PRO 5 0 21 0 0.0 . >sigma
2 34 SER 4 0 10 0 0.0 . >sigma
2 35 LEU 7 0 49 0 0.0 . >sigma
2 36 CYS 4 0 24 0 0.0 . >sigma
2 37 GLU 5 0 14 0 0.0 . >sigma
2 38 ASP 4 0 21 0 0.0 . >sigma
2 39 LEU 7 0 69 0 0.0 . >sigma
2 40 LEU 7 0 36 0 0.0 . >sigma
2 41 SER 4 0 17 0 0.0 . >sigma
2 42 SER 4 0 11 0 0.0 . >sigma
2 43 VAL 5 0 37 0 0.0 . >sigma
2 44 ASP 4 0 14 0 0.0 . >sigma
2 45 GLN 7 0 28 0 0.0 . >sigma
2 46 PRO 5 0 34 0 0.0 . >sigma
2 47 LEU 7 0 59 0 0.0 . >sigma
2 48 LYS 7 0 25 0 0.0 . >sigma
2 49 ILE 6 0 41 0 0.0 . >sigma
2 50 ALA 3 0 18 0 0.0 . >sigma
2 51 ARG 7 0 35 0 0.0 . >sigma
2 52 ASP 4 0 27 0 0.0 . >sigma
2 53 LYS 7 0 22 0 0.0 . >sigma
2 54 VAL 5 0 22 0 0.0 . >sigma
2 55 VAL 5 0 39 0 0.0 . >sigma
2 56 GLY 3 0 19 0 0.0 . >sigma
2 57 LYS 7 0 38 0 0.0 . >sigma
2 58 ASP 4 0 22 0 0.0 . >sigma
2 59 TYR 6 0 57 0 0.0 . >sigma
2 60 LEU 7 0 73 0 0.0 . >sigma
2 61 LEU 7 0 47 0 0.0 . >sigma
2 62 CYS 4 0 21 0 0.0 . >sigma
2 63 ASP 4 0 19 0 0.0 . >sigma
2 64 TYR 6 0 39 0 0.0 . >sigma
2 65 ASN 6 0 40 0 0.0 . >sigma
2 66 ARG 7 0 41 0 0.0 . >sigma
2 67 ASP 4 0 23 0 0.0 . >sigma
2 68 GLY 3 0 9 0 0.0 . >sigma
2 69 ASP 4 0 8 0 0.0 . >sigma
2 70 SER 4 0 29 0 0.0 . >sigma
2 71 TYR 6 0 47 0 0.0 . >sigma
2 72 ARG 7 0 56 0 0.0 . >sigma
2 73 SER 4 0 22 0 0.0 . >sigma
2 74 PRO 5 0 47 0 0.0 . >sigma
2 75 TRP 10 0 56 0 0.0 . >sigma
2 76 SER 4 0 23 0 0.0 . >sigma
2 77 ASN 6 0 31 0 0.0 . >sigma
2 78 LYS 7 0 27 0 0.0 . >sigma
2 79 TYR 6 0 58 0 0.0 . >sigma
2 80 ASP 4 0 11 0 0.0 . >sigma
2 81 PRO 5 0 13 0 0.0 . >sigma
2 82 PRO 5 0 12 0 0.0 . >sigma
2 83 LEU 7 0 38 0 0.0 . >sigma
2 84 GLU 5 0 9 0 0.0 . >sigma
2 85 ASP 4 0 7 0 0.0 . >sigma
2 86 GLY 3 0 18 0 0.0 . >sigma
2 87 ALA 3 0 11 0 0.0 . >sigma
2 88 MET 6 0 24 0 0.0 . >sigma
2 89 PRO 5 0 40 0 0.0 . >sigma
2 90 SER 4 0 12 0 0.0 . >sigma
2 91 ALA 3 0 11 0 0.0 . >sigma
2 92 ARG 7 0 15 0 0.0 . >sigma
2 93 LEU 7 0 54 0 0.0 . >sigma
2 94 ARG 7 0 63 0 0.0 . >sigma
2 95 LYS 7 0 28 0 0.0 . >sigma
2 96 LEU 7 0 48 0 0.0 . >sigma
2 97 GLU 5 0 51 0 0.0 . >sigma
2 98 VAL 5 0 34 0 0.0 . >sigma
