NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
642720 |
6rhy   |
34396 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6rhy
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 286
_Distance_constraint_stats_list.Viol_count 129
_Distance_constraint_stats_list.Viol_total 69.755
_Distance_constraint_stats_list.Viol_max 0.095
_Distance_constraint_stats_list.Viol_rms 0.0077
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0360
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 10 TYR 0.018 0.014 15 0 "[ . 1 .]"
1 11 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 12 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 13 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 15 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 16 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 17 LEU 0.059 0.050 11 0 "[ . 1 .]"
1 18 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 19 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 20 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 21 ALA 0.003 0.003 2 0 "[ . 1 .]"
1 22 GLU 0.279 0.062 9 0 "[ . 1 .]"
1 23 ASP 0.020 0.020 5 0 "[ . 1 .]"
1 24 VAL 0.151 0.076 8 0 "[ . 1 .]"
1 25 GLY 0.256 0.085 4 0 "[ . 1 .]"
1 26 SER 0.000 0.000 . 0 "[ . 1 .]"
1 28 LYS 0.254 0.085 4 0 "[ . 1 .]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 30 ALA 0.345 0.076 8 0 "[ . 1 .]"
1 31 ILE 0.212 0.052 9 0 "[ . 1 .]"
1 32 ILE 0.003 0.003 2 0 "[ . 1 .]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 34 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 35 MET 0.059 0.050 11 0 "[ . 1 .]"
1 36 VAL 1.057 0.094 7 0 "[ . 1 .]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 39 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 40 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 41 ILE 0.047 0.034 11 0 "[ . 1 .]"
1 42 ALA 0.018 0.014 15 0 "[ . 1 .]"
2 17 LEU 0.000 0.000 . 0 "[ . 1 .]"
2 18 VAL 0.000 0.000 . 0 "[ . 1 .]"
2 19 PHE 0.000 0.000 . 0 "[ . 1 .]"
2 21 ALA 0.000 0.000 . 0 "[ . 1 .]"
2 22 GLU 0.000 0.000 . 0 "[ . 1 .]"
2 23 ASP 0.024 0.024 9 0 "[ . 1 .]"
2 24 VAL 0.024 0.024 9 0 "[ . 1 .]"
2 30 ALA 0.000 0.000 . 0 "[ . 1 .]"
2 31 ILE 0.045 0.028 14 0 "[ . 1 .]"
2 32 ILE 1.294 0.094 7 0 "[ . 1 .]"
2 33 GLY 0.000 0.000 . 0 "[ . 1 .]"
2 34 LEU 0.000 0.000 . 0 "[ . 1 .]"
2 35 MET 0.000 0.000 . 0 "[ . 1 .]"
2 36 VAL 0.000 0.000 . 0 "[ . 1 .]"
2 37 GLY 0.071 0.051 13 0 "[ . 1 .]"
2 38 GLY 0.000 0.000 . 0 "[ . 1 .]"
2 39 VAL 0.000 0.000 . 0 "[ . 1 .]"
2 40 VAL 0.000 0.000 . 0 "[ . 1 .]"
2 41 ILE 0.032 0.020 2 0 "[ . 1 .]"
2 42 ALA 0.409 0.079 4 0 "[ . 1 .]"
3 9 GLY 0.000 0.000 . 0 "[ . 1 .]"
3 10 TYR 0.023 0.016 15 0 "[ . 1 .]"
3 11 GLU 0.000 0.000 . 0 "[ . 1 .]"
3 12 VAL 0.000 0.000 . 0 "[ . 1 .]"
3 13 HIS 0.000 0.000 . 0 "[ . 1 .]"
3 15 GLN 0.000 0.000 . 0 "[ . 1 .]"
3 16 LYS 0.000 0.000 . 0 "[ . 1 .]"
3 17 LEU 0.070 0.053 11 0 "[ . 1 .]"
3 18 VAL 0.000 0.000 . 0 "[ . 1 .]"
3 19 PHE 0.000 0.000 . 0 "[ . 1 .]"
3 20 PHE 0.000 0.000 . 0 "[ . 1 .]"
3 21 ALA 0.002 0.002 2 0 "[ . 1 .]"
3 22 GLU 0.266 0.058 9 0 "[ . 1 .]"
3 23 ASP 0.025 0.025 5 0 "[ . 1 .]"
3 24 VAL 0.122 0.064 8 0 "[ . 1 .]"
3 25 GLY 0.227 0.081 4 0 "[ . 1 .]"
3 26 SER 0.000 0.000 . 0 "[ . 1 .]"
3 28 LYS 0.240 0.081 4 0 "[ . 1 .]"
3 29 GLY 0.000 0.000 . 0 "[ . 1 .]"
3 30 ALA 0.310 0.064 8 0 "[ . 1 .]"
3 31 ILE 0.220 0.051 9 0 "[ . 1 .]"
3 32 ILE 0.002 0.002 2 0 "[ . 1 .]"
3 33 GLY 0.000 0.000 . 0 "[ . 1 .]"
3 34 LEU 0.000 0.000 . 0 "[ . 1 .]"
3 35 MET 0.070 0.053 11 0 "[ . 1 .]"
3 36 VAL 1.064 0.095 2 0 "[ . 1 .]"
3 37 GLY 0.000 0.000 . 0 "[ . 1 .]"
3 38 GLY 0.000 0.000 . 0 "[ . 1 .]"
3 39 VAL 0.000 0.000 . 0 "[ . 1 .]"
3 40 VAL 0.000 0.000 . 0 "[ . 1 .]"
3 41 ILE 0.041 0.029 11 0 "[ . 1 .]"
3 42 ALA 0.023 0.016 15 0 "[ . 1 .]"
4 17 LEU 0.000 0.000 . 0 "[ . 1 .]"
4 18 VAL 0.000 0.000 . 0 "[ . 1 .]"
4 19 PHE 0.000 0.000 . 0 "[ . 1 .]"
4 21 ALA 0.000 0.000 . 0 "[ . 1 .]"
4 22 GLU 0.000 0.000 . 0 "[ . 1 .]"
4 23 ASP 0.029 0.029 9 0 "[ . 1 .]"
4 24 VAL 0.029 0.029 9 0 "[ . 1 .]"
4 30 ALA 0.000 0.000 . 0 "[ . 1 .]"
4 31 ILE 0.070 0.058 10 0 "[ . 1 .]"
4 32 ILE 1.191 0.095 2 0 "[ . 1 .]"
4 33 GLY 0.000 0.000 . 0 "[ . 1 .]"
4 34 LEU 0.000 0.000 . 0 "[ . 1 .]"
4 35 MET 0.000 0.000 . 0 "[ . 1 .]"
4 36 VAL 0.000 0.000 . 0 "[ . 1 .]"
4 37 GLY 0.072 0.049 13 0 "[ . 1 .]"
4 38 GLY 0.000 0.000 . 0 "[ . 1 .]"
4 39 VAL 0.000 0.000 . 0 "[ . 1 .]"
4 40 VAL 0.000 0.000 11 0 "[ . 1 .]"
4 41 ILE 0.060 0.046 10 0 "[ . 1 .]"
