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 |
|
|
575883 |
2m6k   |
19143 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_2m6k
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 30
_NOE_completeness_stats.Residue_count 315
_NOE_completeness_stats.Total_atom_count 4462
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 1568
_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 6.0
_NOE_completeness_stats.Constraint_unexpanded_count 918
_NOE_completeness_stats.Constraint_count 918
_NOE_completeness_stats.Constraint_exp_unfiltered_count 4200
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 132
_NOE_completeness_stats.Constraint_intraresidue_count 37
_NOE_completeness_stats.Constraint_surplus_count 0
_NOE_completeness_stats.Constraint_observed_count 749
_NOE_completeness_stats.Constraint_expected_count 4200
_NOE_completeness_stats.Constraint_matched_count 251
_NOE_completeness_stats.Constraint_unmatched_count 498
_NOE_completeness_stats.Constraint_exp_nonobs_count 3949
_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 230 1365 148 10.8 1.0 >sigma
medium-range 187 1005 34 3.4 -0.6 .
long-range 332 1830 69 3.8 -0.5 .
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 59 9 0 0 0 0 1 0 5 0 . 3 15.3 15.3
shell 2.00 2.50 538 35 0 0 0 0 5 0 17 0 . 13 6.5 7.4
shell 2.50 3.00 778 105 0 0 0 0 56 0 34 0 . 15 13.5 10.8
shell 3.00 3.50 1015 41 0 0 0 0 1 0 16 0 . 24 4.0 7.9
shell 3.50 4.00 1810 61 0 0 0 0 6 0 24 0 . 31 3.4 6.0
shell 4.00 4.50 2875 127 0 0 0 0 28 0 58 0 . 41 4.4 5.3
shell 4.50 5.00 3701 107 0 0 0 0 0 0 53 0 . 54 2.9 4.5
shell 5.00 5.50 4493 81 0 0 0 0 0 0 32 2 . 47 1.8 3.7
shell 5.50 6.00 5163 57 0 0 0 0 0 0 0 10 . 47 1.1 3.0
shell 6.00 6.50 5794 52 0 0 0 0 0 0 0 0 . 52 0.9 2.6
shell 6.50 7.00 6621 25 0 0 0 0 0 0 0 0 . 25 0.4 2.1
shell 7.00 7.50 7061 17 0 0 0 0 0 0 0 0 . 17 0.2 1.8
shell 7.50 8.00 7778 17 0 0 0 0 0 0 0 0 . 17 0.2 1.5
shell 8.00 8.50 8584 14 0 0 0 0 0 0 0 0 . 14 0.2 1.3
shell 8.50 9.00 9230 1 0 0 0 0 0 0 0 0 . 1 0.0 1.1
sums . . 65500 749 0 0 0 0 97 0 239 12 . 401 . .
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 24 ALA 3 0 2 0 0.0 -1.1 >sigma
1 25 ASP 4 1 11 0 0.0 -1.1 >sigma
1 26 TRP 10 1 9 0 0.0 -1.1 >sigma
1 27 PRO 5 0 18 0 0.0 -1.1 >sigma
1 28 ARG 7 5 55 1 1.8 -0.8 .
1 29 GLN 7 4 13 0 0.0 -1.1 >sigma
1 30 ILE 6 11 41 3 7.3 0.1 .
1 31 THR 4 1 15 1 6.7 0.0 .
1 32 ASP 4 4 20 1 5.0 -0.3 .
1 33 SER 4 1 16 1 6.3 -0.0 .
1 34 ARG 7 5 28 2 7.1 0.1 .
1 35 GLY 3 4 11 2 18.2 2.0 >sigma
1 36 THR 4 4 10 2 20.0 2.3 >sigma
1 37 HIS 6 4 28 2 7.1 0.1 .
1 38 THR 4 1 25 0 0.0 -1.1 >sigma
1 39 LEU 7 17 52 6 11.5 0.9 .
1 40 GLU 5 2 15 2 13.3 1.2 >sigma
1 41 SER 4 3 13 1 7.7 0.2 .
1 42 GLN 7 0 30 0 0.0 -1.1 >sigma
1 43 PRO 5 0 44 0 0.0 -1.1 >sigma
1 44 GLN 7 1 16 1 6.3 -0.0 .
1 45 ARG 7 2 55 2 3.6 -0.5 .
1 46 ILE 6 0 47 0 0.0 -1.1 >sigma
1 47 VAL 5 12 54 5 9.3 0.5 .
1 48 SER 4 1 31 0 0.0 -1.1 >sigma
1 49 THR 4 1 23 1 4.3 -0.4 .