2 99 GLU 5 0 28 0 0.0 . >sigma
2 100 ALA 3 0 35 0 0.0 . >sigma
2 101 ASN 6 0 35 0 0.0 . >sigma
2 102 ASN 6 0 14 0 0.0 . >sigma
2 103 ALA 3 0 28 0 0.0 . >sigma
2 104 PHE 7 0 66 0 0.0 . >sigma
2 105 ASP 4 0 19 0 0.0 . >sigma
2 106 GLN 7 0 32 0 0.0 . >sigma
2 107 TYR 6 0 60 0 0.0 . >sigma
2 108 ARG 7 0 64 0 0.0 . >sigma
2 109 ASP 4 0 21 0 0.0 . >sigma
2 110 LEU 7 0 47 0 0.0 . >sigma
2 111 TYR 6 0 56 0 0.0 . >sigma
2 112 PHE 7 0 69 0 0.0 . >sigma
2 113 GLU 5 0 14 0 0.0 . >sigma
2 114 GLY 3 0 14 0 0.0 . >sigma
2 115 GLY 3 0 15 0 0.0 . >sigma
2 116 VAL 5 0 42 0 0.0 . >sigma
2 117 SER 4 0 34 0 0.0 . >sigma
2 118 SER 4 0 33 0 0.0 . >sigma
2 119 VAL 5 0 52 0 0.0 . >sigma
2 120 TYR 6 0 51 0 0.0 . >sigma
2 121 LEU 7 0 62 0 0.0 . >sigma
2 122 TRP 10 0 44 0 0.0 . >sigma
2 123 ASP 4 0 14 0 0.0 . >sigma
2 124 LEU 7 0 38 0 0.0 . >sigma
2 125 ASP 4 0 10 0 0.0 . >sigma
2 126 HIS 6 0 9 0 0.0 . >sigma
2 127 GLY 3 0 18 0 0.0 . >sigma
2 128 PHE 7 0 59 0 0.0 . >sigma
2 129 ALA 3 0 31 0 0.0 . >sigma
2 130 GLY 3 0 19 0 0.0 . >sigma
2 131 VAL 5 0 61 0 0.0 . >sigma
2 132 ILE 6 0 62 0 0.0 . >sigma
2 133 LEU 7 0 65 0 0.0 . >sigma
2 134 ILE 6 0 66 0 0.0 . >sigma
2 135 LYS 7 0 52 0 0.0 . >sigma
2 136 LYS 7 0 59 0 0.0 . >sigma
2 137 ALA 3 0 17 0 0.0 . >sigma
2 138 GLY 3 0 14 0 0.0 . >sigma
2 139 ASP 4 0 18 0 0.0 . >sigma
2 140 GLY 3 0 9 0 0.0 . >sigma
2 141 SER 4 0 10 0 0.0 . >sigma
2 142 LYS 7 0 40 0 0.0 . >sigma
2 143 LYS 7 0 61 0 0.0 . >sigma
2 144 ILE 6 0 69 0 0.0 . >sigma
2 145 LYS 7 0 23 0 0.0 . >sigma
2 146 GLY 3 0 18 0 0.0 . >sigma
2 147 CYS 4 0 23 0 0.0 . >sigma
2 148 TRP 10 0 83 0 0.0 . >sigma
2 149 ASP 4 0 31 0 0.0 . >sigma
2 150 SER 4 0 32 0 0.0 . >sigma
2 151 ILE 6 0 45 0 0.0 . >sigma
2 152 HIS 6 0 48 0 0.0 . >sigma
2 153 VAL 5 0 35 0 0.0 . >sigma
2 154 VAL 5 0 48 0 0.0 . >sigma
2 155 GLU 5 0 28 0 0.0 . >sigma
2 156 VAL 5 0 46 0 0.0 . >sigma
2 157 GLN 7 0 27 0 0.0 . >sigma
2 158 GLU 5 0 25 0 0.0 . >sigma
2 159 LYS 7 0 37 0 0.0 . >sigma
2 160 SER 4 0 7 0 0.0 . >sigma
2 161 SER 4 0 7 0 0.0 . >sigma
