NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
518635 |
2lag   |
16677 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_2lag
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 10
_NOE_completeness_stats.Residue_count 377
_NOE_completeness_stats.Total_atom_count 6052
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 2120
_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 1.0
_NOE_completeness_stats.Constraint_unexpanded_count 84
_NOE_completeness_stats.Constraint_count 149
_NOE_completeness_stats.Constraint_exp_unfiltered_count 5499
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 8
_NOE_completeness_stats.Constraint_intraresidue_count 0
_NOE_completeness_stats.Constraint_surplus_count 5
_NOE_completeness_stats.Constraint_observed_count 136
_NOE_completeness_stats.Constraint_expected_count 5497
_NOE_completeness_stats.Constraint_matched_count 56
_NOE_completeness_stats.Constraint_unmatched_count 80
_NOE_completeness_stats.Constraint_exp_nonobs_count 5441
_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 1579 0 0.0 -0.5 .
medium-range 0 1234 0 0.0 -0.5 .
long-range 0 2402 0 0.0 -0.5 .
intermolecular 136 282 56 19.9 1.4 >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 31 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 2.00 2.50 643 7 0 0 1 1 0 2 2 0 . 1 1.1 1.0
shell 2.50 3.00 994 16 0 0 0 1 3 7 2 1 . 2 1.6 1.4
shell 3.00 3.50 1481 15 0 0 1 1 3 7 0 2 . 1 1.0 1.2
shell 3.50 4.00 2348 18 0 0 2 3 4 4 4 0 . 1 0.8 1.0
shell 4.00 4.50 3930 11 0 0 0 0 3 3 0 5 . 0 0.3 0.7
shell 4.50 5.00 5128 16 0 0 0 0 0 4 6 6 . 0 0.3 0.6
shell 5.00 5.50 6184 12 0 0 0 0 1 5 2 2 . 2 0.2 0.5
shell 5.50 6.00 7352 7 0 0 0 1 0 2 1 3 . 0 0.1 0.4
shell 6.00 6.50 8071 7 0 0 0 0 1 1 0 1 . 4 0.1 0.3
shell 6.50 7.00 9173 2 0 0 0 0 2 0 0 0 . 0 0.0 0.2
shell 7.00 7.50 9805 2 0 0 0 1 0 0 0 0 . 1 0.0 0.2
shell 7.50 8.00 11148 0 0 0 0 0 0 0 0 0 . 0 0.0 0.2
shell 8.00 8.50 12086 1 0 0 0 0 0 1 0 0 . 0 0.0 0.1
shell 8.50 9.00 12896 3 0 0 0 1 1 0 0 0 . 1 0.0 0.1
sums . . 91270 117 0 0 4 9 18 36 17 20 . 13 . .
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 SER 4 0 1 0 0.0 -0.2 .
1 2 TYR 6 0 6 0 0.0 -0.2 .
1 3 ASP 4 0 8 0 0.0 -0.2 .
1 4 SER 4 0 7 0 0.0 -0.2 .
1 5 PRO 5 0 10 0 0.0 -0.2 .
1 6 ASP 4 0 4 0 0.0 -0.2 .
1 7 TYR 6 0 14 0 0.0 -0.2 .
1 8 THR 4 0 16 0 0.0 -0.2 .
1 9 ASP 4 0 19 0 0.0 -0.2 .
1 10 GLU 5 0 18 0 0.0 -0.2 .
1 11 SER 4 0 15 0 0.0 -0.2 .
1 12 CYS 4 0 18 0 0.0 -0.2 .
1 13 THR 4 0 15 0 0.0 -0.2 .
1 14 PHE 7 0 40 0 0.0 -0.2 .
1 15 LYS 7 0 11 0 0.0 -0.2 .
1 16 ILE 6 0 38 0 0.0 -0.2 .
1 17 SER 4 0 16 0 0.0 -0.2 .
1 18 LEU 7 0 40 0 0.0 -0.2 .
1 19 ARG 7 0 37 0 0.0 -0.2 .
1 20 ASN 6 0 30 0 0.0 -0.2 .
