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 |
|
|
603320 |
5id3   |
30021 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_5id3
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 15
_NOE_completeness_stats.Residue_count 795
_NOE_completeness_stats.Total_atom_count 12675
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 4395
_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 2366
_NOE_completeness_stats.Constraint_count 2371
_NOE_completeness_stats.Constraint_exp_unfiltered_count 7650
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 20
_NOE_completeness_stats.Constraint_intraresidue_count 118
_NOE_completeness_stats.Constraint_surplus_count 5
_NOE_completeness_stats.Constraint_observed_count 2228
_NOE_completeness_stats.Constraint_expected_count 7650
_NOE_completeness_stats.Constraint_matched_count 1307
_NOE_completeness_stats.Constraint_unmatched_count 921
_NOE_completeness_stats.Constraint_exp_nonobs_count 6343
_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 1231 3330 980 29.4 1.4 >sigma
medium-range 650 1922 196 10.2 -0.2 .
long-range 145 852 55 6.5 -0.5 .
intermolecular 202 1546 76 4.9 -0.6 .
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 22 5 0 0 5 0 0 0 0 0 . 0 22.7 22.7
shell 2.00 2.50 237 54 0 5 33 5 7 4 0 0 . 0 22.8 22.8
shell 2.50 3.00 1480 445 0 7 258 106 64 10 0 0 . 0 30.1 29.0
shell 3.00 3.50 2119 305 0 3 58 86 117 35 6 0 . 0 14.4 21.0
shell 3.50 4.00 3792 498 0 0 11 99 236 101 37 14 . 0 13.1 17.1
shell 4.00 4.50 5423 398 0 0 0 43 91 141 81 42 . 0 7.3 13.0
shell 4.50 5.00 8307 317 0 0 0 8 42 138 96 32 . 1 3.8 9.5
shell 5.00 5.50 11457 115 0 0 0 0 4 27 49 32 . 3 1.0 6.5
shell 5.50 6.00 13579 73 0 0 0 0 0 9 44 19 . 1 0.5 4.8
shell 6.00 6.50 15010 17 0 0 0 0 0 0 2 15 . 0 0.1 3.6
shell 6.50 7.00 16393 1 0 0 0 0 0 0 0 1 . 0 0.0 2.9
shell 7.00 7.50 17952 0 0 0 0 0 0 0 0 0 . 0 0.0 2.3
shell 7.50 8.00 19847 0 0 0 0 0 0 0 0 0 . 0 0.0 1.9
shell 8.00 8.50 21843 0 0 0 0 0 0 0 0 0 . 0 0.0 1.6
shell 8.50 9.00 23522 0 0 0 0 0 0 0 0 0 . 0 0.0 1.4
sums . . 160983 2228 0 15 365 347 561 465 315 155 . 5 . .
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 MET 6 0 4 0 0.0 -1.1 >sigma
1 2 ALA 3 0 7 0 0.0 -1.1 >sigma
1 3 ALA 3 0 5 0 0.0 -1.1 >sigma
1 4 LEU 7 0 7 0 0.0 -1.1 >sigma
1 5 SER 4 0 9 0 0.0 -1.1 >sigma
1 6 VAL 5 0 8 0 0.0 -1.1 >sigma
1 7 ASP 4 0 7 0 0.0 -1.1 >sigma
1 8 GLU 5 0 7 0 0.0 -1.1 >sigma
1 9 TYR 6 0 7 0 0.0 -1.1 >sigma
1 10 LYS 7 0 8 0 0.0 -1.1 >sigma
1 11 LEU 7 0 7 0 0.0 -1.1 >sigma
1 12 SER 4 5 7 3 42.9 1.6 >sigma
1 13 ARG 7 4 8 3 37.5 1.2 >sigma
1 14 GLU 5 3 13 3 23.1 0.3 .
1 15 LYS 7 3 12 2 16.7 -0.1 .
1 16 LYS 7 3 22 2 9.1 -0.5 .
1 17 LEU 7 0 16 0 0.0 -1.1 >sigma
1 18 LEU 7 4 18 1 5.6 -0.8 .
1 19 LEU 7 9 39 2 5.1 -0.8 .
1 20 GLN 7 6 21 3 14.3 -0.2 .
1 21 LEU 7 8 17 5 29.4 0.7 .
1 22 GLU 5 7 24 4 16.7 -0.1 .
1 23 ASN 6 8 21 4 19.0 0.1 .
1 24 ALA 3 11 15 5 33.3 1.0 .
1 25 GLU 5 11 11 6 54.5 2.3 >sigma
1 26 THR 4 11 29 6 20.7 0.2 .
1 27 LEU 7 8 17 4 23.5 0.4 .
1 28 LEU 7 8 26 5 19.2 0.1 .
1 29 ALA 3 10 12 5 41.7 1.5 >sigma
1 30 PRO 5 5 16 1 6.3 -0.7 .
1 31 LEU 7 3 25 1 4.0 -0.8 .
1 32 HIS 6 11 17 6 35.3 1.1 >sigma
1 33 ASP 4 10 15 6 40.0 1.4 >sigma
1 34 ALA 3 8 13 7 53.8 2.3 >sigma
1 35 LYS 7 5 19 5 26.3 0.5 .
1 36 ARG 7 2 15 1 6.7 -0.7 .
1 37 LYS 7 1 15 1 6.7 -0.7 .
1 38 ILE 6 1 18 0 0.0 -1.1 >sigma
1 39 GLU 5 0 11 0 0.0 -1.1 >sigma
1 40 GLN 7 0 12 0 0.0 -1.1 >sigma
1 41 GLU 5 0 11 0 0.0 -1.1 >sigma
1 42 ALA 3 1 9 0 0.0 -1.1 >sigma
1 43 GLU 5 1 11 1 9.1 -0.5 .
1 44 ALA 3 2 12 0 0.0 -1.1 >sigma
1 45 HIS 6 1 19 0 0.0 -1.1 >sigma
1 46 THR 4 4 17 3 17.6 0.0 .
1 47 ASP 4 6 10 5 50.0 2.0 >sigma
1 48 ARG 7 9 19 8 42.1 1.5 >sigma
1 49 VAL 5 17 26 8 30.8 0.8 .
1 50 ALA 3 10 16 7 43.8 1.6 >sigma
1 51 TRP 10 12 25 7 28.0 0.7 .
1 52 ALA 3 11 23 7 30.4 0.8 .
1 53 GLY 3 9 14 6 42.9 1.6 >sigma
1 54 PHE 7 7 14 4 28.6 0.7 .
1 55 ALA 3 10 17 4 23.5 0.4 .
1 56 ALA 3 13 17 7 41.2 1.5 >sigma
1 57 SER 4 9 15 7 46.7 1.8 >sigma
1 58 GLY 3 6 7 4 57.1 2.5 >sigma
1 59 VAL 5 16 29 7 24.1 0.4 .