4 42 ALA 0.465 0.081 4 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 41 ILE H 1 42 ALA H 4.300 . 5.300 4.360 4.172 4.526 . 0 0 "[ . 1 .]" 1
2 1 10 TYR H 1 42 ALA H 4.500 . 5.500 4.965 4.584 5.514 0.014 15 0 "[ . 1 .]" 1
3 1 41 ILE H 2 30 ALA H 3.500 . 4.500 3.236 2.929 3.559 . 0 0 "[ . 1 .]" 1
4 1 40 VAL H 1 41 ILE H 4.600 . 5.600 4.250 4.130 4.346 . 0 0 "[ . 1 .]" 1
5 1 11 GLU H 1 40 VAL H 3.200 . 4.200 2.986 2.760 3.466 . 0 0 "[ . 1 .]" 1
6 1 39 VAL H 2 32 ILE H 3.500 . 4.500 3.079 2.935 3.292 . 0 0 "[ . 1 .]" 1
7 1 13 HIS H 1 38 GLY H 3.000 . 4.000 3.129 2.893 3.667 . 0 0 "[ . 1 .]" 1
8 1 37 GLY H 1 38 GLY H 4.000 . 5.000 4.333 4.272 4.405 . 0 0 "[ . 1 .]" 1
9 1 37 GLY H 2 34 LEU H 3.500 . 4.500 3.036 2.857 3.140 . 0 0 "[ . 1 .]" 1
10 1 15 GLN H 1 36 VAL H 3.200 . 4.200 2.952 2.741 3.261 . 0 0 "[ . 1 .]" 1
11 1 35 MET H 1 36 VAL H 5.000 . 6.000 4.264 4.126 4.371 . 0 0 "[ . 1 .]" 1
12 1 35 MET H 2 36 VAL H 3.600 . 4.600 3.242 3.052 3.411 . 0 0 "[ . 1 .]" 1
13 1 34 LEU H 1 35 MET H 4.400 . 5.400 4.308 4.211 4.383 . 0 0 "[ . 1 .]" 1
14 1 17 LEU H 1 34 LEU H 3.500 . 4.500 3.039 2.910 3.199 . 0 0 "[ . 1 .]" 1
15 1 33 GLY H 2 38 GLY H 3.400 . 4.400 2.974 2.812 3.134 . 0 0 "[ . 1 .]" 1
16 1 31 ILE H 2 40 VAL H 3.200 . 4.200 2.942 2.721 3.202 . 0 0 "[ . 1 .]" 1
17 1 21 ALA H 1 30 ALA H 3.200 . 4.200 3.265 2.838 3.644 . 0 0 "[ . 1 .]" 1
18 1 22 GLU H 1 30 ALA H 3.800 . 4.800 4.796 4.641 4.862 0.062 9 0 "[ . 1 .]" 1
19 1 29 GLY H 2 42 ALA H 3.200 . 4.200 3.226 2.998 3.461 . 0 0 "[ . 1 .]" 1
20 1 28 LYS H 1 29 GLY H 3.900 . 4.900 4.330 4.134 4.559 . 0 0 "[ . 1 .]" 1
21 1 25 GLY H 1 28 LYS H 4.200 . 5.200 4.207 2.787 5.285 0.085 4 0 "[ . 1 .]" 1
22 1 26 SER H 1 28 LYS H 4.300 . 5.300 4.111 2.739 5.068 . 0 0 "[ . 1 .]" 1
23 1 24 VAL H 1 25 GLY H 3.300 . 4.300 2.630 1.767 3.790 0.033 11 0 "[ . 1 .]" 1
24 1 24 VAL H 1 28 LYS H 4.200 . 5.200 4.323 2.929 5.219 0.019 1 0 "[ . 1 .]" 1
25 1 23 ASP H 1 24 VAL H 4.200 . 5.200 3.201 2.528 4.318 . 0 0 "[ . 1 .]" 1
26 1 22 GLU H 1 23 ASP H 3.700 . 4.700 2.416 1.780 4.509 0.020 5 0 "[ . 1 .]" 1
27 1 21 ALA H 1 22 GLU H 4.000 . 5.000 4.315 4.152 4.431 . 0 0 "[ . 1 .]" 1
28 1 20 PHE H 1 21 ALA H 4.600 . 5.600 4.319 4.137 4.468 . 0 0 "[ . 1 .]" 1
29 1 19 PHE H 1 32 ILE H 3.200 . 4.200 3.193 2.956 3.609 . 0 0 "[ . 1 .]" 1
30 1 19 PHE H 1 20 PHE H 4.200 . 5.200 4.349 4.243 4.468 . 0 0 "[ . 1 .]" 1
31 1 18 VAL H 1 19 PHE H 4.400 . 5.400 4.285 4.125 4.409 . 0 0 "[ . 1 .]" 1
32 1 16 LYS H 1 17 LEU H 4.300 . 5.300 4.313 4.216 4.463 . 0 0 "[ . 1 .]" 1
33 1 17 LEU H 1 18 VAL H 4.700 . 5.700 4.260 4.094 4.340 . 0 0 "[ . 1 .]" 1
34 1 12 VAL H 1 13 HIS H 4.000 . 5.000 4.379 4.140 4.557 . 0 0 "[ . 1 .]" 1
35 1 9 GLY H 1 10 TYR H 4.600 . 5.600 3.410 2.227 4.494 . 0 0 "[ . 1 .]" 1
36 2 41 ILE H 2 42 ALA H 4.500 . 5.500 4.219 4.144 4.319 . 0 0 "[ . 1 .]" 1
37 2 41 ILE H 4 31 ILE H 3.400 . 4.400 3.404 3.052 3.644 . 0 0 "[ . 1 .]" 1
38 2 40 VAL H 2 41 ILE H 4.300 . 5.300 4.210 4.125 4.334 . 0 0 "[ . 1 .]" 1
39 2 39 VAL H 4 33 GLY H 3.400 . 4.400 3.022 2.731 3.169 . 0 0 "[ . 1 .]" 1
40 2 38 GLY H 2 39 VAL H 4.100 . 5.100 4.336 4.204 4.413 . 0 0 "[ . 1 .]" 1
41 2 37 GLY H 4 35 MET H 3.900 . 4.900 3.276 3.003 3.447 . 0 0 "[ . 1 .]" 1
42 2 31 ILE H 2 32 ILE H 4.300 . 5.300 4.218 4.118 4.291 . 0 0 "[ . 1 .]" 1
43 2 23 ASP H 2 24 VAL H 4.600 . 5.600 3.629 1.776 4.574 0.024 9 0 "[ . 1 .]" 1
44 2 18 VAL H 2 19 PHE H 3.900 . 4.900 2.597 2.458 2.670 . 0 0 "[ . 1 .]" 1
45 2 17 LEU H 2 18 VAL H 4.400 . 5.400 2.581 2.428 2.806 . 0 0 "[ . 1 .]" 1
46 1 42 ALA H 1 42 ALA MB 3.000 . 4.000 2.606 2.249 2.875 . 0 0 "[ . 1 .]" 1
47 1 40 VAL MG1 1 42 ALA H 4.200 . 5.200 4.266 3.461 4.975 . 0 0 "[ . 1 .]" 1
48 1 21 ALA H 1 21 ALA MB 2.900 . 3.900 2.536 2.348 2.731 . 0 0 "[ . 1 .]" 1
49 1 30 ALA H 1 30 ALA MB 3.000 . 4.000 2.540 2.394 2.675 . 0 0 "[ . 1 .]" 1
50 1 24 VAL H 1 30 ALA MB 4.300 . 5.300 4.933 4.169 5.376 0.076 8 0 "[ . 1 .]" 1
51 1 21 ALA MB 1 22 GLU H 4.500 . 5.500 2.957 2.378 3.100 . 0 0 "[ . 1 .]" 1
52 1 41 ILE H 2 30 ALA MB 4.000 . 5.000 3.652 3.216 4.129 . 0 0 "[ . 1 .]" 1
53 1 41 ILE H 1 42 ALA MB 5.200 . 6.200 4.743 4.108 5.521 . 0 0 "[ . 1 .]" 1
54 1 39 VAL H 2 32 ILE MD 5.200 . 6.200 2.890 2.014 3.887 . 0 0 "[ . 1 .]" 1
55 1 36 VAL MG1 1 37 GLY H 5.100 . 6.100 2.711 2.405 3.932 . 0 0 "[ . 1 .]" 1
56 1 36 VAL H 1 36 VAL MG2 4.500 . 5.500 2.886 2.553 3.935 . 0 0 "[ . 1 .]" 1
57 1 32 ILE MG 1 33 GLY H 5.600 . 6.600 3.362 2.440 4.130 . 0 0 "[ . 1 .]" 1
58 1 31 ILE MG 1 33 GLY H 5.200 . 6.200 4.469 3.740 5.261 . 0 0 "[ . 1 .]" 1
59 1 32 ILE H 1 32 ILE MG 4.300 . 5.300 3.188 2.156 3.894 . 0 0 "[ . 1 .]" 1
60 1 30 ALA MB 1 32 ILE H 5.500 . 6.500 4.859 4.527 5.202 . 0 0 "[ . 1 .]" 1
61 1 30 ALA MB 1 31 ILE H 3.800 . 4.800 3.016 2.865 3.074 . 0 0 "[ . 1 .]" 1
62 1 29 GLY H 2 42 ALA MB 5.000 . 6.000 4.263 3.503 4.560 . 0 0 "[ . 1 .]" 1
63 1 24 VAL MG2 1 29 GLY H 5.900 . 6.900 4.818 3.701 6.467 . 0 0 "[ . 1 .]" 1
64 1 20 PHE H 1 21 ALA MB 6.000 . 7.000 4.662 4.227 5.045 . 0 0 "[ . 1 .]" 1
65 1 19 PHE H 1 32 ILE MG 5.100 . 6.100 3.686 2.608 4.886 . 0 0 "[ . 1 .]" 1
