NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
589479 |
2mv7   |
19516 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mv7
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 877
_Distance_constraint_stats_list.Viol_count 843
_Distance_constraint_stats_list.Viol_total 599.196
_Distance_constraint_stats_list.Viol_max 0.388
_Distance_constraint_stats_list.Viol_rms 0.0276
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0068
_Distance_constraint_stats_list.Viol_average_violations_only 0.0711
_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 2 LYS 0.616 0.134 9 0 "[ . 1]"
1 3 ALA 0.548 0.134 9 0 "[ . 1]"
1 4 TYR 1.410 0.141 7 0 "[ . 1]"
1 5 LEU 0.222 0.136 3 0 "[ . 1]"
1 6 ASP 0.014 0.008 9 0 "[ . 1]"
1 7 GLU 0.395 0.086 3 0 "[ . 1]"
1 8 LEU 0.948 0.124 8 0 "[ . 1]"
1 9 VAL 1.201 0.125 3 0 "[ . 1]"
1 10 GLU 0.678 0.099 6 0 "[ . 1]"
1 11 LEU 0.125 0.063 9 0 "[ . 1]"
1 12 HIS 2.025 0.184 10 0 "[ . 1]"
1 13 ARG 1.956 0.305 8 0 "[ . 1]"
1 14 ARG 0.042 0.042 7 0 "[ . 1]"
1 15 LEU 0.731 0.138 3 0 "[ . 1]"
1 16 MET 1.516 0.206 1 0 "[ . 1]"
1 17 THR 0.256 0.042 3 0 "[ . 1]"
1 18 LEU 2.313 0.206 1 0 "[ . 1]"
1 19 ARG 0.215 0.140 10 0 "[ . 1]"
1 20 GLU 0.416 0.113 8 0 "[ . 1]"
1 21 ARG 0.450 0.216 6 0 "[ . 1]"
1 22 HIS 0.483 0.122 3 0 "[ . 1]"
1 23 ILE 4.250 0.179 7 0 "[ . 1]"
1 24 LEU 2.342 0.179 7 0 "[ . 1]"
1 25 GLN 0.777 0.139 9 0 "[ . 1]"
1 26 GLN 1.205 0.109 2 0 "[ . 1]"
1 27 ILE 2.135 0.189 2 0 "[ . 1]"
1 28 VAL 3.667 0.247 3 0 "[ . 1]"
1 29 ASN 0.059 0.018 6 0 "[ . 1]"
1 30 LEU 2.672 0.214 10 0 "[ . 1]"
1 31 ILE 3.384 0.210 6 0 "[ . 1]"
1 32 GLU 1.359 0.210 6 0 "[ . 1]"
1 33 GLU 1.121 0.214 10 0 "[ . 1]"
1 34 THR 0.000 0.000 . 0 "[ . 1]"
1 35 GLY 0.185 0.185 2 0 "[ . 1]"
1 36 HIS 0.300 0.185 2 0 "[ . 1]"
1 37 PHE 0.572 0.088 8 0 "[ . 1]"
1 38 HIS 0.000 0.000 . 0 "[ . 1]"
1 39 ILE 3.247 0.388 8 0 "[ . 1]"
1 40 THR 0.246 0.058 1 0 "[ . 1]"
1 41 ASN 0.246 0.053 2 0 "[ . 1]"
1 42 THR 0.834 0.205 7 0 "[ . 1]"
1 43 THR 1.407 0.109 1 0 "[ . 1]"
1 44 PHE 1.485 0.114 8 0 "[ . 1]"
1 45 ASP 0.000 0.000 . 0 "[ . 1]"
1 46 PHE 0.552 0.115 3 0 "[ . 1]"
1 47 ASP 2.567 0.200 3 0 "[ . 1]"
1 48 LEU 4.192 0.200 3 0 "[ . 1]"
1 49 CYS 1.583 0.160 5 0 "[ . 1]"
1 50 SER 0.525 0.096 3 0 "[ . 1]"
1 51 LEU 2.048 0.217 8 0 "[ . 1]"
1 52 ASP 1.132 0.118 3 0 "[ . 1]"
1 53 LYS 2.061 0.118 3 0 "[ . 1]"
1 54 THR 2.428 0.197 7 0 "[ . 1]"
1 55 THR 0.383 0.064 4 0 "[ . 1]"
1 56 VAL 0.675 0.093 8 0 "[ . 1]"
1 57 ARG 1.427 0.154 9 0 "[ . 1]"
1 58 LYS 0.488 0.104 5 0 "[ . 1]"
1 59 LEU 0.129 0.082 10 0 "[ . 1]"
1 60 GLN 1.365 0.217 8 0 "[ . 1]"
1 61 SER 0.793 0.154 9 0 "[ . 1]"
1 62 TYR 2.298 0.189 2 0 "[ . 1]"
1 63 LEU 0.547 0.115 3 0 "[ . 1]"
1 64 GLU 0.933 0.238 10 0 "[ . 1]"
1 65 THR 0.379 0.238 10 0 "[ . 1]"
1 66 SER 0.007 0.007 10 0 "[ . 1]"
1 67 GLY 0.000 0.000 . 0 "[ . 1]"
1 68 THR 0.203 0.203 4 0 "[ . 1]"
1 69 SER 0.000 0.000 . 0 "[ . 1]"
2 2 ASN 0.668 0.202 9 0 "[ . 1]"
2 3 LYS 3.062 0.230 8 0 "[ . 1]"
2 4 LEU 7.508 0.223 4 0 "[ . 1]"
2 5 PRO 2.856 0.223 4 0 "[ . 1]"
2 6 VAL 2.002 0.198 10 0 "[ . 1]"
2 7 SER 1.068 0.115 3 0 "[ . 1]"
2 8 ILE 2.993 0.247 3 0 "[ . 1]"
2 9 PRO 0.111 0.079 6 0 "[ . 1]"
2 10 LEU 1.811 0.148 6 0 "[ . 1]"
2 11 ALA 0.916 0.148 6 0 "[ . 1]"
2 12 SER 0.000 0.000 . 0 "[ . 1]"
2 13 VAL 2.700 0.145 6 0 "[ . 1]"
2 14 VAL 3.234 0.175 7 0 "[ . 1]"
2 15 LEU 2.933 0.388 8 0 "[ . 1]"
2 16 PRO 1.850 0.205 1 0 "[ . 1]"
2 17 SER 0.000 0.000 . 0 "[ . 1]"
2 18 ARG 0.001 0.001 9 0 "[ . 1]"
2 19 ALA 0.001 0.001 9 0 "[ . 1]"
2 20 GLU 0.063 0.061 8 0 "[ . 1]"
2 21 ARG 0.000 0.000 . 0 "[ . 1]"
2 22 ALA 0.000 0.000 . 0 "[ . 1]"
2 23 ARG 0.000 0.000 . 0 "[ . 1]"
2 24 SER 0.000 0.000 . 0 "[ . 1]"
2 25 THR 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 2 LYS H 1 2 LYS QB 1.800 . 2.800 2.482 2.289 2.546 . 0 0 "[ . 1]" 1
2 1 2 LYS H 1 2 LYS QG 1.800 . 4.200 2.473 1.946 4.096 . 0 0 "[ . 1]" 1
3 1 2 LYS H 1 3 ALA H 1.800 . 3.300 2.457 1.785 2.726 0.015 9 0 "[ . 1]" 1
4 1 2 LYS HA 1 2 LYS QB 1.800 . 2.800 2.353 2.317 2.423 . 0 0 "[ . 1]" 1
5 1 2 LYS HA 1 2 LYS QD 1.800 . 4.200 3.745 2.233 4.040 . 0 0 "[ . 1]" 1
6 1 2 LYS HA 1 2 LYS QG 1.800 . 2.800 2.424 2.272 2.868 0.068 1 0 "[ . 1]" 1
7 1 2 LYS HA 1 3 ALA H 1.800 . 3.300 3.350 3.309 3.434 0.134 9 0 "[ . 1]" 1
8 1 2 LYS HA 1 5 LEU H 1.800 . 4.200 3.813 3.592 4.039 . 0 0 "[ . 1]" 1
9 1 2 LYS HA 1 5 LEU MD2 1.800 . 4.200 3.507 2.953 4.007 . 0 0 "[ . 1]" 1
10 1 2 LYS QB 1 2 LYS QG 1.800 . 2.800 2.098 2.040 2.108 . 0 0 "[ . 1]" 1
11 1 2 LYS QB 1 3 ALA H 1.800 . 3.300 3.216 2.979 3.313 0.013 1 0 "[ . 1]" 1
12 1 2 LYS QD 1 2 LYS QE 1.800 . 3.300 2.049 1.991 2.107 . 0 0 "[ . 1]" 1
13 1 2 LYS QE 1 2 LYS QG 1.800 . 4.200 2.327 2.125 2.901 . 0 0 "[ . 1]" 1
14 1 2 LYS QG 1 3 ALA H 1.800 . 4.200 4.137 4.062 4.206 0.006 10 0 "[ . 1]" 1
15 1 3 ALA H 1 3 ALA MB 1.800 . 2.800 2.235 2.210 2.268 . 0 0 "[ . 1]" 1
16 1 3 ALA H 1 4 TYR H 1.800 . 3.300 2.659 2.396 2.984 . 0 0 "[ . 1]" 1
17 1 3 ALA HA 1 4 TYR H 1.800 . 4.200 3.551 3.532 3.572 . 0 0 "[ . 1]" 1
18 1 3 ALA HA 1 6 ASP QB 1.800 . 3.300 2.790 2.691 3.072 . 0 0 "[ . 1]" 1
19 1 3 ALA MB 1 4 TYR H 1.800 . 2.800 2.359 2.124 2.563 . 0 0 "[ . 1]" 1
20 1 3 ALA MB 1 4 TYR HA 1.800 . 4.200 3.739 3.693 3.800 . 0 0 "[ . 1]" 1