1 21 PHE 7 0 47 0 0.0 -0.2 .
1 22 ARG 7 0 30 0 0.0 -0.2 .
1 23 SER 4 0 25 0 0.0 -0.2 .
1 24 ILE 6 0 47 0 0.0 -0.2 .
1 25 LEU 7 0 47 0 0.0 -0.2 .
1 26 SER 4 0 20 0 0.0 -0.2 .
1 27 TRP 10 0 55 0 0.0 -0.2 .
1 28 GLU 5 0 17 0 0.0 -0.2 .
1 29 LEU 7 0 38 0 0.0 -0.2 .
1 30 LYS 7 0 24 0 0.0 -0.2 .
1 31 ASN 6 0 18 0 0.0 -0.2 .
1 32 HIS 6 0 15 0 0.0 -0.2 .
1 33 SER 4 0 11 0 0.0 -0.2 .
1 34 ILE 6 0 29 0 0.0 -0.2 .
1 35 VAL 5 0 16 0 0.0 -0.2 .
1 36 PRO 5 0 35 0 0.0 -0.2 .
1 37 THR 4 0 13 0 0.0 -0.2 .
1 38 HIS 6 0 25 0 0.0 -0.2 .
1 39 TYR 6 0 40 0 0.0 -0.2 .
1 40 THR 4 0 32 0 0.0 -0.2 .
1 41 LEU 7 0 53 0 0.0 -0.2 .
1 42 LEU 7 0 54 0 0.0 -0.2 .
1 43 TYR 6 0 48 0 0.0 -0.2 .
1 44 THR 4 4 41 4 9.8 2.8 >sigma
1 45 ILE 6 0 35 0 0.0 -0.2 .
1 46 MET 6 25 47 8 17.0 5.0 >sigma
1 47 SER 4 0 35 0 0.0 -0.2 .
1 48 LYS 7 5 56 1 1.8 0.3 .
1 49 PRO 5 21 49 10 20.4 6.1 >sigma
1 50 GLU 5 3 22 1 4.5 1.2 >sigma
1 51 ASP 4 0 7 0 0.0 -0.2 .
1 52 LEU 7 8 32 6 18.8 5.6 >sigma
1 53 LYS 7 0 16 0 0.0 -0.2 .
1 54 VAL 5 0 29 0 0.0 -0.2 .
1 55 VAL 5 0 34 0 0.0 -0.2 .
1 56 LYS 7 0 11 0 0.0 -0.2 .
1 57 ASN 6 0 12 0 0.0 -0.2 .
1 58 CYS 4 0 26 0 0.0 -0.2 .
1 59 ALA 3 0 20 0 0.0 -0.2 .
1 60 ASN 6 0 10 0 0.0 -0.2 .
1 61 THR 4 0 23 0 0.0 -0.2 .
1 62 THR 4 0 12 0 0.0 -0.2 .
1 63 ARG 7 0 25 0 0.0 -0.2 .
1 64 SER 4 0 12 0 0.0 -0.2 .
1 65 PHE 7 0 34 0 0.0 -0.2 .
1 66 CYS 4 0 25 0 0.0 -0.2 .
1 67 ASP 4 0 17 0 0.0 -0.2 .
1 68 LEU 7 0 43 0 0.0 -0.2 .
1 69 THR 4 0 24 0 0.0 -0.2 .
1 70 ASP 4 0 15 0 0.0 -0.2 .
1 71 GLU 5 0 30 0 0.0 -0.2 .
1 72 TRP 10 0 47 0 0.0 -0.2 .
1 73 ARG 7 0 11 0 0.0 -0.2 .
1 74 SER 4 1 19 0 0.0 -0.2 .
1 75 THR 4 0 18 0 0.0 -0.2 .
1 76 HIS 6 12 23 4 17.4 5.1 >sigma
1 77 GLU 5 0 30 0 0.0 -0.2 .
1 78 ALA 3 0 31 0 0.0 -0.2 .
1 79 TYR 6 0 36 0 0.0 -0.2 .
