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 |
|
|
627658 |
5vto   |
30295 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_5vto
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 15
_NOE_completeness_stats.Residue_count 326
_NOE_completeness_stats.Total_atom_count 5056
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 1756
_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 28.4
_NOE_completeness_stats.Constraint_unexpanded_count 3008
_NOE_completeness_stats.Constraint_count 3028
_NOE_completeness_stats.Constraint_exp_unfiltered_count 6252
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 350
_NOE_completeness_stats.Constraint_intraresidue_count 8
_NOE_completeness_stats.Constraint_surplus_count 0
_NOE_completeness_stats.Constraint_observed_count 2670
_NOE_completeness_stats.Constraint_expected_count 6252
_NOE_completeness_stats.Constraint_matched_count 1777
_NOE_completeness_stats.Constraint_unmatched_count 893
_NOE_completeness_stats.Constraint_exp_nonobs_count 4475
_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 412 1598 354 22.2 -1.3 >sigma
medium-range 746 1546 489 31.6 0.7 .
long-range 1306 2670 806 30.2 0.4 .
intermolecular 206 438 128 29.2 0.2 .
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 2.00 208 91 0 5 8 26 26 16 0 8 . 2 43.8 43.8
shell 2.00 2.50 628 325 0 89 15 48 56 49 16 38 . 14 51.8 49.8
shell 2.50 3.00 1087 410 0 110 19 62 84 36 18 63 . 18 37.7 43.0
shell 3.00 3.50 1661 451 0 2 8 99 112 28 56 119 . 27 27.2 35.6
shell 3.50 4.00 2668 500 0 0 0 71 129 36 92 127 . 45 18.7 28.4
shell 4.00 4.50 3844 364 0 0 0 6 63 16 92 135 . 52 9.5 21.2
shell 4.50 5.00 5217 222 0 0 0 0 6 2 54 134 . 26 4.3 15.4
shell 5.00 5.50 6361 221 0 0 0 0 0 0 50 147 . 24 3.5 11.9
shell 5.50 6.00 7178 58 0 0 0 0 0 0 2 44 . 12 0.8 9.2
shell 6.00 6.50 8026 20 0 0 0 0 0 2 0 10 . 8 0.2 7.2
shell 6.50 7.00 9200 4 0 0 0 0 0 0 2 0 . 2 0.0 5.8
shell 7.00 7.50 10291 2 0 0 0 0 0 0 0 2 . 0 0.0 4.7
shell 7.50 8.00 11209 2 0 0 0 0 0 0 2 0 . 0 0.0 4.0
shell 8.00 8.50 12253 0 0 0 0 0 0 0 0 0 . 0 0.0 3.3
shell 8.50 9.00 12947 0 0 0 0 0 0 0 0 0 . 0 0.0 2.9
sums . . 92778 2670 0 206 50 312 476 185 384 827 . 230 . .
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 LYS 7 0 4 0 0.0 -1.9 >sigma
1 2 ALA 3 0 8 0 0.0 -1.9 >sigma
1 3 GLY 3 3 9 2 22.2 -0.3 .
1 4 VAL 5 24 55 19 34.5 0.5 .
1 5 ARG 7 7 12 5 41.7 1.0 >sigma
1 6 SER 4 20 36 11 30.6 0.3 .
1 7 VAL 5 52 68 36 52.9 1.8 >sigma
1 8 PHE 7 13 75 10 13.3 -1.0 .
1 9 LEU 7 21 64 14 21.9 -0.4 .
1 10 ALA 3 18 32 13 40.6 1.0 .
1 11 GLY 3 5 18 4 22.2 -0.3 .
1 12 PRO 5 3 43 2 4.7 -1.6 >sigma
1 13 PHE 7 25 63 11 17.5 -0.7 .
1 14 MET 6 12 53 5 9.4 -1.2 >sigma
1 15 GLY 3 3 23 1 4.3 -1.6 >sigma
1 16 LEU 7 22 60 10 16.7 -0.7 .
1 17 VAL 5 26 54 10 18.5 -0.6 .
1 18 ASN 6 10 15 4 26.7 -0.0 .
1 19 PRO 5 10 14 3 21.4 -0.4 .
1 20 GLU 5 10 11 4 36.4 0.7 .
