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 |
|
|
617238 |
5uk6   |
18595 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_5uk6
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 10
_NOE_completeness_stats.Residue_count 705
_NOE_completeness_stats.Total_atom_count 11223
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 3861
_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 0.8
_NOE_completeness_stats.Constraint_unexpanded_count 5250
_NOE_completeness_stats.Constraint_count 5250
_NOE_completeness_stats.Constraint_exp_unfiltered_count 7211
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 4869
_NOE_completeness_stats.Constraint_intraresidue_count 282
_NOE_completeness_stats.Constraint_surplus_count 0
_NOE_completeness_stats.Constraint_observed_count 99
_NOE_completeness_stats.Constraint_expected_count 7211
_NOE_completeness_stats.Constraint_matched_count 56
_NOE_completeness_stats.Constraint_unmatched_count 43
_NOE_completeness_stats.Constraint_exp_nonobs_count 7155
_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 6 3201 0 0.0 -0.8 .
medium-range 57 2294 33 1.4 0.8 .
long-range 36 1510 23 1.5 0.8 .
intermolecular 0 206 0 0.0 -0.8 .
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 29 3 0 0 0 0 0 0 3 0 . 0 10.3 10.3
shell 2.00 2.50 425 3 0 0 0 0 0 0 3 0 . 0 0.7 1.3
shell 2.50 3.00 1313 13 0 0 0 0 0 0 13 0 . 0 1.0 1.1
shell 3.00 3.50 1900 13 0 0 0 0 0 0 13 0 . 0 0.7 0.9
shell 3.50 4.00 3544 24 0 0 0 0 0 0 24 0 . 0 0.7 0.8
shell 4.00 4.50 5194 22 0 0 0 0 0 0 22 0 . 0 0.4 0.6
shell 4.50 5.00 7975 18 0 0 0 0 0 0 18 0 . 0 0.2 0.5
shell 5.00 5.50 10323 3 0 0 0 0 0 0 3 0 . 0 0.0 0.3
shell 5.50 6.00 12263 0 0 0 0 0 0 0 0 0 . 0 0.0 0.2
shell 6.00 6.50 13331 0 0 0 0 0 0 0 0 0 . 0 0.0 0.2
shell 6.50 7.00 14725 0 0 0 0 0 0 0 0 0 . 0 0.0 0.1
shell 7.00 7.50 15512 0 0 0 0 0 0 0 0 0 . 0 0.0 0.1
shell 7.50 8.00 17586 0 0 0 0 0 0 0 0 0 . 0 0.0 0.1
shell 8.00 8.50 19409 0 0 0 0 0 0 0 0 0 . 0 0.0 0.1
shell 8.50 9.00 21720 0 0 0 0 0 0 0 0 0 . 0 0.0 0.1
sums . . 145249 99 0 0 0 0 0 0 99 0 . 0 . .
stop_
loop_
_NOE_completeness_comp.Entity_assembly_ID
_NOE_completeness_comp.Comp_index_ID
_NOE_completeness_comp.Comp_ID
_NOE_completeness_comp.Obs_atom_count
_NOE_completeness_comp.Constraint_observed_count
_NOE_completeness_comp.Constraint_expected_count
_NOE_completeness_comp.Constraint_matched_count
_NOE_completeness_comp.Completeness_cumulative_pct
_NOE_completeness_comp.Std_dev
_NOE_completeness_comp.Details
1 1 MET 6 0 4 0 0.0 -0.4 .
1 2 ASN 6 0 7 0 0.0 -0.4 .
1 3 LEU 7 0 6 0 0.0 -0.4 .
1 4 GLU 5 0 8 0 0.0 -0.4 .
1 5 SER 4 0 8 0 0.0 -0.4 .
1 6 LEU 7 0 10 0 0.0 -0.4 .
1 7 LEU 7 0 16 0 0.0 -0.4 .
1 8 HIS 6 1 35 1 2.9 1.3 >sigma
1 9 TRP 10 0 32 0 0.0 -0.4 .
1 10 ILE 6 1 17 1 5.9 3.1 >sigma
1 11 TYR 6 0 44 0 0.0 -0.4 .
1 12 VAL 5 0 48 0 0.0 -0.4 .
1 13 ALA 3 1 18 1 5.6 2.9 >sigma
1 14 GLY 3 0 12 0 0.0 -0.4 .
1 15 MET 6 0 37 0 0.0 -0.4 .
1 16 THR 4 0 15 0 0.0 -0.4 .
1 17 ILE 6 0 18 0 0.0 -0.4 .
1 18 GLY 3 0 15 0 0.0 -0.4 .
1 19 ALA 3 0 22 0 0.0 -0.4 .
1 20 LEU 7 0 18 0 0.0 -0.4 .
1 21 HIS 6 0 13 0 0.0 -0.4 .
1 22 PHE 7 0 23 0 0.0 -0.4 .
1 23 TRP 10 0 15 0 0.0 -0.4 .
1 24 SER 4 0 12 0 0.0 -0.4 .
1 25 LEU 7 1 19 0 0.0 -0.4 .
1 26 SER 4 0 9 0 0.0 -0.4 .
1 27 ARG 7 0 9 0 0.0 -0.4 .
1 28 ASN 6 0 13 0 0.0 -0.4 .
1 29 PRO 5 0 15 0 0.0 -0.4 .
1 30 ARG 7 0 6 0 0.0 -0.4 .
1 31 GLY 3 0 8 0 0.0 -0.4 .
1 32 VAL 5 1 20 0 0.0 -0.4 .
1 33 PRO 5 1 19 0 0.0 -0.4 .
1 34 GLN 7 0 11 0 0.0 -0.4 .
1 35 TYR 6 0 29 0 0.0 -0.4 .
1 36 GLU 5 0 19 0 0.0 -0.4 .
1 37 TYR 6 0 22 0 0.0 -0.4 .
1 38 LEU 7 0 32 0 0.0 -0.4 .
1 39 VAL 5 0 30 0 0.0 -0.4 .
1 40 ALA 3 0 21 0 0.0 -0.4 .
1 41 MET 6 0 29 0 0.0 -0.4 .
1 42 PHE 7 0 29 0 0.0 -0.4 .