1 80 VAL 5 11 54 5 9.3 2.6 >sigma
1 81 THR 4 0 28 0 0.0 -0.2 .
1 82 VAL 5 8 45 6 13.3 3.9 >sigma
1 83 LEU 7 0 55 0 0.0 -0.2 .
1 84 GLU 5 0 31 0 0.0 -0.2 .
1 85 GLY 3 0 20 0 0.0 -0.2 .
1 86 PHE 7 0 31 0 0.0 -0.2 .
1 87 SER 4 0 23 0 0.0 -0.2 .
1 88 GLY 3 0 10 0 0.0 -0.2 .
1 89 ASN 6 0 7 0 0.0 -0.2 .
1 90 THR 4 0 10 0 0.0 -0.2 .
1 91 THR 4 0 19 0 0.0 -0.2 .
1 92 LEU 7 0 37 0 0.0 -0.2 .
1 93 PHE 7 0 45 0 0.0 -0.2 .
1 94 SER 4 0 13 0 0.0 -0.2 .
1 95 CYS 4 0 20 0 0.0 -0.2 .
1 96 SER 4 6 25 2 8.0 2.2 >sigma
1 97 HIS 6 1 20 0 0.0 -0.2 .
1 98 ASN 6 0 26 0 0.0 -0.2 .
1 99 PHE 7 0 17 0 0.0 -0.2 .
1 100 TRP 10 24 52 9 17.3 5.1 >sigma
1 101 LEU 7 0 41 0 0.0 -0.2 .
1 102 ALA 3 0 21 0 0.0 -0.2 .
1 103 ILE 6 0 41 0 0.0 -0.2 .
1 104 ASP 4 0 19 0 0.0 -0.2 .
1 105 MET 6 0 32 0 0.0 -0.2 .
1 106 SER 4 0 20 0 0.0 -0.2 .
1 107 PHE 7 0 47 0 0.0 -0.2 .
1 108 GLU 5 0 19 0 0.0 -0.2 .
1 109 PRO 5 0 31 0 0.0 -0.2 .
1 110 PRO 5 0 34 0 0.0 -0.2 .
1 111 GLU 5 0 19 0 0.0 -0.2 .
1 112 PHE 7 0 47 0 0.0 -0.2 .
1 113 GLU 5 0 27 0 0.0 -0.2 .
1 114 ILE 6 0 56 0 0.0 -0.2 .
1 115 VAL 5 0 29 0 0.0 -0.2 .
1 116 GLY 3 0 18 0 0.0 -0.2 .
1 117 PHE 7 0 33 0 0.0 -0.2 .
1 118 THR 4 0 18 0 0.0 -0.2 .
1 119 ASN 6 0 14 0 0.0 -0.2 .
1 120 HIS 6 0 28 0 0.0 -0.2 .
1 121 ILE 6 0 55 0 0.0 -0.2 .
1 122 ASN 6 0 38 0 0.0 -0.2 .
1 123 VAL 5 0 50 0 0.0 -0.2 .
1 124 MET 6 0 31 0 0.0 -0.2 .
1 125 VAL 5 0 50 0 0.0 -0.2 .
1 126 LYS 7 0 39 0 0.0 -0.2 .
1 127 PHE 7 0 54 0 0.0 -0.2 .
1 128 PRO 5 0 34 0 0.0 -0.2 .
1 129 SER 4 0 5 0 0.0 -0.2 .
1 130 ILE 6 0 32 0 0.0 -0.2 .
1 131 VAL 5 0 27 0 0.0 -0.2 .
1 132 GLU 5 0 18 0 0.0 -0.2 .
1 133 GLU 5 0 17 0 0.0 -0.2 .
1 134 GLU 5 4 21 0 0.0 -0.2 .
1 135 LEU 7 0 33 0 0.0 -0.2 .
1 136 GLN 7 0 16 0 0.0 -0.2 .
1 137 PHE 7 0 27 0 0.0 -0.2 .
1 138 ASP 4 0 8 0 0.0 -0.2 .
1 139 LEU 7 0 31 0 0.0 -0.2 .