21 1 3 ALA MB 1 4 TYR QB 1.800 . 4.200 3.859 3.660 4.022 . 0 0 "[ . 1]" 1
22 1 3 ALA MB 1 5 LEU H 1.800 . 5.500 4.783 4.646 4.897 . 0 0 "[ . 1]" 1
23 1 3 ALA MB 1 6 ASP QB 1.800 . 4.200 3.745 3.567 3.926 . 0 0 "[ . 1]" 1
24 1 4 TYR H 1 4 TYR QB 1.800 . 3.300 2.201 2.099 2.261 . 0 0 "[ . 1]" 1
25 1 4 TYR H 1 4 TYR QD 1.800 . 4.200 4.023 3.976 4.113 . 0 0 "[ . 1]" 1
26 1 4 TYR H 1 5 LEU H 1.800 . 3.300 3.120 3.087 3.139 . 0 0 "[ . 1]" 1
27 1 4 TYR HA 1 4 TYR QB 1.800 . 2.800 2.436 2.385 2.520 . 0 0 "[ . 1]" 1
28 1 4 TYR HA 1 4 TYR QD 1.800 . 2.800 2.396 2.319 2.732 . 0 0 "[ . 1]" 1
29 1 4 TYR HA 1 4 TYR QE 1.800 . 4.200 4.299 4.279 4.341 0.141 7 0 "[ . 1]" 1
30 1 4 TYR HA 1 5 LEU H 1.800 . 4.200 3.585 3.580 3.589 . 0 0 "[ . 1]" 1
31 1 4 TYR HA 1 7 GLU H 1.800 . 4.200 3.491 3.430 3.563 . 0 0 "[ . 1]" 1
32 1 4 TYR HA 1 7 GLU HA 1.800 . 5.500 5.530 5.492 5.586 0.086 3 0 "[ . 1]" 1
33 1 4 TYR HA 1 7 GLU QB 1.800 . 3.300 3.156 3.008 3.267 . 0 0 "[ . 1]" 1
34 1 4 TYR HA 1 7 GLU QG 1.800 . 4.200 2.746 2.485 3.610 . 0 0 "[ . 1]" 1
35 1 4 TYR QB 1 5 LEU H 1.800 . 4.200 2.113 2.066 2.188 . 0 0 "[ . 1]" 1
36 1 4 TYR QD 1 5 LEU H 1.800 . 4.200 3.494 3.239 3.878 . 0 0 "[ . 1]" 1
37 1 4 TYR QD 1 7 GLU QB 1.800 . 5.500 3.802 3.004 4.048 . 0 0 "[ . 1]" 1
38 1 4 TYR QD 1 8 LEU MD2 1.800 . 4.200 3.571 2.591 3.900 . 0 0 "[ . 1]" 1
39 1 4 TYR QE 1 8 LEU MD2 1.800 . 3.300 2.993 2.365 3.228 . 0 0 "[ . 1]" 1
40 1 4 TYR QE 1 53 LYS HA 1.800 . 4.200 3.555 2.756 4.162 . 0 0 "[ . 1]" 1
41 1 4 TYR QE 1 53 LYS QB 1.800 . 5.500 4.694 4.071 5.505 0.005 10 0 "[ . 1]" 1
42 1 4 TYR QE 1 53 LYS QD 1.800 . 4.200 3.268 2.178 4.231 0.031 2 0 "[ . 1]" 1
43 1 4 TYR QE 1 53 LYS QG 1.800 . 4.200 3.445 2.399 4.225 0.025 7 0 "[ . 1]" 1
44 1 4 TYR QE 1 56 VAL MG1 1.800 . 3.300 3.040 2.551 3.335 0.035 2 0 "[ . 1]" 1
45 1 4 TYR QE 1 56 VAL MG2 1.800 . 4.200 2.585 2.370 2.781 . 0 0 "[ . 1]" 1
46 1 5 LEU H 1 5 LEU QB 1.800 . 3.300 2.357 2.191 2.390 . 0 0 "[ . 1]" 1
47 1 5 LEU H 1 5 LEU MD2 1.800 . 4.200 3.768 3.678 4.336 0.136 3 0 "[ . 1]" 1
48 1 5 LEU HA 1 5 LEU QB 1.800 . 2.800 2.447 2.423 2.456 . 0 0 "[ . 1]" 1
49 1 5 LEU HA 1 5 LEU MD1 1.800 . 2.800 2.538 2.256 2.615 . 0 0 "[ . 1]" 1
50 1 5 LEU QB 1 5 LEU MD1 1.800 . 3.300 2.235 2.221 2.254 . 0 0 "[ . 1]" 1
51 1 5 LEU QB 1 5 LEU MD2 1.800 . 3.300 2.100 2.089 2.110 . 0 0 "[ . 1]" 1
52 1 5 LEU QB 1 6 ASP H 1.800 . 3.300 2.445 2.391 2.489 . 0 0 "[ . 1]" 1
53 1 5 LEU MD2 1 6 ASP H 1.800 . 5.500 4.458 4.077 4.544 . 0 0 "[ . 1]" 1
54 1 5 LEU MD2 2 2 ASN QB 1.800 . 4.200 4.084 3.638 4.221 0.021 9 0 "[ . 1]" 1
55 1 6 ASP H 1 6 ASP QB 1.800 . 3.300 2.257 2.197 2.727 . 0 0 "[ . 1]" 1
56 1 6 ASP H 1 7 GLU H 1.800 . 3.300 2.881 2.814 2.954 . 0 0 "[ . 1]" 1
57 1 6 ASP HA 1 6 ASP QB 1.800 . 2.800 2.420 2.281 2.453 . 0 0 "[ . 1]" 1
58 1 6 ASP HA 1 9 VAL H 1.800 . 3.300 3.203 3.042 3.308 0.008 9 0 "[ . 1]" 1
59 1 6 ASP HA 1 9 VAL HB 1.800 . 3.300 2.691 2.597 2.793 . 0 0 "[ . 1]" 1
60 1 6 ASP HA 1 9 VAL MG2 1.800 . 3.300 2.713 2.489 2.959 . 0 0 "[ . 1]" 1
61 1 6 ASP QB 1 7 GLU H 1.800 . 4.200 2.461 2.326 2.581 . 0 0 "[ . 1]" 1
62 1 7 GLU H 1 7 GLU QB 1.800 . 3.300 2.535 2.339 2.615 . 0 0 "[ . 1]" 1
63 1 7 GLU H 1 7 GLU QG 1.800 . 3.300 2.030 1.801 3.290 . 0 0 "[ . 1]" 1
64 1 7 GLU H 1 8 LEU H 1.800 . 3.300 2.661 2.568 2.740 . 0 0 "[ . 1]" 1
65 1 7 GLU HA 1 7 GLU QG 1.800 . 3.300 2.722 2.365 3.020 . 0 0 "[ . 1]" 1
66 1 7 GLU HA 1 8 LEU H 1.800 . 4.200 3.464 3.448 3.483 . 0 0 "[ . 1]" 1
67 1 7 GLU HA 1 9 VAL H 1.800 . 5.500 4.717 4.631 4.771 . 0 0 "[ . 1]" 1
68 1 7 GLU HA 1 10 GLU QB 1.800 . 4.200 3.365 3.142 3.564 . 0 0 "[ . 1]" 1
69 1 7 GLU HA 1 11 LEU H 1.800 . 4.200 4.164 3.974 4.263 0.063 9 0 "[ . 1]" 1
70 1 7 GLU QB 1 7 GLU QG 1.800 . 2.800 2.050 2.009 2.106 . 0 0 "[ . 1]" 1
71 1 7 GLU QB 1 8 LEU H 1.800 . 4.200 2.898 2.830 2.947 . 0 0 "[ . 1]" 1
72 1 8 LEU H 1 8 LEU QB 1.800 . 3.300 2.628 2.597 2.649 . 0 0 "[ . 1]" 1
73 1 8 LEU H 1 8 LEU MD2 1.800 . 4.200 2.733 2.710 2.757 . 0 0 "[ . 1]" 1
74 1 8 LEU H 1 8 LEU HG 1.800 . 3.300 1.985 1.922 2.020 . 0 0 "[ . 1]" 1
75 1 8 LEU H 1 9 VAL H 1.800 . 4.200 2.411 2.370 2.460 . 0 0 "[ . 1]" 1
76 1 8 LEU H 2 4 LEU MD1 1.800 . 4.200 4.208 4.120 4.270 0.070 4 0 "[ . 1]" 1
77 1 8 LEU HA 1 8 LEU MD2 1.800 . 2.800 2.138 2.118 2.168 . 0 0 "[ . 1]" 1
78 1 8 LEU HA 1 8 LEU HG 1.800 . 4.200 3.351 3.337 3.370 . 0 0 "[ . 1]" 1
79 1 8 LEU HA 1 9 VAL H 1.800 . 4.200 3.564 3.554 3.573 . 0 0 "[ . 1]" 1
80 1 8 LEU HA 1 11 LEU H 1.800 . 4.200 3.812 3.644 3.917 . 0 0 "[ . 1]" 1
81 1 8 LEU HA 1 11 LEU QB 1.800 . 3.300 2.728 2.554 3.016 . 0 0 "[ . 1]" 1
82 1 8 LEU HA 1 12 HIS H 1.800 . 4.200 3.700 3.597 3.894 . 0 0 "[ . 1]" 1
83 1 8 LEU HA 1 48 LEU HG 1.800 . 4.200 3.822 3.664 3.968 . 0 0 "[ . 1]" 1
84 1 8 LEU HA 1 51 LEU MD1 1.800 . 4.200 4.256 4.096 4.324 0.124 8 0 "[ . 1]" 1
85 1 8 LEU HA 2 4 LEU MD1 1.800 . 4.200 3.461 3.409 3.511 . 0 0 "[ . 1]" 1
86 1 8 LEU QB 1 9 VAL H 1.800 . 4.200 2.475 2.435 2.560 . 0 0 "[ . 1]" 1
87 1 8 LEU QB 2 4 LEU MD1 1.800 . 3.300 1.887 1.834 1.925 . 0 0 "[ . 1]" 1
88 1 8 LEU MD2 1 48 LEU QB 1.800 . 3.300 2.287 2.262 2.331 . 0 0 "[ . 1]" 1
89 1 8 LEU MD2 1 49 CYS QB 1.800 . 5.500 4.651 4.104 5.039 . 0 0 "[ . 1]" 1
90 1 8 LEU MD2 1 51 LEU MD1 1.800 . 3.300 2.748 2.625 2.899 . 0 0 "[ . 1]" 1