1 43 ILE 6 2 29 1 3.4 1.6 >sigma
1 44 PRO 5 0 37 0 0.0 -0.4 .
1 45 ILE 6 1 27 1 3.7 1.8 >sigma
1 46 TRP 10 0 44 0 0.0 -0.4 .
1 47 SER 4 0 17 0 0.0 -0.4 .
1 48 GLY 3 0 27 0 0.0 -0.4 .
1 49 LEU 7 1 29 1 3.4 1.6 >sigma
1 50 ALA 3 0 24 0 0.0 -0.4 .
1 51 TYR 6 0 47 0 0.0 -0.4 .
1 52 MET 6 1 45 1 2.2 0.9 .
1 53 ALA 3 0 33 0 0.0 -0.4 .
1 54 MET 6 0 41 0 0.0 -0.4 .
1 55 ALA 3 2 30 2 6.7 3.5 >sigma
1 56 ILE 6 0 28 0 0.0 -0.4 .
1 57 ASP 4 0 13 0 0.0 -0.4 .
1 58 GLN 7 0 34 0 0.0 -0.4 .
1 59 GLY 3 0 13 0 0.0 -0.4 .
1 60 LYS 7 1 24 1 4.2 2.1 >sigma
1 61 VAL 5 0 18 0 0.0 -0.4 .
1 62 GLU 5 1 15 1 6.7 3.5 >sigma
1 63 ALA 3 0 12 0 0.0 -0.4 .
1 64 ALA 3 0 9 0 0.0 -0.4 .
1 65 GLY 3 0 9 0 0.0 -0.4 .
1 66 GLN 7 0 11 0 0.0 -0.4 .
1 67 ILE 6 2 20 2 10.0 5.5 >sigma
1 68 ALA 3 0 17 0 0.0 -0.4 .
1 69 HIS 6 0 20 0 0.0 -0.4 .
1 70 TYR 6 0 27 0 0.0 -0.4 .
1 71 ALA 3 0 26 0 0.0 -0.4 .
1 72 ARG 7 0 39 0 0.0 -0.4 .
1 73 TYR 6 2 34 1 2.9 1.3 >sigma
1 74 ILE 6 0 31 0 0.0 -0.4 .
1 75 ASP 4 0 22 0 0.0 -0.4 .
1 76 TRP 10 1 35 1 2.9 1.3 >sigma
1 77 MET 6 1 37 1 2.7 1.2 >sigma
1 78 VAL 5 0 36 0 0.0 -0.4 .
1 79 THR 4 2 31 1 3.2 1.5 >sigma
1 80 THR 4 2 28 0 0.0 -0.4 .
1 81 PRO 5 0 36 0 0.0 -0.4 .
1 82 LEU 7 2 35 1 2.9 1.3 >sigma
1 83 LEU 7 4 30 2 6.7 3.5 >sigma
1 84 LEU 7 0 46 0 0.0 -0.4 .
1 85 LEU 7 2 31 1 3.2 1.5 >sigma
1 86 SER 4 1 24 1 4.2 2.1 >sigma
1 87 LEU 7 2 36 1 2.8 1.2 >sigma
1 88 SER 4 1 14 1 7.1 3.8 >sigma
1 89 TRP 10 0 15 0 0.0 -0.4 .
1 90 THR 4 1 18 1 5.6 2.9 >sigma
1 91 ALA 3 0 15 0 0.0 -0.4 .
1 92 MET 6 0 12 0 0.0 -0.4 .
1 93 GLN 7 0 9 0 0.0 -0.4 .
1 94 PHE 7 0 13 0 0.0 -0.4 .
1 95 ILE 6 0 10 0 0.0 -0.4 .
1 96 LYS 7 0 9 0 0.0 -0.4 .
1 97 LYS 7 0 9 0 0.0 -0.4 .
1 98 ASP 4 0 6 0 0.0 -0.4 .
1 99 TRP 10 0 6 0 0.0 -0.4 .
1 100 THR 4 0 12 0 0.0 -0.4 .
1 101 LEU 7 0 15 0 0.0 -0.4 .
1 102 ILE 6 0 17 0 0.0 -0.4 .
1 103 GLY 3 0 13 0 0.0 -0.4 .
1 104 PHE 7 0 32 0 0.0 -0.4 .
1 105 LEU 7 1 35 0 0.0 -0.4 .
1 106 MET 6 0 20 0 0.0 -0.4 .
1 107 SER 4 0 18 0 0.0 -0.4 .
1 108 THR 4 1 21 0 0.0 -0.4 .
1 109 GLN 7 0 38 0 0.0 -0.4 .
1 110 ILE 6 0 25 0 0.0 -0.4 .
1 111 VAL 5 0 34 0 0.0 -0.4 .
1 112 VAL 5 0 31 0 0.0 -0.4 .
1 113 ILE 6 1 33 1 3.0 1.4 >sigma
1 114 THR 4 1 29 0 0.0 -0.4 .
1 115 SER 4 0 22 0 0.0 -0.4 .
1 116 GLY 3 0 12 0 0.0 -0.4 .
1 117 LEU 7 5 38 2 5.3 2.7 >sigma
1 118 ILE 6 0 39 0 0.0 -0.4 .
1 119 ALA 3 1 18 1 5.6 2.9 >sigma
1 120 ASP 4 1 11 0 0.0 -0.4 .
1 121 LEU 7 0 21 0 0.0 -0.4 .
1 122 SER 4 0 18 0 0.0 -0.4 .
1 123 GLU 5 0 11 0 0.0 -0.4 .
1 124 ARG 7 0 25 0 0.0 -0.4 .
1 125 ASP 4 0 13 0 0.0 -0.4 .
1 126 TRP 10 0 17 0 0.0 -0.4 .
1 127 VAL 5 0 45 0 0.0 -0.4 .
1 128 ARG 7 0 35 0 0.0 -0.4 .
1 129 TYR 6 0 19 0 0.0 -0.4 .
1 130 LEU 7 0 30 0 0.0 -0.4 .
1 131 TRP 10 1 44 1 2.3 1.0 .
1 132 TYR 6 0 28 0 0.0 -0.4 .
1 133 ILE 6 0 22 0 0.0 -0.4 .
1 134 CYS 4 0 23 0 0.0 -0.4 .