1 21 THR 4 6 16 3 18.8 -0.6 .
1 22 ASN 6 6 16 1 6.3 -1.5 >sigma
1 23 SER 4 4 10 1 10.0 -1.2 >sigma
1 24 MET 6 16 44 7 15.9 -0.8 .
1 25 PRO 5 10 24 9 37.5 0.7 .
1 26 SER 4 6 18 4 22.2 -0.3 .
1 27 ALA 3 5 17 4 23.5 -0.2 .
1 28 GLU 5 13 35 9 25.7 -0.1 .
1 29 GLN 7 8 47 6 12.8 -1.0 .
1 30 LEU 7 10 40 7 17.5 -0.7 .
1 31 PRO 5 9 36 8 22.2 -0.3 .
1 32 PHE 7 28 51 15 29.4 0.2 .
1 33 LEU 7 12 46 9 19.6 -0.5 .
1 34 THR 4 17 29 11 37.9 0.8 .
1 35 LEU 7 34 72 24 33.3 0.4 .
1 36 ILE 6 25 63 18 28.6 0.1 .
1 37 GLU 5 14 24 8 33.3 0.4 .
1 38 HIS 6 17 34 9 26.5 -0.0 .
1 39 PHE 7 57 82 36 43.9 1.2 >sigma
1 40 GLU 5 11 22 8 36.4 0.7 .
1 41 LYS 7 10 23 8 34.8 0.5 .
1 42 GLN 7 14 29 10 34.5 0.5 .
1 43 GLY 3 5 14 3 21.4 -0.4 .
1 44 LEU 7 39 66 21 31.8 0.3 .
1 45 GLU 5 10 24 7 29.2 0.2 .
1 46 VAL 5 30 47 19 40.4 0.9 .
1 47 PHE 7 20 49 9 18.4 -0.6 .
1 48 ASN 6 0 31 0 0.0 -1.9 >sigma
1 49 ALA 3 11 24 4 16.7 -0.7 .
1 50 HIS 6 2 30 1 3.3 -1.7 >sigma
1 51 ARG 7 7 29 5 17.2 -0.7 .
1 52 ARG 7 0 12 0 0.0 -1.9 >sigma
1 53 GLU 5 5 28 3 10.7 -1.1 >sigma
1 54 ALA 3 17 37 7 18.9 -0.6 .
1 55 TRP 10 21 34 12 35.3 0.6 .
1 56 GLY 3 4 9 3 33.3 0.4 .
1 57 ALA 3 4 11 3 27.3 0.0 .
1 58 GLN 7 10 36 6 16.7 -0.7 .
1 59 VAL 5 24 53 10 18.9 -0.6 .
1 60 LEU 7 28 52 13 25.0 -0.1 .
1 61 THR 4 19 17 6 35.3 0.6 .
1 62 PRO 5 3 52 3 5.8 -1.5 >sigma
1 63 GLU 5 11 17 5 29.4 0.2 .
1 64 GLU 5 9 28 3 10.7 -1.1 >sigma
1 65 CYS 4 11 25 8 32.0 0.4 .
1 66 THR 4 25 52 19 36.5 0.7 .
1 67 PRO 5 18 40 14 35.0 0.6 .
1 68 LEU 7 6 22 4 18.2 -0.6 .
1 69 ASP 4 5 26 4 15.4 -0.8 .
1 70 GLN 7 13 43 9 20.9 -0.4 .
1 71 LEU 7 14 38 8 21.1 -0.4 .
1 72 GLU 5 9 44 8 18.2 -0.6 .
1 73 ILE 6 27 80 23 28.8 0.1 .
1 74 ARG 7 14 56 12 21.4 -0.4 .
1 75 LYS 7 14 34 10 29.4 0.2 .
1 76 ALA 3 21 29 12 41.4 1.0 >sigma
1 77 ASP 4 8 19 5 26.3 -0.0 .
1 78 VAL 5 31 57 23 40.4 0.9 .
1 79 PHE 7 31 76 23 30.3 0.2 .
1 80 VAL 5 25 60 21 35.0 0.6 .
1 81 ALA 3 22 39 16 41.0 1.0 .
1 82 ILE 6 33 59 17 28.8 0.1 .