91 1 9 VAL H 1 9 VAL HB 1.800 . 3.300 2.557 2.522 2.598 . 0 0 "[ . 1]" 1
92 1 9 VAL H 1 9 VAL MG1 1.800 . 4.200 3.750 3.747 3.757 . 0 0 "[ . 1]" 1
93 1 9 VAL H 1 9 VAL MG2 1.800 . 2.800 2.036 2.003 2.083 . 0 0 "[ . 1]" 1
94 1 9 VAL H 1 10 GLU H 1.800 . 3.300 2.947 2.904 2.989 . 0 0 "[ . 1]" 1
95 1 9 VAL H 2 4 LEU MD1 1.800 . 4.200 3.135 3.043 3.288 . 0 0 "[ . 1]" 1
96 1 9 VAL HA 1 9 VAL MG1 1.800 . 2.800 2.312 2.300 2.330 . 0 0 "[ . 1]" 1
97 1 9 VAL HA 1 9 VAL MG2 1.800 . 2.800 2.295 2.269 2.317 . 0 0 "[ . 1]" 1
98 1 9 VAL HA 1 10 GLU H 1.800 . 4.200 3.573 3.565 3.577 . 0 0 "[ . 1]" 1
99 1 9 VAL HA 1 12 HIS H 1.800 . 4.200 3.619 3.495 3.737 . 0 0 "[ . 1]" 1
100 1 9 VAL HA 1 12 HIS QB 1.800 . 3.300 2.437 2.291 2.626 . 0 0 "[ . 1]" 1
101 1 9 VAL HA 1 13 ARG H 1.800 . 4.200 3.721 3.535 3.965 . 0 0 "[ . 1]" 1
102 1 9 VAL HA 2 4 LEU MD1 1.800 . 3.300 2.637 2.396 2.851 . 0 0 "[ . 1]" 1
103 1 9 VAL HA 2 4 LEU MD2 1.800 . 3.300 2.600 2.539 2.649 . 0 0 "[ . 1]" 1
104 1 9 VAL HB 1 10 GLU H 1.800 . 3.300 2.197 2.119 2.274 . 0 0 "[ . 1]" 1
105 1 9 VAL MG1 1 10 GLU H 1.800 . 3.300 3.065 2.963 3.152 . 0 0 "[ . 1]" 1
106 1 9 VAL MG1 1 10 GLU HA 1.800 . 3.300 3.289 3.224 3.346 0.046 9 0 "[ . 1]" 1
107 1 9 VAL MG1 1 12 HIS H 1.800 . 5.500 4.817 4.702 4.933 . 0 0 "[ . 1]" 1
108 1 9 VAL MG1 1 13 ARG H 1.800 . 4.200 3.735 3.523 3.847 . 0 0 "[ . 1]" 1
109 1 9 VAL MG1 1 13 ARG QB 1.800 . 3.300 3.248 3.044 3.425 0.125 3 0 "[ . 1]" 1
110 1 9 VAL MG1 2 4 LEU MD1 1.800 . 4.200 4.008 3.850 4.178 . 0 0 "[ . 1]" 1
111 1 9 VAL MG1 2 4 LEU MD2 1.800 . 3.300 3.346 3.317 3.372 0.072 9 0 "[ . 1]" 1
112 1 9 VAL MG2 2 4 LEU MD1 1.800 . 2.800 2.615 2.423 2.812 0.012 1 0 "[ . 1]" 1
113 1 9 VAL MG2 2 4 LEU MD2 1.800 . 2.800 2.822 2.747 2.841 0.041 5 0 "[ . 1]" 1
114 1 10 GLU H 1 10 GLU QB 1.800 . 3.300 2.412 2.245 2.572 . 0 0 "[ . 1]" 1
115 1 10 GLU H 1 10 GLU QG 1.800 . 5.500 2.717 1.823 3.958 . 0 0 "[ . 1]" 1
116 1 10 GLU H 1 11 LEU H 1.800 . 3.300 2.957 2.868 3.056 . 0 0 "[ . 1]" 1
117 1 10 GLU HA 1 10 GLU QG 1.800 . 3.300 2.405 2.293 2.742 . 0 0 "[ . 1]" 1
118 1 10 GLU HA 1 13 ARG QB 1.800 . 3.300 2.814 2.644 3.110 . 0 0 "[ . 1]" 1
119 1 10 GLU HA 1 13 ARG QG 1.800 . 4.200 4.230 4.030 4.299 0.099 6 0 "[ . 1]" 1
120 1 10 GLU QB 1 11 LEU H 1.800 . 4.200 2.295 2.196 2.386 . 0 0 "[ . 1]" 1
121 1 10 GLU QG 1 11 LEU H 1.800 . 5.500 3.825 3.258 4.356 . 0 0 "[ . 1]" 1
122 1 11 LEU H 1 11 LEU QB 1.800 . 3.300 2.136 2.073 2.229 . 0 0 "[ . 1]" 1
123 1 11 LEU H 1 12 HIS H 1.800 . 3.300 2.816 2.782 2.841 . 0 0 "[ . 1]" 1
124 1 11 LEU HA 1 11 LEU QB 1.800 . 2.800 2.523 2.427 2.566 . 0 0 "[ . 1]" 1
125 1 11 LEU HA 1 11 LEU MD1 1.800 . 2.800 2.264 2.135 2.321 . 0 0 "[ . 1]" 1
126 1 11 LEU HA 1 12 HIS H 1.800 . 4.200 3.565 3.554 3.579 . 0 0 "[ . 1]" 1
127 1 11 LEU HA 1 14 ARG H 1.800 . 4.200 3.677 3.496 3.861 . 0 0 "[ . 1]" 1
128 1 11 LEU HA 1 14 ARG QD 1.800 . 4.200 3.221 2.312 4.242 0.042 7 0 "[ . 1]" 1
129 1 11 LEU HA 1 15 LEU H 1.800 . 4.200 3.842 3.499 4.062 . 0 0 "[ . 1]" 1
130 1 11 LEU QB 1 11 LEU MD1 1.800 . 2.800 2.276 2.173 2.338 . 0 0 "[ . 1]" 1
131 1 11 LEU QB 1 12 HIS H 1.800 . 3.300 2.470 2.311 2.609 . 0 0 "[ . 1]" 1
132 1 11 LEU QB 1 12 HIS HA 1.800 . 4.200 3.791 3.722 3.939 . 0 0 "[ . 1]" 1
133 1 11 LEU MD1 1 60 GLN QB 1.800 . 4.200 3.297 3.126 3.520 . 0 0 "[ . 1]" 1
134 1 11 LEU MD1 1 60 GLN QG 1.800 . 3.300 2.215 2.059 2.351 . 0 0 "[ . 1]" 1
135 1 12 HIS H 1 12 HIS QB 1.800 . 3.300 2.247 2.233 2.263 . 0 0 "[ . 1]" 1
136 1 12 HIS H 1 12 HIS HD1 1.800 . 5.500 4.403 4.371 4.435 . 0 0 "[ . 1]" 1
137 1 12 HIS H 1 13 ARG H 1.800 . 4.200 2.969 2.777 3.147 . 0 0 "[ . 1]" 1
138 1 12 HIS H 1 48 LEU HG 1.800 . 3.300 3.275 3.160 3.368 0.068 10 0 "[ . 1]" 1
139 1 12 HIS H 2 4 LEU MD1 1.800 . 4.200 3.715 3.637 3.862 . 0 0 "[ . 1]" 1
140 1 12 HIS H 2 4 LEU MD2 1.800 . 4.200 4.249 4.185 4.288 0.088 9 0 "[ . 1]" 1
141 1 12 HIS HA 1 12 HIS QB 1.800 . 2.800 2.341 2.315 2.388 . 0 0 "[ . 1]" 1
142 1 12 HIS HA 1 12 HIS HD1 1.800 . 4.200 2.787 2.489 3.010 . 0 0 "[ . 1]" 1
143 1 12 HIS HA 1 13 ARG H 1.800 . 4.200 3.566 3.555 3.582 . 0 0 "[ . 1]" 1
144 1 12 HIS HA 1 15 LEU H 1.800 . 4.200 3.623 3.453 3.912 . 0 0 "[ . 1]" 1
145 1 12 HIS HA 1 15 LEU QB 1.800 . 4.200 2.596 2.387 3.004 . 0 0 "[ . 1]" 1
146 1 12 HIS HA 1 15 LEU MD1 1.800 . 4.200 2.545 2.281 3.360 . 0 0 "[ . 1]" 1
147 1 12 HIS HA 1 48 LEU HG 1.800 . 3.300 3.047 2.825 3.195 . 0 0 "[ . 1]" 1
148 1 12 HIS HA 2 6 VAL MG2 1.800 . 4.200 2.946 2.387 3.327 . 0 0 "[ . 1]" 1
149 1 12 HIS QB 1 13 ARG H 1.800 . 3.300 2.215 2.079 2.360 . 0 0 "[ . 1]" 1
150 1 12 HIS QB 1 48 LEU HG 1.800 . 3.300 2.431 2.326 2.639 . 0 0 "[ . 1]" 1
151 1 12 HIS QB 2 4 LEU MD1 1.800 . 4.200 2.286 2.223 2.408 . 0 0 "[ . 1]" 1
152 1 12 HIS QB 2 4 LEU MD2 1.800 . 3.300 2.135 2.102 2.154 . 0 0 "[ . 1]" 1
153 1 12 HIS HD1 1 48 LEU H 1.800 . 5.500 4.603 4.290 4.762 . 0 0 "[ . 1]" 1
154 1 12 HIS HD1 1 48 LEU HG 1.800 . 3.300 3.425 3.369 3.484 0.184 10 0 "[ . 1]" 1
155 1 12 HIS HD1 2 4 LEU HA 1.800 . 5.500 4.102 3.808 4.246 . 0 0 "[ . 1]" 1
156 1 12 HIS HD1 2 4 LEU QB 1.800 . 4.200 2.279 1.908 2.476 . 0 0 "[ . 1]" 1
157 1 12 HIS HD1 2 4 LEU MD1 1.800 . 5.500 3.828 3.734 3.925 . 0 0 "[ . 1]" 1
158 1 12 HIS HD1 2 4 LEU MD2 1.800 . 4.200 2.696 2.482 2.866 . 0 0 "[ . 1]" 1