1 135 GLY 3 0 17 0 0.0 -0.4 .
1 136 VAL 5 0 24 0 0.0 -0.4 .
1 137 CYS 4 0 20 0 0.0 -0.4 .
1 138 ALA 3 0 23 0 0.0 -0.4 .
1 139 PHE 7 0 38 0 0.0 -0.4 .
1 140 LEU 7 0 27 0 0.0 -0.4 .
1 141 ILE 6 0 22 0 0.0 -0.4 .
1 142 ILE 6 0 29 0 0.0 -0.4 .
1 143 LEU 7 1 40 1 2.5 1.1 >sigma
1 144 TRP 10 0 16 0 0.0 -0.4 .
1 145 GLY 3 0 15 0 0.0 -0.4 .
1 146 ILE 6 1 20 1 5.0 2.5 >sigma
1 147 TRP 10 0 27 0 0.0 -0.4 .
1 148 ASN 6 0 14 0 0.0 -0.4 .
1 149 PRO 5 0 13 0 0.0 -0.4 .
1 150 LEU 7 0 10 0 0.0 -0.4 .
1 151 ARG 7 0 7 0 0.0 -0.4 .
1 152 ALA 3 0 11 0 0.0 -0.4 .
1 153 LYS 7 0 11 0 0.0 -0.4 .
1 154 THR 4 0 17 0 0.0 -0.4 .
1 155 ARG 7 0 14 0 0.0 -0.4 .
1 156 THR 4 0 11 0 0.0 -0.4 .
1 157 GLN 7 0 15 0 0.0 -0.4 .
1 158 SER 4 0 16 0 0.0 -0.4 .
1 159 SER 4 0 7 0 0.0 -0.4 .
1 160 GLU 5 0 13 0 0.0 -0.4 .
1 161 LEU 7 0 22 0 0.0 -0.4 .
1 162 ALA 3 0 16 0 0.0 -0.4 .
1 163 ASN 6 1 13 0 0.0 -0.4 .
1 164 LEU 7 2 16 0 0.0 -0.4 .
1 165 TYR 6 0 25 0 0.0 -0.4 .
1 166 ASP 4 0 15 0 0.0 -0.4 .
1 167 LYS 7 1 12 0 0.0 -0.4 .
1 168 LEU 7 1 35 0 0.0 -0.4 .
1 169 VAL 5 1 30 0 0.0 -0.4 .
1 170 THR 4 0 19 0 0.0 -0.4 .
1 171 TYR 6 1 21 0 0.0 -0.4 .
1 172 PHE 7 0 39 0 0.0 -0.4 .
1 173 THR 4 0 22 0 0.0 -0.4 .
1 174 VAL 5 0 18 0 0.0 -0.4 .
1 175 LEU 7 0 35 0 0.0 -0.4 .
1 176 TRP 10 0 51 0 0.0 -0.4 .
1 177 ILE 6 0 19 0 0.0 -0.4 .
1 178 GLY 3 0 17 0 0.0 -0.4 .
1 179 TYR 6 0 36 0 0.0 -0.4 .
1 180 PRO 5 0 27 0 0.0 -0.4 .
1 181 ILE 6 0 23 0 0.0 -0.4 .
1 182 VAL 5 0 35 0 0.0 -0.4 .
1 183 TRP 10 0 33 0 0.0 -0.4 .
1 184 ILE 6 0 18 0 0.0 -0.4 .
1 185 ILE 6 0 15 0 0.0 -0.4 .
1 186 GLY 3 0 15 0 0.0 -0.4 .
1 187 PRO 5 0 10 0 0.0 -0.4 .
1 188 SER 4 0 11 0 0.0 -0.4 .
1 189 GLY 3 0 7 0 0.0 -0.4 .
1 190 PHE 7 0 6 0 0.0 -0.4 .
1 191 GLY 3 0 13 0 0.0 -0.4 .
1 192 TRP 10 0 5 0 0.0 -0.4 .
1 193 ILE 6 0 16 0 0.0 -0.4 .
1 194 ASN 6 0 7 0 0.0 -0.4 .
1 195 GLN 7 0 10 0 0.0 -0.4 .
1 196 THR 4 0 11 0 0.0 -0.4 .
1 197 ILE 6 0 19 0 0.0 -0.4 .
1 198 ASP 4 0 14 0 0.0 -0.4 .
1 199 THR 4 0 19 0 0.0 -0.4 .
1 200 PHE 7 0 25 0 0.0 -0.4 .
1 201 LEU 7 0 27 0 0.0 -0.4 .
1 202 PHE 7 0 35 0 0.0 -0.4 .
1 203 CYS 4 0 20 0 0.0 -0.4 .
1 204 LEU 7 1 24 1 4.2 2.1 >sigma
1 205 LEU 7 1 34 1 2.9 1.3 >sigma
1 206 PRO 5 1 29 1 3.4 1.6 >sigma
1 207 PHE 7 1 33 1 3.0 1.4 >sigma
1 208 PHE 7 1 18 1 5.6 2.9 >sigma
1 209 SER 4 1 16 1 6.3 3.3 >sigma
1 211 VAL 5 0 13 0 0.0 -0.4 .
1 212 GLY 3 0 11 0 0.0 -0.4 .
1 213 PHE 7 0 30 0 0.0 -0.4 .
1 214 SER 4 0 13 0 0.0 -0.4 .
1 215 PHE 7 0 16 0 0.0 -0.4 .
1 216 LEU 7 0 34 0 0.0 -0.4 .
1 217 ASP 4 0 14 0 0.0 -0.4 .
1 218 LEU 7 1 17 0 0.0 -0.4 .
1 219 HIS 6 0 10 0 0.0 -0.4 .
1 220 GLY 3 0 11 0 0.0 -0.4 .
1 221 LEU 7 0 12 0 0.0 -0.4 .
1 222 ARG 7 0 11 0 0.0 -0.4 .
1 223 ASN 6 0 8 0 0.0 -0.4 .
1 224 LEU 7 0 6 0 0.0 -0.4 .
1 225 ASN 6 0 7 0 0.0 -0.4 .
1 226 ASP 4 0 8 0 0.0 -0.4 .