1 140 SER 4 0 19 0 0.0 -0.2 .
1 141 LEU 7 0 60 0 0.0 -0.2 .
1 142 VAL 5 0 50 0 0.0 -0.2 .
1 143 ILE 6 0 60 0 0.0 -0.2 .
1 144 GLU 5 0 34 0 0.0 -0.2 .
1 145 GLU 5 0 32 0 0.0 -0.2 .
1 146 GLN 7 0 37 0 0.0 -0.2 .
1 147 SER 4 0 30 0 0.0 -0.2 .
1 148 GLU 5 0 22 0 0.0 -0.2 .
1 149 GLY 3 0 10 0 0.0 -0.2 .
1 150 ILE 6 0 18 0 0.0 -0.2 .
1 151 VAL 5 0 19 0 0.0 -0.2 .
1 152 LYS 7 0 22 0 0.0 -0.2 .
1 153 LYS 7 0 23 0 0.0 -0.2 .
1 154 HIS 6 0 31 0 0.0 -0.2 .
1 155 LYS 7 0 27 0 0.0 -0.2 .
1 156 PRO 5 0 32 0 0.0 -0.2 .
1 157 GLU 5 0 13 0 0.0 -0.2 .
1 158 ILE 6 0 51 0 0.0 -0.2 .
1 159 LYS 7 3 13 0 0.0 -0.2 .
1 160 GLY 3 0 8 0 0.0 -0.2 .
1 161 ASN 6 0 23 0 0.0 -0.2 .
1 162 MET 6 0 36 0 0.0 -0.2 .
1 163 SER 4 0 13 0 0.0 -0.2 .
1 164 GLY 3 0 13 0 0.0 -0.2 .
1 165 ASN 6 0 13 0 0.0 -0.2 .
1 166 PHE 7 0 53 0 0.0 -0.2 .
1 167 THR 4 0 15 0 0.0 -0.2 .
1 168 TYR 6 0 45 0 0.0 -0.2 .
1 169 ILE 6 0 28 0 0.0 -0.2 .
1 170 ILE 6 0 52 0 0.0 -0.2 .
1 171 ASP 4 0 20 0 0.0 -0.2 .
1 172 LYS 7 0 8 0 0.0 -0.2 .
1 173 LEU 7 0 34 0 0.0 -0.2 .
1 174 ILE 6 0 16 0 0.0 -0.2 .
1 175 PRO 5 0 24 0 0.0 -0.2 .
1 176 ASN 6 0 30 0 0.0 -0.2 .
1 177 THR 4 0 36 0 0.0 -0.2 .
1 178 ASN 6 0 25 0 0.0 -0.2 .
1 179 TYR 6 0 57 0 0.0 -0.2 .
1 180 CYS 4 0 23 0 0.0 -0.2 .
1 181 VAL 5 0 51 0 0.0 -0.2 .
1 182 SER 4 0 32 0 0.0 -0.2 .
1 183 VAL 5 0 34 0 0.0 -0.2 .
1 184 TYR 6 0 51 0 0.0 -0.2 .
1 185 LEU 7 0 55 0 0.0 -0.2 .
1 186 GLU 5 0 25 0 0.0 -0.2 .
1 187 HIS 6 0 19 0 0.0 -0.2 .
1 188 SER 4 0 19 0 0.0 -0.2 .
1 189 ASP 4 0 18 0 0.0 -0.2 .
1 190 GLU 5 0 15 0 0.0 -0.2 .
1 191 GLN 7 0 16 0 0.0 -0.2 .
1 192 ALA 3 0 22 0 0.0 -0.2 .
1 193 VAL 5 0 22 0 0.0 -0.2 .
1 194 ILE 6 0 42 0 0.0 -0.2 .
1 195 LYS 7 0 27 0 0.0 -0.2 .
1 196 SER 4 0 16 0 0.0 -0.2 .
1 197 PRO 5 0 11 0 0.0 -0.2 .
1 198 LEU 7 0 36 0 0.0 -0.2 .