159 1 12 HIS HD1 2 6 VAL HA 1.800 . 5.500 4.431 4.119 4.530 . 0 0 "[ . 1]" 1
160 1 12 HIS HD1 2 6 VAL MG2 1.800 . 2.800 1.858 1.767 2.020 0.033 6 0 "[ . 1]" 1
161 1 12 HIS HE1 2 4 LEU HA 1.800 . 5.500 4.387 3.864 5.217 . 0 0 "[ . 1]" 1
162 1 12 HIS HE1 2 4 LEU MD2 1.800 . 4.200 3.881 3.511 4.175 . 0 0 "[ . 1]" 1
163 1 12 HIS HE1 2 5 PRO QD 1.800 . 5.500 3.882 3.317 4.618 . 0 0 "[ . 1]" 1
164 1 13 ARG H 1 13 ARG QB 1.800 . 2.800 2.210 2.064 2.301 . 0 0 "[ . 1]" 1
165 1 13 ARG H 1 13 ARG QD 1.800 . 4.200 4.203 3.958 4.505 0.305 8 0 "[ . 1]" 1
166 1 13 ARG H 1 13 ARG QG 1.800 . 4.200 3.691 2.386 4.040 . 0 0 "[ . 1]" 1
167 1 13 ARG H 2 4 LEU MD2 1.800 . 4.200 4.231 4.050 4.374 0.174 10 0 "[ . 1]" 1
168 1 13 ARG HA 1 13 ARG QG 1.800 . 3.300 2.723 2.363 3.093 . 0 0 "[ . 1]" 1
169 1 13 ARG HA 1 16 MET H 1.800 . 4.200 3.649 3.512 3.882 . 0 0 "[ . 1]" 1
170 1 13 ARG HA 1 16 MET QB 1.800 . 4.200 2.924 2.591 3.290 . 0 0 "[ . 1]" 1
171 1 13 ARG QB 1 13 ARG QD 1.800 . 3.300 2.358 2.124 2.917 . 0 0 "[ . 1]" 1
172 1 14 ARG H 1 14 ARG QB 1.800 . 2.800 2.327 2.124 2.529 . 0 0 "[ . 1]" 1
173 1 14 ARG H 1 15 LEU H 1.800 . 3.300 2.776 2.672 2.996 . 0 0 "[ . 1]" 1
174 1 15 LEU H 1 15 LEU QB 1.800 . 3.300 2.289 2.126 2.503 . 0 0 "[ . 1]" 1
175 1 15 LEU H 1 16 MET H 1.800 . 3.300 2.714 2.671 2.749 . 0 0 "[ . 1]" 1
176 1 15 LEU HA 1 15 LEU MD1 1.800 . 4.200 3.794 3.719 3.865 . 0 0 "[ . 1]" 1
177 1 15 LEU HA 1 15 LEU MD2 1.800 . 2.800 2.269 2.220 2.414 . 0 0 "[ . 1]" 1
178 1 15 LEU HA 1 15 LEU HG 1.800 . 4.200 2.555 2.332 2.867 . 0 0 "[ . 1]" 1
179 1 15 LEU HA 1 16 MET H 1.800 . 4.200 3.535 3.516 3.545 . 0 0 "[ . 1]" 1
180 1 15 LEU HA 1 17 THR H 1.800 . 4.200 4.226 4.207 4.242 0.042 3 0 "[ . 1]" 1
181 1 15 LEU HA 1 18 LEU H 1.800 . 4.200 3.150 3.079 3.317 . 0 0 "[ . 1]" 1
182 1 15 LEU HA 1 18 LEU QB 1.800 . 3.300 2.083 2.073 2.105 . 0 0 "[ . 1]" 1
183 1 15 LEU HA 1 18 LEU MD1 1.800 . 4.200 4.120 3.869 4.266 0.066 10 0 "[ . 1]" 1
184 1 15 LEU QB 1 15 LEU MD1 1.800 . 3.300 2.109 2.092 2.123 . 0 0 "[ . 1]" 1
185 1 15 LEU QB 1 16 MET H 1.800 . 4.200 2.559 2.505 2.692 . 0 0 "[ . 1]" 1
186 1 15 LEU QB 2 6 VAL MG2 1.800 . 2.800 2.809 2.750 2.938 0.138 3 0 "[ . 1]" 1
187 1 15 LEU MD1 1 46 PHE QE 1.800 . 3.300 2.711 2.058 2.865 . 0 0 "[ . 1]" 1
188 1 15 LEU MD1 2 6 VAL HB 1.800 . 4.200 4.121 3.775 4.308 0.108 10 0 "[ . 1]" 1
189 1 16 MET H 1 16 MET QB 1.800 . 3.300 2.222 2.201 2.250 . 0 0 "[ . 1]" 1
190 1 16 MET H 1 17 THR H 1.800 . 3.300 2.817 2.755 2.877 . 0 0 "[ . 1]" 1
191 1 16 MET HA 1 17 THR H 1.800 . 4.200 3.535 3.522 3.553 . 0 0 "[ . 1]" 1
192 1 16 MET HA 1 18 LEU H 1.800 . 4.200 4.273 3.895 4.406 0.206 1 0 "[ . 1]" 1
193 1 16 MET HA 2 6 VAL MG1 1.800 . 4.200 3.309 3.172 3.486 . 0 0 "[ . 1]" 1
194 1 16 MET QB 2 6 VAL MG1 1.800 . 4.200 4.194 3.978 4.254 0.054 5 0 "[ . 1]" 1
195 1 17 THR H 1 17 THR MG 1.800 . 3.300 2.264 1.816 2.767 . 0 0 "[ . 1]" 1
196 1 17 THR H 1 18 LEU H 1.800 . 2.800 2.273 2.181 2.534 . 0 0 "[ . 1]" 1
197 1 17 THR HA 1 18 LEU H 1.800 . 4.200 3.396 3.121 3.473 . 0 0 "[ . 1]" 1
198 1 17 THR MG 1 18 LEU H 1.800 . 5.500 3.858 3.291 4.334 . 0 0 "[ . 1]" 1
199 1 18 LEU H 1 18 LEU QB 1.800 . 2.800 2.254 2.204 2.326 . 0 0 "[ . 1]" 1
200 1 18 LEU H 1 18 LEU MD1 1.800 . 4.200 3.956 3.849 4.152 . 0 0 "[ . 1]" 1
201 1 18 LEU H 1 18 LEU MD2 1.800 . 4.200 4.289 4.255 4.332 0.132 5 0 "[ . 1]" 1
202 1 18 LEU HA 1 18 LEU QB 1.800 . 2.800 2.387 2.373 2.428 . 0 0 "[ . 1]" 1
203 1 18 LEU HA 1 18 LEU MD1 1.800 . 2.800 2.150 2.101 2.255 . 0 0 "[ . 1]" 1
204 1 18 LEU HA 1 19 ARG H 1.800 . 2.800 2.167 2.142 2.219 . 0 0 "[ . 1]" 1
205 1 18 LEU QB 1 18 LEU MD1 1.800 . 2.800 2.226 2.174 2.256 . 0 0 "[ . 1]" 1
206 1 18 LEU QB 1 18 LEU MD2 1.800 . 3.300 2.084 2.066 2.110 . 0 0 "[ . 1]" 1
207 1 18 LEU MD1 1 19 ARG H 1.800 . 4.200 2.553 2.079 3.542 . 0 0 "[ . 1]" 1
208 1 18 LEU MD1 1 20 GLU H 1.800 . 4.200 2.626 2.106 3.604 . 0 0 "[ . 1]" 1
209 1 18 LEU MD1 1 20 GLU QB 1.800 . 3.300 2.434 2.061 2.816 . 0 0 "[ . 1]" 1
210 1 18 LEU MD1 1 20 GLU QG 1.800 . 4.200 3.786 2.533 4.222 0.022 3 0 "[ . 1]" 1
211 1 18 LEU MD2 1 20 GLU H 1.800 . 4.200 3.799 3.472 4.205 0.005 3 0 "[ . 1]" 1
212 1 18 LEU MD2 1 20 GLU QB 1.800 . 3.300 3.019 2.600 3.324 0.024 4 0 "[ . 1]" 1
213 1 19 ARG H 1 20 GLU H 1.800 . 3.300 2.069 1.768 3.251 0.032 1 0 "[ . 1]" 1
214 1 19 ARG HA 1 19 ARG QD 1.800 . 3.300 2.549 2.283 3.440 0.140 10 0 "[ . 1]" 1
215 1 19 ARG HA 1 20 GLU H 1.800 . 4.200 3.250 2.442 3.477 . 0 0 "[ . 1]" 1
216 1 19 ARG HA 1 24 LEU MD1 1.800 . 4.200 3.467 2.404 4.214 0.014 10 0 "[ . 1]" 1
217 1 20 GLU H 1 20 GLU QB 1.800 . 3.300 2.249 2.048 2.667 . 0 0 "[ . 1]" 1
218 1 20 GLU H 1 20 GLU QG 1.800 . 4.200 3.800 2.552 4.216 0.016 4 0 "[ . 1]" 1
219 1 20 GLU H 1 21 ARG H 1.800 . 5.500 4.150 3.614 4.392 . 0 0 "[ . 1]" 1
220 1 20 GLU HA 1 20 GLU QB 1.800 . 2.800 2.452 2.410 2.556 . 0 0 "[ . 1]" 1
221 1 20 GLU HA 1 20 GLU QG 1.800 . 3.300 2.514 2.282 2.687 . 0 0 "[ . 1]" 1
222 1 20 GLU HA 1 21 ARG H 1.800 . 2.800 2.234 2.155 2.323 . 0 0 "[ . 1]" 1
223 1 20 GLU HA 1 21 ARG HA 1.800 . 5.500 4.505 4.432 4.576 . 0 0 "[ . 1]" 1
224 1 20 GLU QG 1 21 ARG H 1.800 . 4.200 3.751 3.333 4.249 0.049 1 0 "[ . 1]" 1
225 1 20 GLU QG 1 23 ILE HB 1.800 . 4.200 3.995 3.209 4.269 0.069 1 0 "[ . 1]" 1