1 60 GLN 7 10 15 7 46.7 1.8 >sigma
1 61 THR 4 11 11 7 63.6 2.9 >sigma
1 62 GLY 3 6 15 5 33.3 1.0 .
1 63 LEU 7 14 24 7 29.2 0.7 .
1 64 PHE 7 7 14 7 50.0 2.0 >sigma
1 65 ALA 3 8 15 5 33.3 1.0 .
1 66 ARG 7 8 23 4 17.4 -0.0 .
1 67 LEU 7 6 17 3 17.6 0.0 .
1 68 THR 4 10 11 4 36.4 1.2 >sigma
1 69 TRP 10 10 28 5 17.9 0.0 .
1 70 TRP 10 13 23 3 13.0 -0.3 .
1 71 GLU 5 6 12 4 33.3 1.0 .
1 72 TYR 6 6 33 4 12.1 -0.3 .
1 73 SER 4 9 14 5 35.7 1.1 >sigma
1 74 TRP 10 11 42 4 9.5 -0.5 .
1 75 ASP 4 10 16 7 43.8 1.6 >sigma
1 76 ILE 6 22 37 11 29.7 0.8 .
1 77 VAL 5 19 26 7 26.9 0.6 .
1 78 GLU 5 10 19 5 26.3 0.5 .
1 79 PRO 5 7 21 2 9.5 -0.5 .
1 80 VAL 5 5 31 4 12.9 -0.3 .
1 81 THR 4 8 29 5 17.2 -0.0 .
1 82 TYR 6 4 33 3 9.1 -0.5 .
1 83 PHE 7 5 38 4 10.5 -0.4 .
1 84 ALA 3 1 16 0 0.0 -1.1 >sigma
1 85 THR 4 4 22 2 9.1 -0.5 .
1 86 TYR 6 2 37 1 2.7 -0.9 .
1 87 SER 4 5 18 3 16.7 -0.1 .
1 88 THR 4 5 21 4 19.0 0.1 .
1 89 VAL 5 9 27 6 22.2 0.3 .
1 90 ALA 3 5 23 5 21.7 0.3 .
1 91 ALA 3 8 19 5 26.3 0.5 .
1 92 THR 4 5 18 4 22.2 0.3 .
1 93 PHE 7 13 26 6 23.1 0.3 .
1 94 GLY 3 10 14 8 57.1 2.5 >sigma
1 95 TYR 6 3 23 1 4.3 -0.8 .
1 96 TYR 6 4 33 3 9.1 -0.5 .
1 97 LEU 7 13 32 7 21.9 0.3 .
1 98 TYR 6 3 25 0 0.0 -1.1 >sigma
1 99 THR 4 2 33 2 6.1 -0.7 .
1 100 GLN 7 6 15 2 13.3 -0.3 .
1 101 GLN 7 5 20 3 15.0 -0.2 .
1 102 SER 4 4 19 4 21.1 0.2 .
1 103 PHE 7 6 12 5 41.7 1.5 >sigma
1 104 GLU 5 5 13 5 38.5 1.3 >sigma
1 105 TYR 6 2 21 2 9.5 -0.5 .
1 106 PRO 5 1 15 0 0.0 -1.1 >sigma
1 107 SER 4 1 8 0 0.0 -1.1 >sigma
1 108 ALA 3 1 6 1 16.7 -0.1 .
1 109 ARG 7 1 7 1 14.3 -0.2 .
1 110 GLU 5 0 8 0 0.0 -1.1 >sigma
1 111 ARG 7 0 9 0 0.0 -1.1 >sigma
1 112 VAL 5 0 9 0 0.0 -1.1 >sigma
1 113 TYR 6 0 9 0 0.0 -1.1 >sigma
1 114 THR 4 0 8 0 0.0 -1.1 >sigma
1 115 LYS 7 0 9 0 0.0 -1.1 >sigma
1 116 GLN 7 0 8 0 0.0 -1.1 >sigma
1 117 PHE 7 0 10 0 0.0 -1.1 >sigma
1 118 TYR 6 0 8 0 0.0 -1.1 >sigma
1 119 ARG 7 0 5 0 0.0 -1.1 >sigma
1 120 ARG 7 0 8 0 0.0 -1.1 >sigma
1 121 ALA 3 0 10 0 0.0 -1.1 >sigma
1 122 GLN 7 0 9 0 0.0 -1.1 >sigma
1 123 LYS 7 0 10 0 0.0 -1.1 >sigma
1 124 GLN 7 2 25 1 4.0 -0.8 .
1 125 ASN 6 4 19 2 10.5 -0.4 .
1 126 PHE 7 3 31 2 6.5 -0.7 .
1 127 ASP 4 2 19 2 10.5 -0.4 .
1 128 ILE 6 14 32 7 21.9 0.3 .
1 129 GLU 5 8 27 6 22.2 0.3 .
1 130 LYS 7 10 32 7 21.9 0.3 .
1 131 TYR 6 11 30 7 23.3 0.4 .
1 132 ASN 6 10 35 6 17.1 -0.0 .
1 133 ARG 7 8 27 5 18.5 0.1 .
1 134 LEU 7 7 35 4 11.4 -0.4 .
1 135 VAL 5 19 35 11 31.4 0.9 .
1 136 THR 4 11 26 6 23.1 0.3 .
1 137 GLU 5 4 31 3 9.7 -0.5 .
1 138 VAL 5 10 40 7 17.5 -0.0 .
1 139 ASP 4 6 22 4 18.2 0.0 .
1 140 GLU 5 8 27 6 22.2 0.3 .
1 141 LEU 7 8 53 7 13.2 -0.3 .
1 142 ARG 7 11 64 7 10.9 -0.4 .
1 143 ASN 6 11 24 7 29.2 0.7 .
1 144 GLN 7 7 38 3 7.9 -0.6 .
1 145 LEU 7 8 55 6 10.9 -0.4 .
1 146 LYS 7 8 51 5 9.8 -0.5 .
1 147 ARG 7 7 22 2 9.1 -0.5 .
1 148 LEU 7 7 49 1 2.0 -1.0 .
1 149 ARG 7 7 48 4 8.3 -0.6 .
1 150 ASP 4 4 9 3 33.3 1.0 .
1 151 PRO 5 5 28 3 10.7 -0.4 .
1 152 LEU 7 8 28 6 21.4 0.2 .
1 153 GLU 5 4 17 2 11.8 -0.4 .
2 1 MET 6 0 4 0 0.0 -1.1 >sigma
2 2 ALA 3 0 8 0 0.0 -1.1 >sigma
2 3 ALA 3 0 7 0 0.0 -1.1 >sigma
2 4 LEU 7 0 7 0 0.0 -1.1 >sigma
2 5 SER 4 0 8 0 0.0 -1.1 >sigma
2 6 VAL 5 0 9 0 0.0 -1.1 >sigma
2 7 ASP 4 0 8 0 0.0 -1.1 >sigma
2 8 GLU 5 0 7 0 0.0 -1.1 >sigma
2 9 TYR 6 0 11 0 0.0 -1.1 >sigma
2 10 LYS 7 0 9 0 0.0 -1.1 >sigma
2 11 LEU 7 0 9 0 0.0 -1.1 >sigma
2 12 SER 4 5 14 2 14.3 -0.2 .