1 199 LYS 7 0 32 0 0.0 -0.2 .
1 200 CYS 4 0 8 0 0.0 -0.2 .
1 201 THR 4 0 22 0 0.0 -0.2 .
1 202 LEU 7 0 36 0 0.0 -0.2 .
1 203 LEU 7 0 51 0 0.0 -0.2 .
1 204 PRO 5 0 19 0 0.0 -0.2 .
1 205 PRO 5 0 30 0 0.0 -0.2 .
1 206 GLY 3 0 19 0 0.0 -0.2 .
1 207 GLN 7 0 22 0 0.0 -0.2 .
1 208 GLU 5 0 9 0 0.0 -0.2 .
1 209 SER 4 0 12 0 0.0 -0.2 .
1 210 GLU 5 0 6 0 0.0 -0.2 .
1 211 PHE 7 0 11 0 0.0 -0.2 .
1 212 SER 4 0 4 0 0.0 -0.2 .
2 1 CYS 4 0 15 0 0.0 -0.2 .
2 2 ASP 4 0 7 0 0.0 -0.2 .
2 3 LEU 7 0 18 0 0.0 -0.2 .
2 4 PRO 5 0 14 0 0.0 -0.2 .
2 5 GLN 7 0 6 0 0.0 -0.2 .
2 6 THR 4 2 12 0 0.0 -0.2 .
2 7 HIS 6 0 11 0 0.0 -0.2 .
2 8 SER 4 0 5 0 0.0 -0.2 .
2 9 LEU 7 0 18 0 0.0 -0.2 .
2 10 GLY 3 0 15 0 0.0 -0.2 .
2 11 SER 4 1 12 1 8.3 2.4 >sigma
2 12 ARG 7 0 34 0 0.0 -0.2 .
2 13 ARG 7 0 39 0 0.0 -0.2 .
2 14 THR 4 0 35 0 0.0 -0.2 .
2 15 LEU 7 14 44 6 13.6 4.0 >sigma
2 16 MET 6 0 43 0 0.0 -0.2 .
2 17 LEU 7 0 65 0 0.0 -0.2 .
2 18 LEU 7 0 62 0 0.0 -0.2 .
2 19 ALA 3 0 25 0 0.0 -0.2 .
2 20 GLN 7 0 26 0 0.0 -0.2 .
2 21 MET 6 0 43 0 0.0 -0.2 .
2 22 ARG 7 4 35 0 0.0 -0.2 .
2 23 LYS 7 0 28 0 0.0 -0.2 .
2 24 ILE 6 0 27 0 0.0 -0.2 .
2 25 SER 4 1 27 0 0.0 -0.2 .
2 26 LEU 7 12 56 9 16.1 4.7 >sigma
2 27 PHE 7 39 71 22 31.0 9.3 >sigma
2 28 SER 4 0 18 0 0.0 -0.2 .
2 29 CYS 4 0 18 0 0.0 -0.2 .
2 30 LEU 7 14 37 7 18.9 5.6 >sigma
2 31 LYS 7 0 15 0 0.0 -0.2 .
2 32 ASP 4 0 26 0 0.0 -0.2 .
2 33 ARG 7 6 50 1 2.0 0.4 .
2 34 HIS 6 0 12 0 0.0 -0.2 .
2 35 ASP 4 4 15 1 6.7 1.8 >sigma
2 36 PHE 7 0 54 0 0.0 -0.2 .
2 37 GLY 3 0 11 0 0.0 -0.2 .
2 38 PHE 7 0 40 0 0.0 -0.2 .
2 39 PRO 5 0 25 0 0.0 -0.2 .
2 40 GLN 7 0 24 0 0.0 -0.2 .
2 41 GLU 5 0 17 0 0.0 -0.2 .
2 42 GLU 5 0 24 0 0.0 -0.2 .
2 43 PHE 7 0 53 0 0.0 -0.2 .
2 44 GLY 3 0 17 0 0.0 -0.2 .
2 45 ASN 6 0 11 0 0.0 -0.2 .
2 46 GLN 7 0 15 0 0.0 -0.2 .