66 1 17 LEU MD1 1 18 VAL H 4.700 . 5.700 4.469 2.293 5.166 . 0 0 "[ . 1 .]" 1
67 1 11 GLU H 1 42 ALA MB 6.000 . 7.000 5.578 5.011 6.661 . 0 0 "[ . 1 .]" 1
68 2 42 ALA H 2 42 ALA MB 3.300 . 4.300 2.842 2.659 2.949 . 0 0 "[ . 1 .]" 1
69 1 30 ALA MB 2 42 ALA H 4.600 . 5.600 4.121 3.608 4.502 . 0 0 "[ . 1 .]" 1
70 2 30 ALA H 2 30 ALA MB 3.400 . 4.400 2.587 2.279 2.867 . 0 0 "[ . 1 .]" 1
71 2 21 ALA MB 2 22 GLU H 4.400 . 5.400 3.368 2.280 3.716 . 0 0 "[ . 1 .]" 1
72 2 21 ALA MB 2 23 ASP H 5.100 . 6.100 4.744 3.132 5.813 . 0 0 "[ . 1 .]" 1
73 2 41 ILE H 2 42 ALA MB 4.100 . 5.100 4.208 3.968 4.689 . 0 0 "[ . 1 .]" 1
74 2 40 VAL MG1 2 41 ILE H 4.700 . 5.700 3.381 2.883 4.116 . 0 0 "[ . 1 .]" 1
75 1 30 ALA MB 2 40 VAL H 4.600 . 5.600 4.517 4.124 4.990 . 0 0 "[ . 1 .]" 1
76 1 31 ILE MG 2 40 VAL H 5.000 . 6.000 3.491 2.502 4.234 . 0 0 "[ . 1 .]" 1
77 1 36 VAL MG2 2 36 VAL H 5.600 . 6.600 3.610 3.214 4.419 . 0 0 "[ . 1 .]" 1
78 1 36 VAL MG1 2 34 LEU H 5.300 . 6.300 3.838 3.338 5.824 . 0 0 "[ . 1 .]" 1
79 2 32 ILE H 4 42 ALA MB 5.500 . 6.500 6.330 5.990 6.581 0.081 4 0 "[ . 1 .]" 1
80 1 39 VAL MG1 1 41 ILE MD 4.500 . 5.500 2.849 2.111 4.067 . 0 0 "[ . 1 .]" 1
81 1 39 VAL MG2 2 32 ILE MD 4.700 . 5.700 2.924 2.049 4.118 . 0 0 "[ . 1 .]" 1
82 1 24 VAL MG2 1 30 ALA MB 4.600 . 5.600 2.514 1.828 3.781 . 0 0 "[ . 1 .]" 1
83 1 21 ALA MB 1 30 ALA MB 3.700 . 4.700 2.639 1.905 3.735 . 0 0 "[ . 1 .]" 1
84 1 21 ALA MB 1 24 VAL MG2 4.600 . 5.600 3.381 1.884 4.689 . 0 0 "[ . 1 .]" 1
85 2 30 ALA MB 4 42 ALA MB 4.000 . 5.000 2.619 2.017 3.153 . 0 0 "[ . 1 .]" 1
86 2 30 ALA MB 2 32 ILE MG 3.800 . 4.800 3.687 2.885 4.645 . 0 0 "[ . 1 .]" 1
87 2 40 VAL MG1 2 42 ALA MB 4.600 . 5.600 3.818 2.753 5.142 . 0 0 "[ . 1 .]" 1
88 3 41 ILE H 3 42 ALA H 4.300 . 5.300 4.361 4.169 4.526 . 0 0 "[ . 1 .]" 1
89 3 10 TYR H 3 42 ALA H 4.500 . 5.500 4.967 4.596 5.516 0.016 15 0 "[ . 1 .]" 1
90 3 41 ILE H 4 30 ALA H 3.500 . 4.500 3.237 2.922 3.560 . 0 0 "[ . 1 .]" 1
91 3 40 VAL H 3 41 ILE H 4.600 . 5.600 4.250 4.130 4.347 . 0 0 "[ . 1 .]" 1
92 3 11 GLU H 3 40 VAL H 3.200 . 4.200 2.987 2.763 3.464 . 0 0 "[ . 1 .]" 1
93 3 39 VAL H 4 32 ILE H 3.500 . 4.500 3.077 2.931 3.298 . 0 0 "[ . 1 .]" 1
94 3 13 HIS H 3 38 GLY H 3.000 . 4.000 3.130 2.897 3.665 . 0 0 "[ . 1 .]" 1
95 3 37 GLY H 3 38 GLY H 4.000 . 5.000 4.333 4.268 4.407 . 0 0 "[ . 1 .]" 1
96 3 37 GLY H 4 34 LEU H 3.500 . 4.500 3.034 2.854 3.139 . 0 0 "[ . 1 .]" 1
97 3 15 GLN H 3 36 VAL H 3.200 . 4.200 2.952 2.737 3.268 . 0 0 "[ . 1 .]" 1
98 3 35 MET H 3 36 VAL H 5.000 . 6.000 4.264 4.127 4.373 . 0 0 "[ . 1 .]" 1
99 3 35 MET H 4 36 VAL H 3.600 . 4.600 3.240 3.059 3.412 . 0 0 "[ . 1 .]" 1
100 3 34 LEU H 3 35 MET H 4.400 . 5.400 4.310 4.212 4.382 . 0 0 "[ . 1 .]" 1
101 3 17 LEU H 3 34 LEU H 3.500 . 4.500 3.039 2.913 3.201 . 0 0 "[ . 1 .]" 1
102 3 33 GLY H 4 38 GLY H 3.400 . 4.400 2.973 2.813 3.131 . 0 0 "[ . 1 .]" 1
103 3 31 ILE H 4 40 VAL H 3.200 . 4.200 2.943 2.720 3.202 . 0 0 "[ . 1 .]" 1
104 3 21 ALA H 3 30 ALA H 3.200 . 4.200 3.264 2.838 3.641 . 0 0 "[ . 1 .]" 1
105 3 22 GLU H 3 30 ALA H 3.800 . 4.800 4.795 4.641 4.858 0.058 9 0 "[ . 1 .]" 1
106 3 29 GLY H 4 42 ALA H 3.200 . 4.200 3.225 2.973 3.457 . 0 0 "[ . 1 .]" 1
107 3 28 LYS H 3 29 GLY H 3.900 . 4.900 4.332 4.133 4.556 . 0 0 "[ . 1 .]" 1
108 3 25 GLY H 3 28 LYS H 4.200 . 5.200 4.206 2.787 5.281 0.081 4 0 "[ . 1 .]" 1
109 3 26 SER H 3 28 LYS H 4.300 . 5.300 4.110 2.739 5.066 . 0 0 "[ . 1 .]" 1
110 3 24 VAL H 3 25 GLY H 3.300 . 4.300 2.630 1.780 3.774 0.020 11 0 "[ . 1 .]" 1
111 3 24 VAL H 3 28 LYS H 4.200 . 5.200 4.323 2.927 5.219 0.019 1 0 "[ . 1 .]" 1
112 3 23 ASP H 3 24 VAL H 4.200 . 5.200 3.202 2.529 4.327 . 0 0 "[ . 1 .]" 1
113 3 22 GLU H 3 23 ASP H 3.700 . 4.700 2.415 1.775 4.507 0.025 5 0 "[ . 1 .]" 1
114 3 21 ALA H 3 22 GLU H 4.000 . 5.000 4.314 4.148 4.429 . 0 0 "[ . 1 .]" 1
115 3 20 PHE H 3 21 ALA H 4.600 . 5.600 4.321 4.137 4.469 . 0 0 "[ . 1 .]" 1
116 3 19 PHE H 3 32 ILE H 3.200 . 4.200 3.193 2.963 3.604 . 0 0 "[ . 1 .]" 1
117 3 19 PHE H 3 20 PHE H 4.200 . 5.200 4.349 4.251 4.466 . 0 0 "[ . 1 .]" 1
118 3 18 VAL H 3 19 PHE H 4.400 . 5.400 4.283 4.118 4.404 . 0 0 "[ . 1 .]" 1
119 3 16 LYS H 3 17 LEU H 4.300 . 5.300 4.312 4.206 4.463 . 0 0 "[ . 1 .]" 1
120 3 17 LEU H 3 18 VAL H 4.700 . 5.700 4.261 4.091 4.341 . 0 0 "[ . 1 .]" 1
121 3 12 VAL H 3 13 HIS H 4.000 . 5.000 4.380 4.140 4.565 . 0 0 "[ . 1 .]" 1
122 3 9 GLY H 3 10 TYR H 4.600 . 5.600 3.408 2.228 4.497 . 0 0 "[ . 1 .]" 1
123 4 41 ILE H 4 42 ALA H 4.500 . 5.500 4.221 4.147 4.319 . 0 0 "[ . 1 .]" 1
124 2 31 ILE H 4 41 ILE H 3.400 . 4.400 3.418 3.050 3.637 . 0 0 "[ . 1 .]" 1
125 4 40 VAL H 4 41 ILE H 4.300 . 5.300 4.211 4.133 4.339 . 0 0 "[ . 1 .]" 1
126 2 33 GLY H 4 39 VAL H 3.400 . 4.400 3.035 2.810 3.219 . 0 0 "[ . 1 .]" 1
127 4 38 GLY H 4 39 VAL H 4.100 . 5.100 4.335 4.198 4.416 . 0 0 "[ . 1 .]" 1
128 2 35 MET H 4 37 GLY H 3.900 . 4.900 3.275 3.005 3.454 . 0 0 "[ . 1 .]" 1
129 4 31 ILE H 4 32 ILE H 4.300 . 5.300 4.216 4.116 4.296 . 0 0 "[ . 1 .]" 1
130 4 23 ASP H 4 24 VAL H 4.600 . 5.600 3.630 1.771 4.576 0.029 9 0 "[ . 1 .]" 1