2 13 ARG 7 4 8 2 25.0 0.5 .
2 14 GLU 5 3 16 3 18.8 0.1 .
2 15 LYS 7 3 18 2 11.1 -0.4 .
2 16 LYS 7 3 30 3 10.0 -0.5 .
2 17 LEU 7 0 17 0 0.0 -1.1 >sigma
2 18 LEU 7 4 23 1 4.3 -0.8 .
2 19 LEU 7 9 42 3 7.1 -0.7 .
2 20 GLN 7 6 18 3 16.7 -0.1 .
2 21 LEU 7 8 16 5 31.3 0.9 .
2 22 GLU 5 7 17 4 23.5 0.4 .
2 23 ASN 6 8 17 4 23.5 0.4 .
2 24 ALA 3 11 13 5 38.5 1.3 >sigma
2 25 GLU 5 11 12 7 58.3 2.6 >sigma
2 26 THR 4 11 29 7 24.1 0.4 .
2 27 LEU 7 8 19 4 21.1 0.2 .
2 28 LEU 7 8 30 4 13.3 -0.3 .
2 29 ALA 3 10 13 4 30.8 0.8 .
2 30 PRO 5 5 14 1 7.1 -0.7 .
2 31 LEU 7 3 21 1 4.8 -0.8 .
2 32 HIS 6 11 19 6 31.6 0.9 .
2 33 ASP 4 10 14 6 42.9 1.6 >sigma
2 34 ALA 3 8 14 7 50.0 2.0 >sigma
2 35 LYS 7 5 31 5 16.1 -0.1 .
2 36 ARG 7 2 20 1 5.0 -0.8 .
2 37 LYS 7 1 15 1 6.7 -0.7 .
2 38 ILE 6 1 26 0 0.0 -1.1 >sigma
2 39 GLU 5 0 13 0 0.0 -1.1 >sigma
2 40 GLN 7 0 11 0 0.0 -1.1 >sigma
2 41 GLU 5 0 15 0 0.0 -1.1 >sigma
2 42 ALA 3 1 13 0 0.0 -1.1 >sigma
2 43 GLU 5 1 13 1 7.7 -0.6 .
2 44 ALA 3 2 12 0 0.0 -1.1 >sigma
2 45 HIS 6 1 17 0 0.0 -1.1 >sigma
2 46 THR 4 4 20 4 20.0 0.2 .
2 47 ASP 4 6 11 6 54.5 2.3 >sigma
2 48 ARG 7 9 20 7 35.0 1.1 >sigma
2 49 VAL 5 17 25 8 32.0 0.9 .
2 50 ALA 3 10 17 8 47.1 1.8 >sigma
2 51 TRP 10 12 24 7 29.2 0.7 .
2 52 ALA 3 11 25 7 28.0 0.7 .
2 53 GLY 3 9 13 5 38.5 1.3 >sigma
2 54 PHE 7 7 15 5 33.3 1.0 .
2 55 ALA 3 10 16 4 25.0 0.5 .
2 56 ALA 3 13 19 7 36.8 1.2 >sigma
2 57 SER 4 9 13 7 53.8 2.3 >sigma
2 58 GLY 3 6 10 4 40.0 1.4 >sigma
2 59 VAL 5 16 34 9 26.5 0.6 .
2 60 GLN 7 10 17 8 47.1 1.8 >sigma
2 61 THR 4 11 10 7 70.0 3.3 >sigma
2 62 GLY 3 6 15 5 33.3 1.0 .
2 63 LEU 7 14 25 9 36.0 1.2 >sigma
2 64 PHE 7 7 17 6 35.3 1.1 >sigma
2 65 ALA 3 8 17 5 29.4 0.7 .
2 66 ARG 7 8 35 3 8.6 -0.6 .
2 67 LEU 7 6 19 4 21.1 0.2 .
2 68 THR 4 10 13 5 38.5 1.3 >sigma
2 69 TRP 10 10 26 6 23.1 0.3 .
2 70 TRP 10 13 23 4 17.4 -0.0 .
2 71 GLU 5 6 8 4 50.0 2.0 >sigma
2 72 TYR 6 6 27 5 18.5 0.1 .
2 73 SER 4 9 13 4 30.8 0.8 .
2 74 TRP 10 11 45 4 8.9 -0.5 .
2 75 ASP 4 10 19 6 31.6 0.9 .
2 76 ILE 6 22 42 11 26.2 0.5 .
2 77 VAL 5 19 37 8 21.6 0.3 .
2 78 GLU 5 10 17 4 23.5 0.4 .
2 79 PRO 5 7 25 3 12.0 -0.3 .
2 80 VAL 5 5 31 4 12.9 -0.3 .
2 81 THR 4 8 27 4 14.8 -0.2 .
2 82 TYR 6 4 31 3 9.7 -0.5 .
2 83 PHE 7 5 38 4 10.5 -0.4 .
2 84 ALA 3 1 18 0 0.0 -1.1 >sigma
2 85 THR 4 4 21 1 4.8 -0.8 .
2 86 TYR 6 2 39 2 5.1 -0.8 .
2 87 SER 4 5 18 3 16.7 -0.1 .
2 88 THR 4 5 22 4 18.2 0.0 .
2 89 VAL 5 9 29 6 20.7 0.2 .
2 90 ALA 3 5 23 5 21.7 0.3 .
2 91 ALA 3 8 17 4 23.5 0.4 .
2 92 THR 4 5 18 4 22.2 0.3 .
2 93 PHE 7 13 25 7 28.0 0.7 .
2 94 GLY 3 10 14 9 64.3 2.9 >sigma
2 95 TYR 6 3 23 1 4.3 -0.8 .
2 96 TYR 6 4 29 3 10.3 -0.5 .
2 97 LEU 7 13 31 7 22.6 0.3 .
2 98 TYR 6 3 16 0 0.0 -1.1 >sigma
2 99 THR 4 2 31 2 6.5 -0.7 .
2 100 GLN 7 6 20 2 10.0 -0.5 .
2 101 GLN 7 5 22 3 13.6 -0.2 .
2 102 SER 4 4 20 4 20.0 0.2 .
2 103 PHE 7 6 13 4 30.8 0.8 .
2 104 GLU 5 5 13 4 30.8 0.8 .
2 105 TYR 6 2 14 2 14.3 -0.2 .
2 106 PRO 5 1 14 1 7.1 -0.7 .
2 107 SER 4 1 8 1 12.5 -0.3 .
2 108 ALA 3 1 8 1 12.5 -0.3 .
2 109 ARG 7 1 7 1 14.3 -0.2 .