1 227 SER 4 0 6 0 0.0 -0.4 .
1 228 ARG 7 0 7 0 0.0 -0.4 .
1 229 GLN 7 0 5 0 0.0 -0.4 .
2 1 MET 6 0 3 0 0.0 -0.4 .
2 2 ASN 6 0 5 0 0.0 -0.4 .
2 3 LEU 7 0 5 0 0.0 -0.4 .
2 4 GLU 5 0 8 0 0.0 -0.4 .
2 5 SER 4 0 10 0 0.0 -0.4 .
2 6 LEU 7 0 11 0 0.0 -0.4 .
2 7 LEU 7 0 18 0 0.0 -0.4 .
2 8 HIS 6 1 36 1 2.8 1.2 >sigma
2 9 TRP 10 0 31 0 0.0 -0.4 .
2 10 ILE 6 1 18 1 5.6 2.9 >sigma
2 11 TYR 6 0 47 0 0.0 -0.4 .
2 12 VAL 5 0 48 0 0.0 -0.4 .
2 13 ALA 3 1 18 1 5.6 2.9 >sigma
2 14 GLY 3 0 12 0 0.0 -0.4 .
2 15 MET 6 0 38 0 0.0 -0.4 .
2 16 THR 4 0 16 0 0.0 -0.4 .
2 17 ILE 6 0 20 0 0.0 -0.4 .
2 18 GLY 3 0 15 0 0.0 -0.4 .
2 19 ALA 3 0 22 0 0.0 -0.4 .
2 20 LEU 7 0 18 0 0.0 -0.4 .
2 21 HIS 6 0 13 0 0.0 -0.4 .
2 22 PHE 7 0 19 0 0.0 -0.4 .
2 23 TRP 10 0 15 0 0.0 -0.4 .
2 24 SER 4 0 10 0 0.0 -0.4 .
2 25 LEU 7 1 22 0 0.0 -0.4 .
2 26 SER 4 0 10 0 0.0 -0.4 .
2 27 ARG 7 0 9 0 0.0 -0.4 .
2 28 ASN 6 0 13 0 0.0 -0.4 .
2 29 PRO 5 0 18 0 0.0 -0.4 .
2 30 ARG 7 0 12 0 0.0 -0.4 .
2 31 GLY 3 0 8 0 0.0 -0.4 .
2 32 VAL 5 1 14 0 0.0 -0.4 .
2 33 PRO 5 1 21 0 0.0 -0.4 .
2 34 GLN 7 0 12 0 0.0 -0.4 .
2 35 TYR 6 0 31 0 0.0 -0.4 .
2 36 GLU 5 0 19 0 0.0 -0.4 .
2 37 TYR 6 0 20 0 0.0 -0.4 .
2 38 LEU 7 0 32 0 0.0 -0.4 .
2 39 VAL 5 0 33 0 0.0 -0.4 .
2 40 ALA 3 0 19 0 0.0 -0.4 .
2 41 MET 6 0 28 0 0.0 -0.4 .
2 42 PHE 7 0 33 0 0.0 -0.4 .
2 43 ILE 6 2 31 1 3.2 1.5 >sigma
2 44 PRO 5 0 39 0 0.0 -0.4 .
2 45 ILE 6 1 29 1 3.4 1.6 >sigma
2 46 TRP 10 0 50 0 0.0 -0.4 .
2 47 SER 4 0 19 0 0.0 -0.4 .
2 48 GLY 3 0 28 0 0.0 -0.4 .
2 49 LEU 7 1 29 1 3.4 1.6 >sigma
2 50 ALA 3 0 23 0 0.0 -0.4 .
2 51 TYR 6 0 46 0 0.0 -0.4 .
2 52 MET 6 1 48 1 2.1 0.8 .
2 53 ALA 3 0 33 0 0.0 -0.4 .
2 54 MET 6 0 41 0 0.0 -0.4 .
2 55 ALA 3 2 29 2 6.9 3.6 >sigma
2 56 ILE 6 0 28 0 0.0 -0.4 .
2 57 ASP 4 0 12 0 0.0 -0.4 .
2 58 GLN 7 0 33 0 0.0 -0.4 .
2 59 GLY 3 0 13 0 0.0 -0.4 .
2 60 LYS 7 1 23 1 4.3 2.2 >sigma
2 61 VAL 5 0 20 0 0.0 -0.4 .
2 62 GLU 5 1 14 1 7.1 3.8 >sigma
2 63 ALA 3 0 13 0 0.0 -0.4 .
2 64 ALA 3 0 9 0 0.0 -0.4 .
2 65 GLY 3 0 9 0 0.0 -0.4 .
2 66 GLN 7 0 12 0 0.0 -0.4 .
2 67 ILE 6 2 18 2 11.1 6.1 >sigma
2 68 ALA 3 0 18 0 0.0 -0.4 .
2 69 HIS 6 0 21 0 0.0 -0.4 .
2 70 TYR 6 0 26 0 0.0 -0.4 .
2 71 ALA 3 0 26 0 0.0 -0.4 .
2 72 ARG 7 0 43 0 0.0 -0.4 .
2 73 TYR 6 2 35 1 2.9 1.3 >sigma
2 74 ILE 6 0 31 0 0.0 -0.4 .
2 75 ASP 4 0 23 0 0.0 -0.4 .
2 76 TRP 10 1 37 1 2.7 1.2 >sigma
2 77 MET 6 1 38 1 2.6 1.2 >sigma
2 78 VAL 5 0 34 0 0.0 -0.4 .
2 79 THR 4 2 32 0 0.0 -0.4 .
2 80 THR 4 2 28 0 0.0 -0.4 .
2 81 PRO 5 0 33 0 0.0 -0.4 .
2 82 LEU 7 2 36 0 0.0 -0.4 .
2 83 LEU 7 4 35 2 5.7 3.0 >sigma
2 84 LEU 7 0 46 0 0.0 -0.4 .
2 85 LEU 7 2 33 1 3.0 1.4 >sigma
2 86 SER 4 1 21 1 4.8 2.4 >sigma
2 87 LEU 7 2 37 1 2.7 1.2 >sigma
2 88 SER 4 1 14 1 7.1 3.8 >sigma
2 89 TRP 10 0 20 0 0.0 -0.4 .