226 1 20 GLU QG 1 23 ILE MD 1.800 . 3.300 2.995 2.266 3.413 0.113 8 0 "[ . 1]" 1
227 1 20 GLU QG 1 23 ILE QG 1.800 . 4.200 2.960 2.059 4.241 0.041 8 0 "[ . 1]" 1
228 1 21 ARG H 1 21 ARG QB 1.800 . 3.300 2.488 2.255 2.724 . 0 0 "[ . 1]" 1
229 1 21 ARG H 1 21 ARG QD 1.800 . 5.500 3.855 3.437 4.384 . 0 0 "[ . 1]" 1
230 1 21 ARG H 1 21 ARG QG 1.800 . 4.200 2.199 1.799 3.947 0.001 2 0 "[ . 1]" 1
231 1 21 ARG HA 1 21 ARG QB 1.800 . 2.800 2.311 2.177 2.421 . 0 0 "[ . 1]" 1
232 1 21 ARG HA 1 21 ARG QD 1.800 . 4.200 4.066 3.842 4.416 0.216 6 0 "[ . 1]" 1
233 1 21 ARG HA 1 21 ARG QG 1.800 . 4.200 2.641 2.260 3.296 . 0 0 "[ . 1]" 1
234 1 21 ARG HA 1 23 ILE H 1.800 . 4.200 3.989 3.727 4.228 0.028 5 0 "[ . 1]" 1
235 1 21 ARG HA 1 24 LEU H 1.800 . 4.200 3.341 2.999 3.640 . 0 0 "[ . 1]" 1
236 1 21 ARG HA 1 24 LEU QB 1.800 . 3.300 2.359 2.301 2.575 . 0 0 "[ . 1]" 1
237 1 21 ARG HA 1 24 LEU MD1 1.800 . 4.200 2.898 2.284 3.758 . 0 0 "[ . 1]" 1
238 1 21 ARG HA 1 25 GLN H 1.800 . 4.200 4.023 3.852 4.211 0.011 8 0 "[ . 1]" 1
239 1 21 ARG HA 2 13 VAL MG1 1.800 . 4.200 3.797 3.533 4.214 0.014 10 0 "[ . 1]" 1
240 1 21 ARG QB 1 21 ARG QD 1.800 . 3.300 2.204 2.113 2.476 . 0 0 "[ . 1]" 1
241 1 22 HIS H 1 24 LEU QB 1.800 . 5.500 5.020 4.751 5.277 . 0 0 "[ . 1]" 1
242 1 22 HIS HA 1 22 HIS HD1 1.800 . 5.500 2.704 1.936 3.501 . 0 0 "[ . 1]" 1
243 1 22 HIS HA 1 23 ILE MD 1.800 . 4.200 4.197 4.051 4.322 0.122 3 0 "[ . 1]" 1
244 1 22 HIS HD1 1 23 ILE HA 1.800 . 5.500 4.000 3.185 4.916 . 0 0 "[ . 1]" 1
245 1 22 HIS HD1 1 23 ILE MD 1.800 . 5.500 2.566 1.900 3.493 . 0 0 "[ . 1]" 1
246 1 22 HIS HD1 1 23 ILE QG 1.800 . 5.500 4.346 3.849 4.994 . 0 0 "[ . 1]" 1
247 1 22 HIS HD1 1 26 GLN QG 1.800 . 5.500 3.635 2.554 5.535 0.035 8 0 "[ . 1]" 1
248 1 22 HIS HE1 1 23 ILE MD 1.800 . 5.500 4.489 3.958 5.408 . 0 0 "[ . 1]" 1
249 1 23 ILE H 1 23 ILE HB 1.800 . 3.300 2.457 2.218 2.622 . 0 0 "[ . 1]" 1
250 1 23 ILE H 1 23 ILE QG 1.800 . 4.200 2.714 2.046 3.670 . 0 0 "[ . 1]" 1
251 1 23 ILE H 1 24 LEU H 1.800 . 3.300 2.468 2.414 2.534 . 0 0 "[ . 1]" 1
252 1 23 ILE HA 1 23 ILE MD 1.800 . 3.300 2.147 2.069 2.269 . 0 0 "[ . 1]" 1
253 1 23 ILE HA 1 23 ILE MG 1.800 . 2.800 2.408 2.235 2.636 . 0 0 "[ . 1]" 1
254 1 23 ILE HB 1 23 ILE MD 1.800 . 3.300 2.880 2.380 3.201 . 0 0 "[ . 1]" 1
255 1 23 ILE HB 1 24 LEU H 1.800 . 3.300 2.407 2.190 2.707 . 0 0 "[ . 1]" 1
256 1 23 ILE MD 1 23 ILE QG 1.800 . 2.800 1.906 1.901 1.909 . 0 0 "[ . 1]" 1
257 1 23 ILE MD 1 24 LEU H 1.800 . 4.200 4.189 3.952 4.328 0.128 3 0 "[ . 1]" 1
258 1 23 ILE MD 1 26 GLN QG 1.800 . 3.300 3.354 3.299 3.409 0.109 2 0 "[ . 1]" 1
259 1 23 ILE MD 1 27 ILE H 1.800 . 5.500 5.331 5.140 5.523 0.023 2 0 "[ . 1]" 1
260 1 23 ILE MD 1 62 TYR QB 1.800 . 4.200 3.553 3.001 4.081 . 0 0 "[ . 1]" 1
261 1 23 ILE MD 1 62 TYR QE 1.800 . 5.500 5.419 5.047 5.577 0.077 5 0 "[ . 1]" 1
262 1 23 ILE MD 1 63 LEU HA 1.800 . 4.200 4.248 4.156 4.315 0.115 3 0 "[ . 1]" 1
263 1 23 ILE MG 1 24 LEU H 1.800 . 3.300 3.171 2.735 3.479 0.179 7 0 "[ . 1]" 1
264 1 23 ILE MG 1 25 GLN H 1.800 . 5.500 4.483 4.319 4.624 . 0 0 "[ . 1]" 1
265 1 23 ILE MG 1 26 GLN H 1.800 . 4.200 4.224 4.153 4.262 0.062 9 0 "[ . 1]" 1
266 1 23 ILE MG 1 26 GLN QG 1.800 . 4.200 4.027 3.686 4.288 0.088 8 0 "[ . 1]" 1
267 1 23 ILE MG 1 27 ILE H 1.800 . 4.200 3.363 3.197 3.612 . 0 0 "[ . 1]" 1
268 1 23 ILE MG 1 27 ILE HA 1.800 . 5.500 4.855 4.687 5.167 . 0 0 "[ . 1]" 1
269 1 23 ILE MG 1 62 TYR QB 1.800 . 3.300 2.340 2.158 2.671 . 0 0 "[ . 1]" 1
270 1 23 ILE MG 1 62 TYR QD 1.800 . 4.200 3.885 3.464 4.176 . 0 0 "[ . 1]" 1
271 1 23 ILE MG 1 62 TYR QE 1.800 . 5.500 5.384 5.066 5.557 0.057 5 0 "[ . 1]" 1
272 1 23 ILE MG 1 63 LEU HA 1.800 . 4.200 3.338 2.377 3.878 . 0 0 "[ . 1]" 1
273 1 24 LEU H 1 24 LEU QB 1.800 . 4.200 2.424 2.157 2.730 . 0 0 "[ . 1]" 1
274 1 24 LEU H 1 24 LEU MD1 1.800 . 4.200 2.572 1.737 3.537 0.063 6 0 "[ . 1]" 1
275 1 24 LEU H 1 25 GLN H 1.800 . 3.300 2.810 2.774 2.857 . 0 0 "[ . 1]" 1
276 1 24 LEU H 1 27 ILE MD 1.800 . 4.200 4.229 4.125 4.338 0.138 2 0 "[ . 1]" 1
277 1 24 LEU HA 1 24 LEU QB 1.800 . 2.800 2.424 2.291 2.539 . 0 0 "[ . 1]" 1
278 1 24 LEU HA 1 27 ILE HB 1.800 . 4.200 2.897 2.739 3.035 . 0 0 "[ . 1]" 1
279 1 24 LEU HA 1 27 ILE MG 1.800 . 4.200 4.157 4.042 4.225 0.025 10 0 "[ . 1]" 1
280 1 24 LEU HA 2 8 ILE MD 1.800 . 4.200 3.616 3.286 3.888 . 0 0 "[ . 1]" 1
281 1 24 LEU HA 2 13 VAL MG1 1.800 . 4.200 3.976 3.770 4.239 0.039 10 0 "[ . 1]" 1
282 1 24 LEU QB 1 24 LEU MD1 1.800 . 2.800 2.216 2.087 2.338 . 0 0 "[ . 1]" 1
283 1 24 LEU QB 1 25 GLN H 1.800 . 4.200 2.921 2.847 3.054 . 0 0 "[ . 1]" 1
284 1 24 LEU QB 2 13 VAL MG1 1.800 . 3.300 2.132 2.023 2.363 . 0 0 "[ . 1]" 1
285 1 24 LEU HG 2 13 VAL MG1 1.800 . 4.200 4.107 3.733 4.273 0.073 9 0 "[ . 1]" 1
286 1 25 GLN H 1 25 GLN QB 1.800 . 3.300 2.296 2.279 2.327 . 0 0 "[ . 1]" 1
287 1 25 GLN H 1 25 GLN QG 1.800 . 4.200 3.415 2.441 4.074 . 0 0 "[ . 1]" 1
288 1 25 GLN H 1 26 GLN H 1.800 . 4.200 2.498 2.432 2.597 . 0 0 "[ . 1]" 1
289 1 25 GLN H 2 13 VAL MG1 1.800 . 4.200 3.551 3.273 3.855 . 0 0 "[ . 1]" 1
290 1 25 GLN HA 1 25 GLN QG 1.800 . 4.200 2.419 2.320 2.682 . 0 0 "[ . 1]" 1
291 1 25 GLN HA 1 26 GLN H 1.800 . 4.200 3.548 3.533 3.566 . 0 0 "[ . 1]" 1
292 1 25 GLN HA 1 28 VAL H 1.800 . 4.200 4.046 3.936 4.105 . 0 0 "[ . 1]" 1