2 110 GLU 5 0 9 0 0.0 -1.1 >sigma
2 111 ARG 7 0 10 0 0.0 -1.1 >sigma
2 112 VAL 5 0 12 0 0.0 -1.1 >sigma
2 113 TYR 6 0 11 0 0.0 -1.1 >sigma
2 114 THR 4 0 10 0 0.0 -1.1 >sigma
2 115 LYS 7 0 8 0 0.0 -1.1 >sigma
2 116 GLN 7 0 10 0 0.0 -1.1 >sigma
2 117 PHE 7 0 11 0 0.0 -1.1 >sigma
2 118 TYR 6 0 9 0 0.0 -1.1 >sigma
2 119 ARG 7 0 9 0 0.0 -1.1 >sigma
2 120 ARG 7 0 9 0 0.0 -1.1 >sigma
2 121 ALA 3 0 9 0 0.0 -1.1 >sigma
2 122 GLN 7 0 10 0 0.0 -1.1 >sigma
2 123 LYS 7 0 16 0 0.0 -1.1 >sigma
2 124 GLN 7 2 28 2 7.1 -0.7 .
2 125 ASN 6 4 27 2 7.4 -0.6 .
2 126 PHE 7 3 24 0 0.0 -1.1 >sigma
2 127 ASP 4 2 17 1 5.9 -0.7 .
2 128 ILE 6 14 27 7 25.9 0.5 .
2 129 GLU 5 8 30 6 20.0 0.2 .
2 130 LYS 7 10 34 7 20.6 0.2 .
2 131 TYR 6 11 29 7 24.1 0.4 .
2 132 ASN 6 10 42 5 11.9 -0.4 .
2 133 ARG 7 8 38 5 13.2 -0.3 .
2 134 LEU 7 7 30 3 10.0 -0.5 .
2 135 VAL 5 19 37 11 29.7 0.8 .
2 136 THR 4 11 25 7 28.0 0.7 .
2 137 GLU 5 4 24 4 16.7 -0.1 .
2 138 VAL 5 10 42 8 19.0 0.1 .
2 139 ASP 4 6 19 4 21.1 0.2 .
2 140 GLU 5 8 23 6 26.1 0.5 .
2 141 LEU 7 8 44 7 15.9 -0.1 .
2 142 ARG 7 11 69 7 10.1 -0.5 .
2 143 ASN 6 11 23 7 30.4 0.8 .
2 144 GLN 7 7 31 3 9.7 -0.5 .
2 145 LEU 7 8 53 6 11.3 -0.4 .
2 146 LYS 7 8 49 5 10.2 -0.5 .
2 147 ARG 7 7 26 2 7.7 -0.6 .
2 148 LEU 7 7 49 1 2.0 -1.0 .
2 149 ARG 7 7 39 3 7.7 -0.6 .
2 150 ASP 4 4 11 3 27.3 0.6 .
2 151 PRO 5 5 23 2 8.7 -0.6 .
2 152 LEU 7 8 31 4 12.9 -0.3 .
2 153 GLU 5 4 8 1 12.5 -0.3 .
3 1 MET 6 0 3 0 0.0 -1.1 >sigma
3 2 ALA 3 0 7 0 0.0 -1.1 >sigma
3 3 ALA 3 0 7 0 0.0 -1.1 >sigma
3 4 LEU 7 0 9 0 0.0 -1.1 >sigma
3 5 SER 4 0 10 0 0.0 -1.1 >sigma
3 6 VAL 5 0 9 0 0.0 -1.1 >sigma
3 7 ASP 4 0 8 0 0.0 -1.1 >sigma
3 8 GLU 5 0 7 0 0.0 -1.1 >sigma
3 9 TYR 6 0 7 0 0.0 -1.1 >sigma
3 10 LYS 7 0 8 0 0.0 -1.1 >sigma
3 11 LEU 7 0 9 0 0.0 -1.1 >sigma
3 12 SER 4 5 9 2 22.2 0.3 .
3 13 ARG 7 4 7 3 42.9 1.6 >sigma
3 14 GLU 5 3 11 2 18.2 0.0 .
3 15 LYS 7 3 16 2 12.5 -0.3 .
3 16 LYS 7 3 21 2 9.5 -0.5 .
3 17 LEU 7 0 18 0 0.0 -1.1 >sigma
3 18 LEU 7 4 19 1 5.3 -0.8 .
3 19 LEU 7 9 47 2 4.3 -0.8 .
3 20 GLN 7 6 18 3 16.7 -0.1 .
3 21 LEU 7 8 15 5 33.3 1.0 .
3 22 GLU 5 7 18 4 22.2 0.3 .
3 23 ASN 6 8 15 4 26.7 0.6 .
3 24 ALA 3 11 15 5 33.3 1.0 .
3 25 GLU 5 11 14 7 50.0 2.0 >sigma
3 26 THR 4 11 27 7 25.9 0.5 .
3 27 LEU 7 8 18 4 22.2 0.3 .
3 28 LEU 7 8 29 4 13.8 -0.2 .
3 29 ALA 3 10 11 4 36.4 1.2 >sigma
3 30 PRO 5 5 12 1 8.3 -0.6 .
3 31 LEU 7 3 19 1 5.3 -0.8 .
3 32 HIS 6 11 16 6 37.5 1.2 >sigma
3 33 ASP 4 10 11 6 54.5 2.3 >sigma
3 34 ALA 3 8 16 7 43.8 1.6 >sigma
3 35 LYS 7 5 40 5 12.5 -0.3 .
3 36 ARG 7 2 14 1 7.1 -0.7 .
3 37 LYS 7 1 15 1 6.7 -0.7 .
3 38 ILE 6 1 20 0 0.0 -1.1 >sigma
3 39 GLU 5 0 12 0 0.0 -1.1 >sigma
3 40 GLN 7 0 12 0 0.0 -1.1 >sigma
3 41 GLU 5 0 11 0 0.0 -1.1 >sigma
3 42 ALA 3 1 15 0 0.0 -1.1 >sigma
3 43 GLU 5 1 12 1 8.3 -0.6 .
3 44 ALA 3 2 16 0 0.0 -1.1 >sigma
3 45 HIS 6 1 19 0 0.0 -1.1 >sigma
3 46 THR 4 4 16 4 25.0 0.5 .
3 47 ASP 4 6 11 6 54.5 2.3 >sigma
3 48 ARG 7 9 19 7 36.8 1.2 >sigma
3 49 VAL 5 17 23 8 34.8 1.1 >sigma
3 50 ALA 3 10 18 8 44.4 1.7 >sigma
3 51 TRP 10 12 22 8 36.4 1.2 >sigma
3 52 ALA 3 11 20 7 35.0 1.1 >sigma
3 53 GLY 3 9 12 7 58.3 2.6 >sigma
3 54 PHE 7 7 12 4 33.3 1.0 .
3 55 ALA 3 10 16 4 25.0 0.5 .