1 50 SER 4 2 24 1 4.2 -0.4 .
1 51 VAL 5 8 37 1 2.7 -0.7 .
1 52 THR 4 3 30 2 6.7 0.0 .
1 53 LEU 7 3 62 1 1.6 -0.8 .
1 54 THR 4 3 36 1 2.8 -0.6 .
1 55 GLY 3 3 25 2 8.0 0.3 .
1 56 SER 4 4 32 1 3.1 -0.6 .
1 57 LEU 7 0 64 0 0.0 -1.1 >sigma
1 58 LEU 7 15 54 1 1.9 -0.8 .
1 59 ALA 3 3 28 0 0.0 -1.1 >sigma
1 60 ILE 6 5 50 0 0.0 -1.1 >sigma
1 61 ASP 4 2 13 1 7.7 0.2 .
1 62 ALA 3 1 18 1 5.6 -0.2 .
1 63 PRO 5 0 50 0 0.0 -1.1 >sigma
1 64 VAL 5 17 45 5 11.1 0.8 .
1 65 ILE 6 10 55 3 5.5 -0.2 .
1 66 ALA 3 6 35 2 5.7 -0.1 .
1 67 SER 4 6 32 2 6.3 -0.0 .
1 68 GLY 3 2 21 0 0.0 -1.1 >sigma
1 69 ALA 3 4 35 0 0.0 -1.1 >sigma
1 70 THR 4 4 28 0 0.0 -1.1 >sigma
1 71 THR 4 1 9 0 0.0 -1.1 >sigma
1 72 PRO 5 0 37 0 0.0 -1.1 >sigma
1 73 ASN 6 0 12 0 0.0 -1.1 >sigma
1 74 ASN 6 0 14 0 0.0 -1.1 >sigma
1 75 ARG 7 2 49 1 2.0 -0.8 .
1 76 VAL 5 4 24 3 12.5 1.0 >sigma
1 77 ALA 3 2 14 2 14.3 1.3 >sigma
1 78 ASP 4 1 5 0 0.0 -1.1 >sigma
1 79 ASP 4 1 11 0 0.0 -1.1 >sigma
1 80 GLN 7 2 8 1 12.5 1.0 >sigma
1 81 GLY 3 2 10 1 10.0 0.6 .
1 82 PHE 7 1 45 0 0.0 -1.1 >sigma
1 83 LEU 7 4 16 0 0.0 -1.1 >sigma
1 84 ARG 7 1 30 1 3.3 -0.5 .
1 85 GLN 7 3 55 3 5.5 -0.2 .
1 86 TRP 10 2 15 2 13.3 1.2 >sigma
1 87 SER 4 2 19 2 10.5 0.7 .
1 88 LYS 7 3 42 1 2.4 -0.7 .
1 89 VAL 5 18 39 5 12.8 1.1 >sigma
1 90 ALA 3 4 18 3 16.7 1.7 >sigma
1 91 LYS 7 5 30 4 13.3 1.2 >sigma
1 92 GLU 5 3 35 3 8.6 0.3 .
1 93 ARG 7 2 30 2 6.7 0.0 .
1 94 LYS 7 3 22 2 9.1 0.4 .
1 95 LEU 7 15 44 1 2.3 -0.7 .
1 96 GLN 7 3 28 0 0.0 -1.1 >sigma
1 97 ARG 7 3 83 0 0.0 -1.1 >sigma
1 98 LEU 7 4 41 1 2.4 -0.7 .
1 99 TYR 6 4 25 1 4.0 -0.4 .
1 100 ILE 6 10 19 2 10.5 0.7 .
1 101 GLY 3 3 14 1 7.1 0.1 .
1 102 GLU 5 1 19 0 0.0 -1.1 >sigma
1 103 PRO 5 0 19 0 0.0 -1.1 >sigma
1 104 SER 4 1 13 1 7.7 0.2 .
1 105 ALA 3 4 20 2 10.0 0.6 .
1 106 GLU 5 3 13 2 15.4 1.5 >sigma
1 107 ALA 3 5 17 2 11.8 0.9 .
1 108 VAL 5 18 45 6 13.3 1.2 >sigma
1 109 ALA 3 6 28 4 14.3 1.3 >sigma
1 110 ALA 3 6 20 2 10.0 0.6 .
1 111 GLN 7 3 54 3 5.6 -0.2 .
1 112 MET 6 4 18 1 5.6 -0.2 .
1 113 PRO 5 0 45 0 0.0 -1.1 >sigma
1 114 ASP 4 1 25 1 4.0 -0.4 .
