NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
651818 |
6kvg   |
cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_6kvg
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 20
_NOE_completeness_stats.Residue_count 256
_NOE_completeness_stats.Total_atom_count 4053
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 1427
_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 43.4
_NOE_completeness_stats.Constraint_unexpanded_count 3462
_NOE_completeness_stats.Constraint_count 3462
_NOE_completeness_stats.Constraint_exp_unfiltered_count 3086
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 172
_NOE_completeness_stats.Constraint_intraresidue_count 752
_NOE_completeness_stats.Constraint_surplus_count 165
_NOE_completeness_stats.Constraint_observed_count 2373
_NOE_completeness_stats.Constraint_expected_count 2959
_NOE_completeness_stats.Constraint_matched_count 1285
_NOE_completeness_stats.Constraint_unmatched_count 1088
_NOE_completeness_stats.Constraint_exp_nonobs_count 1674
_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 945 1233 594 48.2 0.9 .
medium-range 849 834 355 42.6 -0.0 .
long-range 579 892 336 37.7 -0.9 .
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 19 11 0 0 4 7 0 0 0 0 . 0 57.9 57.9
shell 2.00 2.50 234 168 0 16 55 63 27 6 1 0 . 0 71.8 70.8
shell 2.50 3.00 546 344 0 3 79 162 69 26 3 2 . 0 63.0 65.5
shell 3.00 3.50 789 329 0 1 22 112 131 47 14 2 . 0 41.7 53.7
shell 3.50 4.00 1371 433 0 0 1 95 199 99 33 6 . 0 31.6 43.4
shell 4.00 4.50 2002 484 0 0 0 12 171 224 53 24 . 0 24.2 35.7
shell 4.50 5.00 2815 358 0 0 0 2 18 135 157 46 . 0 12.7 27.4
shell 5.00 5.50 3669 192 0 0 0 0 1 19 105 67 . 0 5.2 20.3
shell 5.50 6.00 4424 48 0 0 0 0 0 1 19 28 . 0 1.1 14.9
shell 6.00 6.50 4695 5 0 0 0 0 0 0 2 3 . 0 0.1 11.5
shell 6.50 7.00 5107 1 0 0 0 0 0 0 0 1 . 0 0.0 9.2
shell 7.00 7.50 5333 0 0 0 0 0 0 0 0 0 . 0 0.0 7.7
shell 7.50 8.00 5894 0 0 0 0 0 0 0 0 0 . 0 0.0 6.4
shell 8.00 8.50 6174 0 0 0 0 0 0 0 0 0 . 0 0.0 5.5
shell 8.50 9.00 6431 0 0 0 0 0 0 0 0 0 . 0 0.0 4.8
sums . . 49503 2373 0 20 161 453 616 557 387 179 . 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 -1.9 >sigma
1 2 PRO 5 0 5 0 0.0 -1.9 >sigma
1 3 GLY 3 0 6 0 0.0 -1.9 >sigma
1 4 SER 4 3 10 2 20.0 -1.0 .
1 5 MET 6 0 9 0 0.0 -1.9 >sigma
1 6 GLY 3 0 12 0 0.0 -1.9 >sigma
1 7 SER 4 14 14 8 57.1 0.8 .
1 8 GLU 5 12 16 7 43.8 0.1 .
1 9 LEU 7 24 44 14 31.8 -0.4 .
1 10 ILE 6 67 68 39 57.4 0.8 .
1 11 GLY 3 17 17 9 52.9 0.6 .
1 12 ARG 7 22 25 11 44.0 0.1 .
1 13 LEU 7 27 50 16 32.0 -0.4 .
1 14 ALA 3 44 34 21 61.8 1.0 .
1 15 PRO 5 19 23 12 52.2 0.5 .
1 16 ARG 7 19 26 10 38.5 -0.1 .
1 17 LEU 7 23 54 16 29.6 -0.5 .
1 18 GLY 3 15 11 6 54.5 0.6 .
1 19 LEU 7 28 49 14 28.6 -0.6 .