3 56 ALA 3 13 15 8 53.3 2.2 >sigma
3 57 SER 4 9 11 7 63.6 2.9 >sigma
3 58 GLY 3 6 8 4 50.0 2.0 >sigma
3 59 VAL 5 16 36 9 25.0 0.5 .
3 60 GLN 7 10 14 7 50.0 2.0 >sigma
3 61 THR 4 11 11 7 63.6 2.9 >sigma
3 62 GLY 3 6 14 5 35.7 1.1 >sigma
3 63 LEU 7 14 27 7 25.9 0.5 .
3 64 PHE 7 7 14 7 50.0 2.0 >sigma
3 65 ALA 3 8 16 5 31.3 0.9 .
3 66 ARG 7 8 22 4 18.2 0.0 .
3 67 LEU 7 6 15 4 26.7 0.6 .
3 68 THR 4 10 16 5 31.3 0.9 .
3 69 TRP 10 10 45 8 17.8 0.0 .
3 70 TRP 10 13 20 3 15.0 -0.2 .
3 71 GLU 5 6 10 3 30.0 0.8 .
3 72 TYR 6 6 31 4 12.9 -0.3 .
3 73 SER 4 9 18 5 27.8 0.6 .
3 74 TRP 10 11 44 5 11.4 -0.4 .
3 75 ASP 4 10 19 7 36.8 1.2 >sigma
3 76 ILE 6 22 44 13 29.5 0.8 .
3 77 VAL 5 20 28 9 32.1 0.9 .
3 78 GLU 5 11 21 6 28.6 0.7 .
3 79 PRO 5 7 22 2 9.1 -0.5 .
3 80 VAL 5 5 33 5 15.2 -0.2 .
3 81 THR 4 8 31 5 16.1 -0.1 .
3 82 TYR 6 4 35 3 8.6 -0.6 .
3 83 PHE 7 5 35 4 11.4 -0.4 .
3 84 ALA 3 1 17 0 0.0 -1.1 >sigma
3 85 THR 4 4 16 1 6.3 -0.7 .
3 86 TYR 6 2 35 1 2.9 -0.9 .
3 87 SER 4 5 18 3 16.7 -0.1 .
3 88 THR 4 5 21 4 19.0 0.1 .
3 89 VAL 5 9 26 7 26.9 0.6 .
3 90 ALA 3 5 21 5 23.8 0.4 .
3 91 ALA 3 8 17 4 23.5 0.4 .
3 92 THR 4 5 20 4 20.0 0.2 .
3 93 PHE 7 13 24 6 25.0 0.5 .
3 94 GLY 3 10 14 8 57.1 2.5 >sigma
3 95 TYR 6 3 27 1 3.7 -0.9 .
3 96 TYR 6 4 24 3 12.5 -0.3 .
3 97 LEU 7 13 25 7 28.0 0.7 .
3 98 TYR 6 3 20 0 0.0 -1.1 >sigma
3 99 THR 4 2 28 2 7.1 -0.7 .
3 100 GLN 7 6 20 2 10.0 -0.5 .
3 101 GLN 7 5 19 3 15.8 -0.1 .
3 102 SER 4 4 18 4 22.2 0.3 .
3 103 PHE 7 6 21 4 19.0 0.1 .
3 104 GLU 5 5 15 4 26.7 0.6 .
3 105 TYR 6 2 15 2 13.3 -0.3 .
3 106 PRO 5 1 18 0 0.0 -1.1 >sigma
3 107 SER 4 1 8 0 0.0 -1.1 >sigma
3 108 ALA 3 1 7 1 14.3 -0.2 .
3 109 ARG 7 1 9 1 11.1 -0.4 .
3 110 GLU 5 0 10 0 0.0 -1.1 >sigma
3 111 ARG 7 0 11 0 0.0 -1.1 >sigma
3 112 VAL 5 0 11 0 0.0 -1.1 >sigma
3 113 TYR 6 0 8 0 0.0 -1.1 >sigma
3 114 THR 4 0 6 0 0.0 -1.1 >sigma
3 115 LYS 7 0 7 0 0.0 -1.1 >sigma
3 116 GLN 7 0 7 0 0.0 -1.1 >sigma
3 117 PHE 7 0 7 0 0.0 -1.1 >sigma
3 118 TYR 6 0 8 0 0.0 -1.1 >sigma
3 119 ARG 7 0 8 0 0.0 -1.1 >sigma
3 120 ARG 7 0 14 0 0.0 -1.1 >sigma
3 121 ALA 3 0 17 0 0.0 -1.1 >sigma
3 122 GLN 7 0 16 0 0.0 -1.1 >sigma
3 123 LYS 7 0 23 0 0.0 -1.1 >sigma
3 124 GLN 7 2 17 2 11.8 -0.4 .
3 125 ASN 6 4 21 3 14.3 -0.2 .
3 126 PHE 7 3 26 1 3.8 -0.9 .
3 127 ASP 4 2 19 1 5.3 -0.8 .
3 128 ILE 6 14 26 7 26.9 0.6 .
3 129 GLU 5 8 23 6 26.1 0.5 .
3 130 LYS 7 10 32 7 21.9 0.3 .
3 131 TYR 6 11 29 7 24.1 0.4 .
3 132 ASN 6 10 37 5 13.5 -0.3 .
3 133 ARG 7 8 34 5 14.7 -0.2 .
3 134 LEU 7 7 31 4 12.9 -0.3 .
3 135 VAL 5 20 39 13 33.3 1.0 .
3 136 THR 4 11 28 7 25.0 0.5 .
3 137 GLU 5 4 20 3 15.0 -0.2 .
3 138 VAL 5 10 42 7 16.7 -0.1 .
3 139 ASP 4 6 20 4 20.0 0.2 .
3 140 GLU 5 8 21 6 28.6 0.7 .
3 141 LEU 7 8 53 7 13.2 -0.3 .
3 142 ARG 7 11 58 7 12.1 -0.3 .
3 143 ASN 6 11 17 7 41.2 1.5 >sigma
3 144 GLN 7 7 35 3 8.6 -0.6 .
3 145 LEU 7 8 48 6 12.5 -0.3 .
3 146 LYS 7 8 45 5 11.1 -0.4 .
3 147 ARG 7 7 26 2 7.7 -0.6 .
3 148 LEU 7 7 53 1 1.9 -1.0 .
3 149 ARG 7 7 39 3 7.7 -0.6 .
3 150 ASP 4 4 9 3 33.3 1.0 .
3 151 PRO 5 5 15 2 13.3 -0.3 .
3 152 LEU 7 8 45 4 8.9 -0.5 .
3 153 GLU 5 4 7 1 14.3 -0.2 .