1 115 LEU 7 0 58 0 0.0 -1.1 >sigma
1 116 ILE 6 0 57 0 0.0 -1.1 >sigma
1 117 LEU 7 0 54 0 0.0 -1.1 >sigma
1 118 ILE 6 7 48 1 2.1 -0.8 .
1 119 SER 4 0 16 0 0.0 -1.1 >sigma
1 120 ALA 3 2 17 1 5.9 -0.1 .
1 121 THR 4 2 13 1 7.7 0.2 .
1 122 GLY 3 1 7 0 0.0 -1.1 >sigma
1 123 GLY 3 0 6 0 0.0 -1.1 >sigma
1 124 ASP 4 2 18 0 0.0 -1.1 >sigma
1 125 SER 4 1 10 0 0.0 -1.1 >sigma
1 126 ALA 3 1 18 1 5.6 -0.2 .
1 127 LEU 7 6 20 2 10.0 0.6 .
1 128 ALA 3 4 19 3 15.8 1.6 >sigma
1 129 LEU 7 9 53 2 3.8 -0.5 .
1 130 TYR 6 5 39 4 10.3 0.6 .
1 131 ASP 4 5 16 2 12.5 1.0 >sigma
1 132 GLN 7 5 26 2 7.7 0.2 .
1 133 LEU 7 5 60 2 3.3 -0.5 .
1 134 SER 4 5 22 2 9.1 0.4 .
1 135 THR 4 5 14 2 14.3 1.3 >sigma
1 136 ILE 6 5 45 3 6.7 0.0 .
1 137 ALA 3 2 21 1 4.8 -0.3 .
1 138 PRO 5 0 12 0 0.0 -1.1 >sigma
1 139 THR 4 1 33 0 0.0 -1.1 >sigma
1 140 LEU 7 9 50 3 6.0 -0.1 .
1 141 ILE 6 7 37 0 0.0 -1.1 >sigma
1 142 ILE 6 9 36 1 2.8 -0.6 .
1 143 ASN 6 2 25 0 0.0 -1.1 >sigma
1 144 TYR 6 3 24 0 0.0 -1.1 >sigma
1 145 ASP 4 3 12 1 8.3 0.3 .
1 146 ASP 4 3 15 2 13.3 1.2 >sigma
1 147 LYS 7 3 29 2 6.9 0.1 .
1 148 SER 4 4 27 1 3.7 -0.5 .
1 149 TRP 10 3 55 1 1.8 -0.8 .
1 150 GLN 7 4 25 3 12.0 0.9 .
1 151 SER 4 2 18 2 11.1 0.8 .
1 152 LEU 7 5 53 3 5.7 -0.1 .
1 153 LEU 7 2 61 1 1.6 -0.8 .
1 154 THR 4 3 24 1 4.2 -0.4 .
1 155 GLN 7 3 23 1 4.3 -0.4 .
1 156 LEU 7 7 55 0 0.0 -1.1 >sigma
1 157 GLY 3 1 23 1 4.3 -0.4 .
1 158 GLU 5 3 14 1 7.1 0.1 .
1 159 ILE 6 0 36 0 0.0 -1.1 >sigma
1 160 THR 4 0 15 0 0.0 -1.1 >sigma
1 161 GLY 3 2 8 2 25.0 3.1 >sigma
1 162 HIS 6 3 30 2 6.7 0.0 .
1 163 GLU 5 4 20 3 15.0 1.4 >sigma
1 164 LYS 7 2 19 2 10.5 0.7 .
1 165 GLN 7 6 18 2 11.1 0.8 .
1 166 ALA 3 3 29 2 6.9 0.1 .
1 167 ALA 3 2 23 2 8.7 0.4 .
1 168 GLU 5 3 18 1 5.6 -0.2 .
1 169 ARG 7 0 38 0 0.0 -1.1 >sigma
1 170 ILE 6 2 51 0 0.0 -1.1 >sigma
1 171 ALA 3 2 22 1 4.5 -0.3 .
1 172 GLN 7 4 23 2 8.7 0.4 .
1 173 PHE 7 3 45 2 4.4 -0.4 .
1 174 ASP 4 3 20 2 10.0 0.6 .
1 175 LYS 7 6 25 1 4.0 -0.4 .
1 176 GLN 7 1 21 1 4.8 -0.3 .
1 177 LEU 7 13 40 2 5.0 -0.3 .
1 178 ALA 3 3 16 1 6.3 -0.0 .
1 179 ALA 3 3 19 1 5.3 -0.2 .
1 180 ALA 3 7 29 2 6.9 0.1 .
1 181 LYS 7 5 29 3 10.3 0.7 .
1 182 GLU 5 4 19 2 10.5 0.7 .
