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 |
|
|
569905 |
2rsv   |
11506 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_2rsv
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 18
_NOE_completeness_stats.Residue_count 403
_NOE_completeness_stats.Total_atom_count 6497
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 2281
_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 17.1
_NOE_completeness_stats.Constraint_unexpanded_count 1727
_NOE_completeness_stats.Constraint_count 1727
_NOE_completeness_stats.Constraint_exp_unfiltered_count 4700
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 88
_NOE_completeness_stats.Constraint_intraresidue_count 74
_NOE_completeness_stats.Constraint_surplus_count 0
_NOE_completeness_stats.Constraint_observed_count 1565
_NOE_completeness_stats.Constraint_expected_count 4700
_NOE_completeness_stats.Constraint_matched_count 803
_NOE_completeness_stats.Constraint_unmatched_count 762
_NOE_completeness_stats.Constraint_exp_nonobs_count 3897
_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 420 1739 278 16.0 -0.1 .
medium-range 382 931 120 12.9 -0.8 .
long-range 763 2030 405 20.0 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 49 20 0 0 11 6 0 2 1 0 . 0 40.8 40.8
shell 2.00 2.50 444 125 0 0 58 29 8 10 17 2 . 1 28.2 29.4
shell 2.50 3.00 844 241 0 0 126 50 21 14 23 0 . 7 28.6 28.9
shell 3.00 3.50 1305 169 0 0 10 44 20 24 38 7 . 26 13.0 21.0
shell 3.50 4.00 2058 248 0 0 0 20 43 22 78 14 . 71 12.1 17.1
shell 4.00 4.50 3104 339 0 0 0 0 76 20 114 20 . 109 10.9 14.6
shell 4.50 5.00 4626 250 0 0 0 0 0 2 111 27 . 110 5.4 11.2
shell 5.00 5.50 6040 121 0 0 0 0 0 0 12 17 . 92 2.0 8.2
shell 5.50 6.00 7160 44 0 0 0 0 0 0 0 0 . 44 0.6 6.1
shell 6.00 6.50 7718 8 0 0 0 0 0 0 0 0 . 8 0.1 4.7
shell 6.50 7.00 9049 0 0 0 0 0 0 0 0 0 . 0 0.0 3.7
shell 7.00 7.50 9679 0 0 0 0 0 0 0 0 0 . 0 0.0 3.0
shell 7.50 8.00 10748 0 0 0 0 0 0 0 0 0 . 0 0.0 2.5
shell 8.00 8.50 11278 0 0 0 0 0 0 0 0 0 . 0 0.0 2.1
shell 8.50 9.00 12440 0 0 0 0 0 0 0 0 0 . 0 0.0 1.8
sums . . 86542 1565 0 0 205 149 168 94 394 87 . 468 . .
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 -1.2 >sigma
1 2 SER 4 0 6 0 0.0 -1.2 >sigma
1 3 SER 4 0 7 0 0.0 -1.2 >sigma
1 4 GLY 3 0 6 0 0.0 -1.2 >sigma
1 5 SER 4 0 7 0 0.0 -1.2 >sigma
1 6 SER 4 0 8 0 0.0 -1.2 >sigma
1 7 GLY 3 0 7 0 0.0 -1.2 >sigma
1 8 MET 6 0 8 0 0.0 -1.2 >sigma
1 9 PRO 5 0 8 0 0.0 -1.2 >sigma
1 10 ARG 7 0 8 0 0.0 -1.2 >sigma
1 11 VAL 5 0 10 0 0.0 -1.2 >sigma
1 12 LYS 7 0 10 0 0.0 -1.2 >sigma
1 13 ALA 3 0 9 0 0.0 -1.2 >sigma
1 14 ALA 3 0 7 0 0.0 -1.2 >sigma
1 15 GLN 7 0 7 0 0.0 -1.2 >sigma
1 16 ALA 3 0 7 0 0.0 -1.2 >sigma
1 17 GLY 3 0 6 0 0.0 -1.2 >sigma
1 18 ARG 7 0 8 0 0.0 -1.2 >sigma
1 19 GLN 7 0 9 0 0.0 -1.2 >sigma
1 20 SER 4 0 8 0 0.0 -1.2 >sigma
1 21 SER 4 0 8 0 0.0 -1.2 >sigma
1 22 ALA 3 0 7 0 0.0 -1.2 >sigma
1 23 LYS 7 0 8 0 0.0 -1.2 >sigma
1 24 ARG 7 0 9 0 0.0 -1.2 >sigma
1 25 HIS 6 0 8 0 0.0 -1.2 >sigma
1 26 LEU 7 0 9 0 0.0 -1.2 >sigma
1 27 ALA 3 1 8 1 12.5 -0.1 .