4 1 MET 6 0 3 0 0.0 -1.1 >sigma
4 2 ALA 3 0 6 0 0.0 -1.1 >sigma
4 3 ALA 3 0 8 0 0.0 -1.1 >sigma
4 4 LEU 7 0 9 0 0.0 -1.1 >sigma
4 5 SER 4 0 8 0 0.0 -1.1 >sigma
4 6 VAL 5 0 9 0 0.0 -1.1 >sigma
4 7 ASP 4 0 8 0 0.0 -1.1 >sigma
4 8 GLU 5 0 9 0 0.0 -1.1 >sigma
4 9 TYR 6 0 9 0 0.0 -1.1 >sigma
4 10 LYS 7 0 9 0 0.0 -1.1 >sigma
4 11 LEU 7 0 10 0 0.0 -1.1 >sigma
4 12 SER 4 5 7 2 28.6 0.7 .
4 13 ARG 7 4 7 2 28.6 0.7 .
4 14 GLU 5 3 13 3 23.1 0.3 .
4 15 LYS 7 3 21 2 9.5 -0.5 .
4 16 LYS 7 3 25 3 12.0 -0.3 .
4 17 LEU 7 0 19 0 0.0 -1.1 >sigma
4 18 LEU 7 4 21 2 9.5 -0.5 .
4 19 LEU 7 9 41 5 12.2 -0.3 .
4 20 GLN 7 6 17 4 23.5 0.4 .
4 21 LEU 7 8 16 5 31.3 0.9 .
4 22 GLU 5 7 14 4 28.6 0.7 .
4 23 ASN 6 8 17 4 23.5 0.4 .
4 24 ALA 3 11 15 5 33.3 1.0 .
4 25 GLU 5 11 10 6 60.0 2.7 >sigma
4 26 THR 4 11 27 6 22.2 0.3 .
4 27 LEU 7 8 21 4 19.0 0.1 .
4 28 LEU 7 8 22 4 18.2 0.0 .
4 29 ALA 3 10 12 5 41.7 1.5 >sigma
4 30 PRO 5 5 16 2 12.5 -0.3 .
4 31 LEU 7 3 25 1 4.0 -0.8 .
4 32 HIS 6 11 15 6 40.0 1.4 >sigma
4 33 ASP 4 10 13 6 46.2 1.8 >sigma
4 34 ALA 3 8 15 7 46.7 1.8 >sigma
4 35 LYS 7 5 18 5 27.8 0.6 .
4 36 ARG 7 2 17 1 5.9 -0.7 .
4 37 LYS 7 1 11 1 9.1 -0.5 .
4 38 ILE 6 1 16 0 0.0 -1.1 >sigma
4 39 GLU 5 0 10 0 0.0 -1.1 >sigma
4 40 GLN 7 0 11 0 0.0 -1.1 >sigma
4 41 GLU 5 0 12 0 0.0 -1.1 >sigma
4 42 ALA 3 1 11 0 0.0 -1.1 >sigma
4 43 GLU 5 1 12 1 8.3 -0.6 .
4 44 ALA 3 2 12 0 0.0 -1.1 >sigma
4 45 HIS 6 1 19 0 0.0 -1.1 >sigma
4 46 THR 4 4 17 4 23.5 0.4 .
4 47 ASP 4 6 12 6 50.0 2.0 >sigma
4 48 ARG 7 9 20 7 35.0 1.1 >sigma
4 49 VAL 5 17 23 8 34.8 1.1 >sigma
4 50 ALA 3 10 16 8 50.0 2.0 >sigma
4 51 TRP 10 12 21 8 38.1 1.3 >sigma
4 52 ALA 3 11 21 7 33.3 1.0 .
4 53 GLY 3 9 11 7 63.6 2.9 >sigma
4 54 PHE 7 7 12 4 33.3 1.0 .
4 55 ALA 3 10 16 4 25.0 0.5 .
4 56 ALA 3 13 14 7 50.0 2.0 >sigma
4 57 SER 4 9 12 7 58.3 2.6 >sigma
4 58 GLY 3 6 7 4 57.1 2.5 >sigma
4 59 VAL 5 16 32 7 21.9 0.3 .
4 60 GLN 7 10 14 7 50.0 2.0 >sigma
4 61 THR 4 11 11 7 63.6 2.9 >sigma
4 62 GLY 3 6 12 5 41.7 1.5 >sigma
4 63 LEU 7 14 24 8 33.3 1.0 .
4 64 PHE 7 7 18 7 38.9 1.3 >sigma
4 65 ALA 3 8 17 5 29.4 0.7 .
4 66 ARG 7 8 36 4 11.1 -0.4 .
4 67 LEU 7 6 18 3 16.7 -0.1 .
4 68 THR 4 10 13 5 38.5 1.3 >sigma
4 69 TRP 10 10 29 6 20.7 0.2 .
4 70 TRP 10 13 25 3 12.0 -0.3 .
4 71 GLU 5 6 10 4 40.0 1.4 >sigma
4 72 TYR 6 6 31 5 16.1 -0.1 .
4 73 SER 4 9 17 5 29.4 0.7 .
4 74 TRP 10 11 50 4 8.0 -0.6 .
4 75 ASP 4 10 14 6 42.9 1.6 >sigma
4 76 ILE 6 22 48 12 25.0 0.5 .
4 77 VAL 5 19 31 6 19.4 0.1 .
4 78 GLU 5 10 17 4 23.5 0.4 .
4 79 PRO 5 7 26 3 11.5 -0.4 .
4 80 VAL 5 5 32 4 12.5 -0.3 .
4 81 THR 4 8 28 5 17.9 0.0 .
4 82 TYR 6 4 34 3 8.8 -0.5 .
4 83 PHE 7 5 42 4 9.5 -0.5 .
4 84 ALA 3 1 18 0 0.0 -1.1 >sigma
4 85 THR 4 4 20 1 5.0 -0.8 .
4 86 TYR 6 2 26 1 3.8 -0.9 .
4 87 SER 4 5 17 3 17.6 0.0 .
4 88 THR 4 5 23 4 17.4 -0.0 .
4 89 VAL 5 9 23 7 30.4 0.8 .
4 90 ALA 3 5 22 5 22.7 0.3 .
4 91 ALA 3 8 15 4 26.7 0.6 .
4 92 THR 4 5 16 4 25.0 0.5 .
4 93 PHE 7 13 25 6 24.0 0.4 .
4 94 GLY 3 10 14 8 57.1 2.5 >sigma
4 95 TYR 6 3 21 1 4.8 -0.8 .
4 96 TYR 6 4 30 3 10.0 -0.5 .
4 97 LEU 7 13 33 7 21.2 0.2 .
4 98 TYR 6 3 20 0 0.0 -1.1 >sigma
4 99 THR 4 2 22 2 9.1 -0.5 .
4 100 GLN 7 6 22 2 9.1 -0.5 .
4 101 GLN 7 5 18 3 16.7 -0.1 .
4 102 SER 4 4 14 4 28.6 0.7 .
4 103 PHE 7 6 17 5 29.4 0.7 .
4 104 GLU 5 5 15 5 33.3 1.0 .
4 105 TYR 6 2 12 2 16.7 -0.1 .