131 4 18 VAL H 4 19 PHE H 3.900 . 4.900 2.597 2.466 2.661 . 0 0 "[ . 1 .]" 1
132 4 17 LEU H 4 18 VAL H 4.400 . 5.400 2.585 2.430 2.806 . 0 0 "[ . 1 .]" 1
133 3 42 ALA H 3 42 ALA MB 3.000 . 4.000 2.606 2.250 2.875 . 0 0 "[ . 1 .]" 1
134 3 40 VAL MG1 3 42 ALA H 4.200 . 5.200 4.268 3.458 4.981 . 0 0 "[ . 1 .]" 1
135 3 21 ALA H 3 21 ALA MB 2.900 . 3.900 2.536 2.339 2.727 . 0 0 "[ . 1 .]" 1
136 3 30 ALA H 3 30 ALA MB 3.000 . 4.000 2.540 2.391 2.672 . 0 0 "[ . 1 .]" 1
137 3 24 VAL H 3 30 ALA MB 4.300 . 5.300 4.934 4.175 5.364 0.064 8 0 "[ . 1 .]" 1
138 3 21 ALA MB 3 22 GLU H 4.500 . 5.500 2.959 2.398 3.102 . 0 0 "[ . 1 .]" 1
139 3 41 ILE H 4 30 ALA MB 4.000 . 5.000 3.651 3.215 4.129 . 0 0 "[ . 1 .]" 1
140 3 41 ILE H 3 42 ALA MB 5.200 . 6.200 4.746 4.113 5.519 . 0 0 "[ . 1 .]" 1
141 3 39 VAL H 4 32 ILE MD 5.200 . 6.200 2.892 2.016 3.889 . 0 0 "[ . 1 .]" 1
142 3 36 VAL MG1 3 37 GLY H 5.100 . 6.100 2.711 2.411 3.928 . 0 0 "[ . 1 .]" 1
143 3 36 VAL H 3 36 VAL MG2 4.500 . 5.500 2.886 2.553 3.935 . 0 0 "[ . 1 .]" 1
144 3 32 ILE MG 3 33 GLY H 5.600 . 6.600 3.361 2.436 4.134 . 0 0 "[ . 1 .]" 1
145 3 31 ILE MG 3 33 GLY H 5.200 . 6.200 4.469 3.739 5.253 . 0 0 "[ . 1 .]" 1
146 3 32 ILE H 3 32 ILE MG 4.300 . 5.300 3.189 2.163 3.894 . 0 0 "[ . 1 .]" 1
147 3 30 ALA MB 3 32 ILE H 5.500 . 6.500 4.860 4.531 5.203 . 0 0 "[ . 1 .]" 1
148 3 30 ALA MB 3 31 ILE H 3.800 . 4.800 3.016 2.859 3.076 . 0 0 "[ . 1 .]" 1
149 3 29 GLY H 4 42 ALA MB 5.000 . 6.000 4.264 3.509 4.557 . 0 0 "[ . 1 .]" 1
150 3 24 VAL MG2 3 29 GLY H 5.900 . 6.900 4.818 3.699 6.463 . 0 0 "[ . 1 .]" 1
151 3 20 PHE H 3 21 ALA MB 6.000 . 7.000 4.663 4.241 5.033 . 0 0 "[ . 1 .]" 1
152 3 19 PHE H 3 32 ILE MG 5.100 . 6.100 3.685 2.613 4.885 . 0 0 "[ . 1 .]" 1
153 3 17 LEU MD1 3 18 VAL H 4.700 . 5.700 4.468 2.289 5.174 . 0 0 "[ . 1 .]" 1
154 3 11 GLU H 3 42 ALA MB 6.000 . 7.000 5.579 5.012 6.667 . 0 0 "[ . 1 .]" 1
155 4 42 ALA H 4 42 ALA MB 3.300 . 4.300 2.844 2.661 2.949 . 0 0 "[ . 1 .]" 1
156 3 30 ALA MB 4 42 ALA H 4.600 . 5.600 4.120 3.606 4.507 . 0 0 "[ . 1 .]" 1
157 4 30 ALA H 4 30 ALA MB 3.400 . 4.400 2.587 2.282 2.869 . 0 0 "[ . 1 .]" 1
158 4 21 ALA MB 4 22 GLU H 4.400 . 5.400 3.365 2.264 3.715 . 0 0 "[ . 1 .]" 1
159 4 21 ALA MB 4 23 ASP H 5.100 . 6.100 4.741 3.131 5.809 . 0 0 "[ . 1 .]" 1
160 4 41 ILE H 4 42 ALA MB 4.100 . 5.100 4.206 3.963 4.690 . 0 0 "[ . 1 .]" 1
161 4 40 VAL MG1 4 41 ILE H 4.700 . 5.700 3.381 2.880 4.121 . 0 0 "[ . 1 .]" 1
162 3 30 ALA MB 4 40 VAL H 4.600 . 5.600 4.518 4.122 4.995 . 0 0 "[ . 1 .]" 1
163 3 31 ILE MG 4 40 VAL H 5.000 . 6.000 3.493 2.505 4.230 . 0 0 "[ . 1 .]" 1
164 3 36 VAL MG2 4 36 VAL H 5.600 . 6.600 3.609 3.222 4.423 . 0 0 "[ . 1 .]" 1
165 3 36 VAL MG1 4 34 LEU H 5.300 . 6.300 3.836 3.335 5.827 . 0 0 "[ . 1 .]" 1
166 2 42 ALA MB 4 32 ILE H 5.500 . 6.500 6.322 5.966 6.579 0.079 4 0 "[ . 1 .]" 1
167 3 39 VAL MG1 3 41 ILE MD 4.500 . 5.500 2.848 2.110 4.065 . 0 0 "[ . 1 .]" 1
168 3 39 VAL MG2 4 32 ILE MD 4.700 . 5.700 2.924 2.053 4.116 . 0 0 "[ . 1 .]" 1
169 3 24 VAL MG2 3 30 ALA MB 4.600 . 5.600 2.515 1.825 3.783 . 0 0 "[ . 1 .]" 1
170 3 21 ALA MB 3 30 ALA MB 3.700 . 4.700 2.638 1.899 3.733 . 0 0 "[ . 1 .]" 1
171 3 21 ALA MB 3 24 VAL MG2 4.600 . 5.600 3.382 1.884 4.691 . 0 0 "[ . 1 .]" 1
172 2 42 ALA MB 4 30 ALA MB 4.000 . 5.000 2.583 2.019 3.222 . 0 0 "[ . 1 .]" 1
173 4 30 ALA MB 4 32 ILE MG 3.800 . 4.800 3.686 2.885 4.649 . 0 0 "[ . 1 .]" 1
174 4 40 VAL MG1 4 42 ALA MB 4.600 . 5.600 3.818 2.758 5.146 . 0 0 "[ . 1 .]" 1
175 1 21 ALA H 1 32 ILE MD 4.300 . 5.300 4.674 3.439 5.303 0.003 2 0 "[ . 1 .]" 1
176 1 30 ALA H 1 31 ILE MD 4.400 . 5.400 4.535 3.246 5.393 . 0 0 "[ . 1 .]" 1
177 1 30 ALA H 2 41 ILE MD 4.400 . 5.400 4.477 4.147 4.917 . 0 0 "[ . 1 .]" 1
178 1 40 VAL QG 1 41 ILE H 4.500 . 5.500 2.974 2.673 3.125 . 0 0 "[ . 1 .]" 1
179 1 41 ILE H 2 32 ILE MD 5.300 . 6.300 4.881 4.269 5.243 . 0 0 "[ . 1 .]" 1
180 1 41 ILE H 1 41 ILE MD 4.300 . 5.300 3.184 2.021 3.461 . 0 0 "[ . 1 .]" 1
181 1 40 VAL H 1 41 ILE MD 5.400 . 6.400 4.969 3.851 5.365 . 0 0 "[ . 1 .]" 1
182 1 12 VAL QG 1 38 GLY H 4.800 . 5.800 4.348 3.480 5.331 . 0 0 "[ . 1 .]" 1
183 1 34 LEU QD 1 36 VAL H 5.400 . 6.400 5.151 4.279 6.094 . 0 0 "[ . 1 .]" 1
184 1 34 LEU QD 1 35 MET H 4.500 . 5.500 2.977 2.162 4.095 . 0 0 "[ . 1 .]" 1
185 1 35 MET H 2 36 VAL QG 5.000 . 6.000 3.489 2.690 4.234 . 0 0 "[ . 1 .]" 1
186 1 17 LEU QD 1 35 MET H 5.400 . 6.400 6.092 4.856 6.450 0.050 11 0 "[ . 1 .]" 1
187 1 17 LEU QD 1 34 LEU H 5.500 . 6.500 4.665 3.600 5.084 . 0 0 "[ . 1 .]" 1
188 1 18 VAL QG 1 32 ILE H 5.600 . 6.600 4.412 3.488 5.267 . 0 0 "[ . 1 .]" 1
189 1 31 ILE H 1 32 ILE MD 4.600 . 5.600 4.522 3.461 5.247 . 0 0 "[ . 1 .]" 1
190 1 31 ILE H 2 40 VAL QG 5.900 . 6.900 3.359 2.377 3.981 . 0 0 "[ . 1 .]" 1
191 1 18 VAL QG 1 19 PHE H 4.300 . 5.300 3.024 2.627 3.456 . 0 0 "[ . 1 .]" 1
192 1 17 LEU H 1 34 LEU QD 5.000 . 6.000 4.375 3.472 5.023 . 0 0 "[ . 1 .]" 1
193 1 15 GLN H 1 36 VAL QG 5.100 . 6.100 3.684 2.453 4.252 . 0 0 "[ . 1 .]" 1
194 1 12 VAL QG 1 13 HIS H 4.300 . 5.300 2.972 2.388 3.561 . 0 0 "[ . 1 .]" 1