293 1 25 GLN HA 1 28 VAL HB 1.800 . 3.300 2.908 2.794 2.979 . 0 0 "[ . 1]" 1
294 1 25 GLN HA 1 28 VAL MG1 1.800 . 4.200 4.115 4.017 4.192 . 0 0 "[ . 1]" 1
295 1 25 GLN HA 1 28 VAL MG2 1.800 . 3.300 3.376 3.332 3.439 0.139 9 0 "[ . 1]" 1
296 1 25 GLN HA 2 13 VAL MG1 1.800 . 3.300 2.717 2.518 3.043 . 0 0 "[ . 1]" 1
297 1 25 GLN QB 1 26 GLN H 1.800 . 4.200 2.521 2.456 2.569 . 0 0 "[ . 1]" 1
298 1 25 GLN QG 1 26 GLN H 1.800 . 4.200 3.934 3.558 4.179 . 0 0 "[ . 1]" 1
299 1 26 GLN H 1 26 GLN QB 1.800 . 3.300 2.514 2.404 2.711 . 0 0 "[ . 1]" 1
300 1 26 GLN H 1 26 GLN QG 1.800 . 3.300 1.984 1.798 2.176 0.002 7 0 "[ . 1]" 1
301 1 26 GLN H 1 27 ILE H 1.800 . 3.300 2.742 2.680 2.762 . 0 0 "[ . 1]" 1
302 1 26 GLN H 1 27 ILE MD 1.800 . 5.500 4.981 3.488 5.232 . 0 0 "[ . 1]" 1
303 1 26 GLN HA 1 26 GLN QB 1.800 . 2.800 2.339 2.264 2.385 . 0 0 "[ . 1]" 1
304 1 26 GLN HA 1 26 GLN QG 1.800 . 3.300 2.780 2.556 3.126 . 0 0 "[ . 1]" 1
305 1 26 GLN HA 1 29 ASN H 1.800 . 4.200 4.113 4.014 4.204 0.004 6 0 "[ . 1]" 1
306 1 26 GLN HA 1 29 ASN QB 1.800 . 3.300 3.259 3.142 3.318 0.018 6 0 "[ . 1]" 1
307 1 26 GLN HA 1 30 LEU H 1.800 . 5.500 4.575 4.472 4.733 . 0 0 "[ . 1]" 1
308 1 26 GLN QB 1 26 GLN QG 1.800 . 3.300 2.047 2.010 2.100 . 0 0 "[ . 1]" 1
309 1 26 GLN QB 1 27 ILE H 1.800 . 4.200 2.281 2.219 2.372 . 0 0 "[ . 1]" 1
310 1 26 GLN QB 1 62 TYR QD 1.800 . 5.500 3.046 2.935 3.184 . 0 0 "[ . 1]" 1
311 1 26 GLN QB 1 62 TYR QE 1.800 . 4.200 2.728 2.579 2.901 . 0 0 "[ . 1]" 1
312 1 26 GLN QG 1 62 TYR QE 1.800 . 4.200 3.399 3.168 3.821 . 0 0 "[ . 1]" 1
313 1 27 ILE H 1 27 ILE QG 1.800 . 3.300 2.254 2.072 3.270 . 0 0 "[ . 1]" 1
314 1 27 ILE H 1 62 TYR QD 1.800 . 5.500 4.629 4.551 4.771 . 0 0 "[ . 1]" 1
315 1 27 ILE H 1 62 TYR QE 1.800 . 5.500 5.130 5.023 5.321 . 0 0 "[ . 1]" 1
316 1 27 ILE HA 1 27 ILE QG 1.800 . 4.200 2.332 2.305 2.353 . 0 0 "[ . 1]" 1
317 1 27 ILE HA 1 27 ILE MG 1.800 . 2.800 2.410 2.364 2.503 . 0 0 "[ . 1]" 1
318 1 27 ILE HA 1 30 LEU H 1.800 . 4.200 3.390 3.306 3.462 . 0 0 "[ . 1]" 1
319 1 27 ILE HA 1 30 LEU QB 1.800 . 4.200 2.379 2.252 2.554 . 0 0 "[ . 1]" 1
320 1 27 ILE HA 1 31 ILE H 1.800 . 4.200 4.064 3.860 4.165 . 0 0 "[ . 1]" 1
321 1 27 ILE HA 1 59 LEU MD2 1.800 . 4.200 2.795 2.409 3.302 . 0 0 "[ . 1]" 1
322 1 27 ILE HA 1 62 TYR QD 1.800 . 4.200 3.749 3.617 3.869 . 0 0 "[ . 1]" 1
323 1 27 ILE HA 1 62 TYR QE 1.800 . 4.200 4.022 3.914 4.240 0.040 4 0 "[ . 1]" 1
324 1 27 ILE HB 1 44 PHE QE 1.800 . 5.500 5.502 5.249 5.598 0.098 10 0 "[ . 1]" 1
325 1 27 ILE MD 1 62 TYR QD 1.800 . 4.200 4.021 2.766 4.193 . 0 0 "[ . 1]" 1
326 1 27 ILE MD 1 62 TYR QE 1.800 . 5.500 5.479 4.108 5.689 0.189 2 0 "[ . 1]" 1
327 1 27 ILE QG 1 62 TYR QD 1.800 . 4.200 2.962 2.846 3.214 . 0 0 "[ . 1]" 1
328 1 27 ILE MG 1 28 VAL H 1.800 . 3.300 2.866 2.707 2.975 . 0 0 "[ . 1]" 1
329 1 27 ILE MG 1 28 VAL HA 1.800 . 4.200 3.129 2.989 3.209 . 0 0 "[ . 1]" 1
330 1 27 ILE MG 1 31 ILE H 1.800 . 4.200 3.582 3.436 3.717 . 0 0 "[ . 1]" 1
331 1 27 ILE MG 1 31 ILE QG 1.800 . 3.300 3.043 2.763 3.309 0.009 5 0 "[ . 1]" 1
332 1 27 ILE MG 1 46 PHE QE 1.800 . 4.200 3.529 3.228 3.667 . 0 0 "[ . 1]" 1
333 1 28 VAL H 1 28 VAL HB 1.800 . 3.300 2.518 2.480 2.550 . 0 0 "[ . 1]" 1
334 1 28 VAL H 1 28 VAL MG1 1.800 . 4.200 3.767 3.759 3.778 . 0 0 "[ . 1]" 1
335 1 28 VAL H 1 28 VAL MG2 1.800 . 2.800 2.108 2.036 2.189 . 0 0 "[ . 1]" 1
336 1 28 VAL H 2 8 ILE MD 1.800 . 5.500 4.638 4.413 4.843 . 0 0 "[ . 1]" 1
337 1 28 VAL HA 1 28 VAL MG1 1.800 . 2.800 2.436 2.399 2.466 . 0 0 "[ . 1]" 1
338 1 28 VAL HA 1 28 VAL MG2 1.800 . 2.800 2.343 2.324 2.360 . 0 0 "[ . 1]" 1
339 1 28 VAL HA 1 31 ILE H 1.800 . 4.200 3.906 3.813 3.995 . 0 0 "[ . 1]" 1
340 1 28 VAL HA 1 31 ILE MD 1.800 . 4.200 3.356 2.995 3.857 . 0 0 "[ . 1]" 1
341 1 28 VAL HA 1 32 GLU H 1.800 . 4.200 3.872 3.515 4.224 0.024 5 0 "[ . 1]" 1
342 1 28 VAL HA 2 8 ILE MD 1.800 . 5.500 4.702 4.513 4.905 . 0 0 "[ . 1]" 1
343 1 28 VAL HB 1 29 ASN H 1.800 . 4.200 2.254 2.201 2.315 . 0 0 "[ . 1]" 1
344 1 28 VAL HB 2 13 VAL MG1 1.800 . 4.200 3.777 3.739 3.932 . 0 0 "[ . 1]" 1
345 1 28 VAL MG1 1 28 VAL MG2 1.800 . 2.800 2.081 2.077 2.085 . 0 0 "[ . 1]" 1
346 1 28 VAL MG1 1 29 ASN H 1.800 . 4.200 2.791 2.681 2.887 . 0 0 "[ . 1]" 1
347 1 28 VAL MG1 1 29 ASN HA 1.800 . 4.200 3.101 3.026 3.156 . 0 0 "[ . 1]" 1
348 1 28 VAL MG1 1 44 PHE QD 1.800 . 5.500 3.531 3.301 3.641 . 0 0 "[ . 1]" 1
349 1 28 VAL MG1 2 8 ILE MD 1.800 . 4.200 4.344 4.302 4.447 0.247 3 0 "[ . 1]" 1
350 1 28 VAL MG1 2 13 VAL HB 1.800 . 3.300 3.316 3.270 3.379 0.079 8 0 "[ . 1]" 1
351 1 28 VAL MG1 2 13 VAL MG1 1.800 . 4.200 3.725 3.638 3.811 . 0 0 "[ . 1]" 1
352 1 28 VAL MG1 2 13 VAL MG2 1.800 . 3.300 3.246 3.142 3.317 0.017 9 0 "[ . 1]" 1
353 1 28 VAL MG1 2 15 LEU HA 1.800 . 4.200 3.407 3.266 3.683 . 0 0 "[ . 1]" 1
354 1 28 VAL MG1 2 15 LEU MD2 1.800 . 3.300 2.481 2.107 2.842 . 0 0 "[ . 1]" 1
355 1 28 VAL MG1 2 16 PRO QD 1.800 . 3.300 3.337 3.146 3.482 0.182 3 0 "[ . 1]" 1
356 1 28 VAL MG2 1 29 ASN H 1.800 . 4.200 3.822 3.794 3.853 . 0 0 "[ . 1]" 1
357 1 28 VAL MG2 1 39 ILE MD 1.800 . 5.500 5.519 5.287 5.603 0.103 10 0 "[ . 1]" 1
358 1 28 VAL MG2 1 44 PHE QD 1.800 . 5.500 2.870 2.602 3.022 . 0 0 "[ . 1]" 1
359 1 28 VAL MG2 2 8 ILE MD 1.800 . 2.800 2.535 2.430 2.657 . 0 0 "[ . 1]" 1