1 83 PRO 5 17 61 13 21.3 -0.4 .
1 84 GLY 3 11 31 6 19.4 -0.5 .
1 85 ILE 6 31 77 21 27.3 0.0 .
1 86 PRO 5 6 14 5 35.7 0.6 .
1 87 PRO 5 5 42 4 9.5 -1.2 >sigma
1 88 SER 4 5 28 3 10.7 -1.1 >sigma
1 89 PRO 5 2 39 1 2.6 -1.7 >sigma
1 90 GLY 3 4 19 4 21.1 -0.4 .
1 91 THR 4 19 42 13 31.0 0.3 .
1 92 HIS 6 19 46 13 28.3 0.1 .
1 93 VAL 5 29 65 17 26.2 -0.1 .
1 94 GLU 5 7 52 6 11.5 -1.1 >sigma
1 95 ILE 6 33 81 24 29.6 0.2 .
1 96 GLY 3 9 34 7 20.6 -0.4 .
1 97 TRP 10 33 94 26 27.7 0.0 .
1 98 ALA 3 26 37 18 48.6 1.5 >sigma
1 99 SER 4 11 35 8 22.9 -0.3 .
1 100 ALA 3 21 31 13 41.9 1.1 >sigma
1 101 PHE 7 24 63 18 28.6 0.1 .
1 102 ASP 4 5 11 2 18.2 -0.6 .
1 103 LYS 7 11 36 7 19.4 -0.5 .
1 104 PRO 5 8 34 4 11.8 -1.1 >sigma
1 105 ILE 6 41 70 32 45.7 1.3 >sigma
1 106 VAL 5 28 66 19 28.8 0.1 .
1 107 LEU 7 36 76 30 39.5 0.9 .
1 108 LEU 7 41 72 29 40.3 0.9 .
1 109 LEU 7 49 72 24 33.3 0.4 .
1 110 GLU 5 17 45 10 22.2 -0.3 .
1 111 GLU 5 18 23 14 60.9 2.4 >sigma
1 112 GLY 3 4 13 3 23.1 -0.3 .
1 113 ARG 7 10 69 8 11.6 -1.1 >sigma
1 114 GLU 5 22 62 15 24.2 -0.2 .
1 115 GLU 5 5 22 3 13.6 -0.9 .
1 116 GLU 5 12 31 11 35.5 0.6 .
1 117 TYR 6 39 73 22 30.1 0.2 .
1 118 GLY 3 1 26 0 0.0 -1.9 >sigma
1 119 PHE 7 23 62 8 12.9 -1.0 .
1 120 LEU 7 23 56 16 28.6 0.1 .
1 121 VAL 5 33 63 22 34.9 0.6 .
1 122 ARG 7 11 44 5 11.4 -1.1 >sigma
1 123 GLY 3 10 36 9 25.0 -0.1 .
1 124 LEU 7 43 89 31 34.8 0.6 .
1 125 GLY 3 12 27 10 37.0 0.7 .
1 126 THR 4 18 27 14 51.9 1.7 >sigma
1 127 VAL 5 31 47 25 53.2 1.8 >sigma
1 128 ALA 3 19 22 10 45.5 1.3 >sigma
1 129 ALA 3 13 19 10 52.6 1.8 >sigma
1 130 VAL 5 39 59 31 52.5 1.8 >sigma
1 131 GLU 5 12 36 10 27.8 0.1 .
1 132 PHE 7 27 52 21 40.4 0.9 .
1 133 VAL 5 36 55 25 45.5 1.3 >sigma
1 134 HIS 6 20 26 15 57.7 2.2 >sigma
1 135 TYR 6 38 47 25 53.2 1.8 >sigma
1 136 LYS 7 10 14 4 28.6 0.1 .
1 137 ASP 4 7 18 4 22.2 -0.3 .
1 138 ILE 6 41 54 27 50.0 1.6 >sigma
1 139 ALA 3 15 21 11 52.4 1.8 >sigma
1 140 LEU 7 12 22 6 27.3 0.0 .
1 141 ALA 3 25 40 21 52.5 1.8 >sigma
1 142 LYS 7 20 56 12 21.4 -0.4 .
1 143 PRO 5 6 26 5 19.2 -0.5 .