195 1 11 GLU H 1 40 VAL QG 5.200 . 6.200 3.305 2.349 3.723 . 0 0 "[ . 1 .]" 1
196 1 31 ILE MD 2 42 ALA H 4.100 . 5.100 4.792 3.764 5.152 0.052 9 0 "[ . 1 .]" 1
197 2 41 ILE H 4 31 ILE MG 4.900 . 5.900 3.459 2.953 3.975 . 0 0 "[ . 1 .]" 1
198 2 40 VAL H 2 41 ILE MD 5.100 . 6.100 5.035 4.880 5.239 . 0 0 "[ . 1 .]" 1
199 2 40 VAL H 4 31 ILE MG 5.200 . 6.200 5.021 4.470 5.468 . 0 0 "[ . 1 .]" 1
200 2 39 VAL H 4 32 ILE MD 5.800 . 6.800 4.500 3.733 5.054 . 0 0 "[ . 1 .]" 1
201 1 31 ILE MG 2 38 GLY H 5.500 . 6.500 4.361 3.855 5.312 . 0 0 "[ . 1 .]" 1
202 2 36 VAL QG 2 37 GLY H 4.400 . 5.400 2.879 2.210 3.547 . 0 0 "[ . 1 .]" 1
203 1 34 LEU QD 2 37 GLY H 5.100 . 6.100 3.647 3.161 5.310 . 0 0 "[ . 1 .]" 1
204 1 36 VAL QG 2 37 GLY H 5.900 . 6.900 6.236 5.912 6.951 0.051 13 0 "[ . 1 .]" 1
205 1 34 LEU QD 2 36 VAL H 4.900 . 5.900 3.878 3.025 4.823 . 0 0 "[ . 1 .]" 1
206 2 34 LEU QD 2 35 MET H 5.000 . 6.000 2.964 2.122 3.637 . 0 0 "[ . 1 .]" 1
207 2 35 MET H 2 36 VAL QG 5.700 . 6.700 3.849 3.569 4.698 . 0 0 "[ . 1 .]" 1
208 2 32 ILE H 4 41 ILE MD 4.800 . 5.800 5.474 4.791 5.846 0.046 10 0 "[ . 1 .]" 1
209 2 31 ILE MG 2 32 ILE H 4.200 . 5.200 2.344 2.029 2.639 . 0 0 "[ . 1 .]" 1
210 1 40 VAL QG 2 32 ILE H 4.800 . 5.800 4.104 3.652 4.704 . 0 0 "[ . 1 .]" 1
211 2 30 ALA MB 2 31 ILE H 3.900 . 4.900 2.741 2.401 2.929 . 0 0 "[ . 1 .]" 1
212 1 41 ILE MD 2 31 ILE H 5.000 . 6.000 5.296 4.493 5.909 . 0 0 "[ . 1 .]" 1
213 1 40 VAL QG 2 31 ILE H 5.800 . 6.800 4.351 3.712 4.848 . 0 0 "[ . 1 .]" 1
214 1 41 ILE MD 2 30 ALA MB 4.000 . 5.000 2.503 1.872 3.214 . 0 0 "[ . 1 .]" 1
215 1 41 ILE MD 2 32 ILE MD 3.400 . 4.400 3.622 2.455 4.434 0.034 11 0 "[ . 1 .]" 1
216 1 36 VAL QG 2 32 ILE MD 4.300 . 5.300 5.366 5.335 5.394 0.094 7 0 "[ . 1 .]" 1
217 1 17 LEU QD 1 34 LEU MD1 3.600 . 4.600 3.273 2.052 4.433 . 0 0 "[ . 1 .]" 1
218 1 32 ILE MD 1 34 LEU MD2 4.600 . 5.600 3.513 2.343 4.507 . 0 0 "[ . 1 .]" 1
219 1 30 ALA MB 1 32 ILE MD 3.800 . 4.800 3.492 2.268 4.444 . 0 0 "[ . 1 .]" 1
220 1 21 ALA MB 1 32 ILE MD 4.800 . 5.800 4.021 2.942 4.859 . 0 0 "[ . 1 .]" 1
221 1 32 ILE MD 2 39 VAL MG1 3.500 . 4.500 2.349 1.880 3.309 . 0 0 "[ . 1 .]" 1
222 1 31 ILE MD 2 40 VAL MG1 4.000 . 5.000 2.833 1.955 3.594 . 0 0 "[ . 1 .]" 1
223 1 30 ALA MB 2 41 ILE MD 4.100 . 5.100 2.323 1.996 2.759 . 0 0 "[ . 1 .]" 1
224 1 18 VAL MG1 1 31 ILE MD 4.000 . 5.000 3.230 2.163 4.346 . 0 0 "[ . 1 .]" 1
225 1 12 VAL QG 1 39 VAL MG2 4.000 . 5.000 2.152 1.852 3.633 . 0 0 "[ . 1 .]" 1
226 2 42 ALA MB 4 31 ILE MD 4.500 . 5.500 5.194 4.581 5.558 0.058 10 0 "[ . 1 .]" 1
227 2 30 ALA MB 4 41 ILE MD 5.400 . 6.400 5.171 4.658 5.851 . 0 0 "[ . 1 .]" 1
228 2 41 ILE MD 4 31 ILE MD 3.100 . 4.100 2.582 2.219 3.150 . 0 0 "[ . 1 .]" 1
229 2 32 ILE MG 4 40 VAL QG 3.800 . 4.800 2.912 1.800 4.227 0.000 11 0 "[ . 1 .]" 1
230 1 40 VAL QG 2 31 ILE MD 4.400 . 5.400 2.140 1.802 2.742 . 0 0 "[ . 1 .]" 1
231 3 21 ALA H 3 32 ILE MD 4.300 . 5.300 4.673 3.439 5.302 0.002 2 0 "[ . 1 .]" 1
232 3 30 ALA H 3 31 ILE MD 4.400 . 5.400 4.536 3.244 5.391 . 0 0 "[ . 1 .]" 1
233 3 30 ALA H 4 41 ILE MD 4.400 . 5.400 4.477 4.144 4.909 . 0 0 "[ . 1 .]" 1
234 3 40 VAL QG 3 41 ILE H 4.500 . 5.500 2.975 2.676 3.125 . 0 0 "[ . 1 .]" 1
235 3 41 ILE H 4 32 ILE MD 5.300 . 6.300 4.879 4.273 5.243 . 0 0 "[ . 1 .]" 1
236 3 41 ILE H 3 41 ILE MD 4.300 . 5.300 3.183 2.024 3.462 . 0 0 "[ . 1 .]" 1
237 3 40 VAL H 3 41 ILE MD 5.400 . 6.400 4.970 3.861 5.369 . 0 0 "[ . 1 .]" 1
238 3 12 VAL QG 3 38 GLY H 4.800 . 5.800 4.348 3.480 5.324 . 0 0 "[ . 1 .]" 1
239 3 34 LEU QD 3 36 VAL H 5.400 . 6.400 5.150 4.277 6.099 . 0 0 "[ . 1 .]" 1
240 3 34 LEU QD 3 35 MET H 4.500 . 5.500 2.977 2.169 4.095 . 0 0 "[ . 1 .]" 1
241 3 35 MET H 4 36 VAL QG 5.000 . 6.000 3.488 2.692 4.232 . 0 0 "[ . 1 .]" 1
242 3 17 LEU QD 3 35 MET H 5.400 . 6.400 6.093 4.859 6.453 0.053 11 0 "[ . 1 .]" 1
243 3 17 LEU QD 3 34 LEU H 5.500 . 6.500 4.665 3.605 5.082 . 0 0 "[ . 1 .]" 1
244 3 18 VAL QG 3 32 ILE H 5.600 . 6.600 4.412 3.492 5.262 . 0 0 "[ . 1 .]" 1
245 3 31 ILE H 3 32 ILE MD 4.600 . 5.600 4.520 3.467 5.242 . 0 0 "[ . 1 .]" 1
246 3 31 ILE H 4 40 VAL QG 5.900 . 6.900 3.360 2.380 3.981 . 0 0 "[ . 1 .]" 1
247 3 18 VAL QG 3 19 PHE H 4.300 . 5.300 3.024 2.628 3.458 . 0 0 "[ . 1 .]" 1
248 3 17 LEU H 3 34 LEU QD 5.000 . 6.000 4.375 3.475 5.018 . 0 0 "[ . 1 .]" 1
249 3 15 GLN H 3 36 VAL QG 5.100 . 6.100 3.685 2.464 4.254 . 0 0 "[ . 1 .]" 1
250 3 12 VAL QG 3 13 HIS H 4.300 . 5.300 2.972 2.381 3.564 . 0 0 "[ . 1 .]" 1
251 3 11 GLU H 3 40 VAL QG 5.200 . 6.200 3.305 2.357 3.725 . 0 0 "[ . 1 .]" 1
252 3 31 ILE MD 4 42 ALA H 4.100 . 5.100 4.795 3.767 5.151 0.051 9 0 "[ . 1 .]" 1
253 2 31 ILE MG 4 41 ILE H 4.900 . 5.900 3.502 3.052 4.054 . 0 0 "[ . 1 .]" 1
254 4 40 VAL H 4 41 ILE MD 5.100 . 6.100 5.036 4.885 5.237 . 0 0 "[ . 1 .]" 1
255 2 31 ILE MG 4 40 VAL H 5.200 . 6.200 5.055 4.636 5.476 . 0 0 "[ . 1 .]" 1
256 2 32 ILE MD 4 39 VAL H 5.800 . 6.800 4.524 3.776 5.125 . 0 0 "[ . 1 .]" 1
257 2 34 LEU QD 4 38 GLY H 5.500 . 6.500 4.394 3.770 5.338 . 0 0 "[ . 1 .]" 1