360 1 28 VAL MG2 2 13 VAL HB 1.800 . 3.300 3.152 2.990 3.303 0.003 4 0 "[ . 1]" 1
361 1 28 VAL MG2 2 14 VAL H 1.800 . 5.500 4.553 4.352 4.688 . 0 0 "[ . 1]" 1
362 1 29 ASN H 1 29 ASN QB 1.800 . 3.300 2.417 2.216 2.607 . 0 0 "[ . 1]" 1
363 1 29 ASN H 1 30 LEU H 1.800 . 4.200 2.748 2.670 2.828 . 0 0 "[ . 1]" 1
364 1 29 ASN HA 1 29 ASN QB 1.800 . 2.800 2.358 2.301 2.402 . 0 0 "[ . 1]" 1
365 1 29 ASN HA 1 30 LEU H 1.800 . 4.200 3.478 3.465 3.510 . 0 0 "[ . 1]" 1
366 1 29 ASN HA 1 32 GLU H 1.800 . 4.200 3.840 3.634 4.134 . 0 0 "[ . 1]" 1
367 1 29 ASN HA 1 32 GLU QB 1.800 . 4.200 2.321 2.227 2.506 . 0 0 "[ . 1]" 1
368 1 29 ASN HA 2 16 PRO QG 1.800 . 4.200 3.814 3.037 4.188 . 0 0 "[ . 1]" 1
369 1 29 ASN QB 1 30 LEU H 1.800 . 3.300 2.954 2.866 3.019 . 0 0 "[ . 1]" 1
370 1 29 ASN QB 1 30 LEU HA 1.800 . 4.200 4.014 3.926 4.209 0.009 10 0 "[ . 1]" 1
371 1 30 LEU H 1 30 LEU QB 1.800 . 3.300 2.208 2.182 2.227 . 0 0 "[ . 1]" 1
372 1 30 LEU H 1 31 ILE H 1.800 . 4.200 2.788 2.770 2.817 . 0 0 "[ . 1]" 1
373 1 30 LEU H 1 31 ILE MG 1.800 . 4.200 4.282 3.990 4.393 0.193 9 0 "[ . 1]" 1
374 1 30 LEU H 1 62 TYR QE 1.800 . 5.500 5.462 5.371 5.537 0.037 5 0 "[ . 1]" 1
375 1 30 LEU HA 1 30 LEU HG 1.800 . 4.200 3.639 3.633 3.646 . 0 0 "[ . 1]" 1
376 1 30 LEU HA 1 31 ILE H 1.800 . 4.200 3.563 3.555 3.573 . 0 0 "[ . 1]" 1
377 1 30 LEU HA 1 33 GLU H 1.800 . 4.200 3.943 3.721 4.093 . 0 0 "[ . 1]" 1
378 1 30 LEU HA 1 33 GLU QB 1.800 . 4.200 3.391 2.947 3.620 . 0 0 "[ . 1]" 1
379 1 30 LEU HA 1 33 GLU QG 1.800 . 4.200 4.007 3.294 4.414 0.214 10 0 "[ . 1]" 1
380 1 30 LEU QB 1 31 ILE H 1.800 . 3.300 2.081 2.010 2.150 . 0 0 "[ . 1]" 1
381 1 30 LEU QB 1 62 TYR QE 1.800 . 3.300 3.260 3.194 3.316 0.016 5 0 "[ . 1]" 1
382 1 30 LEU MD1 1 31 ILE MG 1.800 . 2.800 2.835 2.807 2.884 0.084 9 0 "[ . 1]" 1
383 1 30 LEU MD1 1 33 GLU QB 1.800 . 4.200 3.757 3.558 4.216 0.016 6 0 "[ . 1]" 1
384 1 30 LEU MD1 1 55 THR HA 1.800 . 4.200 3.719 3.389 4.039 . 0 0 "[ . 1]" 1
385 1 30 LEU MD2 1 33 GLU QB 1.800 . 4.200 4.220 3.972 4.377 0.177 7 0 "[ . 1]" 1
386 1 30 LEU MD2 1 62 TYR QE 1.800 . 3.300 2.547 2.210 2.959 . 0 0 "[ . 1]" 1
387 1 30 LEU HG 1 62 TYR QE 1.800 . 5.500 2.770 2.327 2.932 . 0 0 "[ . 1]" 1
388 1 31 ILE H 1 31 ILE MD 1.800 . 4.200 3.771 3.695 3.895 . 0 0 "[ . 1]" 1
389 1 31 ILE H 1 31 ILE QG 1.800 . 3.300 2.141 2.017 2.375 . 0 0 "[ . 1]" 1
390 1 31 ILE H 1 31 ILE MG 1.800 . 3.300 2.043 1.844 2.106 . 0 0 "[ . 1]" 1
391 1 31 ILE H 1 32 GLU H 1.800 . 4.200 2.594 2.518 2.694 . 0 0 "[ . 1]" 1
392 1 31 ILE HA 1 31 ILE MD 1.800 . 4.200 3.882 3.473 4.129 . 0 0 "[ . 1]" 1
393 1 31 ILE HA 1 31 ILE QG 1.800 . 3.300 3.370 3.332 3.428 0.128 3 0 "[ . 1]" 1
394 1 31 ILE HA 1 31 ILE MG 1.800 . 2.800 2.337 2.278 2.424 . 0 0 "[ . 1]" 1
395 1 31 ILE HA 1 32 GLU H 1.800 . 4.200 3.468 3.345 3.553 . 0 0 "[ . 1]" 1
396 1 31 ILE HA 1 33 GLU H 1.800 . 5.500 4.254 4.065 4.502 . 0 0 "[ . 1]" 1
397 1 31 ILE HB 1 31 ILE MD 1.800 . 2.800 2.260 2.193 2.346 . 0 0 "[ . 1]" 1
398 1 31 ILE HB 1 32 GLU H 1.800 . 4.200 3.823 3.536 4.229 0.029 5 0 "[ . 1]" 1
399 1 31 ILE MD 1 31 ILE QG 1.800 . 3.300 1.893 1.882 1.900 . 0 0 "[ . 1]" 1
400 1 31 ILE MD 1 32 GLU HA 1.800 . 4.200 3.624 2.326 4.410 0.210 6 0 "[ . 1]" 1
401 1 31 ILE MD 1 36 HIS H 1.800 . 5.500 4.902 3.437 5.518 0.018 10 0 "[ . 1]" 1
402 1 31 ILE MD 1 37 PHE HA 1.800 . 4.200 3.816 3.446 4.192 . 0 0 "[ . 1]" 1
403 1 31 ILE MD 1 37 PHE QB 1.800 . 3.300 2.416 1.991 2.921 . 0 0 "[ . 1]" 1
404 1 31 ILE MD 1 37 PHE QD 1.800 . 4.200 3.618 2.196 4.261 0.061 8 0 "[ . 1]" 1
405 1 31 ILE MD 1 46 PHE QB 1.800 . 3.300 2.200 1.848 2.830 . 0 0 "[ . 1]" 1
406 1 31 ILE QG 1 31 ILE MG 1.800 . 2.800 2.176 2.111 2.251 . 0 0 "[ . 1]" 1
407 1 31 ILE QG 1 46 PHE QD 1.800 . 5.500 4.252 3.670 4.655 . 0 0 "[ . 1]" 1
408 1 31 ILE MG 1 32 GLU H 1.800 . 5.500 3.814 3.658 4.005 . 0 0 "[ . 1]" 1
409 1 31 ILE MG 1 46 PHE QD 1.800 . 5.500 3.707 3.374 4.095 . 0 0 "[ . 1]" 1
410 1 31 ILE MG 1 55 THR MG 1.800 . 3.300 2.877 2.515 3.222 . 0 0 "[ . 1]" 1
411 1 31 ILE MG 1 59 LEU MD2 1.800 . 3.300 2.365 2.145 2.726 . 0 0 "[ . 1]" 1
412 1 32 GLU H 1 32 GLU QG 1.800 . 4.200 3.851 2.353 4.100 . 0 0 "[ . 1]" 1
413 1 32 GLU H 1 33 GLU H 1.800 . 4.200 2.792 2.531 2.967 . 0 0 "[ . 1]" 1
414 1 32 GLU HA 1 32 GLU QG 1.800 . 2.800 2.366 2.256 2.741 . 0 0 "[ . 1]" 1
415 1 32 GLU HA 1 33 GLU H 1.800 . 4.200 3.547 3.521 3.563 . 0 0 "[ . 1]" 1
416 1 32 GLU HA 1 37 PHE QD 1.800 . 3.300 2.460 2.321 2.802 . 0 0 "[ . 1]" 1
417 1 32 GLU HA 1 37 PHE QE 1.800 . 3.300 3.052 2.357 3.388 0.088 8 0 "[ . 1]" 1
418 1 32 GLU HA 1 39 ILE MD 1.800 . 5.500 5.301 4.983 5.544 0.044 6 0 "[ . 1]" 1
419 1 32 GLU QB 1 33 GLU H 1.800 . 4.200 2.430 2.322 2.537 . 0 0 "[ . 1]" 1
420 1 32 GLU QG 1 37 PHE QE 1.800 . 4.200 3.081 2.632 4.225 0.025 4 0 "[ . 1]" 1
421 1 33 GLU H 1 33 GLU QB 1.800 . 2.800 2.240 2.103 2.340 . 0 0 "[ . 1]" 1
422 1 33 GLU H 1 33 GLU QG 1.800 . 4.200 2.777 2.304 3.850 . 0 0 "[ . 1]" 1
423 1 33 GLU H 1 34 THR H 1.800 . 3.300 2.636 2.580 2.688 . 0 0 "[ . 1]" 1
424 1 33 GLU HA 1 33 GLU QB 1.800 . 2.800 2.348 2.182 2.446 . 0 0 "[ . 1]" 1
425 1 33 GLU HA 1 33 GLU QG 1.800 . 4.200 2.706 2.284 3.459 . 0 0 "[ . 1]" 1
426 1 33 GLU QB 1 34 THR H 1.800 . 4.200 2.948 2.568 3.598 . 0 0 "[ . 1]" 1