2 162 GLY 3 0 10 0 0.0 . >sigma
2 163 ARG 7 0 27 0 0.0 . >sigma
2 164 THR 4 0 27 0 0.0 . >sigma
2 165 ALA 3 0 29 0 0.0 . >sigma
2 166 HIS 6 0 36 0 0.0 . >sigma
2 167 TYR 6 0 47 0 0.0 . >sigma
2 168 LYS 7 0 30 0 0.0 . >sigma
2 169 LEU 7 0 59 0 0.0 . >sigma
2 170 THR 4 0 23 0 0.0 . >sigma
2 171 SER 4 0 23 0 0.0 . >sigma
2 172 THR 4 0 31 0 0.0 . >sigma
2 173 VAL 5 0 54 0 0.0 . >sigma
2 174 MET 6 0 50 0 0.0 . >sigma
2 175 LEU 7 0 56 0 0.0 . >sigma
2 176 TRP 10 0 60 0 0.0 . >sigma
2 177 LEU 7 0 72 0 0.0 . >sigma
2 178 GLN 7 0 33 0 0.0 . >sigma
2 179 THR 4 0 41 0 0.0 . >sigma
2 180 ASN 6 0 11 0 0.0 . >sigma
2 181 LYS 7 0 41 0 0.0 . >sigma
2 182 THR 4 0 12 0 0.0 . >sigma
2 183 GLY 3 0 18 0 0.0 . >sigma
2 184 SER 4 0 34 0 0.0 . >sigma
2 185 GLY 3 0 18 0 0.0 . >sigma
2 186 THR 4 0 13 0 0.0 . >sigma
2 187 MET 6 0 52 0 0.0 . >sigma
2 188 ASN 6 0 27 0 0.0 . >sigma
2 189 LEU 7 0 66 0 0.0 . >sigma
2 190 GLY 3 0 26 0 0.0 . >sigma
2 191 GLY 3 0 23 0 0.0 . >sigma
2 192 SER 4 0 26 0 0.0 . >sigma
2 193 LEU 7 0 55 0 0.0 . >sigma
2 194 THR 4 0 20 0 0.0 . >sigma
2 195 ARG 7 0 43 0 0.0 . >sigma
2 196 GLN 7 0 26 0 0.0 . >sigma
2 197 MET 6 0 39 0 0.0 . >sigma
2 198 GLU 5 0 22 0 0.0 . >sigma
2 199 LYS 7 0 27 0 0.0 . >sigma
2 200 ASP 4 0 11 0 0.0 . >sigma
2 201 GLU 5 0 31 0 0.0 . >sigma
2 202 THR 4 0 15 0 0.0 . >sigma
2 203 VAL 5 0 41 0 0.0 . >sigma
2 204 SER 4 0 18 0 0.0 . >sigma
2 205 ASP 4 0 13 0 0.0 . >sigma
2 206 SER 4 0 14 0 0.0 . >sigma
2 207 SER 4 0 15 0 0.0 . >sigma
2 208 PRO 5 0 28 0 0.0 . >sigma
2 209 HIS 6 0 41 0 0.0 . >sigma
2 210 ILE 6 0 54 0 0.0 . >sigma
2 211 ALA 3 0 30 0 0.0 . >sigma
2 212 ASN 6 0 36 0 0.0 . >sigma
2 213 ILE 6 0 59 0 0.0 . >sigma
2 214 GLY 3 0 27 0 0.0 . >sigma
2 215 ARG 7 0 34 0 0.0 . >sigma
2 216 LEU 7 0 48 0 0.0 . >sigma
2 217 VAL 5 0 58 0 0.0 . >sigma
2 218 GLU 5 0 41 0 0.0 . >sigma
2 219 ASP 4 0 24 0 0.0 . >sigma
2 220 MET 6 0 59 0 0.0 . >sigma
2 221 GLU 5 0 41 0 0.0 . >sigma
2 222 ASN 6 0 29 0 0.0 . >sigma
2 223 LYS 7 0 37 0 0.0 . >sigma
2 224 ILE 6 0 56 0 0.0 . >sigma