1 28 GLU 5 1 8 1 12.5 -0.1 .
1 29 GLN 7 1 12 1 8.3 -0.5 .
1 30 PHE 7 13 53 9 17.0 0.3 .
1 31 ALA 3 11 11 3 27.3 1.2 >sigma
1 32 VAL 5 19 24 7 29.2 1.4 >sigma
1 33 GLY 3 8 11 2 18.2 0.4 .
1 34 GLU 5 7 19 1 5.3 -0.7 .
1 35 ILE 6 9 34 2 5.9 -0.7 .
1 36 ILE 6 33 56 17 30.4 1.5 >sigma
1 37 THR 4 5 14 2 14.3 0.1 .
1 38 ASP 4 11 29 3 10.3 -0.3 .
1 39 MET 6 12 24 5 20.8 0.7 .
1 40 ALA 3 8 12 3 25.0 1.0 >sigma
1 41 LYS 7 6 11 5 45.5 2.9 >sigma
1 42 LYS 7 5 28 3 10.7 -0.3 .
1 43 GLU 5 3 17 1 5.9 -0.7 .
1 44 TRP 10 15 52 5 9.6 -0.4 .
1 45 LYS 7 8 43 2 4.7 -0.8 .
1 46 VAL 5 31 42 10 23.8 0.9 .
1 47 GLY 3 8 29 5 17.2 0.3 .
1 48 LEU 7 10 29 6 20.7 0.6 .
1 49 PRO 5 0 25 0 0.0 -1.2 >sigma
1 50 ILE 6 15 31 10 32.3 1.7 >sigma
1 51 GLY 3 3 9 1 11.1 -0.2 .
1 52 GLN 7 0 8 0 0.0 -1.2 >sigma
1 53 GLY 3 0 8 0 0.0 -1.2 >sigma
1 54 GLY 3 0 6 0 0.0 -1.2 >sigma
1 55 PHE 7 1 7 1 14.3 0.1 .
1 56 GLY 3 2 9 2 22.2 0.8 .
1 57 CYS 4 2 17 2 11.8 -0.2 .
1 58 ILE 6 8 31 5 16.1 0.2 .
1 59 TYR 6 6 40 5 12.5 -0.1 .
1 60 LEU 7 15 58 12 20.7 0.6 .
1 61 ALA 3 17 32 9 28.1 1.3 >sigma
1 62 ASP 4 5 22 3 13.6 0.0 .
1 63 MET 6 3 8 1 12.5 -0.1 .
1 64 ASN 6 4 10 2 20.0 0.6 .
1 65 SER 4 0 7 0 0.0 -1.2 >sigma
1 66 SER 4 0 8 0 0.0 -1.2 >sigma
1 67 GLU 5 0 9 0 0.0 -1.2 >sigma
1 68 SER 4 0 11 0 0.0 -1.2 >sigma
1 69 VAL 5 12 40 8 20.0 0.6 .
1 70 GLY 3 3 9 2 22.2 0.8 .