258 4 36 VAL QG 4 37 GLY H 4.400 . 5.400 2.878 2.220 3.545 . 0 0 "[ . 1 .]" 1
259 2 34 LEU MD1 4 37 GLY H 5.100 . 6.100 3.657 3.133 5.325 . 0 0 "[ . 1 .]" 1
260 3 36 VAL QG 4 37 GLY H 5.900 . 6.900 6.236 5.917 6.949 0.049 13 0 "[ . 1 .]" 1
261 3 34 LEU QD 4 36 VAL H 4.900 . 5.900 3.878 3.029 4.819 . 0 0 "[ . 1 .]" 1
262 4 34 LEU QD 4 35 MET H 5.000 . 6.000 2.965 2.115 3.632 . 0 0 "[ . 1 .]" 1
263 2 36 VAL MG1 4 35 MET H 5.700 . 6.700 3.855 3.549 4.698 . 0 0 "[ . 1 .]" 1
264 2 41 ILE MD 4 32 ILE H 4.800 . 5.800 5.428 4.770 5.820 0.020 2 0 "[ . 1 .]" 1
265 4 31 ILE MG 4 32 ILE H 4.200 . 5.200 2.344 2.032 2.644 . 0 0 "[ . 1 .]" 1
266 2 40 VAL MG1 4 32 ILE H 4.800 . 5.800 4.102 3.640 4.703 . 0 0 "[ . 1 .]" 1
267 2 42 ALA MB 4 31 ILE H 3.900 . 4.900 2.743 2.343 2.907 . 0 0 "[ . 1 .]" 1
268 3 41 ILE MD 4 31 ILE H 5.000 . 6.000 5.293 4.499 5.909 . 0 0 "[ . 1 .]" 1
269 2 40 VAL MG1 4 31 ILE H 5.800 . 6.800 4.354 3.653 4.852 . 0 0 "[ . 1 .]" 1
270 3 41 ILE MD 4 30 ALA MB 4.000 . 5.000 2.501 1.872 3.214 . 0 0 "[ . 1 .]" 1
271 3 41 ILE MD 4 32 ILE MD 3.400 . 4.400 3.619 2.452 4.429 0.029 11 0 "[ . 1 .]" 1
272 3 36 VAL QG 4 32 ILE MD 4.300 . 5.300 5.366 5.336 5.395 0.095 2 0 "[ . 1 .]" 1
273 3 17 LEU QD 3 34 LEU MD1 3.600 . 4.600 3.273 2.059 4.433 . 0 0 "[ . 1 .]" 1
274 3 32 ILE MD 3 34 LEU MD2 4.600 . 5.600 3.513 2.345 4.508 . 0 0 "[ . 1 .]" 1
275 3 30 ALA MB 3 32 ILE MD 3.800 . 4.800 3.490 2.267 4.449 . 0 0 "[ . 1 .]" 1
276 3 21 ALA MB 3 32 ILE MD 4.800 . 5.800 4.020 2.933 4.855 . 0 0 "[ . 1 .]" 1
277 3 32 ILE MD 4 39 VAL MG1 3.500 . 4.500 2.348 1.874 3.309 . 0 0 "[ . 1 .]" 1
278 3 31 ILE MD 4 40 VAL MG1 4.000 . 5.000 2.834 1.958 3.596 . 0 0 "[ . 1 .]" 1
279 3 30 ALA MB 4 41 ILE MD 4.100 . 5.100 2.323 1.991 2.763 . 0 0 "[ . 1 .]" 1
280 3 18 VAL MG1 3 31 ILE MD 4.000 . 5.000 3.231 2.165 4.339 . 0 0 "[ . 1 .]" 1
281 3 12 VAL QG 3 39 VAL MG2 4.000 . 5.000 2.153 1.853 3.630 . 0 0 "[ . 1 .]" 1
282 2 31 ILE MD 4 42 ALA MB 4.500 . 5.500 5.179 4.601 5.528 0.028 14 0 "[ . 1 .]" 1
283 2 41 ILE MD 4 30 ALA MB 5.400 . 6.400 5.129 4.633 5.805 . 0 0 "[ . 1 .]" 1
284 2 31 ILE MD 4 41 ILE MD 3.100 . 4.100 2.607 2.265 3.085 . 0 0 "[ . 1 .]" 1
285 2 40 VAL QG 4 32 ILE MG 3.800 . 4.800 2.897 1.812 4.206 . 0 0 "[ . 1 .]" 1
286 3 40 VAL QG 4 31 ILE MD 4.400 . 5.400 2.140 1.802 2.738 . 0 0 "[ . 1 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 125
_Distance_constraint_stats_list.Viol_count 22
_Distance_constraint_stats_list.Viol_total 199.114
_Distance_constraint_stats_list.Viol_max 3.398
_Distance_constraint_stats_list.Viol_rms 0.1139
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0071
_Distance_constraint_stats_list.Viol_average_violations_only 0.6034
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 11 GLU 0.023 0.023 15 0 "[ . 1 .]"
1 13 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 15 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 17 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 19 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 21 ALA 0.012 0.012 12 0 "[ . 1 .]"
1 29 GLY 13.115 3.398 13 10 "[* *. ***-**+*.]"
1 30 ALA 0.012 0.012 12 0 "[ . 1 .]"
1 31 ILE 0.008 0.008 9 0 "[ . 1 .]"
1 32 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 34 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 35 MET 0.000 0.000 . 0 "[ . 1 .]"
1 36 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 39 VAL 0.015 0.012 4 0 "[ . 1 .]"
1 40 VAL 0.023 0.023 15 0 "[ . 1 .]"
1 41 ILE 0.028 0.028 7 0 "[ . 1 .]"
2 30 ALA 0.028 0.028 7 0 "[ . 1 .]"
2 31 ILE 0.000 0.000 . 0 "[ . 1 .]"
2 32 ILE 0.015 0.012 4 0 "[ . 1 .]"
2 33 GLY 0.000 0.000 . 0 "[ . 1 .]"
2 34 LEU 0.000 0.000 . 0 "[ . 1 .]"
2 35 MET 0.000 0.000 . 0 "[ . 1 .]"
2 36 VAL 0.000 0.000 . 0 "[ . 1 .]"
2 37 GLY 0.000 0.000 . 0 "[ . 1 .]"
2 38 GLY 0.000 0.000 . 0 "[ . 1 .]"
2 39 VAL 0.000 0.000 . 0 "[ . 1 .]"
2 40 VAL 0.008 0.008 9 0 "[ . 1 .]"
2 41 ILE 0.000 0.000 . 0 "[ . 1 .]"
2 42 ALA 13.115 3.398 13 10 "[* *. ***-**+*.]"
3 11 GLU 0.022 0.022 15 0 "[ . 1 .]"
3 13 HIS 0.000 0.000 . 0 "[ . 1 .]"
3 15 GLN 0.000 0.000 . 0 "[ . 1 .]"
3 17 LEU 0.000 0.000 . 0 "[ . 1 .]"
3 19 PHE 0.000 0.000 . 0 "[ . 1 .]"
3 21 ALA 0.008 0.008 12 0 "[ . 1 .]"
3 29 GLY 0.000 0.000 . 0 "[ . 1 .]"
3 30 ALA 0.008 0.008 12 0 "[ . 1 .]"
3 31 ILE 0.004 0.004 9 0 "[ . 1 .]"
3 32 ILE 0.000 0.000 . 0 "[ . 1 .]"
3 33 GLY 0.000 0.000 . 0 "[ . 1 .]"
3 34 LEU 0.000 0.000 . 0 "[ . 1 .]"
3 35 MET 0.000 0.000 . 0 "[ . 1 .]"
3 36 VAL 0.000 0.000 . 0 "[ . 1 .]"
3 37 GLY 0.000 0.000 . 0 "[ . 1 .]"
3 38 GLY 0.000 0.000 . 0 "[ . 1 .]"
3 39 VAL 0.020 0.014 4 0 "[ . 1 .]"
3 40 VAL 0.022 0.022 15 0 "[ . 1 .]"
3 41 ILE 0.019 0.019 7 0 "[ . 1 .]"
4 30 ALA 0.019 0.019 7 0 "[ . 1 .]"
4 31 ILE 0.000 0.000 . 0 "[ . 1 .]"
4 32 ILE 0.020 0.014 4 0 "[ . 1 .]"
4 33 GLY 0.000 0.000 . 0 "[ . 1 .]"
4 34 LEU 0.000 0.000 . 0 "[ . 1 .]"
4 35 MET 0.000 0.000 . 0 "[ . 1 .]"
4 36 VAL 0.000 0.000 . 0 "[ . 1 .]"
4 37 GLY 0.000 0.000 . 0 "[ . 1 .]"
4 38 GLY 0.000 0.000 . 0 "[ . 1 .]"
4 39 VAL 0.000 0.000 . 0 "[ . 1 .]"
4 40 VAL 0.004 0.004 9 0 "[ . 1 .]"
4 41 ILE 0.000 0.000 . 0 "[ . 1 .]"