2 225 ARG 7 0 74 0 0.0 . >sigma
2 226 SER 4 0 16 0 0.0 . >sigma
2 227 THR 4 0 27 0 0.0 . >sigma
2 228 LEU 7 0 70 0 0.0 . >sigma
2 229 ASN 6 0 38 0 0.0 . >sigma
2 230 GLU 5 0 19 0 0.0 . >sigma
2 231 ILE 6 0 59 0 0.0 . >sigma
2 232 TYR 6 0 62 0 0.0 . >sigma
2 233 PHE 7 0 65 0 0.0 . >sigma
2 234 GLY 3 0 13 0 0.0 . >sigma
2 235 LYS 7 0 46 0 0.0 . >sigma
2 236 THR 4 0 40 0 0.0 . >sigma
2 237 LYS 7 0 45 0 0.0 . >sigma
2 238 ASP 4 0 23 0 0.0 . >sigma
2 239 ILE 6 0 61 0 0.0 . >sigma
2 240 VAL 5 0 50 0 0.0 . >sigma
2 241 ASN 6 0 23 0 0.0 . >sigma
2 242 GLY 3 0 13 0 0.0 . >sigma
2 243 LEU 7 0 60 0 0.0 . >sigma
2 244 ARG 7 0 62 0 0.0 . >sigma
2 245 SER 4 0 22 0 0.0 . >sigma
2 246 ILE 6 0 34 0 0.0 . >sigma
2 247 ASP 4 0 8 0 0.0 . >sigma
2 248 ALA 3 0 11 0 0.0 . >sigma
2 249 ILE 6 0 27 0 0.0 . >sigma
2 250 PRO 5 0 6 0 0.0 . >sigma
2 251 ASP 4 0 5 0 0.0 . >sigma
2 252 ASN 6 0 12 0 0.0 . >sigma
2 253 GLN 7 0 11 0 0.0 . >sigma
2 254 LYS 7 0 18 0 0.0 . >sigma
2 255 TYR 6 0 23 0 0.0 . >sigma
2 256 LYS 7 0 17 0 0.0 . >sigma
2 257 GLN 7 0 20 0 0.0 . >sigma
2 258 LEU 7 0 26 0 0.0 . >sigma
2 259 GLN 7 0 21 0 0.0 . >sigma
2 260 ARG 7 0 23 0 0.0 . >sigma
2 261 GLU 5 0 19 0 0.0 . >sigma
2 262 LEU 7 0 27 0 0.0 . >sigma
2 263 SER 4 0 15 0 0.0 . >sigma
2 264 GLN 7 0 14 0 0.0 . >sigma
2 265 VAL 5 0 25 0 0.0 . >sigma
2 266 LEU 7 0 30 0 0.0 . >sigma
2 267 THR 4 0 20 0 0.0 . >sigma
2 268 GLN 7 0 12 0 0.0 . >sigma
2 269 ARG 7 0 23 0 0.0 . >sigma
2 270 GLN 7 0 20 0 0.0 . >sigma
2 271 ILE 6 0 7 0 0.0 . >sigma
3 4 GLY 3 0 3 0 0.0 . >sigma
3 5 SER 4 0 7 0 0.0 . >sigma
3 6 TRP 10 0 7 0 0.0 . >sigma
3 7 GLY 3 0 6 0 0.0 . >sigma
3 8 CYS 4 0 7 0 0.0 . >sigma
3 9 VAL 5 0 10 0 0.0 . >sigma
3 10 ARG 7 0 11 0 0.0 . >sigma
3 11 GLN 7 0 10 0 0.0 . >sigma
3 12 GLU 5 0 10 0 0.0 . >sigma
3 13 LYS 7 0 9 0 0.0 . >sigma
3 14 ARG 7 0 9 0 0.0 . >sigma
3 15 SER 4 0 9 0 0.0 . >sigma
3 16 SER 4 0 8 0 0.0 . >sigma
3 17 GLY 3 0 7 0 0.0 . >sigma
3 18 LEU 7 0 7 0 0.0 . >sigma
3 19 ILE 6 0 9 0 0.0 . >sigma
3 20 SER 4 0 9 0 0.0 . >sigma