2 90 THR 4 1 19 1 5.3 2.7 >sigma
2 91 ALA 3 0 15 0 0.0 -0.4 .
2 92 MET 6 0 13 0 0.0 -0.4 .
2 93 GLN 7 0 9 0 0.0 -0.4 .
2 94 PHE 7 0 12 0 0.0 -0.4 .
2 95 ILE 6 0 11 0 0.0 -0.4 .
2 96 LYS 7 0 9 0 0.0 -0.4 .
2 97 LYS 7 0 8 0 0.0 -0.4 .
2 98 ASP 4 0 7 0 0.0 -0.4 .
2 99 TRP 10 0 10 0 0.0 -0.4 .
2 100 THR 4 0 13 0 0.0 -0.4 .
2 101 LEU 7 0 12 0 0.0 -0.4 .
2 102 ILE 6 0 19 0 0.0 -0.4 .
2 103 GLY 3 0 14 0 0.0 -0.4 .
2 104 PHE 7 0 32 0 0.0 -0.4 .
2 105 LEU 7 1 36 0 0.0 -0.4 .
2 106 MET 6 0 22 0 0.0 -0.4 .
2 107 SER 4 0 18 0 0.0 -0.4 .
2 108 THR 4 1 24 0 0.0 -0.4 .
2 109 GLN 7 0 39 0 0.0 -0.4 .
2 110 ILE 6 0 24 0 0.0 -0.4 .
2 111 VAL 5 0 34 0 0.0 -0.4 .
2 112 VAL 5 0 31 0 0.0 -0.4 .
2 113 ILE 6 1 37 1 2.7 1.2 >sigma
2 114 THR 4 1 25 0 0.0 -0.4 .
2 115 SER 4 0 21 0 0.0 -0.4 .
2 116 GLY 3 0 12 0 0.0 -0.4 .
2 117 LEU 7 5 32 2 6.3 3.3 >sigma
2 118 ILE 6 0 32 0 0.0 -0.4 .
2 119 ALA 3 1 17 1 5.9 3.1 >sigma
2 120 ASP 4 1 12 0 0.0 -0.4 .
2 121 LEU 7 0 24 0 0.0 -0.4 .
2 122 SER 4 0 15 0 0.0 -0.4 .
2 123 GLU 5 0 10 0 0.0 -0.4 .
2 124 ARG 7 0 25 0 0.0 -0.4 .
2 125 ASP 4 0 12 0 0.0 -0.4 .
2 126 TRP 10 0 17 0 0.0 -0.4 .
2 127 VAL 5 0 47 0 0.0 -0.4 .
2 128 ARG 7 0 34 0 0.0 -0.4 .
2 129 TYR 6 0 16 0 0.0 -0.4 .
2 130 LEU 7 0 23 0 0.0 -0.4 .
2 131 TRP 10 1 47 1 2.1 0.9 .
2 132 TYR 6 0 29 0 0.0 -0.4 .
2 133 ILE 6 0 21 0 0.0 -0.4 .
2 134 CYS 4 0 23 0 0.0 -0.4 .
2 135 GLY 3 0 17 0 0.0 -0.4 .
2 136 VAL 5 0 21 0 0.0 -0.4 .
2 137 CYS 4 0 21 0 0.0 -0.4 .
2 138 ALA 3 0 23 0 0.0 -0.4 .
2 139 PHE 7 0 38 0 0.0 -0.4 .
2 140 LEU 7 0 28 0 0.0 -0.4 .
2 141 ILE 6 0 22 0 0.0 -0.4 .
2 142 ILE 6 0 31 0 0.0 -0.4 .
2 143 LEU 7 1 39 1 2.6 1.1 >sigma
2 144 TRP 10 0 16 0 0.0 -0.4 .
2 145 GLY 3 0 13 0 0.0 -0.4 .
2 146 ILE 6 1 20 1 5.0 2.5 >sigma
2 147 TRP 10 0 31 0 0.0 -0.4 .
2 148 ASN 6 0 12 0 0.0 -0.4 .
2 149 PRO 5 0 13 0 0.0 -0.4 .
2 150 LEU 7 0 11 0 0.0 -0.4 .
2 151 ARG 7 0 11 0 0.0 -0.4 .
2 152 ALA 3 0 10 0 0.0 -0.4 .
2 153 LYS 7 0 12 0 0.0 -0.4 .
2 154 THR 4 0 16 0 0.0 -0.4 .
2 155 ARG 7 0 13 0 0.0 -0.4 .
2 156 THR 4 0 10 0 0.0 -0.4 .
2 157 GLN 7 0 14 0 0.0 -0.4 .
2 158 SER 4 0 14 0 0.0 -0.4 .
2 159 SER 4 0 7 0 0.0 -0.4 .
2 160 GLU 5 0 14 0 0.0 -0.4 .
2 161 LEU 7 0 23 0 0.0 -0.4 .
2 162 ALA 3 0 15 0 0.0 -0.4 .
2 163 ASN 6 1 14 0 0.0 -0.4 .
2 164 LEU 7 2 18 0 0.0 -0.4 .
2 165 TYR 6 0 26 0 0.0 -0.4 .
2 166 ASP 4 0 15 0 0.0 -0.4 .
2 167 LYS 7 1 12 0 0.0 -0.4 .
2 168 LEU 7 1 38 0 0.0 -0.4 .
2 169 VAL 5 1 32 0 0.0 -0.4 .
2 170 THR 4 0 20 0 0.0 -0.4 .
2 171 TYR 6 1 19 0 0.0 -0.4 .
2 172 PHE 7 0 40 0 0.0 -0.4 .
2 173 THR 4 0 26 0 0.0 -0.4 .
2 174 VAL 5 0 20 0 0.0 -0.4 .
2 175 LEU 7 0 36 0 0.0 -0.4 .
2 176 TRP 10 0 53 0 0.0 -0.4 .
2 177 ILE 6 0 23 0 0.0 -0.4 .
2 178 GLY 3 0 17 0 0.0 -0.4 .
2 179 TYR 6 0 34 0 0.0 -0.4 .
2 180 PRO 5 0 27 0 0.0 -0.4 .
2 181 ILE 6 0 23 0 0.0 -0.4 .