1 20 ALA 3 24 17 14 82.4 1.9 >sigma
1 21 GLU 5 29 26 16 61.5 1.0 .
1 22 PRO 5 18 14 11 78.6 1.8 >sigma
1 23 ASP 4 20 17 11 64.7 1.1 >sigma
1 24 MET 6 35 50 18 36.0 -0.2 .
1 25 LEU 7 47 45 25 55.6 0.7 .
1 26 ARG 7 25 29 13 44.8 0.2 .
1 27 LYS 7 24 43 13 30.2 -0.5 .
1 28 ALA 3 38 37 18 48.6 0.4 .
1 29 GLU 5 32 36 24 66.7 1.2 >sigma
1 30 GLU 5 20 30 13 43.3 0.1 .
1 31 TYR 6 51 56 27 48.2 0.3 .
1 32 LEU 7 31 52 16 30.8 -0.5 .
1 33 ARG 7 13 21 7 33.3 -0.4 .
1 34 LEU 7 31 35 15 42.9 0.1 .
1 35 SER 4 27 31 15 48.4 0.3 .
1 36 ARG 7 24 26 9 34.6 -0.3 .
1 37 VAL 5 18 23 10 43.5 0.1 .
1 38 LYS 7 16 23 8 34.8 -0.3 .
1 39 CYS 4 20 21 10 47.6 0.3 .
1 40 VAL 5 27 27 11 40.7 -0.0 .
1 41 GLY 3 8 9 4 44.4 0.2 .
1 42 LEU 7 8 8 3 37.5 -0.2 .
1 43 SER 4 12 16 3 18.8 -1.1 >sigma
1 44 ALA 3 3 7 2 28.6 -0.6 .
1 45 ARG 7 12 14 7 50.0 0.4 .
1 46 THR 4 23 14 11 78.6 1.8 >sigma
1 47 THR 4 16 11 6 54.5 0.6 .
1 48 GLU 5 12 21 5 23.8 -0.8 .
1 49 THR 4 27 26 15 57.7 0.8 .
1 50 SER 4 19 20 8 40.0 -0.1 .
1 51 SER 4 20 16 6 37.5 -0.2 .
1 52 ALA 3 33 36 14 38.9 -0.1 .
1 53 VAL 5 47 61 22 36.1 -0.2 .
1 54 MET 6 27 42 17 40.5 -0.0 .
1 55 CYS 4 33 34 17 50.0 0.4 .
1 56 LEU 7 39 57 19 33.3 -0.4 .
1 57 ASP 4 19 31 15 48.4 0.3 .
1 58 LEU 7 39 54 22 40.7 -0.0 .
1 59 ALA 3 37 37 22 59.5 0.9 .
1 60 ALA 3 34 35 20 57.1 0.8 .
1 61 SER 4 14 15 7 46.7 0.3 .
1 62 TRP 10 16 22 7 31.8 -0.4 .
1 63 MET 6 28 34 12 35.3 -0.3 .
1 64 LYS 7 12 10 4 40.0 -0.1 .
1 65 CYS 4 26 19 17 89.5 2.3 >sigma
1 66 PRO 5 14 7 7 100.0 2.8 >sigma
1 67 LEU 7 23 38 10 26.3 -0.7 .
1 68 ASP 4 13 15 7 46.7 0.3 .
1 69 ARG 7 20 25 9 36.0 -0.2 .
1 70 ALA 3 28 27 17 63.0 1.0 >sigma
1 71 TYR 6 40 31 21 67.7 1.3 >sigma
1 72 LEU 7 43 66 26 39.4 -0.1 .
1 73 ILE 6 65 72 44 61.1 0.9 .
1 74 LYS 7 24 24 13 54.2 0.6 .
1 75 LEU 7 36 47 24 51.1 0.5 .
1 76 SER 4 30 34 14 41.2 -0.0 .
1 77 GLY 3 13 11 4 36.4 -0.2 .
1 78 LEU 7 31 40 17 42.5 0.1 .