4 106 PRO 5 1 13 0 0.0 -1.1 >sigma
4 107 SER 4 1 8 0 0.0 -1.1 >sigma
4 108 ALA 3 1 7 1 14.3 -0.2 .
4 109 ARG 7 1 9 1 11.1 -0.4 .
4 110 GLU 5 0 9 0 0.0 -1.1 >sigma
4 111 ARG 7 0 9 0 0.0 -1.1 >sigma
4 112 VAL 5 0 9 0 0.0 -1.1 >sigma
4 113 TYR 6 0 9 0 0.0 -1.1 >sigma
4 114 THR 4 0 8 0 0.0 -1.1 >sigma
4 115 LYS 7 0 7 0 0.0 -1.1 >sigma
4 116 GLN 7 0 10 0 0.0 -1.1 >sigma
4 117 PHE 7 0 10 0 0.0 -1.1 >sigma
4 118 TYR 6 0 8 0 0.0 -1.1 >sigma
4 119 ARG 7 0 12 0 0.0 -1.1 >sigma
4 120 ARG 7 0 10 0 0.0 -1.1 >sigma
4 121 ALA 3 0 10 0 0.0 -1.1 >sigma
4 122 GLN 7 0 6 0 0.0 -1.1 >sigma
4 123 LYS 7 0 14 0 0.0 -1.1 >sigma
4 124 GLN 7 2 18 2 11.1 -0.4 .
4 125 ASN 6 4 14 3 21.4 0.2 .
4 126 PHE 7 3 21 1 4.8 -0.8 .
4 127 ASP 4 2 17 1 5.9 -0.7 .
4 128 ILE 6 14 29 7 24.1 0.4 .
4 129 GLU 5 8 21 6 28.6 0.7 .
4 130 LYS 7 10 30 7 23.3 0.4 .
4 131 TYR 6 11 32 7 21.9 0.3 .
4 132 ASN 6 10 37 5 13.5 -0.3 .
4 133 ARG 7 8 32 5 15.6 -0.1 .
4 134 LEU 7 7 33 4 12.1 -0.3 .
4 135 VAL 5 21 35 12 34.3 1.0 >sigma
4 136 THR 4 11 28 7 25.0 0.5 .
4 137 GLU 5 4 27 4 14.8 -0.2 .
4 138 VAL 5 10 35 6 17.1 -0.0 .
4 139 ASP 4 6 17 4 23.5 0.4 .
4 140 GLU 5 8 21 6 28.6 0.7 .
4 141 LEU 7 8 45 6 13.3 -0.3 .
4 142 ARG 7 11 54 6 11.1 -0.4 .
4 143 ASN 6 11 15 6 40.0 1.4 >sigma
4 144 GLN 7 7 38 3 7.9 -0.6 .
4 145 LEU 7 8 56 5 8.9 -0.5 .
4 146 LYS 7 8 49 3 6.1 -0.7 .
4 147 ARG 7 7 29 2 6.9 -0.7 .
4 148 LEU 7 7 43 1 2.3 -1.0 .
4 149 ARG 7 7 53 3 5.7 -0.7 .
4 150 ASP 4 4 9 3 33.3 1.0 .
4 151 PRO 5 5 27 2 7.4 -0.6 .
4 152 LEU 7 8 33 6 18.2 0.0 .
4 153 GLU 5 4 6 3 50.0 2.0 >sigma
5 1 MET 6 0 4 0 0.0 -1.1 >sigma
5 2 ALA 3 0 8 0 0.0 -1.1 >sigma
5 3 ALA 3 0 7 0 0.0 -1.1 >sigma
5 4 LEU 7 0 8 0 0.0 -1.1 >sigma
5 5 SER 4 0 9 0 0.0 -1.1 >sigma
5 6 VAL 5 0 9 0 0.0 -1.1 >sigma
5 7 ASP 4 0 9 0 0.0 -1.1 >sigma
5 8 GLU 5 0 10 0 0.0 -1.1 >sigma
5 9 TYR 6 0 9 0 0.0 -1.1 >sigma
5 10 LYS 7 0 8 0 0.0 -1.1 >sigma
5 11 LEU 7 0 10 0 0.0 -1.1 >sigma
5 12 SER 4 5 11 3 27.3 0.6 .
5 13 ARG 7 4 12 3 25.0 0.5 .
5 14 GLU 5 3 12 3 25.0 0.5 .
5 15 LYS 7 3 15 2 13.3 -0.3 .
5 16 LYS 7 3 24 2 8.3 -0.6 .
5 17 LEU 7 0 17 0 0.0 -1.1 >sigma
5 18 LEU 7 4 22 1 4.5 -0.8 .
5 19 LEU 7 9 36 2 5.6 -0.8 .
5 20 GLN 7 6 23 3 13.0 -0.3 .
5 21 LEU 7 8 16 5 31.3 0.9 .
5 22 GLU 5 7 18 4 22.2 0.3 .
5 23 ASN 6 8 19 4 21.1 0.2 .
5 24 ALA 3 11 14 5 35.7 1.1 >sigma
5 25 GLU 5 11 12 7 58.3 2.6 >sigma
5 26 THR 4 11 29 7 24.1 0.4 .
5 27 LEU 7 8 19 4 21.1 0.2 .
5 28 LEU 7 8 24 4 16.7 -0.1 .
5 29 ALA 3 10 10 4 40.0 1.4 >sigma
5 30 PRO 5 5 12 1 8.3 -0.6 .
5 31 LEU 7 3 22 1 4.5 -0.8 .
5 32 HIS 6 11 22 6 27.3 0.6 .
5 33 ASP 4 10 12 6 50.0 2.0 >sigma
5 34 ALA 3 8 14 7 50.0 2.0 >sigma
5 35 LYS 7 5 27 5 18.5 0.1 .
5 36 ARG 7 2 14 1 7.1 -0.7 .
5 37 LYS 7 1 13 1 7.7 -0.6 .
5 38 ILE 6 1 14 0 0.0 -1.1 >sigma
5 39 GLU 5 0 12 0 0.0 -1.1 >sigma
5 40 GLN 7 0 12 0 0.0 -1.1 >sigma
5 41 GLU 5 0 12 0 0.0 -1.1 >sigma
5 42 ALA 3 1 12 0 0.0 -1.1 >sigma
5 43 GLU 5 1 10 1 10.0 -0.5 .
5 44 ALA 3 2 12 0 0.0 -1.1 >sigma
5 45 HIS 6 1 18 0 0.0 -1.1 >sigma
5 46 THR 4 4 14 3 21.4 0.2 .
5 47 ASP 4 6 11 5 45.5 1.7 >sigma
5 48 ARG 7 9 18 7 38.9 1.3 >sigma
5 49 VAL 5 17 21 8 38.1 1.3 >sigma
5 50 ALA 3 10 16 9 56.3 2.4 >sigma
5 51 TRP 10 12 26 7 26.9 0.6 .
5 52 ALA 3 11 21 7 33.3 1.0 .