1 183 GLN 7 4 25 3 12.0 0.9 .
1 184 ILE 6 14 38 3 7.9 0.2 .
1 185 LYS 7 4 17 0 0.0 -1.1 >sigma
1 186 LEU 7 17 33 2 6.1 -0.1 .
1 187 PRO 5 0 14 0 0.0 -1.1 >sigma
1 188 PRO 5 0 8 0 0.0 -1.1 >sigma
1 189 GLN 7 1 15 0 0.0 -1.1 >sigma
1 190 PRO 5 0 23 0 0.0 -1.1 >sigma
1 191 VAL 5 28 45 9 20.0 2.3 >sigma
1 192 THR 4 6 31 2 6.5 -0.0 .
1 193 ALA 3 5 31 0 0.0 -1.1 >sigma
1 194 ILE 6 14 55 1 1.8 -0.8 .
1 195 VAL 5 18 42 5 11.9 0.9 .
1 196 TYR 6 0 25 0 0.0 -1.1 >sigma
1 197 THR 4 4 24 1 4.2 -0.4 .
1 198 ALA 3 2 14 0 0.0 -1.1 >sigma
1 199 ALA 3 1 17 1 5.9 -0.1 .
1 200 ALA 3 4 13 2 15.4 1.5 >sigma
1 201 HIS 6 2 12 2 16.7 1.7 >sigma
1 202 SER 4 4 9 2 22.2 2.7 >sigma
1 203 ALA 3 2 15 0 0.0 -1.1 >sigma
1 204 ASN 6 5 24 2 8.3 0.3 .
1 205 LEU 7 32 59 9 15.3 1.5 >sigma
1 206 TRP 10 5 44 1 2.3 -0.7 .
1 207 THR 4 5 36 1 2.8 -0.6 .
1 208 PRO 5 0 28 0 0.0 -1.1 >sigma
1 209 GLU 5 2 15 0 0.0 -1.1 >sigma
1 210 SER 4 4 29 1 3.4 -0.5 .
1 211 ALA 3 4 26 1 3.8 -0.5 .
1 212 GLN 7 2 47 1 2.1 -0.7 .
1 213 GLY 3 4 25 1 4.0 -0.4 .
1 214 GLN 7 5 22 2 9.1 0.4 .
1 215 MET 6 5 49 2 4.1 -0.4 .
1 216 LEU 7 27 62 9 14.5 1.4 >sigma
1 217 GLU 5 6 23 2 8.7 0.4 .
1 218 GLN 7 7 27 2 7.4 0.2 .
1 219 LEU 7 21 53 5 9.4 0.5 .
1 220 GLY 3 5 19 2 10.5 0.7 .
1 221 PHE 7 6 66 1 1.5 -0.9 .
1 222 THR 4 4 19 2 10.5 0.7 .
1 223 LEU 7 17 52 6 11.5 0.9 .
1 224 ALA 3 5 13 0 0.0 -1.1 >sigma
1 225 LYS 7 4 17 0 0.0 -1.1 >sigma
1 226 LEU 7 13 50 6 12.0 0.9 .
1 227 PRO 5 0 30 0 0.0 -1.1 >sigma
1 228 ALA 3 4 12 1 8.3 0.3 .
1 229 GLY 3 4 13 3 23.1 2.8 >sigma
1 230 LEU 7 11 50 2 4.0 -0.4 .
1 231 ASN 6 4 23 2 8.7 0.4 .
1 232 ALA 3 2 13 1 7.7 0.2 .
1 233 SER 4 3 31 1 3.2 -0.6 .
1 234 GLN 7 3 25 0 0.0 -1.1 >sigma
1 235 SER 4 1 20 0 0.0 -1.1 >sigma
1 236 GLN 7 0 7 0 0.0 -1.1 >sigma
1 237 GLY 3 2 7 1 14.3 1.3 >sigma
1 238 LYS 7 2 15 1 6.7 0.0 .
1 239 ARG 7 2 30 0 0.0 -1.1 >sigma
1 240 HIS 6 0 15 0 0.0 -1.1 >sigma
1 241 ASP 4 2 15 1 6.7 0.0 .
1 242 ILE 6 13 44 3 6.8 0.1 .
1 243 ILE 6 11 43 3 7.0 0.1 .
1 244 GLN 7 5 39 0 0.0 -1.1 >sigma
1 245 LEU 7 4 67 2 3.0 -0.6 .
1 246 GLY 3 5 20 2 10.0 0.6 .
1 247 GLY 3 6 18 1 5.6 -0.2 .
1 248 GLU 5 3 14 1 7.1 0.1 .
1 249 ASN 6 4 32 2 6.3 -0.0 .