1 71 SER 4 0 5 0 0.0 -1.2 >sigma
1 72 ASP 4 2 6 2 33.3 1.8 >sigma
1 73 ALA 3 9 22 7 31.8 1.7 >sigma
1 74 PRO 5 0 16 0 0.0 -1.2 >sigma
1 75 CYS 4 3 29 2 6.9 -0.6 .
1 76 VAL 5 21 50 15 30.0 1.5 >sigma
1 77 VAL 5 33 54 20 37.0 2.1 >sigma
1 78 LYS 7 5 37 1 2.7 -1.0 .
1 79 VAL 5 21 47 7 14.9 0.1 .
1 80 GLU 5 6 19 3 15.8 0.2 .
1 81 PRO 5 0 10 0 0.0 -1.2 >sigma
1 82 SER 4 2 9 1 11.1 -0.2 .
1 83 ASP 4 0 7 0 0.0 -1.2 >sigma
1 84 ASN 6 1 7 1 14.3 0.1 .
1 85 GLY 3 3 9 3 33.3 1.8 >sigma
1 86 PRO 5 0 9 0 0.0 -1.2 >sigma
1 87 LEU 7 16 42 6 14.3 0.1 .
1 88 PHE 7 3 15 2 13.3 -0.0 .
1 89 THR 4 3 15 1 6.7 -0.6 .
1 90 GLU 5 5 26 2 7.7 -0.5 .
1 91 LEU 7 15 43 8 18.6 0.5 .
1 92 LYS 7 5 16 2 12.5 -0.1 .
1 93 PHE 7 14 46 7 15.2 0.2 .
1 94 TYR 6 9 53 4 7.5 -0.5 .
1 95 GLN 7 4 20 2 10.0 -0.3 .
1 96 ARG 7 6 19 3 15.8 0.2 .
1 97 ALA 3 7 25 6 24.0 0.9 .
1 98 ALA 3 14 27 11 40.7 2.5 >sigma
1 99 LYS 7 5 41 3 7.3 -0.6 .
1 100 PRO 5 0 24 0 0.0 -1.2 >sigma
1 101 GLU 5 3 16 1 6.3 -0.7 .
1 102 GLN 7 4 25 2 8.0 -0.5 .
1 103 ILE 6 22 50 10 20.0 0.6 .
1 104 GLN 7 6 18 3 16.7 0.3 .
1 105 LYS 7 3 16 2 12.5 -0.1 .
1 106 TRP 10 7 29 5 17.2 0.3 .
1 107 ILE 6 19 55 10 18.2 0.4 .
1 108 ARG 7 5 17 4 23.5 0.9 .
1 109 THR 4 5 12 3 25.0 1.0 >sigma
1 110 ARG 7 3 20 3 15.0 0.1 .
1 111 LYS 7 5 13 4 30.8 1.6 >sigma
1 112 LEU 7 13 44 9 20.5 0.6 .
1 113 LYS 7 3 13 2 15.4 0.2 .
1 114 TYR 6 9 24 4 16.7 0.3 .
1 115 LEU 7 22 60 12 20.0 0.6 .
1 116 GLY 3 4 24 2 8.3 -0.5 .
1 117 VAL 5 29 48 14 29.2 1.4 >sigma
1 118 PRO 5 0 41 0 0.0 -1.2 >sigma
1 119 LYS 7 5 18 1 5.6 -0.7 .
1 120 TYR 6 9 46 5 10.9 -0.2 .
1 121 TRP 10 9 26 3 11.5 -0.2 .
1 122 GLY 3 7 13 3 23.1 0.9 .
1 123 SER 4 8 26 2 7.7 -0.5 .
1 124 GLY 3 7 23 2 8.7 -0.4 .
1 125 LEU 7 17 35 7 20.0 0.6 .
1 126 HIS 6 7 24 3 12.5 -0.1 .
1 127 ASP 4 3 8 0 0.0 -1.2 >sigma
1 128 LYS 7 6 18 3 16.7 0.3 .