1 144 GLN 7 19 26 13 50.0 1.6 >sigma
1 145 ILE 6 39 82 29 35.4 0.6 .
1 146 ASP 4 12 21 9 42.9 1.1 >sigma
1 147 ALA 3 14 16 9 56.3 2.1 >sigma
1 148 ALA 3 14 32 12 37.5 0.7 .
1 149 ILE 6 40 72 32 44.4 1.2 >sigma
1 150 ARG 7 17 25 12 48.0 1.5 >sigma
1 151 LYS 7 11 21 9 42.9 1.1 >sigma
1 152 VAL 5 22 55 16 29.1 0.1 .
1 153 VAL 5 13 44 10 22.7 -0.3 .
1 154 ASP 4 9 16 8 50.0 1.6 >sigma
1 155 ARG 7 11 27 10 37.0 0.7 .
1 156 VAL 5 17 36 12 33.3 0.4 .
1 157 ASN 6 5 17 4 23.5 -0.2 .
1 158 ASN 6 2 10 1 10.0 -1.2 >sigma
1 159 PRO 5 0 9 0 0.0 -1.9 >sigma
1 160 ALA 3 0 9 0 0.0 -1.9 >sigma
1 161 ALA 3 0 7 0 0.0 -1.9 >sigma
1 162 THR 4 0 7 0 0.0 -1.9 >sigma
1 163 PRO 5 0 4 0 0.0 -1.9 >sigma
2 1 LYS 7 0 4 0 0.0 -1.9 >sigma
2 2 ALA 3 0 8 0 0.0 -1.9 >sigma
2 3 GLY 3 3 9 2 22.2 -0.3 .
2 4 VAL 5 24 55 19 34.5 0.5 .
2 5 ARG 7 7 12 5 41.7 1.0 >sigma
2 6 SER 4 20 36 11 30.6 0.3 .
2 7 VAL 5 52 67 36 53.7 1.9 >sigma
2 8 PHE 7 13 76 10 13.2 -1.0 .
2 9 LEU 7 21 64 14 21.9 -0.4 .
2 10 ALA 3 18 32 13 40.6 1.0 .
2 11 GLY 3 5 18 4 22.2 -0.3 .
2 12 PRO 5 3 44 2 4.5 -1.6 >sigma
2 13 PHE 7 25 64 11 17.2 -0.7 .
2 14 MET 6 12 54 5 9.3 -1.2 >sigma
2 15 GLY 3 3 23 1 4.3 -1.6 >sigma
2 16 LEU 7 22 62 10 16.1 -0.8 .
2 17 VAL 5 26 55 10 18.2 -0.6 .
2 18 ASN 6 10 15 4 26.7 -0.0 .
2 19 PRO 5 10 14 3 21.4 -0.4 .
2 20 GLU 5 10 11 4 36.4 0.7 .
2 21 THR 4 6 16 3 18.8 -0.6 .
2 22 ASN 6 6 16 1 6.3 -1.5 >sigma
2 23 SER 4 4 10 1 10.0 -1.2 >sigma
2 24 MET 6 16 45 7 15.6 -0.8 .
2 25 PRO 5 10 26 9 34.6 0.5 .
2 26 SER 4 6 18 4 22.2 -0.3 .
2 27 ALA 3 5 17 4 23.5 -0.2 .
2 28 GLU 5 13 36 9 25.0 -0.1 .
2 29 GLN 7 8 47 6 12.8 -1.0 .
2 30 LEU 7 10 40 7 17.5 -0.7 .
2 31 PRO 5 9 36 8 22.2 -0.3 .
2 32 PHE 7 28 52 15 28.8 0.1 .
2 33 LEU 7 12 48 9 18.8 -0.6 .
2 34 THR 4 17 29 11 37.9 0.8 .
2 35 LEU 7 34 72 24 33.3 0.4 .
2 36 ILE 6 25 64 18 28.1 0.1 .
2 37 GLU 5 14 24 8 33.3 0.4 .
2 38 HIS 6 17 34 9 26.5 -0.0 .
2 39 PHE 7 57 82 36 43.9 1.2 >sigma
2 40 GLU 5 11 22 8 36.4 0.7 .
2 41 LYS 7 10 23 8 34.8 0.5 .