2 182 VAL 5 0 35 0 0.0 -0.4 .
2 183 TRP 10 0 32 0 0.0 -0.4 .
2 184 ILE 6 0 17 0 0.0 -0.4 .
2 185 ILE 6 0 14 0 0.0 -0.4 .
2 186 GLY 3 0 11 0 0.0 -0.4 .
2 187 PRO 5 0 10 0 0.0 -0.4 .
2 188 SER 4 0 12 0 0.0 -0.4 .
2 189 GLY 3 0 7 0 0.0 -0.4 .
2 190 PHE 7 0 7 0 0.0 -0.4 .
2 191 GLY 3 0 10 0 0.0 -0.4 .
2 192 TRP 10 0 5 0 0.0 -0.4 .
2 193 ILE 6 0 13 0 0.0 -0.4 .
2 194 ASN 6 0 8 0 0.0 -0.4 .
2 195 GLN 7 0 12 0 0.0 -0.4 .
2 196 THR 4 0 11 0 0.0 -0.4 .
2 197 ILE 6 0 21 0 0.0 -0.4 .
2 198 ASP 4 0 17 0 0.0 -0.4 .
2 199 THR 4 0 21 0 0.0 -0.4 .
2 200 PHE 7 0 24 0 0.0 -0.4 .
2 201 LEU 7 0 27 0 0.0 -0.4 .
2 202 PHE 7 0 35 0 0.0 -0.4 .
2 203 CYS 4 0 20 0 0.0 -0.4 .
2 204 LEU 7 1 23 1 4.3 2.2 >sigma
2 205 LEU 7 1 35 1 2.9 1.3 >sigma
2 206 PRO 5 1 29 1 3.4 1.6 >sigma
2 207 PHE 7 1 31 1 3.2 1.5 >sigma
2 208 PHE 7 1 19 1 5.3 2.7 >sigma
2 209 SER 4 1 16 1 6.3 3.3 >sigma
2 211 VAL 5 0 14 0 0.0 -0.4 .
2 212 GLY 3 0 12 0 0.0 -0.4 .
2 213 PHE 7 0 22 0 0.0 -0.4 .
2 214 SER 4 0 15 0 0.0 -0.4 .
2 215 PHE 7 0 15 0 0.0 -0.4 .
2 216 LEU 7 0 31 0 0.0 -0.4 .
2 217 ASP 4 0 15 0 0.0 -0.4 .
2 218 LEU 7 1 20 0 0.0 -0.4 .
2 219 HIS 6 0 12 0 0.0 -0.4 .
2 220 GLY 3 0 12 0 0.0 -0.4 .
2 221 LEU 7 0 10 0 0.0 -0.4 .
2 222 ARG 7 0 11 0 0.0 -0.4 .
2 223 ASN 6 0 8 0 0.0 -0.4 .
2 224 LEU 7 0 7 0 0.0 -0.4 .
2 225 ASN 6 0 8 0 0.0 -0.4 .
2 226 ASP 4 0 8 0 0.0 -0.4 .
2 227 SER 4 0 6 0 0.0 -0.4 .
2 228 ARG 7 0 7 0 0.0 -0.4 .
2 229 GLN 7 0 5 0 0.0 -0.4 .
3 1 MET 6 0 4 0 0.0 -0.4 .
3 2 ASN 6 0 8 0 0.0 -0.4 .
3 3 LEU 7 0 7 0 0.0 -0.4 .
3 4 GLU 5 0 8 0 0.0 -0.4 .
3 5 SER 4 0 9 0 0.0 -0.4 .
3 6 LEU 7 0 11 0 0.0 -0.4 .
3 7 LEU 7 0 20 0 0.0 -0.4 .
3 8 HIS 6 1 33 1 3.0 1.4 >sigma
3 9 TRP 10 0 31 0 0.0 -0.4 .
3 10 ILE 6 1 20 1 5.0 2.5 >sigma
3 11 TYR 6 0 47 0 0.0 -0.4 .
3 12 VAL 5 0 54 0 0.0 -0.4 .
3 13 ALA 3 1 18 1 5.6 2.9 >sigma
3 14 GLY 3 0 11 0 0.0 -0.4 .
3 15 MET 6 0 38 0 0.0 -0.4 .
3 16 THR 4 0 16 0 0.0 -0.4 .
3 17 ILE 6 0 19 0 0.0 -0.4 .
3 18 GLY 3 0 15 0 0.0 -0.4 .
3 19 ALA 3 0 21 0 0.0 -0.4 .
3 20 LEU 7 0 19 0 0.0 -0.4 .
3 21 HIS 6 0 13 0 0.0 -0.4 .
3 22 PHE 7 0 20 0 0.0 -0.4 .
3 23 TRP 10 0 15 0 0.0 -0.4 .
3 24 SER 4 0 10 0 0.0 -0.4 .
3 25 LEU 7 1 16 0 0.0 -0.4 .
3 26 SER 4 0 10 0 0.0 -0.4 .
3 27 ARG 7 0 9 0 0.0 -0.4 .
3 28 ASN 6 0 12 0 0.0 -0.4 .
3 29 PRO 5 0 14 0 0.0 -0.4 .
3 30 ARG 7 0 6 0 0.0 -0.4 .
3 31 GLY 3 0 8 0 0.0 -0.4 .
3 32 VAL 5 1 22 0 0.0 -0.4 .
3 33 PRO 5 1 19 0 0.0 -0.4 .
3 34 GLN 7 0 12 0 0.0 -0.4 .
3 35 TYR 6 0 30 0 0.0 -0.4 .
3 36 GLU 5 0 25 0 0.0 -0.4 .
3 37 TYR 6 0 25 0 0.0 -0.4 .
3 38 LEU 7 0 31 0 0.0 -0.4 .
3 39 VAL 5 0 34 0 0.0 -0.4 .
3 40 ALA 3 0 19 0 0.0 -0.4 .
3 41 MET 6 0 29 0 0.0 -0.4 .
3 42 PHE 7 0 33 0 0.0 -0.4 .
3 43 ILE 6 2 30 0 0.0 -0.4 .
3 44 PRO 5 0 37 0 0.0 -0.4 .