1 129 ASN 6 0 6 0 0.0 -1.2 >sigma
1 130 GLY 3 2 7 2 28.6 1.4 >sigma
1 131 LYS 7 3 14 2 14.3 0.1 .
1 132 SER 4 3 8 0 0.0 -1.2 >sigma
1 133 TYR 6 10 39 3 7.7 -0.5 .
1 134 ARG 7 5 26 4 15.4 0.2 .
1 135 PHE 7 16 74 10 13.5 -0.0 .
1 136 MET 6 20 56 11 19.6 0.6 .
1 137 ILE 6 40 53 15 28.3 1.3 >sigma
1 138 MET 6 18 34 10 29.4 1.4 >sigma
1 139 ASP 4 5 20 2 10.0 -0.3 .
1 140 ARG 7 5 41 2 4.9 -0.8 .
1 141 PHE 7 12 52 5 9.6 -0.4 .
1 142 GLY 3 4 20 3 15.0 0.1 .
1 143 SER 4 4 16 3 18.8 0.5 .
1 144 ASP 4 5 21 1 4.8 -0.8 .
1 145 LEU 7 42 84 26 31.0 1.6 >sigma
1 146 GLN 7 9 25 4 16.0 0.2 .
1 147 LYS 7 6 21 3 14.3 0.1 .
1 148 ILE 6 30 68 20 29.4 1.4 >sigma
1 149 TYR 6 15 44 8 18.2 0.4 .
1 150 GLU 5 9 19 2 10.5 -0.3 .
1 151 ALA 3 13 18 5 27.8 1.3 >sigma
1 152 ASN 6 8 23 5 21.7 0.7 .
1 153 ALA 3 6 14 4 28.6 1.4 >sigma
1 154 LYS 7 5 15 3 20.0 0.6 .
1 155 ARG 7 6 20 4 20.0 0.6 .
1 156 PHE 7 19 63 8 12.7 -0.1 .
1 157 SER 4 7 20 3 15.0 0.1 .
1 158 ARG 7 6 26 2 7.7 -0.5 .
1 159 LYS 7 7 25 3 12.0 -0.1 .
1 160 THR 4 6 38 3 7.9 -0.5 .
1 161 VAL 5 34 59 17 28.8 1.4 >sigma
1 162 LEU 7 23 63 13 20.6 0.6 .
1 163 GLN 7 6 26 3 11.5 -0.2 .
1 164 LEU 7 40 71 21 29.6 1.4 >sigma
1 165 SER 4 10 34 3 8.8 -0.4 .
1 166 LEU 7 15 53 7 13.2 -0.0 .
1 167 ARG 7 9 32 2 6.3 -0.7 .
1 168 ILE 6 30 65 18 27.7 1.3 >sigma
1 169 LEU 7 25 56 13 23.2 0.9 .
1 170 ASP 4 5 16 1 6.3 -0.7 .
1 171 ILE 6 22 62 10 16.1 0.2 .
1 172 LEU 7 27 52 14 26.9 1.2 >sigma
1 173 GLU 5 6 18 2 11.1 -0.2 .
1 174 TYR 6 11 48 5 10.4 -0.3 .
1 175 ILE 6 35 57 16 28.1 1.3 >sigma
1 176 HIS 6 9 26 6 23.1 0.9 .
1 177 GLU 5 6 12 2 16.7 0.3 .
1 178 HIS 6 6 21 4 19.0 0.5 .
1 179 GLU 5 4 11 2 18.2 0.4 .
1 180 TYR 6 10 47 5 10.6 -0.3 .
1 181 VAL 5 20 37 10 27.0 1.2 >sigma
1 182 HIS 6 9 13 4 30.8 1.6 >sigma
1 183 GLY 3 8 12 4 33.3 1.8 >sigma
1 184 ASP 4 6 16 4 25.0 1.0 >sigma
1 185 ILE 6 29 56 21 37.5 2.2 >sigma
1 186 LYS 7 12 35 6 17.1 0.3 .