2 42 GLN 7 14 29 10 34.5 0.5 .
2 43 GLY 3 5 14 3 21.4 -0.4 .
2 44 LEU 7 39 66 21 31.8 0.3 .
2 45 GLU 5 10 24 7 29.2 0.2 .
2 46 VAL 5 30 47 19 40.4 0.9 .
2 47 PHE 7 20 49 9 18.4 -0.6 .
2 48 ASN 6 0 31 0 0.0 -1.9 >sigma
2 49 ALA 3 11 24 4 16.7 -0.7 .
2 50 HIS 6 2 30 1 3.3 -1.7 >sigma
2 51 ARG 7 7 29 5 17.2 -0.7 .
2 52 ARG 7 0 12 0 0.0 -1.9 >sigma
2 53 GLU 5 5 29 3 10.3 -1.2 >sigma
2 54 ALA 3 17 37 7 18.9 -0.6 .
2 55 TRP 10 21 34 12 35.3 0.6 .
2 56 GLY 3 4 9 3 33.3 0.4 .
2 57 ALA 3 4 12 3 25.0 -0.1 .
2 58 GLN 7 10 36 6 16.7 -0.7 .
2 59 VAL 5 24 55 10 18.2 -0.6 .
2 60 LEU 7 28 52 13 25.0 -0.1 .
2 61 THR 4 19 17 6 35.3 0.6 .
2 62 PRO 5 3 53 3 5.7 -1.5 >sigma
2 63 GLU 5 11 17 5 29.4 0.2 .
2 64 GLU 5 9 28 3 10.7 -1.1 >sigma
2 65 CYS 4 11 26 8 30.8 0.3 .
2 66 THR 4 25 52 19 36.5 0.7 .
2 67 PRO 5 18 40 14 35.0 0.6 .
2 68 LEU 7 6 22 4 18.2 -0.6 .
2 69 ASP 4 5 26 4 15.4 -0.8 .
2 70 GLN 7 13 45 9 20.0 -0.5 .
2 71 LEU 7 14 39 9 23.1 -0.3 .
2 72 GLU 5 9 45 8 17.8 -0.6 .
2 73 ILE 6 27 80 23 28.8 0.1 .
2 74 ARG 7 14 57 12 21.1 -0.4 .
2 75 LYS 7 14 35 11 31.4 0.3 .
2 76 ALA 3 21 29 12 41.4 1.0 >sigma
2 77 ASP 4 8 19 5 26.3 -0.0 .
2 78 VAL 5 31 57 23 40.4 0.9 .
2 79 PHE 7 31 76 23 30.3 0.2 .
2 80 VAL 5 25 59 21 35.6 0.6 .
2 81 ALA 3 22 39 16 41.0 1.0 .
2 82 ILE 6 33 59 17 28.8 0.1 .
2 83 PRO 5 17 62 13 21.0 -0.4 .
2 84 GLY 3 11 31 6 19.4 -0.5 .
2 85 ILE 6 31 78 22 28.2 0.1 .
2 86 PRO 5 6 14 5 35.7 0.6 .
2 87 PRO 5 5 42 4 9.5 -1.2 >sigma
2 88 SER 4 5 28 3 10.7 -1.1 >sigma
2 89 PRO 5 2 40 1 2.5 -1.7 >sigma
2 90 GLY 3 4 19 4 21.1 -0.4 .
2 91 THR 4 19 43 13 30.2 0.2 .
2 92 HIS 6 19 46 13 28.3 0.1 .
2 93 VAL 5 29 65 17 26.2 -0.1 .
2 94 GLU 5 7 52 6 11.5 -1.1 >sigma
2 95 ILE 6 33 80 24 30.0 0.2 .
2 96 GLY 3 9 34 7 20.6 -0.4 .
2 97 TRP 10 33 95 27 28.4 0.1 .
2 98 ALA 3 26 37 18 48.6 1.5 >sigma
2 99 SER 4 11 36 9 25.0 -0.1 .
2 100 ALA 3 21 31 13 41.9 1.1 >sigma
2 101 PHE 7 24 63 18 28.6 0.1 .
2 102 ASP 4 5 11 2 18.2 -0.6 .
2 103 LYS 7 11 36 7 19.4 -0.5 .