3 45 ILE 6 1 23 1 4.3 2.2 >sigma
3 46 TRP 10 0 39 0 0.0 -0.4 .
3 47 SER 4 0 18 0 0.0 -0.4 .
3 48 GLY 3 0 28 0 0.0 -0.4 .
3 49 LEU 7 1 26 1 3.8 1.9 >sigma
3 50 ALA 3 0 23 0 0.0 -0.4 .
3 51 TYR 6 0 48 0 0.0 -0.4 .
3 52 MET 6 1 46 1 2.2 0.9 .
3 53 ALA 3 0 28 0 0.0 -0.4 .
3 54 MET 6 0 37 0 0.0 -0.4 .
3 55 ALA 3 2 30 2 6.7 3.5 >sigma
3 56 ILE 6 0 28 0 0.0 -0.4 .
3 57 ASP 4 0 12 0 0.0 -0.4 .
3 58 GLN 7 0 30 0 0.0 -0.4 .
3 59 GLY 3 0 12 0 0.0 -0.4 .
3 60 LYS 7 1 24 1 4.2 2.1 >sigma
3 61 VAL 5 0 19 0 0.0 -0.4 .
3 62 GLU 5 1 14 1 7.1 3.8 >sigma
3 63 ALA 3 0 13 0 0.0 -0.4 .
3 64 ALA 3 0 9 0 0.0 -0.4 .
3 65 GLY 3 0 9 0 0.0 -0.4 .
3 66 GLN 7 0 12 0 0.0 -0.4 .
3 67 ILE 6 2 18 2 11.1 6.1 >sigma
3 68 ALA 3 0 17 0 0.0 -0.4 .
3 69 HIS 6 0 21 0 0.0 -0.4 .
3 70 TYR 6 0 26 0 0.0 -0.4 .
3 71 ALA 3 0 26 0 0.0 -0.4 .
3 72 ARG 7 0 44 0 0.0 -0.4 .
3 73 TYR 6 2 33 1 3.0 1.4 >sigma
3 74 ILE 6 0 32 0 0.0 -0.4 .
3 75 ASP 4 0 21 0 0.0 -0.4 .
3 76 TRP 10 1 32 1 3.1 1.4 >sigma
3 77 MET 6 1 36 1 2.8 1.2 >sigma
3 78 VAL 5 0 35 0 0.0 -0.4 .
3 79 THR 4 2 30 1 3.3 1.6 >sigma
3 80 THR 4 2 24 0 0.0 -0.4 .
3 81 PRO 5 0 35 0 0.0 -0.4 .
3 82 LEU 7 2 40 2 5.0 2.5 >sigma
3 83 LEU 7 4 33 1 3.0 1.4 >sigma
3 84 LEU 7 0 43 0 0.0 -0.4 .
3 85 LEU 7 2 29 2 6.9 3.6 >sigma
3 86 SER 4 1 21 1 4.8 2.4 >sigma
3 87 LEU 7 2 38 1 2.6 1.2 >sigma
3 88 SER 4 1 14 1 7.1 3.8 >sigma
3 89 TRP 10 0 17 0 0.0 -0.4 .
3 90 THR 4 1 16 1 6.3 3.3 >sigma
3 91 ALA 3 0 15 0 0.0 -0.4 .
3 92 MET 6 0 9 0 0.0 -0.4 .
3 93 GLN 7 0 7 0 0.0 -0.4 .
3 94 PHE 7 0 10 0 0.0 -0.4 .
3 95 ILE 6 0 8 0 0.0 -0.4 .
3 96 LYS 7 0 9 0 0.0 -0.4 .
3 97 LYS 7 0 8 0 0.0 -0.4 .
3 98 ASP 4 0 6 0 0.0 -0.4 .
3 99 TRP 10 0 9 0 0.0 -0.4 .
3 100 THR 4 0 13 0 0.0 -0.4 .
3 101 LEU 7 0 11 0 0.0 -0.4 .
3 102 ILE 6 0 18 0 0.0 -0.4 .
3 103 GLY 3 0 13 0 0.0 -0.4 .
3 104 PHE 7 0 31 0 0.0 -0.4 .
3 105 LEU 7 1 29 0 0.0 -0.4 .
3 106 MET 6 0 20 0 0.0 -0.4 .
3 107 SER 4 0 19 0 0.0 -0.4 .
3 108 THR 4 1 22 0 0.0 -0.4 .
3 109 GLN 7 0 42 0 0.0 -0.4 .
3 110 ILE 6 0 29 0 0.0 -0.4 .
3 111 VAL 5 0 38 0 0.0 -0.4 .
3 112 VAL 5 0 30 0 0.0 -0.4 .
3 113 ILE 6 1 31 1 3.2 1.5 >sigma
3 114 THR 4 1 27 0 0.0 -0.4 .
3 115 SER 4 0 21 0 0.0 -0.4 .
3 116 GLY 3 0 12 0 0.0 -0.4 .
3 117 LEU 7 5 37 2 5.4 2.8 >sigma
3 118 ILE 6 0 36 0 0.0 -0.4 .
3 119 ALA 3 1 19 1 5.3 2.7 >sigma
3 120 ASP 4 1 12 0 0.0 -0.4 .
3 121 LEU 7 0 19 0 0.0 -0.4 .
3 122 SER 4 0 18 0 0.0 -0.4 .
3 123 GLU 5 0 11 0 0.0 -0.4 .
3 124 ARG 7 0 26 0 0.0 -0.4 .
3 125 ASP 4 0 14 0 0.0 -0.4 .
3 126 TRP 10 0 16 0 0.0 -0.4 .
3 127 VAL 5 0 47 0 0.0 -0.4 .
3 128 ARG 7 0 35 0 0.0 -0.4 .
3 129 TYR 6 0 15 0 0.0 -0.4 .
3 130 LEU 7 0 25 0 0.0 -0.4 .
3 131 TRP 10 1 51 1 2.0 0.8 .
3 132 TYR 6 0 28 0 0.0 -0.4 .
3 133 ILE 6 0 21 0 0.0 -0.4 .
3 134 CYS 4 0 22 0 0.0 -0.4 .
3 135 GLY 3 0 17 0 0.0 -0.4 .
3 136 VAL 5 0 25 0 0.0 -0.4 .