1 187 ALA 3 20 37 8 21.6 0.7 .
1 188 SER 4 8 18 5 27.8 1.3 >sigma
1 189 ASN 6 11 24 4 16.7 0.3 .
1 190 LEU 7 40 82 22 26.8 1.2 >sigma
1 191 LEU 7 31 50 11 22.0 0.8 .
1 192 LEU 7 31 56 21 37.5 2.2 >sigma
1 193 ASN 6 8 26 4 15.4 0.2 .
1 194 TYR 6 3 29 3 10.3 -0.3 .
1 195 LYS 7 2 16 2 12.5 -0.1 .
1 196 ASN 6 2 13 2 15.4 0.2 .
1 197 PRO 5 0 10 0 0.0 -1.2 >sigma
1 198 ASP 4 1 9 1 11.1 -0.2 .
1 199 GLN 7 3 28 2 7.1 -0.6 .
1 200 VAL 5 22 64 18 28.1 1.3 >sigma
1 201 TYR 6 16 49 7 14.3 0.1 .
1 202 LEU 7 32 56 15 26.8 1.2 >sigma
1 203 VAL 5 22 39 11 28.2 1.3 >sigma
1 204 ASP 4 6 12 4 33.3 1.8 >sigma
1 205 TYR 6 14 35 7 20.0 0.6 .
1 206 GLY 3 5 9 2 22.2 0.8 .
1 207 LEU 7 7 14 4 28.6 1.4 >sigma
1 208 ALA 3 11 19 4 21.1 0.7 .
1 209 TYR 6 12 17 4 23.5 0.9 .
1 210 ARG 7 6 17 2 11.8 -0.2 .
1 211 TYR 6 9 28 7 25.0 1.0 >sigma
1 212 CYS 4 3 10 1 10.0 -0.3 .
1 213 PRO 5 0 9 0 0.0 -1.2 >sigma
1 214 GLU 5 1 10 1 10.0 -0.3 .
1 215 GLY 3 3 9 3 33.3 1.8 >sigma
1 216 VAL 5 2 9 2 22.2 0.8 .
1 217 HIS 6 0 9 0 0.0 -1.2 >sigma
1 218 LYS 7 0 9 0 0.0 -1.2 >sigma
1 219 GLU 5 0 10 0 0.0 -1.2 >sigma
1 220 TYR 6 6 15 2 13.3 -0.0 .
1 221 LYS 7 7 12 4 33.3 1.8 >sigma
1 222 GLU 5 6 15 3 20.0 0.6 .
1 223 ASP 4 3 10 2 20.0 0.6 .
1 224 PRO 5 0 7 0 0.0 -1.2 >sigma
1 225 LYS 7 2 8 2 25.0 1.0 >sigma
1 226 ARG 7 2 7 2 28.6 1.4 >sigma
1 227 CYS 4 3 9 2 22.2 0.8 .
1 228 HIS 6 2 9 1 11.1 -0.2 .
1 229 ASP 4 3 9 2 22.2 0.8 .
1 230 GLY 3 3 8 3 37.5 2.2 >sigma
1 231 THR 4 1 10 1 10.0 -0.3 .
1 232 ILE 6 22 42 11 26.2 1.1 >sigma
1 233 GLU 5 8 23 6 26.1 1.1 >sigma
1 234 PHE 7 15 48 3 6.3 -0.7 .
1 235 THR 4 7 14 2 14.3 0.1 .
1 236 SER 4 4 17 1 5.9 -0.7 .
1 237 ILE 6 10 38 5 13.2 -0.0 .
1 238 ASP 4 5 18 4 22.2 0.8 .
1 239 ALA 3 9 17 4 23.5 0.9 .