4 42 ALA 0.000 0.000 . 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 21 ALA O 1 30 ALA N 2.800 2.600 3.300 2.782 2.693 2.967 . 0 0 "[ . 1 .]" 2
2 1 21 ALA O 1 30 ALA H 1.800 . 2.300 1.822 1.720 2.060 . 0 0 "[ . 1 .]" 2
3 1 21 ALA N 1 30 ALA O 2.800 2.600 3.300 2.833 2.671 3.276 . 0 0 "[ . 1 .]" 2
4 1 21 ALA H 1 30 ALA O 1.800 . 2.300 1.875 1.697 2.312 0.012 12 0 "[ . 1 .]" 2
5 1 19 PHE O 1 32 ILE N 2.800 2.600 3.300 2.821 2.651 3.097 . 0 0 "[ . 1 .]" 2
6 1 19 PHE O 1 32 ILE H 1.800 . 2.300 1.846 1.665 2.123 . 0 0 "[ . 1 .]" 2
7 1 19 PHE N 1 32 ILE O 2.800 2.600 3.300 2.820 2.737 3.127 . 0 0 "[ . 1 .]" 2
8 1 19 PHE H 1 32 ILE O 1.800 . 2.300 1.851 1.767 2.198 . 0 0 "[ . 1 .]" 2
9 1 17 LEU O 1 34 LEU N 2.800 2.600 3.300 2.777 2.693 2.949 . 0 0 "[ . 1 .]" 2
10 1 17 LEU O 1 34 LEU H 1.800 . 2.300 1.816 1.709 2.032 . 0 0 "[ . 1 .]" 2
11 1 17 LEU N 1 34 LEU O 2.800 2.600 3.300 2.759 2.648 2.859 . 0 0 "[ . 1 .]" 2
12 1 17 LEU H 1 34 LEU O 1.800 . 2.300 1.796 1.689 1.906 . 0 0 "[ . 1 .]" 2
13 1 15 GLN O 1 36 VAL N 2.800 2.600 3.300 2.791 2.659 3.092 . 0 0 "[ . 1 .]" 2
14 1 15 GLN O 1 36 VAL H 1.800 . 2.300 1.829 1.681 2.247 . 0 0 "[ . 1 .]" 2
15 1 15 GLN N 1 36 VAL O 2.800 2.600 3.300 2.816 2.717 2.913 . 0 0 "[ . 1 .]" 2
16 1 15 GLN H 1 36 VAL O 1.800 . 2.300 1.862 1.757 1.976 . 0 0 "[ . 1 .]" 2
17 1 13 HIS O 1 38 GLY N 2.800 2.600 3.300 2.739 2.669 2.895 . 0 0 "[ . 1 .]" 2
18 1 13 HIS O 1 38 GLY H 1.800 . 2.300 1.771 1.693 1.932 . 0 0 "[ . 1 .]" 2
19 1 13 HIS N 1 38 GLY O 2.800 2.600 3.300 2.816 2.686 3.166 . 0 0 "[ . 1 .]" 2
20 1 13 HIS H 1 38 GLY O 1.800 . 2.300 1.850 1.700 2.237 . 0 0 "[ . 1 .]" 2
21 1 11 GLU O 1 40 VAL N 2.800 2.600 3.300 2.829 2.704 3.200 . 0 0 "[ . 1 .]" 2
22 1 11 GLU O 1 40 VAL H 1.800 . 2.300 1.869 1.721 2.278 . 0 0 "[ . 1 .]" 2
23 1 11 GLU N 1 40 VAL O 2.800 2.600 3.300 2.861 2.693 3.225 . 0 0 "[ . 1 .]" 2
24 1 11 GLU H 1 40 VAL O 1.800 . 2.300 1.929 1.759 2.323 0.023 15 0 "[ . 1 .]" 2
25 1 29 GLY N 2 42 ALA O 2.800 2.600 3.300 3.989 2.660 6.698 3.398 13 10 "[* *. ***-**+*.]" 2
26 1 29 GLY O 2 42 ALA N 2.800 2.600 3.300 2.742 2.667 2.843 . 0 0 "[ . 1 .]" 2
27 1 29 GLY O 2 42 ALA H 1.800 . 2.300 1.806 1.712 1.927 . 0 0 "[ . 1 .]" 2
28 1 31 ILE N 2 40 VAL O 2.800 2.600 3.300 2.858 2.708 3.155 . 0 0 "[ . 1 .]" 2
29 1 31 ILE H 2 40 VAL O 1.800 . 2.300 1.902 1.749 2.199 . 0 0 "[ . 1 .]" 2
30 1 31 ILE O 2 40 VAL N 2.800 2.600 3.300 2.921 2.715 3.268 . 0 0 "[ . 1 .]" 2
31 1 31 ILE O 2 40 VAL H 1.800 . 2.300 1.960 1.759 2.308 0.008 9 0 "[ . 1 .]" 2
32 1 33 GLY N 2 38 GLY O 2.800 2.600 3.300 2.877 2.758 2.974 . 0 0 "[ . 1 .]" 2
33 1 33 GLY H 2 38 GLY O 1.800 . 2.300 1.909 1.774 1.999 . 0 0 "[ . 1 .]" 2
34 1 33 GLY O 2 38 GLY N 2.800 2.600 3.300 2.812 2.749 2.873 . 0 0 "[ . 1 .]" 2
35 1 33 GLY O 2 38 GLY H 1.800 . 2.300 1.864 1.783 1.940 . 0 0 "[ . 1 .]" 2
36 1 35 MET N 2 36 VAL O 2.800 2.600 3.300 2.764 2.686 2.929 . 0 0 "[ . 1 .]" 2
37 1 35 MET H 2 36 VAL O 1.800 . 2.300 1.800 1.708 2.003 . 0 0 "[ . 1 .]" 2
38 1 35 MET O 2 36 VAL N 2.800 2.600 3.300 2.837 2.686 2.989 . 0 0 "[ . 1 .]" 2
39 1 35 MET O 2 36 VAL H 1.800 . 2.300 1.860 1.722 2.011 . 0 0 "[ . 1 .]" 2
40 1 37 GLY N 2 34 LEU O 2.800 2.600 3.300 2.863 2.797 2.953 . 0 0 "[ . 1 .]" 2
41 1 37 GLY H 2 34 LEU O 1.800 . 2.300 1.898 1.820 1.985 . 0 0 "[ . 1 .]" 2
42 1 37 GLY O 2 34 LEU N 2.800 2.600 3.300 2.730 2.670 2.825 . 0 0 "[ . 1 .]" 2
43 1 37 GLY O 2 34 LEU H 1.800 . 2.300 1.760 1.691 1.869 . 0 0 "[ . 1 .]" 2
44 1 39 VAL N 2 32 ILE O 2.800 2.600 3.300 2.870 2.719 3.050 . 0 0 "[ . 1 .]" 2
45 1 39 VAL H 2 32 ILE O 1.800 . 2.300 1.973 1.767 2.303 0.003 3 0 "[ . 1 .]" 2
46 1 39 VAL O 2 32 ILE N 2.800 2.600 3.300 3.052 2.835 3.284 . 0 0 "[ . 1 .]" 2
47 1 39 VAL O 2 32 ILE H 1.800 . 2.300 2.085 1.858 2.312 0.012 4 0 "[ . 1 .]" 2
48 1 41 ILE N 2 30 ALA O 2.800 2.600 3.300 2.768 2.702 2.902 . 0 0 "[ . 1 .]" 2
49 1 41 ILE H 2 30 ALA O 1.800 . 2.300 1.809 1.718 1.919 . 0 0 "[ . 1 .]" 2
50 1 41 ILE O 2 30 ALA N 2.800 2.600 3.300 2.863 2.652 3.298 . 0 0 "[ . 1 .]" 2
51 1 41 ILE O 2 30 ALA H 1.800 . 2.300 1.936 1.703 2.328 0.028 7 0 "[ . 1 .]" 2
52 2 41 ILE O 4 31 ILE N 2.800 2.600 3.300 2.923 2.700 3.209 . 0 0 "[ . 1 .]" 2
53 2 41 ILE O 4 31 ILE H 1.800 . 2.300 1.971 1.729 2.235 . 0 0 "[ . 1 .]" 2
54 2 41 ILE N 4 31 ILE O 2.800 2.600 3.300 2.748 2.665 2.901 . 0 0 "[ . 1 .]" 2
55 2 41 ILE H 4 31 ILE O 1.800 . 2.300 1.805 1.735 1.922 . 0 0 "[ . 1 .]" 2
56 2 39 VAL O 4 33 GLY N 2.800 2.600 3.300 2.811 2.725 3.026 . 0 0 "[ . 1 .]" 2
57 2 39 VAL O 4 33 GLY H 1.800 . 2.300 1.867 1.768 2.070 . 0 0 "[ . 1 .]" 2
58 2 39 VAL N 4 33 GLY O 2.800 2.600 3.300 2.757 2.675 2.879 . 0 0 "[ . 1 .]" 2
59 2 39 VAL H 4 33 GLY O 1.800 . 2.300 1.792 1.708 1.927 . 0 0 "[ . 1 .]" 2
60 2 37 GLY O 4 35 MET N 2.800 2.600 3.300 2.754 2.673 2.915 . 0 0 "[ . 1 .]" 2
61 2 37 GLY O 4 35 MET H 1.800 . 2.300 1.789 1.699 1.939 . 0 0 "[ . 1 .]" 2
62 2 37 GLY N 4 35 MET O 2.800 2.600 3.300 2.780 2.697 2.921 . 0 0 "[ . 1 .]" 2
63 2 37 GLY H 4 35 MET O 1.800 . 2.300 1.833 1.759 1.970 . 0 0 "[ . 1 .]" 2