3 21 GLU 5 0 9 0 0.0 . >sigma
3 22 LEU 7 0 12 0 0.0 . >sigma
3 23 PRO 5 0 12 0 0.0 . >sigma
3 24 SER 4 0 16 0 0.0 . >sigma
3 25 GLU 5 0 12 0 0.0 . >sigma
3 26 GLU 5 0 11 0 0.0 . >sigma
3 27 GLY 3 0 8 0 0.0 . >sigma
3 28 ARG 7 0 8 0 0.0 . >sigma
3 29 ARG 7 0 9 0 0.0 . >sigma
3 30 LEU 7 0 10 0 0.0 . >sigma
3 31 GLU 5 0 10 0 0.0 . >sigma
3 32 HIS 6 0 8 0 0.0 . >sigma
3 33 PHE 7 0 9 0 0.0 . >sigma
3 34 THR 4 0 9 0 0.0 . >sigma
3 35 LYS 7 0 7 0 0.0 . >sigma
3 36 LEU 7 0 7 0 0.0 . >sigma
3 37 ARG 7 0 9 0 0.0 . >sigma
3 38 PRO 5 0 10 0 0.0 . >sigma
3 39 LYS 7 0 10 0 0.0 . >sigma
3 40 ARG 7 0 10 0 0.0 . >sigma
3 41 ASN 6 0 8 0 0.0 . >sigma
3 42 LYS 7 0 7 0 0.0 . >sigma
3 43 LYS 7 0 9 0 0.0 . >sigma
3 44 GLN 7 0 10 0 0.0 . >sigma
3 45 GLN 7 0 10 0 0.0 . >sigma
3 46 PRO 5 0 8 0 0.0 . >sigma
3 47 THR 4 0 7 0 0.0 . >sigma
3 48 GLN 7 0 9 0 0.0 . >sigma
3 49 ALA 3 0 9 0 0.0 . >sigma
3 50 ALA 3 0 8 0 0.0 . >sigma
3 51 VAL 5 0 10 0 0.0 . >sigma
3 52 CYS 4 0 12 0 0.0 . >sigma
3 53 THR 4 0 8 0 0.0 . >sigma
3 54 ILE 6 0 10 0 0.0 . >sigma
3 55 SER 4 0 10 0 0.0 . >sigma
3 56 ILE 6 0 10 0 0.0 . >sigma
3 57 LEU 7 0 10 0 0.0 . >sigma
3 58 PRO 5 0 11 0 0.0 . >sigma
3 59 GLN 7 0 8 0 0.0 . >sigma
3 60 ASP 4 0 9 0 0.0 . >sigma
3 61 GLY 3 0 7 0 0.0 . >sigma
3 62 GLU 5 0 8 0 0.0 . >sigma
3 63 GLN 7 0 9 0 0.0 . >sigma
3 64 ASN 6 0 7 0 0.0 . >sigma
3 65 GLY 3 0 6 0 0.0 . >sigma
3 66 LEU 7 0 9 0 0.0 . >sigma
3 67 MET 6 0 10 0 0.0 . >sigma
3 68 GLY 3 0 7 0 0.0 . >sigma
3 69 ARG 7 0 8 0 0.0 . >sigma
3 70 VAL 5 0 10 0 0.0 . >sigma
3 71 ASP 4 0 8 0 0.0 . >sigma
3 72 GLU 5 0 9 0 0.0 . >sigma
3 73 GLY 3 0 8 0 0.0 . >sigma
3 74 VAL 5 0 8 0 0.0 . >sigma
3 75 ASP 4 0 8 0 0.0 . >sigma
3 76 GLU 5 0 7 0 0.0 . >sigma
3 77 PHE 7 0 9 0 0.0 . >sigma
3 78 PHE 7 0 10 0 0.0 . >sigma
3 79 THR 4 0 8 0 0.0 . >sigma
3 80 LYS 7 0 8 0 0.0 . >sigma
3 81 LYS 7 0 9 0 0.0 . >sigma
3 82 VAL 5 0 9 0 0.0 . >sigma
3 83 THR 4 0 8 0 0.0 . >sigma
3 84 GLY 3 0 6 0 0.0 . >sigma
3 85 CYS 4 0 6 0 0.0 . >sigma
stop_
save_
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