2 47 PHE 7 0 49 0 0.0 -0.2 .
2 48 GLN 7 0 18 0 0.0 -0.2 .
2 49 LYS 7 0 21 0 0.0 -0.2 .
2 50 ALA 3 0 27 0 0.0 -0.2 .
2 51 GLU 5 0 29 0 0.0 -0.2 .
2 52 THR 4 0 36 0 0.0 -0.2 .
2 53 ILE 6 0 59 0 0.0 -0.2 .
2 54 PRO 5 0 39 0 0.0 -0.2 .
2 55 VAL 5 0 47 0 0.0 -0.2 .
2 56 LEU 7 0 59 0 0.0 -0.2 .
2 57 HIS 6 0 44 0 0.0 -0.2 .
2 58 GLU 5 0 24 0 0.0 -0.2 .
2 59 MET 6 0 60 0 0.0 -0.2 .
2 60 ILE 6 0 74 0 0.0 -0.2 .
2 61 GLN 7 0 32 0 0.0 -0.2 .
2 62 GLN 7 0 42 0 0.0 -0.2 .
2 63 ILE 6 0 63 0 0.0 -0.2 .
2 64 PHE 7 0 48 0 0.0 -0.2 .
2 65 ASN 6 0 20 0 0.0 -0.2 .
2 66 LEU 7 0 48 0 0.0 -0.2 .
2 67 PHE 7 0 59 0 0.0 -0.2 .
2 68 SER 4 0 15 0 0.0 -0.2 .
2 69 THR 4 0 16 0 0.0 -0.2 .
2 70 LYS 7 0 10 0 0.0 -0.2 .
2 71 ASP 4 0 22 0 0.0 -0.2 .
2 72 SER 4 0 29 0 0.0 -0.2 .
2 73 SER 4 0 17 0 0.0 -0.2 .
2 74 ALA 3 0 13 0 0.0 -0.2 .
2 75 ALA 3 0 18 0 0.0 -0.2 .
2 76 TRP 10 0 60 0 0.0 -0.2 .
2 77 ASP 4 0 30 0 0.0 -0.2 .
2 78 GLU 5 0 17 0 0.0 -0.2 .
2 79 THR 4 0 20 0 0.0 -0.2 .
2 80 LEU 7 0 49 0 0.0 -0.2 .
2 81 LEU 7 0 54 0 0.0 -0.2 .
2 82 ASP 4 0 19 0 0.0 -0.2 .
2 83 LYS 7 0 34 0 0.0 -0.2 .
2 84 PHE 7 0 72 0 0.0 -0.2 .
2 85 TYR 6 0 40 0 0.0 -0.2 .
2 86 THR 4 0 20 0 0.0 -0.2 .
2 87 GLU 5 0 33 0 0.0 -0.2 .
2 88 LEU 7 0 57 0 0.0 -0.2 .
2 89 TYR 6 0 29 0 0.0 -0.2 .
2 90 GLN 7 0 28 0 0.0 -0.2 .
2 91 GLN 7 0 41 0 0.0 -0.2 .
2 92 LEU 7 0 58 0 0.0 -0.2 .
2 93 ASN 6 0 16 0 0.0 -0.2 .
2 94 ASP 4 0 18 0 0.0 -0.2 .
2 95 LEU 7 0 59 0 0.0 -0.2 .
2 96 GLU 5 0 29 0 0.0 -0.2 .
2 97 ALA 3 0 22 0 0.0 -0.2 .
2 98 CYS 4 0 35 0 0.0 -0.2 .
2 99 VAL 5 0 42 0 0.0 -0.2 .
2 100 ILE 6 0 27 0 0.0 -0.2 .
2 101 GLN 7 0 23 0 0.0 -0.2 .
2 102 GLY 3 0 8 0 0.0 -0.2 .
2 103 VAL 5 0 30 0 0.0 -0.2 .
2 104 GLY 3 0 9 0 0.0 -0.2 .
2 105 VAL 5 0 50 0 0.0 -0.2 .