2 104 PRO 5 8 34 4 11.8 -1.1 >sigma
2 105 ILE 6 41 71 33 46.5 1.4 >sigma
2 106 VAL 5 28 65 19 29.2 0.2 .
2 107 LEU 7 36 76 30 39.5 0.9 .
2 108 LEU 7 41 73 29 39.7 0.9 .
2 109 LEU 7 49 72 23 31.9 0.3 .
2 110 GLU 5 17 45 10 22.2 -0.3 .
2 111 GLU 5 18 23 14 60.9 2.4 >sigma
2 112 GLY 3 4 13 3 23.1 -0.3 .
2 113 ARG 7 10 69 8 11.6 -1.1 >sigma
2 114 GLU 5 22 63 16 25.4 -0.1 .
2 115 GLU 5 5 21 3 14.3 -0.9 .
2 116 GLU 5 12 30 11 36.7 0.7 .
2 117 TYR 6 39 73 22 30.1 0.2 .
2 118 GLY 3 1 26 0 0.0 -1.9 >sigma
2 119 PHE 7 23 59 8 13.6 -0.9 .
2 120 LEU 7 23 55 15 27.3 0.0 .
2 121 VAL 5 33 63 22 34.9 0.6 .
2 122 ARG 7 11 43 5 11.6 -1.1 >sigma
2 123 GLY 3 10 36 9 25.0 -0.1 .
2 124 LEU 7 43 88 31 35.2 0.6 .
2 125 GLY 3 12 27 10 37.0 0.7 .
2 126 THR 4 18 27 14 51.9 1.7 >sigma
2 127 VAL 5 31 47 25 53.2 1.8 >sigma
2 128 ALA 3 19 21 10 47.6 1.4 >sigma
2 129 ALA 3 13 19 10 52.6 1.8 >sigma
2 130 VAL 5 39 58 31 53.4 1.9 >sigma
2 131 GLU 5 12 36 10 27.8 0.1 .
2 132 PHE 7 27 52 21 40.4 0.9 .
2 133 VAL 5 36 54 25 46.3 1.4 >sigma
2 134 HIS 6 20 26 15 57.7 2.2 >sigma
2 135 TYR 6 38 46 23 50.0 1.6 >sigma
2 136 LYS 7 10 14 4 28.6 0.1 .
2 137 ASP 4 7 18 4 22.2 -0.3 .
2 138 ILE 6 41 55 28 50.9 1.7 >sigma
2 139 ALA 3 15 21 11 52.4 1.8 >sigma
2 140 LEU 7 12 22 6 27.3 0.0 .
2 141 ALA 3 25 41 21 51.2 1.7 >sigma
2 142 LYS 7 20 56 12 21.4 -0.4 .
2 143 PRO 5 6 26 5 19.2 -0.5 .
2 144 GLN 7 19 27 13 48.1 1.5 >sigma
2 145 ILE 6 39 82 29 35.4 0.6 .
2 146 ASP 4 12 21 9 42.9 1.1 >sigma
2 147 ALA 3 14 16 9 56.3 2.1 >sigma
2 148 ALA 3 14 31 12 38.7 0.8 .
2 149 ILE 6 40 72 32 44.4 1.2 >sigma
2 150 ARG 7 17 25 12 48.0 1.5 >sigma
2 151 LYS 7 11 21 9 42.9 1.1 >sigma
2 152 VAL 5 22 55 16 29.1 0.1 .
2 153 VAL 5 13 44 10 22.7 -0.3 .
2 154 ASP 4 9 16 8 50.0 1.6 >sigma
2 155 ARG 7 11 28 11 39.3 0.9 .
2 156 VAL 5 17 36 12 33.3 0.4 .
2 157 ASN 6 5 17 4 23.5 -0.2 .
2 158 ASN 6 2 11 2 18.2 -0.6 .
2 159 PRO 5 0 9 0 0.0 -1.9 >sigma
2 160 ALA 3 0 9 0 0.0 -1.9 >sigma
2 161 ALA 3 0 7 0 0.0 -1.9 >sigma
2 162 THR 4 0 7 0 0.0 -1.9 >sigma
2 163 PRO 5 0 4 0 0.0 -1.9 >sigma
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