1 240 HIS 6 4 14 4 28.6 1.4 >sigma
1 241 ASN 6 4 16 4 25.0 1.0 >sigma
1 242 GLY 3 5 14 3 21.4 0.7 .
1 243 VAL 5 15 37 11 29.7 1.5 >sigma
1 244 ALA 3 6 10 3 30.0 1.5 >sigma
1 245 PRO 5 0 7 0 0.0 -1.2 >sigma
1 246 SER 4 0 7 0 0.0 -1.2 >sigma
1 247 ARG 7 0 14 0 0.0 -1.2 >sigma
1 248 ARG 7 1 18 1 5.6 -0.7 .
1 249 GLY 3 5 15 2 13.3 -0.0 .
1 250 ASP 4 5 22 3 13.6 0.0 .
1 251 LEU 7 24 50 14 28.0 1.3 >sigma
1 252 GLU 5 9 22 3 13.6 0.0 .
1 253 ILE 6 22 41 11 26.8 1.2 >sigma
1 254 LEU 7 35 62 19 30.6 1.5 >sigma
1 255 GLY 3 9 23 4 17.4 0.3 .
1 256 TYR 6 10 50 5 10.0 -0.3 .
1 257 CYS 4 10 25 3 12.0 -0.1 .
1 258 MET 6 36 63 17 27.0 1.2 >sigma
1 259 ILE 6 34 62 18 29.0 1.4 >sigma
1 260 GLN 7 9 48 7 14.6 0.1 .
1 261 TRP 10 22 60 8 13.3 -0.0 .
1 262 LEU 7 27 54 15 27.8 1.3 >sigma
1 263 THR 4 5 18 4 22.2 0.8 .
1 264 GLY 3 7 15 3 20.0 0.6 .
1 265 HIS 6 2 15 1 6.7 -0.6 .
1 266 LEU 7 15 64 8 12.5 -0.1 .
1 267 PRO 5 0 14 0 0.0 -1.2 >sigma
1 268 TRP 10 18 79 5 6.3 -0.7 .
1 269 GLU 5 6 37 3 8.1 -0.5 .
1 270 ASP 4 6 15 5 33.3 1.8 >sigma
1 271 ASN 6 7 17 4 23.5 0.9 .
1 272 LEU 7 22 44 13 29.5 1.4 >sigma
1 273 LYS 7 4 14 3 21.4 0.7 .
1 274 ASP 4 3 18 3 16.7 0.3 .
1 275 PRO 5 0 21 0 0.0 -1.2 >sigma
1 276 LYS 7 5 13 3 23.1 0.9 .
1 277 TYR 6 10 28 4 14.3 0.1 .
1 278 VAL 5 35 56 15 26.8 1.2 >sigma
1 279 ARG 7 8 22 5 22.7 0.8 .
1 280 ASP 4 7 16 2 12.5 -0.1 .
1 281 SER 4 6 27 2 7.4 -0.6 .
1 282 LYS 7 8 44 2 4.5 -0.8 .
1 283 ILE 6 10 38 5 13.2 -0.0 .
1 284 ARG 7 6 16 3 18.8 0.5 .
1 285 TYR 6 7 45 2 4.4 -0.8 .
1 286 ARG 7 4 23 2 8.7 -0.4 .
1 287 GLU 5 6 17 2 11.8 -0.2 .
1 288 ASN 6 6 23 2 8.7 -0.4 .
1 289 ILE 6 29 54 14 25.9 1.1 >sigma
1 290 ALA 3 10 14 5 35.7 2.0 >sigma
1 291 SER 4 6 19 3 15.8 0.2 .
1 292 LEU 7 27 59 15 25.4 1.1 >sigma
1 293 MET 6 23 55 14 25.5 1.1 >sigma
1 294 ASP 4 6 11 2 18.2 0.4 .
1 295 LYS 7 6 13 4 30.8 1.6 >sigma
1 296 CYS 4 5 23 2 8.7 -0.4 .