3 137 CYS 4 0 21 0 0.0 -0.4 .
3 138 ALA 3 0 23 0 0.0 -0.4 .
3 139 PHE 7 0 38 0 0.0 -0.4 .
3 140 LEU 7 0 25 0 0.0 -0.4 .
3 141 ILE 6 0 22 0 0.0 -0.4 .
3 142 ILE 6 0 27 0 0.0 -0.4 .
3 143 LEU 7 1 39 1 2.6 1.1 >sigma
3 144 TRP 10 0 17 0 0.0 -0.4 .
3 145 GLY 3 0 16 0 0.0 -0.4 .
3 146 ILE 6 1 20 1 5.0 2.5 >sigma
3 147 TRP 10 0 29 0 0.0 -0.4 .
3 148 ASN 6 0 12 0 0.0 -0.4 .
3 149 PRO 5 0 14 0 0.0 -0.4 .
3 150 LEU 7 0 11 0 0.0 -0.4 .
3 151 ARG 7 0 7 0 0.0 -0.4 .
3 152 ALA 3 0 11 0 0.0 -0.4 .
3 153 LYS 7 0 13 0 0.0 -0.4 .
3 154 THR 4 0 15 0 0.0 -0.4 .
3 155 ARG 7 0 14 0 0.0 -0.4 .
3 156 THR 4 0 12 0 0.0 -0.4 .
3 157 GLN 7 0 12 0 0.0 -0.4 .
3 158 SER 4 0 13 0 0.0 -0.4 .
3 159 SER 4 0 7 0 0.0 -0.4 .
3 160 GLU 5 0 14 0 0.0 -0.4 .
3 161 LEU 7 0 20 0 0.0 -0.4 .
3 162 ALA 3 0 16 0 0.0 -0.4 .
3 163 ASN 6 1 14 0 0.0 -0.4 .
3 164 LEU 7 2 16 0 0.0 -0.4 .
3 165 TYR 6 0 24 0 0.0 -0.4 .
3 166 ASP 4 0 15 0 0.0 -0.4 .
3 167 LYS 7 1 12 0 0.0 -0.4 .
3 168 LEU 7 1 39 0 0.0 -0.4 .
3 169 VAL 5 1 33 0 0.0 -0.4 .
3 170 THR 4 0 18 0 0.0 -0.4 .
3 171 TYR 6 1 20 0 0.0 -0.4 .
3 172 PHE 7 0 38 0 0.0 -0.4 .
3 173 THR 4 0 20 0 0.0 -0.4 .
3 174 VAL 5 0 18 0 0.0 -0.4 .
3 175 LEU 7 0 36 0 0.0 -0.4 .
3 176 TRP 10 0 50 0 0.0 -0.4 .
3 177 ILE 6 0 19 0 0.0 -0.4 .
3 178 GLY 3 0 17 0 0.0 -0.4 .
3 179 TYR 6 0 34 0 0.0 -0.4 .
3 180 PRO 5 0 25 0 0.0 -0.4 .
3 181 ILE 6 0 21 0 0.0 -0.4 .
3 182 VAL 5 0 26 0 0.0 -0.4 .
3 183 TRP 10 0 30 0 0.0 -0.4 .
3 184 ILE 6 0 19 0 0.0 -0.4 .
3 185 ILE 6 0 15 0 0.0 -0.4 .
3 186 GLY 3 0 11 0 0.0 -0.4 .
3 187 PRO 5 0 9 0 0.0 -0.4 .
3 188 SER 4 0 10 0 0.0 -0.4 .
3 189 GLY 3 0 9 0 0.0 -0.4 .
3 190 PHE 7 0 6 0 0.0 -0.4 .
3 191 GLY 3 0 9 0 0.0 -0.4 .
3 192 TRP 10 0 5 0 0.0 -0.4 .
3 193 ILE 6 0 13 0 0.0 -0.4 .
3 194 ASN 6 0 8 0 0.0 -0.4 .
3 195 GLN 7 0 11 0 0.0 -0.4 .
3 196 THR 4 0 11 0 0.0 -0.4 .
3 197 ILE 6 0 18 0 0.0 -0.4 .
3 198 ASP 4 0 15 0 0.0 -0.4 .
3 199 THR 4 0 20 0 0.0 -0.4 .
3 200 PHE 7 0 25 0 0.0 -0.4 .
3 201 LEU 7 0 19 0 0.0 -0.4 .
3 202 PHE 7 0 34 0 0.0 -0.4 .
3 203 CYS 4 0 22 0 0.0 -0.4 .
3 204 LEU 7 1 24 1 4.2 2.1 >sigma
3 205 LEU 7 1 37 1 2.7 1.2 >sigma
3 206 PRO 5 1 30 1 3.3 1.6 >sigma
3 207 PHE 7 1 32 1 3.1 1.4 >sigma
3 208 PHE 7 1 20 1 5.0 2.5 >sigma
3 209 SER 4 1 17 1 5.9 3.1 >sigma
3 211 VAL 5 0 16 0 0.0 -0.4 .
3 212 GLY 3 0 13 0 0.0 -0.4 .
3 213 PHE 7 0 25 0 0.0 -0.4 .
3 214 SER 4 0 15 0 0.0 -0.4 .
3 215 PHE 7 0 18 0 0.0 -0.4 .
3 216 LEU 7 0 32 0 0.0 -0.4 .
3 217 ASP 4 0 13 0 0.0 -0.4 .
3 218 LEU 7 1 17 0 0.0 -0.4 .
3 219 HIS 6 0 12 0 0.0 -0.4 .
3 220 GLY 3 0 12 0 0.0 -0.4 .
3 221 LEU 7 0 13 0 0.0 -0.4 .
3 222 ARG 7 0 10 0 0.0 -0.4 .
3 223 ASN 6 0 8 0 0.0 -0.4 .
3 224 LEU 7 0 8 0 0.0 -0.4 .
3 225 ASN 6 0 7 0 0.0 -0.4 .
3 226 ASP 4 0 6 0 0.0 -0.4 .
3 227 SER 4 0 6 0 0.0 -0.4 .
3 228 ARG 7 0 8 0 0.0 -0.4 .
3 229 GLN 7 0 5 0 0.0 -0.4 .
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