1 79 ASN 6 23 19 15 78.9 1.8 >sigma
1 80 LYS 7 36 37 27 73.0 1.5 >sigma
1 81 GLU 5 20 18 12 66.7 1.2 >sigma
1 82 THR 4 32 29 18 62.1 1.0 .
1 83 TYR 6 78 71 43 60.6 0.9 .
1 84 GLN 7 35 28 16 57.1 0.8 .
1 85 SER 4 21 14 8 57.1 0.8 .
1 86 CYS 4 17 20 8 40.0 -0.1 .
1 87 LEU 7 32 51 20 39.2 -0.1 .
1 88 LYS 7 27 22 13 59.1 0.8 .
1 89 SER 4 15 16 8 50.0 0.4 .
1 90 PHE 7 34 31 18 58.1 0.8 .
1 91 GLU 5 47 45 26 57.8 0.8 .
1 92 CYS 4 22 17 12 70.6 1.4 >sigma
1 93 LEU 7 21 19 11 57.9 0.8 .
1 94 LEU 7 51 50 25 50.0 0.4 .
1 95 GLY 3 19 12 8 66.7 1.2 >sigma
1 96 LEU 7 28 38 14 36.8 -0.2 .
1 97 ASN 6 14 14 8 57.1 0.8 .
1 98 SER 4 11 7 6 85.7 2.1 >sigma
1 99 ASN 6 13 9 6 66.7 1.2 >sigma
1 100 ILE 6 28 28 14 50.0 0.4 .
1 101 GLY 3 14 14 10 71.4 1.4 >sigma
1 102 ILE 6 36 50 23 46.0 0.2 .
1 103 ARG 7 21 35 13 37.1 -0.2 .
1 104 ASP 4 18 24 12 50.0 0.4 .
1 105 LEU 7 25 47 15 31.9 -0.4 .
1 106 ALA 3 45 37 23 62.2 1.0 .
1 107 VAL 5 28 22 12 54.5 0.6 .
1 108 GLN 7 32 25 13 52.0 0.5 .
1 109 PHE 7 52 53 23 43.4 0.1 .
1 110 SER 4 25 10 7 70.0 1.4 >sigma
1 111 CYS 4 36 26 15 57.7 0.8 .
1 112 ILE 6 43 33 21 63.6 1.1 >sigma
1 113 GLU 5 18 20 9 45.0 0.2 .
1 114 ALA 3 34 32 18 56.3 0.7 .
1 115 VAL 5 49 45 29 64.4 1.1 >sigma
1 116 ASN 6 13 17 8 47.1 0.3 .
1 117 MET 6 29 44 11 25.0 -0.8 .
1 118 ALA 3 42 34 25 73.5 1.5 >sigma
1 119 SER 4 32 24 14 58.3 0.8 .
1 120 LYS 7 24 41 8 19.5 -1.0 >sigma
1 121 ILE 6 70 80 37 46.3 0.2 .
1 122 LEU 7 24 27 14 51.9 0.5 .
1 123 LYS 7 29 30 12 40.0 -0.1 .
1 124 SER 4 25 21 13 61.9 1.0 .
1 125 TYR 6 28 44 18 40.9 -0.0 .
1 126 GLU 5 21 24 13 54.2 0.6 .
1 127 SER 4 12 12 5 41.7 0.0 .
1 128 SER 4 14 10 6 60.0 0.9 .
1 129 LEU 7 36 33 19 57.6 0.8 .
1 130 PRO 5 3 15 2 13.3 -1.3 >sigma
1 131 GLN 7 3 13 3 23.1 -0.9 .
1 132 THR 4 6 10 5 50.0 0.4 .
1 133 GLN 7 17 25 11 44.0 0.1 .
1 134 GLN 7 18 22 12 54.5 0.6 .
1 135 VAL 5 11 9 5 55.6 0.7 .
1 136 ASP 4 15 9 6 66.7 1.2 >sigma
1 137 LEU 7 14 8 6 75.0 1.6 >sigma
1 138 ASP 4 4 8 3 37.5 -0.2 .