64 2 35 MET O 4 37 GLY N 2.800 2.600 3.300 2.789 2.716 2.902 . 0 0 "[ . 1 .]" 2
65 2 35 MET O 4 37 GLY H 1.800 . 2.300 1.835 1.761 1.944 . 0 0 "[ . 1 .]" 2
66 2 35 MET N 4 37 GLY O 2.800 2.600 3.300 2.752 2.665 2.965 . 0 0 "[ . 1 .]" 2
67 2 35 MET H 4 37 GLY O 1.800 . 2.300 1.788 1.683 1.984 . 0 0 "[ . 1 .]" 2
68 2 33 GLY O 4 39 VAL N 2.800 2.600 3.300 2.782 2.678 2.880 . 0 0 "[ . 1 .]" 2
69 2 33 GLY O 4 39 VAL H 1.800 . 2.300 1.813 1.710 1.927 . 0 0 "[ . 1 .]" 2
70 2 33 GLY N 4 39 VAL O 2.800 2.600 3.300 2.829 2.725 2.973 . 0 0 "[ . 1 .]" 2
71 2 33 GLY H 4 39 VAL O 1.800 . 2.300 1.891 1.794 2.090 . 0 0 "[ . 1 .]" 2
72 2 31 ILE O 4 41 ILE N 2.800 2.600 3.300 2.770 2.683 2.900 . 0 0 "[ . 1 .]" 2
73 2 31 ILE O 4 41 ILE H 1.800 . 2.300 1.818 1.701 1.937 . 0 0 "[ . 1 .]" 2
74 2 31 ILE N 4 41 ILE O 2.800 2.600 3.300 2.958 2.709 3.209 . 0 0 "[ . 1 .]" 2
75 2 31 ILE H 4 41 ILE O 1.800 . 2.300 2.002 1.729 2.245 . 0 0 "[ . 1 .]" 2
76 3 21 ALA O 3 30 ALA N 2.800 2.600 3.300 2.780 2.692 2.956 . 0 0 "[ . 1 .]" 2
77 3 21 ALA O 3 30 ALA H 1.800 . 2.300 1.820 1.721 2.051 . 0 0 "[ . 1 .]" 2
78 3 21 ALA N 3 30 ALA O 2.800 2.600 3.300 2.832 2.669 3.273 . 0 0 "[ . 1 .]" 2
79 3 21 ALA H 3 30 ALA O 1.800 . 2.300 1.875 1.693 2.308 0.008 12 0 "[ . 1 .]" 2
80 3 19 PHE O 3 32 ILE N 2.800 2.600 3.300 2.821 2.650 3.096 . 0 0 "[ . 1 .]" 2
81 3 19 PHE O 3 32 ILE H 1.800 . 2.300 1.846 1.664 2.125 . 0 0 "[ . 1 .]" 2
82 3 19 PHE N 3 32 ILE O 2.800 2.600 3.300 2.820 2.737 3.133 . 0 0 "[ . 1 .]" 2
83 3 19 PHE H 3 32 ILE O 1.800 . 2.300 1.851 1.765 2.203 . 0 0 "[ . 1 .]" 2
84 3 17 LEU O 3 34 LEU N 2.800 2.600 3.300 2.777 2.692 2.951 . 0 0 "[ . 1 .]" 2
85 3 17 LEU O 3 34 LEU H 1.800 . 2.300 1.815 1.707 2.032 . 0 0 "[ . 1 .]" 2
86 3 17 LEU N 3 34 LEU O 2.800 2.600 3.300 2.760 2.650 2.861 . 0 0 "[ . 1 .]" 2
87 3 17 LEU H 3 34 LEU O 1.800 . 2.300 1.797 1.691 1.910 . 0 0 "[ . 1 .]" 2
88 3 15 GLN O 3 36 VAL N 2.800 2.600 3.300 2.791 2.658 3.097 . 0 0 "[ . 1 .]" 2
89 3 15 GLN O 3 36 VAL H 1.800 . 2.300 1.829 1.680 2.253 . 0 0 "[ . 1 .]" 2
90 3 15 GLN N 3 36 VAL O 2.800 2.600 3.300 2.816 2.716 2.919 . 0 0 "[ . 1 .]" 2
91 3 15 GLN H 3 36 VAL O 1.800 . 2.300 1.863 1.756 1.967 . 0 0 "[ . 1 .]" 2
92 3 13 HIS O 3 38 GLY N 2.800 2.600 3.300 2.739 2.666 2.893 . 0 0 "[ . 1 .]" 2
93 3 13 HIS O 3 38 GLY H 1.800 . 2.300 1.772 1.703 1.931 . 0 0 "[ . 1 .]" 2
94 3 13 HIS N 3 38 GLY O 2.800 2.600 3.300 2.815 2.689 3.166 . 0 0 "[ . 1 .]" 2
95 3 13 HIS H 3 38 GLY O 1.800 . 2.300 1.850 1.704 2.238 . 0 0 "[ . 1 .]" 2
96 3 11 GLU O 3 40 VAL N 2.800 2.600 3.300 2.827 2.703 3.203 . 0 0 "[ . 1 .]" 2
97 3 11 GLU O 3 40 VAL H 1.800 . 2.300 1.867 1.721 2.280 . 0 0 "[ . 1 .]" 2
98 3 11 GLU N 3 40 VAL O 2.800 2.600 3.300 2.861 2.694 3.222 . 0 0 "[ . 1 .]" 2
99 3 11 GLU H 3 40 VAL O 1.800 . 2.300 1.929 1.759 2.322 0.022 15 0 "[ . 1 .]" 2
100 3 29 GLY O 4 42 ALA N 2.800 2.600 3.300 2.742 2.664 2.839 . 0 0 "[ . 1 .]" 2
101 3 29 GLY O 4 42 ALA H 1.800 . 2.300 1.805 1.715 1.926 . 0 0 "[ . 1 .]" 2
102 3 31 ILE N 4 40 VAL O 2.800 2.600 3.300 2.859 2.709 3.153 . 0 0 "[ . 1 .]" 2
103 3 31 ILE H 4 40 VAL O 1.800 . 2.300 1.904 1.749 2.199 . 0 0 "[ . 1 .]" 2
104 3 31 ILE O 4 40 VAL N 2.800 2.600 3.300 2.922 2.711 3.266 . 0 0 "[ . 1 .]" 2
105 3 31 ILE O 4 40 VAL H 1.800 . 2.300 1.960 1.753 2.304 0.004 9 0 "[ . 1 .]" 2
106 3 33 GLY N 4 38 GLY O 2.800 2.600 3.300 2.878 2.762 2.974 . 0 0 "[ . 1 .]" 2
107 3 33 GLY H 4 38 GLY O 1.800 . 2.300 1.910 1.777 1.998 . 0 0 "[ . 1 .]" 2
108 3 33 GLY O 4 38 GLY N 2.800 2.600 3.300 2.812 2.750 2.873 . 0 0 "[ . 1 .]" 2
109 3 33 GLY O 4 38 GLY H 1.800 . 2.300 1.865 1.783 1.944 . 0 0 "[ . 1 .]" 2
110 3 35 MET N 4 36 VAL O 2.800 2.600 3.300 2.765 2.687 2.929 . 0 0 "[ . 1 .]" 2
111 3 35 MET H 4 36 VAL O 1.800 . 2.300 1.800 1.707 2.003 . 0 0 "[ . 1 .]" 2
112 3 35 MET O 4 36 VAL N 2.800 2.600 3.300 2.838 2.690 2.989 . 0 0 "[ . 1 .]" 2
113 3 35 MET O 4 36 VAL H 1.800 . 2.300 1.861 1.726 2.006 . 0 0 "[ . 1 .]" 2
114 3 37 GLY N 4 34 LEU O 2.800 2.600 3.300 2.863 2.801 2.956 . 0 0 "[ . 1 .]" 2
115 3 37 GLY H 4 34 LEU O 1.800 . 2.300 1.899 1.827 1.989 . 0 0 "[ . 1 .]" 2
116 3 37 GLY O 4 34 LEU N 2.800 2.600 3.300 2.730 2.664 2.823 . 0 0 "[ . 1 .]" 2
117 3 37 GLY O 4 34 LEU H 1.800 . 2.300 1.761 1.690 1.868 . 0 0 "[ . 1 .]" 2
118 3 39 VAL N 4 32 ILE O 2.800 2.600 3.300 2.869 2.713 3.053 . 0 0 "[ . 1 .]" 2
119 3 39 VAL H 4 32 ILE O 1.800 . 2.300 1.974 1.761 2.306 0.006 3 0 "[ . 1 .]" 2
120 3 39 VAL O 4 32 ILE N 2.800 2.600 3.300 3.049 2.833 3.286 . 0 0 "[ . 1 .]" 2
121 3 39 VAL O 4 32 ILE H 1.800 . 2.300 2.082 1.855 2.314 0.014 4 0 "[ . 1 .]" 2
122 3 41 ILE N 4 30 ALA O 2.800 2.600 3.300 2.768 2.700 2.903 . 0 0 "[ . 1 .]" 2
123 3 41 ILE H 4 30 ALA O 1.800 . 2.300 1.810 1.716 1.920 . 0 0 "[ . 1 .]" 2
124 3 41 ILE O 4 30 ALA N 2.800 2.600 3.300 2.860 2.655 3.289 . 0 0 "[ . 1 .]" 2
125 3 41 ILE O 4 30 ALA H 1.800 . 2.300 1.932 1.705 2.319 0.019 7 0 "[ . 1 .]" 2
stop_
save_
Contact the webmaster for help, if required. Wednesday, May 15, 2024 8:30:37 PM GMT (wattos1)