1 297 PHE 7 11 49 8 16.3 0.3 .
1 298 PRO 5 0 9 0 0.0 -1.2 >sigma
1 299 GLU 5 1 6 1 16.7 0.3 .
1 300 LYS 7 2 8 2 25.0 1.0 >sigma
1 301 ASN 6 1 8 1 12.5 -0.1 .
1 302 LYS 7 0 9 0 0.0 -1.2 >sigma
1 303 PRO 5 0 11 0 0.0 -1.2 >sigma
1 304 GLY 3 4 10 3 30.0 1.5 >sigma
1 305 GLU 5 7 25 2 8.0 -0.5 .
1 306 ILE 6 36 63 20 31.7 1.6 >sigma
1 307 ALA 3 18 26 8 30.8 1.6 >sigma
1 308 LYS 7 10 25 4 16.0 0.2 .
1 309 TYR 6 21 77 15 19.5 0.5 .
1 310 MET 6 39 56 16 28.6 1.4 >sigma
1 311 GLU 5 11 25 5 20.0 0.6 .
1 312 THR 4 10 30 4 13.3 -0.0 .
1 313 VAL 5 32 41 15 36.6 2.1 >sigma
1 314 LYS 7 8 35 7 20.0 0.6 .
1 315 LEU 7 8 11 2 18.2 0.4 .
1 316 LEU 7 17 38 7 18.4 0.4 .
1 317 ASP 4 3 9 1 11.1 -0.2 .
1 318 TYR 6 2 7 1 14.3 0.1 .
1 319 THR 4 2 8 2 25.0 1.0 >sigma
1 320 GLU 5 3 9 1 11.1 -0.2 .
1 321 LYS 7 1 11 0 0.0 -1.2 >sigma
1 322 PRO 5 0 12 0 0.0 -1.2 >sigma
1 323 LEU 7 5 28 2 7.1 -0.6 .
1 324 TYR 6 6 33 4 12.1 -0.1 .
1 325 GLU 5 5 12 2 16.7 0.3 .
1 326 ASN 6 4 22 2 9.1 -0.4 .
1 327 LEU 7 25 65 12 18.5 0.4 .
1 328 ARG 7 6 29 3 10.3 -0.3 .
1 329 ASP 4 7 19 2 10.5 -0.3 .
1 330 ILE 6 25 58 10 17.2 0.3 .
1 331 LEU 7 28 74 14 18.9 0.5 .
1 332 LEU 7 17 39 7 17.9 0.4 .
1 333 GLN 7 7 20 3 15.0 0.1 .
1 334 GLY 3 9 21 2 9.5 -0.4 .
1 335 LEU 7 16 55 8 14.5 0.1 .
1 336 LYS 7 5 16 2 12.5 -0.1 .
1 337 ALA 3 10 15 4 26.7 1.2 >sigma
1 338 ILE 6 16 35 8 22.9 0.8 .
1 339 GLY 3 4 7 2 28.6 1.4 >sigma
1 340 SER 4 5 11 3 27.3 1.2 >sigma
1 341 LYS 7 3 10 1 10.0 -0.3 .
1 342 ASP 4 3 8 1 12.5 -0.1 .
1 343 ASP 4 3 7 2 28.6 1.4 >sigma
1 344 GLY 3 2 7 2 28.6 1.4 >sigma
1 345 LYS 7 3 10 2 20.0 0.6 .
1 346 LEU 7 17 48 9 18.8 0.5 .
1 347 ASP 4 3 9 1 11.1 -0.2 .
1 348 LEU 7 26 61 21 34.4 1.9 >sigma
1 349 SER 4 4 9 2 22.2 0.8 .
1 350 VAL 5 11 28 9 32.1 1.7 >sigma
1 351 VAL 5 4 9 3 33.3 1.8 >sigma
1 352 GLU 5 2 9 2 22.2 0.8 .