1 139 LEU 7 0 7 0 0.0 -1.9 >sigma
1 140 SER 4 0 7 0 0.0 -1.9 >sigma
1 141 ARG 7 0 9 0 0.0 -1.9 >sigma
1 142 PRO 5 0 8 0 0.0 -1.9 >sigma
1 143 LEU 7 0 8 0 0.0 -1.9 >sigma
1 144 PHE 7 0 9 0 0.0 -1.9 >sigma
1 145 THR 4 3 17 1 5.9 -1.7 >sigma
1 146 SER 4 6 24 4 16.7 -1.2 >sigma
1 147 ALA 3 9 26 8 30.8 -0.5 .
1 148 ALA 3 28 40 17 42.5 0.1 .
1 149 LEU 7 30 59 19 32.2 -0.4 .
1 150 LEU 7 23 49 11 22.4 -0.9 .
1 151 SER 4 18 31 8 25.8 -0.7 .
1 152 ALA 3 21 31 12 38.7 -0.1 .
1 153 CYS 4 17 26 9 34.6 -0.3 .
1 154 LYS 7 20 40 9 22.5 -0.9 .
1 155 ILE 6 35 45 21 46.7 0.3 .
1 156 LEU 7 14 24 8 33.3 -0.4 .
1 157 LYS 7 16 39 10 25.6 -0.7 .
1 158 LEU 7 14 19 9 47.4 0.3 .
1 159 LYS 7 22 32 14 43.8 0.1 .
1 160 VAL 5 37 30 20 66.7 1.2 >sigma
1 161 ASP 4 17 14 9 64.3 1.1 >sigma
1 162 LYS 7 19 32 7 21.9 -0.9 .
1 163 ASN 6 27 18 11 61.1 0.9 .
1 164 LYS 7 30 27 11 40.7 -0.0 .
1 165 MET 6 20 39 12 30.8 -0.5 .
1 166 VAL 5 34 38 18 47.4 0.3 .
1 167 ALA 3 17 15 9 60.0 0.9 .
1 168 THR 4 15 15 7 46.7 0.3 .
1 169 SER 4 9 10 5 50.0 0.4 .
1 170 GLY 3 6 11 4 36.4 -0.2 .
1 171 VAL 5 26 29 15 51.7 0.5 .
1 172 LYS 7 18 23 11 47.8 0.3 .
1 173 LYS 7 12 20 8 40.0 -0.1 .
1 174 ALA 3 23 20 11 55.0 0.7 .
1 175 ILE 6 42 46 20 43.5 0.1 .
1 176 PHE 7 30 55 20 36.4 -0.2 .
1 177 ASP 4 22 20 12 60.0 0.9 .
1 178 ARG 7 21 26 10 38.5 -0.1 .
1 179 LEU 7 29 36 12 33.3 -0.4 .
1 180 CYS 4 24 20 12 60.0 0.9 .
1 181 LYS 7 17 17 6 35.3 -0.3 .
1 182 GLN 7 45 36 21 58.3 0.8 .
1 183 LEU 7 61 62 30 48.4 0.3 .
1 184 GLU 5 29 36 16 44.4 0.2 .
1 185 LYS 7 27 32 14 43.8 0.1 .
1 186 ILE 6 47 60 27 45.0 0.2 .
1 187 GLY 3 30 29 16 55.2 0.7 .
1 188 GLN 7 21 27 13 48.1 0.3 .
1 189 GLN 7 19 13 9 69.2 1.3 >sigma
1 190 VAL 5 27 40 13 32.5 -0.4 .
1 191 ASP 4 11 21 4 19.0 -1.0 >sigma
1 192 ARG 7 6 8 2 25.0 -0.8 .
1 193 GLU 5 10 13 3 23.1 -0.9 .
1 194 PRO 5 5 10 3 30.0 -0.5 .
1 195 GLY 3 8 9 7 77.8 1.7 >sigma
1 196 ASP 4 10 8 4 50.0 0.4 .
1 197 VAL 5 10 8 6 75.0 1.6 >sigma
1 198 ALA 3 7 7 6 85.7 2.1 >sigma
1 199 THR 4 4 6 2 33.3 -0.4 .