2 106 THR 4 0 25 0 0.0 -0.2 .
2 107 GLU 5 0 8 0 0.0 -0.2 .
2 108 THR 4 0 22 0 0.0 -0.2 .
2 109 PRO 5 0 17 0 0.0 -0.2 .
2 110 LEU 7 0 20 0 0.0 -0.2 .
2 111 MET 6 0 35 0 0.0 -0.2 .
2 112 LYS 7 0 40 0 0.0 -0.2 .
2 113 GLU 5 0 34 0 0.0 -0.2 .
2 114 ASP 4 0 20 0 0.0 -0.2 .
2 115 SER 4 0 25 0 0.0 -0.2 .
2 116 ILE 6 0 48 0 0.0 -0.2 .
2 117 LEU 7 0 28 0 0.0 -0.2 .
2 118 ALA 3 0 20 0 0.0 -0.2 .
2 119 VAL 5 0 48 0 0.0 -0.2 .
2 120 ARG 7 0 33 0 0.0 -0.2 .
2 121 LYS 7 0 21 0 0.0 -0.2 .
2 122 TYR 6 0 44 0 0.0 -0.2 .
2 123 PHE 7 0 69 0 0.0 -0.2 .
2 124 GLN 7 0 26 0 0.0 -0.2 .
2 125 ARG 7 0 29 0 0.0 -0.2 .
2 126 ILE 6 0 58 0 0.0 -0.2 .
2 127 THR 4 0 26 0 0.0 -0.2 .
2 128 LEU 7 0 24 0 0.0 -0.2 .
2 129 TYR 6 0 48 0 0.0 -0.2 .
2 130 LEU 7 0 62 0 0.0 -0.2 .
2 131 LYS 7 0 24 0 0.0 -0.2 .
2 132 GLU 5 0 17 0 0.0 -0.2 .
2 133 LYS 7 0 35 0 0.0 -0.2 .
2 134 LYS 7 0 10 0 0.0 -0.2 .
2 135 TYR 6 0 39 0 0.0 -0.2 .
2 136 SER 4 0 18 0 0.0 -0.2 .
2 137 PRO 5 0 16 0 0.0 -0.2 .
2 138 CYS 4 0 23 0 0.0 -0.2 .
2 139 ALA 3 0 32 0 0.0 -0.2 .
2 140 TRP 10 0 60 0 0.0 -0.2 .
2 141 GLU 5 0 31 0 0.0 -0.2 .
2 142 VAL 5 4 50 1 2.0 0.4 .
2 143 VAL 5 0 53 0 0.0 -0.2 .
2 144 ARG 7 1 68 0 0.0 -0.2 .
2 145 ALA 3 8 32 2 6.3 1.7 >sigma
2 146 GLU 5 0 36 0 0.0 -0.2 .
2 147 ILE 6 0 61 0 0.0 -0.2 .
2 148 MET 6 6 53 2 3.8 0.9 .
2 149 ARG 7 1 39 0 0.0 -0.2 .
2 150 SER 4 0 25 0 0.0 -0.2 .
2 151 PHE 7 0 48 0 0.0 -0.2 .
2 152 SER 4 5 25 2 8.0 2.2 >sigma
2 153 LEU 7 9 33 2 6.1 1.7 >sigma
2 154 SER 4 0 25 0 0.0 -0.2 .
2 155 THR 4 0 18 0 0.0 -0.2 .
2 156 ASN 6 0 26 0 0.0 -0.2 .
2 157 LEU 7 0 36 0 0.0 -0.2 .
2 158 GLN 7 0 19 0 0.0 -0.2 .
2 159 GLU 5 1 13 0 0.0 -0.2 .
2 160 SER 4 0 13 0 0.0 -0.2 .
2 161 LEU 7 4 7 0 0.0 -0.2 .
2 162 ARG 7 0 19 0 0.0 -0.2 .
2 163 SER 4 0 12 0 0.0 -0.2 .
2 164 LYS 7 0 5 0 0.0 -0.2 .
2 165 GLU 5 0 7 0 0.0 -0.2 .
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