1 250 LEU 7 12 51 5 9.8 0.6 .
1 251 ALA 3 8 19 3 15.8 1.6 >sigma
1 252 ALA 3 5 10 2 20.0 2.3 >sigma
1 253 GLY 3 5 18 3 16.7 1.7 >sigma
1 254 LEU 7 21 44 7 15.9 1.6 >sigma
1 255 ASN 6 4 12 1 8.3 0.3 .
1 256 GLY 3 4 21 1 4.8 -0.3 .
1 257 GLU 5 1 26 1 3.8 -0.5 .
1 258 SER 4 4 27 2 7.4 0.2 .
1 259 LEU 7 31 48 7 14.6 1.4 >sigma
1 260 PHE 7 5 57 0 0.0 -1.1 >sigma
1 261 LEU 7 26 48 6 12.5 1.0 >sigma
1 262 PHE 7 4 43 1 2.3 -0.7 .
1 263 ALA 3 3 26 1 3.8 -0.5 .
1 264 GLY 3 5 15 2 13.3 1.2 >sigma
1 265 ASP 4 6 24 2 8.3 0.3 .
1 266 GLN 7 4 19 1 5.3 -0.2 .
1 267 LYS 7 5 22 3 13.6 1.2 >sigma
1 268 ASP 4 4 22 4 18.2 2.0 >sigma
1 269 ALA 3 5 26 2 7.7 0.2 .
1 270 ASP 4 5 17 3 17.6 1.9 >sigma
1 271 ALA 3 3 14 3 21.4 2.5 >sigma
1 272 ILE 6 22 37 4 10.8 0.7 .
1 273 TYR 6 3 30 2 6.7 0.0 .
1 274 ALA 3 2 13 1 7.7 0.2 .
1 275 ASN 6 4 35 1 2.9 -0.6 .
1 276 PRO 5 0 18 0 0.0 -1.1 >sigma
1 277 LEU 7 8 24 2 8.3 0.3 .
1 278 LEU 7 27 43 4 9.3 0.5 .
1 279 ALA 3 6 19 3 15.8 1.6 >sigma
1 280 HIS 6 5 10 2 20.0 2.3 >sigma
1 281 LEU 7 31 41 6 14.6 1.4 >sigma
1 282 PRO 5 0 16 0 0.0 -1.1 >sigma
1 283 ALA 3 4 34 1 2.9 -0.6 .
1 284 VAL 5 26 41 6 14.6 1.4 >sigma
1 285 GLN 7 8 19 4 21.1 2.5 >sigma
1 286 ASN 6 7 19 3 15.8 1.6 >sigma
1 287 LYS 7 9 13 3 23.1 2.8 >sigma
1 288 GLN 7 5 31 4 12.9 1.1 >sigma
1 289 VAL 5 27 36 10 27.8 3.6 >sigma
1 290 TYR 6 6 30 2 6.7 0.0 .
1 291 ALA 3 5 31 0 0.0 -1.1 >sigma
1 292 LEU 7 26 54 9 16.7 1.7 >sigma
1 293 GLY 3 7 22 2 9.1 0.4 .
1 294 THR 4 4 22 1 4.5 -0.3 .
1 295 GLU 5 2 14 1 7.1 0.1 .
1 296 THR 4 3 24 1 4.2 -0.4 .
1 297 PHE 7 3 41 2 4.9 -0.3 .
1 298 ARG 7 1 58 1 1.7 -0.8 .
1 299 LEU 7 14 30 3 10.0 0.6 .
1 300 ASP 4 5 27 3 11.1 0.8 .
1 301 TYR 6 2 50 1 2.0 -0.8 .
1 302 TYR 6 5 33 2 6.1 -0.1 .
1 303 SER 4 3 21 2 9.5 0.5 .
1 304 ALA 3 4 28 2 7.1 0.1 .
1 305 MET 6 2 23 2 8.7 0.4 .
1 306 GLN 7 3 20 1 5.0 -0.3 .
1 307 VAL 5 22 47 8 17.0 1.8 >sigma
1 308 LEU 7 0 50 0 0.0 -1.1 >sigma
1 309 ASP 4 1 17 1 5.9 -0.1 .
1 310 ARG 7 2 48 1 2.1 -0.8 .
1 311 LEU 7 11 58 6 10.3 0.7 .
1 312 LYS 7 6 32 2 6.3 -0.0 .
1 313 ALA 3 3 13 2 15.4 1.5 >sigma
1 314 LEU 7 7 39 2 5.1 -0.2 .
1 315 PHE 7 2 30 1 3.3 -0.5 .
stop_
save_
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