5 53 GLY 3 9 8 5 62.5 2.8 >sigma
5 54 PHE 7 7 13 5 38.5 1.3 >sigma
5 55 ALA 3 10 16 4 25.0 0.5 .
5 56 ALA 3 13 17 6 35.3 1.1 >sigma
5 57 SER 4 9 13 7 53.8 2.3 >sigma
5 58 GLY 3 6 7 4 57.1 2.5 >sigma
5 59 VAL 5 16 23 7 30.4 0.8 .
5 60 GLN 7 10 16 7 43.8 1.6 >sigma
5 61 THR 4 11 11 7 63.6 2.9 >sigma
5 62 GLY 3 6 11 5 45.5 1.7 >sigma
5 63 LEU 7 14 22 8 36.4 1.2 >sigma
5 64 PHE 7 7 17 7 41.2 1.5 >sigma
5 65 ALA 3 8 18 5 27.8 0.6 .
5 66 ARG 7 8 40 3 7.5 -0.6 .
5 67 LEU 7 6 16 3 18.8 0.1 .
5 68 THR 4 10 14 5 35.7 1.1 >sigma
5 69 TRP 10 10 30 6 20.0 0.2 .
5 70 TRP 10 13 24 3 12.5 -0.3 .
5 71 GLU 5 6 10 4 40.0 1.4 >sigma
5 72 TYR 6 6 32 4 12.5 -0.3 .
5 73 SER 4 9 15 4 26.7 0.6 .
5 74 TRP 10 11 41 4 9.8 -0.5 .
5 75 ASP 4 10 12 6 50.0 2.0 >sigma
5 76 ILE 6 22 46 10 21.7 0.3 .
5 77 VAL 5 19 34 7 20.6 0.2 .
5 78 GLU 5 10 15 4 26.7 0.6 .
5 79 PRO 5 7 23 3 13.0 -0.3 .
5 80 VAL 5 5 31 4 12.9 -0.3 .
5 81 THR 4 8 28 4 14.3 -0.2 .
5 82 TYR 6 4 32 3 9.4 -0.5 .
5 83 PHE 7 5 36 4 11.1 -0.4 .
5 84 ALA 3 1 19 0 0.0 -1.1 >sigma
5 85 THR 4 4 20 1 5.0 -0.8 .
5 86 TYR 6 2 30 1 3.3 -0.9 .
5 87 SER 4 5 19 3 15.8 -0.1 .
5 88 THR 4 5 27 4 14.8 -0.2 .
5 89 VAL 5 9 25 6 24.0 0.4 .
5 90 ALA 3 5 23 5 21.7 0.3 .
5 91 ALA 3 8 13 4 30.8 0.8 .
5 92 THR 4 5 14 4 28.6 0.7 .
5 93 PHE 7 13 21 6 28.6 0.7 .
5 94 GLY 3 10 14 8 57.1 2.5 >sigma
5 95 TYR 6 3 21 1 4.8 -0.8 .
5 96 TYR 6 4 27 3 11.1 -0.4 .
5 97 LEU 7 13 29 7 24.1 0.4 .
5 98 TYR 6 3 22 0 0.0 -1.1 >sigma
5 99 THR 4 2 28 2 7.1 -0.7 .
5 100 GLN 7 6 22 2 9.1 -0.5 .
5 101 GLN 7 5 12 3 25.0 0.5 .
5 102 SER 4 4 13 4 30.8 0.8 .
5 103 PHE 7 6 19 5 26.3 0.5 .
5 104 GLU 5 5 12 5 41.7 1.5 >sigma
5 105 TYR 6 2 13 2 15.4 -0.1 .
5 106 PRO 5 1 15 1 6.7 -0.7 .
5 107 SER 4 1 9 1 11.1 -0.4 .
5 108 ALA 3 1 7 1 14.3 -0.2 .
5 109 ARG 7 1 7 1 14.3 -0.2 .
5 110 GLU 5 0 8 0 0.0 -1.1 >sigma
5 111 ARG 7 0 8 0 0.0 -1.1 >sigma
5 112 VAL 5 0 9 0 0.0 -1.1 >sigma
5 113 TYR 6 0 10 0 0.0 -1.1 >sigma
5 114 THR 4 0 8 0 0.0 -1.1 >sigma
5 115 LYS 7 0 9 0 0.0 -1.1 >sigma
5 116 GLN 7 0 11 0 0.0 -1.1 >sigma
5 117 PHE 7 0 10 0 0.0 -1.1 >sigma
5 118 TYR 6 0 9 0 0.0 -1.1 >sigma
5 119 ARG 7 0 13 0 0.0 -1.1 >sigma
5 120 ARG 7 0 16 0 0.0 -1.1 >sigma
5 121 ALA 3 0 10 0 0.0 -1.1 >sigma
5 122 GLN 7 0 10 0 0.0 -1.1 >sigma
5 123 LYS 7 0 20 0 0.0 -1.1 >sigma
5 124 GLN 7 2 20 1 5.0 -0.8 .
5 125 ASN 6 4 18 1 5.6 -0.8 .
5 126 PHE 7 3 28 0 0.0 -1.1 >sigma
5 127 ASP 4 2 16 1 6.3 -0.7 .
5 128 ILE 6 14 26 7 26.9 0.6 .
5 129 GLU 5 8 22 6 27.3 0.6 .
5 130 LYS 7 10 31 7 22.6 0.3 .
5 131 TYR 6 11 30 7 23.3 0.4 .
5 132 ASN 6 10 32 6 18.8 0.1 .
5 133 ARG 7 8 31 5 16.1 -0.1 .
5 134 LEU 7 7 32 5 15.6 -0.1 .
5 135 VAL 5 20 37 13 35.1 1.1 >sigma
5 136 THR 4 11 29 7 24.1 0.4 .
5 137 GLU 5 4 29 3 10.3 -0.5 .
5 138 VAL 5 10 36 7 19.4 0.1 .
5 139 ASP 4 6 19 4 21.1 0.2 .
5 140 GLU 5 8 20 6 30.0 0.8 .
5 141 LEU 7 8 55 7 12.7 -0.3 .
5 142 ARG 7 11 53 7 13.2 -0.3 .
5 143 ASN 6 11 17 7 41.2 1.5 >sigma
5 144 GLN 7 7 37 3 8.1 -0.6 .
5 145 LEU 7 8 62 6 9.7 -0.5 .
5 146 LYS 7 8 53 4 7.5 -0.6 .
5 147 ARG 7 7 25 2 8.0 -0.6 .
5 148 LEU 7 7 56 1 1.8 -1.0 .
5 149 ARG 7 7 54 4 7.4 -0.6 .
5 150 ASP 4 4 10 3 30.0 0.8 .
5 151 PRO 5 5 23 2 8.7 -0.6 .
5 152 LEU 7 8 25 6 24.0 0.4 .
5 153 GLU 5 4 9 3 33.3 1.0 .
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