1 200 PRO 5 0 7 0 0.0 -1.9 >sigma
1 201 PRO 5 0 6 0 0.0 -1.9 >sigma
1 202 ARG 7 0 8 0 0.0 -1.9 >sigma
1 203 LYS 7 3 9 2 22.2 -0.9 .
1 204 ARG 7 4 9 3 33.3 -0.4 .
1 205 LYS 7 2 10 2 20.0 -1.0 .
1 206 LYS 7 5 10 4 40.0 -0.1 .
1 207 ILE 6 7 10 5 50.0 0.4 .
1 208 VAL 5 6 10 5 50.0 0.4 .
1 209 VAL 5 6 10 6 60.0 0.9 .
1 210 GLU 5 6 8 5 62.5 1.0 >sigma
1 211 ALA 3 3 6 2 33.3 -0.4 .
1 212 PRO 5 1 6 1 16.7 -1.2 >sigma
1 213 ALA 3 3 6 3 50.0 0.4 .
1 214 LYS 7 3 8 3 37.5 -0.2 .
1 215 GLU 5 5 9 5 55.6 0.7 .
1 216 MET 6 6 8 6 75.0 1.6 >sigma
1 217 GLU 5 2 9 2 22.2 -0.9 .
1 218 LYS 7 3 8 2 25.0 -0.8 .
1 219 VAL 5 7 8 6 75.0 1.6 >sigma
1 220 GLU 5 6 10 6 60.0 0.9 .
1 221 GLU 5 5 9 5 55.6 0.7 .
1 222 MET 6 3 9 3 33.3 -0.4 .
1 223 PRO 5 1 8 1 12.5 -1.4 >sigma
1 224 HIS 6 2 6 2 33.3 -0.4 .
1 225 LYS 7 1 8 1 12.5 -1.4 >sigma
1 226 PRO 5 4 9 4 44.4 0.2 .
1 227 GLN 7 6 7 6 85.7 2.1 >sigma
1 228 LYS 7 6 9 5 55.6 0.7 .
1 229 ASP 4 6 7 4 57.1 0.8 .
1 230 GLU 5 6 8 3 37.5 -0.2 .
1 231 ASP 4 5 8 4 50.0 0.4 .
1 232 LEU 7 4 7 3 42.9 0.1 .
1 233 THR 4 3 7 3 42.9 0.1 .
1 234 GLN 7 2 8 2 25.0 -0.8 .
1 235 ASP 4 0 10 0 0.0 -1.9 >sigma
1 236 TYR 6 1 12 1 8.3 -1.5 >sigma
1 237 GLU 5 2 16 2 12.5 -1.4 >sigma
1 238 GLU 5 2 13 2 15.4 -1.2 >sigma
1 239 TRP 10 2 15 2 13.3 -1.3 >sigma
1 240 LYS 7 4 19 4 21.1 -0.9 .
1 241 ARG 7 5 17 5 29.4 -0.6 .
1 242 LYS 7 4 18 4 22.2 -0.9 .
1 243 ILE 6 2 17 2 11.8 -1.4 >sigma
1 244 LEU 7 1 16 1 6.3 -1.6 >sigma
1 245 GLU 5 1 13 1 7.7 -1.6 >sigma
1 246 ASN 6 1 13 1 7.7 -1.6 >sigma
1 247 ALA 3 1 10 1 10.0 -1.5 >sigma
1 248 ALA 3 1 7 1 14.3 -1.3 >sigma
1 249 SER 4 1 6 1 16.7 -1.2 >sigma
1 250 ALA 3 0 6 0 0.0 -1.9 >sigma
1 251 GLN 7 0 8 0 0.0 -1.9 >sigma
1 252 LYS 7 0 9 0 0.0 -1.9 >sigma
1 253 ALA 3 0 7 0 0.0 -1.9 >sigma
1 254 THR 4 0 7 0 0.0 -1.9 >sigma
1 255 ALA 3 0 7 0 0.0 -1.9 >sigma
1 256 GLU 5 0 3 0 0.0 -1.9 >sigma
stop_
save_
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