1 353 ASN 6 0 9 0 0.0 -1.2 >sigma
1 354 GLY 3 0 7 0 0.0 -1.2 >sigma
1 355 GLY 3 0 6 0 0.0 -1.2 >sigma
1 356 LEU 7 0 8 0 0.0 -1.2 >sigma
1 357 LYS 7 0 9 0 0.0 -1.2 >sigma
1 358 ALA 3 0 7 0 0.0 -1.2 >sigma
1 359 LYS 7 0 8 0 0.0 -1.2 >sigma
1 360 THR 4 0 9 0 0.0 -1.2 >sigma
1 361 ILE 6 0 9 0 0.0 -1.2 >sigma
1 362 THR 4 0 9 0 0.0 -1.2 >sigma
1 363 LYS 7 0 8 0 0.0 -1.2 >sigma
1 364 LYS 7 0 9 0 0.0 -1.2 >sigma
1 365 ARG 7 0 10 0 0.0 -1.2 >sigma
1 366 LYS 7 0 10 0 0.0 -1.2 >sigma
1 367 LYS 7 0 10 0 0.0 -1.2 >sigma
1 368 GLU 5 0 8 0 0.0 -1.2 >sigma
1 369 ILE 6 0 7 0 0.0 -1.2 >sigma
1 370 GLU 5 0 8 0 0.0 -1.2 >sigma
1 371 GLU 5 0 8 0 0.0 -1.2 >sigma
1 372 SER 4 0 8 0 0.0 -1.2 >sigma
1 373 LYS 7 0 9 0 0.0 -1.2 >sigma
1 374 GLU 5 0 10 0 0.0 -1.2 >sigma
1 375 PRO 5 0 8 0 0.0 -1.2 >sigma
1 376 GLY 3 0 6 0 0.0 -1.2 >sigma
1 377 VAL 5 0 8 0 0.0 -1.2 >sigma
1 378 GLU 5 0 9 0 0.0 -1.2 >sigma
1 379 ASP 4 0 8 0 0.0 -1.2 >sigma
1 380 THR 4 0 8 0 0.0 -1.2 >sigma
1 381 GLU 5 0 9 0 0.0 -1.2 >sigma
1 382 TRP 10 0 9 0 0.0 -1.2 >sigma
1 383 SER 4 0 8 0 0.0 -1.2 >sigma
1 384 ASN 6 0 8 0 0.0 -1.2 >sigma
1 385 THR 4 0 8 0 0.0 -1.2 >sigma
1 386 GLN 7 0 9 0 0.0 -1.2 >sigma
1 387 THR 4 0 9 0 0.0 -1.2 >sigma
1 388 GLU 5 0 9 0 0.0 -1.2 >sigma
1 389 GLU 5 0 10 0 0.0 -1.2 >sigma
1 390 ALA 3 0 8 0 0.0 -1.2 >sigma
1 391 ILE 6 0 8 0 0.0 -1.2 >sigma
1 392 GLN 7 0 10 0 0.0 -1.2 >sigma
1 393 THR 4 0 9 0 0.0 -1.2 >sigma
1 394 ARG 7 0 9 0 0.0 -1.2 >sigma
1 395 SER 4 0 9 0 0.0 -1.2 >sigma
1 396 ARG 7 0 9 0 0.0 -1.2 >sigma
1 397 THR 4 0 9 0 0.0 -1.2 >sigma
1 398 ARG 7 0 9 0 0.0 -1.2 >sigma
1 399 LYS 7 0 10 0 0.0 -1.2 >sigma
1 400 ARG 7 0 9 0 0.0 -1.2 >sigma
1 401 VAL 5 0 9 0 0.0 -1.2 >sigma
1 402 GLN 7 0 9 0 0.0 -1.2 >sigma
1 403 LYS 7 0 4 0 0.0 -1.2 >sigma
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