427 1 35 GLY H 1 35 GLY QA 1.800 . 2.800 2.348 2.318 2.388 . 0 0 "[ . 1]" 1
428 1 35 GLY H 1 36 HIS H 1.800 . 4.200 2.691 2.158 4.385 0.185 2 0 "[ . 1]" 1
429 1 35 GLY QA 1 36 HIS H 1.800 . 4.200 2.681 2.132 2.934 . 0 0 "[ . 1]" 1
430 1 35 GLY QA 1 37 PHE QD 1.800 . 4.200 2.810 2.382 3.379 . 0 0 "[ . 1]" 1
431 1 35 GLY QA 1 37 PHE QE 1.800 . 5.500 2.371 2.298 2.860 . 0 0 "[ . 1]" 1
432 1 36 HIS H 1 36 HIS QB 1.800 . 3.300 2.613 2.291 3.397 0.097 2 0 "[ . 1]" 1
433 1 36 HIS H 1 36 HIS HD1 1.800 . 5.500 3.585 2.295 4.577 . 0 0 "[ . 1]" 1
434 1 36 HIS H 1 37 PHE H 1.800 . 4.200 3.265 2.119 3.799 . 0 0 "[ . 1]" 1
435 1 36 HIS H 1 37 PHE QD 1.800 . 5.500 3.248 1.858 3.754 . 0 0 "[ . 1]" 1
436 1 36 HIS HA 1 37 PHE H 1.800 . 3.300 2.612 2.454 2.749 . 0 0 "[ . 1]" 1
437 1 36 HIS HA 1 37 PHE QD 1.800 . 5.500 4.575 4.238 4.748 . 0 0 "[ . 1]" 1
438 1 36 HIS QB 1 37 PHE H 1.800 . 5.500 3.955 3.915 4.039 . 0 0 "[ . 1]" 1
439 1 37 PHE H 1 37 PHE QD 1.800 . 4.200 2.857 2.141 3.229 . 0 0 "[ . 1]" 1
440 1 37 PHE H 1 38 HIS H 1.800 . 5.500 4.390 4.360 4.407 . 0 0 "[ . 1]" 1
441 1 37 PHE HA 1 37 PHE QD 1.800 . 4.200 3.686 3.671 3.699 . 0 0 "[ . 1]" 1
442 1 37 PHE HA 1 38 HIS H 1.800 . 2.800 2.309 2.246 2.366 . 0 0 "[ . 1]" 1
443 1 37 PHE HA 1 46 PHE HA 1.800 . 3.300 3.252 2.920 3.357 0.057 2 0 "[ . 1]" 1
444 1 37 PHE HA 1 46 PHE QB 1.800 . 4.200 3.446 3.213 3.800 . 0 0 "[ . 1]" 1
445 1 37 PHE QB 1 38 HIS H 1.800 . 3.300 2.577 2.412 2.697 . 0 0 "[ . 1]" 1
446 1 37 PHE QB 1 46 PHE QB 1.800 . 4.200 3.067 2.859 3.266 . 0 0 "[ . 1]" 1
447 1 37 PHE QD 1 38 HIS H 1.800 . 4.200 3.221 2.894 3.776 . 0 0 "[ . 1]" 1
448 1 37 PHE QD 1 38 HIS HA 1.800 . 5.500 3.318 2.863 3.965 . 0 0 "[ . 1]" 1
449 1 37 PHE QD 1 39 ILE H 1.800 . 5.500 2.939 2.400 4.638 . 0 0 "[ . 1]" 1
450 1 37 PHE QD 1 39 ILE MD 1.800 . 4.200 3.082 2.568 3.617 . 0 0 "[ . 1]" 1
451 1 37 PHE QD 1 39 ILE QG 1.800 . 5.500 2.307 2.227 2.324 . 0 0 "[ . 1]" 1
452 1 37 PHE QD 1 39 ILE MG 1.800 . 5.500 4.765 4.652 4.974 . 0 0 "[ . 1]" 1
453 1 37 PHE QE 1 39 ILE MD 1.800 . 3.300 2.591 2.069 3.124 . 0 0 "[ . 1]" 1
454 1 37 PHE QE 1 39 ILE QG 1.800 . 4.200 3.229 2.305 3.994 . 0 0 "[ . 1]" 1
455 1 37 PHE QE 1 39 ILE MG 1.800 . 5.500 4.707 4.526 5.081 . 0 0 "[ . 1]" 1
456 1 38 HIS H 1 38 HIS HD1 1.800 . 5.500 3.481 2.104 4.632 . 0 0 "[ . 1]" 1
457 1 38 HIS HA 1 38 HIS QB 1.800 . 2.800 2.296 2.192 2.405 . 0 0 "[ . 1]" 1
458 1 38 HIS HA 1 39 ILE H 1.800 . 2.800 2.221 2.163 2.248 . 0 0 "[ . 1]" 1
459 1 38 HIS QB 1 39 ILE H 1.800 . 4.200 3.719 3.535 3.947 . 0 0 "[ . 1]" 1
460 1 38 HIS HD1 1 39 ILE H 1.800 . 5.500 4.418 2.875 5.062 . 0 0 "[ . 1]" 1
461 1 39 ILE H 1 39 ILE HB 1.800 . 3.300 2.458 2.297 2.717 . 0 0 "[ . 1]" 1
462 1 39 ILE H 1 39 ILE MD 1.800 . 4.200 3.718 3.493 4.213 0.013 10 0 "[ . 1]" 1
463 1 39 ILE H 1 39 ILE QG 1.800 . 4.200 2.651 2.098 3.152 . 0 0 "[ . 1]" 1
464 1 39 ILE H 1 39 ILE MG 1.800 . 4.200 3.760 3.694 3.862 . 0 0 "[ . 1]" 1
465 1 39 ILE HA 1 39 ILE MD 1.800 . 4.200 3.795 3.722 3.829 . 0 0 "[ . 1]" 1
466 1 39 ILE HA 1 39 ILE QG 1.800 . 4.200 2.363 2.295 2.456 . 0 0 "[ . 1]" 1
467 1 39 ILE HA 1 39 ILE MG 1.800 . 2.800 2.414 2.339 2.512 . 0 0 "[ . 1]" 1
468 1 39 ILE HA 1 40 THR H 1.800 . 2.800 2.175 2.147 2.213 . 0 0 "[ . 1]" 1
469 1 39 ILE HA 1 44 PHE H 1.800 . 5.500 5.498 5.374 5.574 0.074 6 0 "[ . 1]" 1
470 1 39 ILE HA 1 44 PHE HA 1.800 . 3.300 3.150 2.959 3.283 . 0 0 "[ . 1]" 1
471 1 39 ILE HB 1 39 ILE MD 1.800 . 3.300 2.296 2.235 2.483 . 0 0 "[ . 1]" 1
472 1 39 ILE HB 1 40 THR H 1.800 . 4.200 4.219 4.183 4.258 0.058 1 0 "[ . 1]" 1
473 1 39 ILE MD 1 39 ILE QG 1.800 . 2.800 1.915 1.906 1.918 . 0 0 "[ . 1]" 1
474 1 39 ILE MD 1 40 THR H 1.800 . 5.500 5.045 4.972 5.124 . 0 0 "[ . 1]" 1
475 1 39 ILE MD 1 44 PHE HA 1.800 . 4.200 3.869 3.765 3.989 . 0 0 "[ . 1]" 1
476 1 39 ILE MD 1 44 PHE QB 1.800 . 4.200 3.733 3.429 3.954 . 0 0 "[ . 1]" 1
477 1 39 ILE MD 1 44 PHE QD 1.800 . 3.300 2.390 2.230 2.637 . 0 0 "[ . 1]" 1
478 1 39 ILE MD 2 15 LEU HA 1.800 . 4.200 4.381 4.251 4.588 0.388 8 0 "[ . 1]" 1
479 1 39 ILE QG 1 39 ILE MG 1.800 . 3.300 2.282 2.236 2.382 . 0 0 "[ . 1]" 1
480 1 39 ILE QG 1 44 PHE QD 1.800 . 4.200 2.269 2.176 2.519 . 0 0 "[ . 1]" 1
481 1 39 ILE MG 1 40 THR H 1.800 . 3.300 2.527 2.376 2.763 . 0 0 "[ . 1]" 1
482 1 39 ILE MG 1 44 PHE QB 1.800 . 4.200 3.996 3.286 4.257 0.057 1 0 "[ . 1]" 1
483 1 39 ILE MG 1 44 PHE QD 1.800 . 4.200 3.900 3.030 4.178 . 0 0 "[ . 1]" 1
484 1 39 ILE MG 2 10 LEU MD2 1.800 . 2.800 2.710 2.262 2.858 0.058 10 0 "[ . 1]" 1
485 1 40 THR H 1 41 ASN H 1.800 . 5.500 4.389 4.307 4.423 . 0 0 "[ . 1]" 1
486 1 40 THR H 1 42 THR H 1.800 . 5.500 4.860 4.647 5.187 . 0 0 "[ . 1]" 1
487 1 40 THR H 1 43 THR H 1.800 . 4.200 3.546 3.372 3.769 . 0 0 "[ . 1]" 1
488 1 40 THR HA 1 41 ASN H 1.800 . 2.800 2.509 2.299 2.816 0.016 1 0 "[ . 1]" 1
489 1 41 ASN H 1 42 THR H 1.800 . 4.200 3.932 3.230 4.253 0.053 2 0 "[ . 1]" 1
490 1 41 ASN HA 1 42 THR H 1.800 . 4.200 3.489 3.433 3.575 . 0 0 "[ . 1]" 1
491 1 42 THR H 1 43 THR H 1.800 . 3.300 3.247 3.190 3.314 0.014 7 0 "[ . 1]" 1
492 1 42 THR H 1 43 THR MG 1.800 . 5.500 4.520 4.341 4.932 . 0 0 "[ . 1]" 1
493 1 42 THR H 2 10 LEU MD1 1.800 . 5.500 4.304 4.211 4.457 . 0 0 "[ . 1]" 1
494 1 42 THR HA 1 42 THR HB 1.800 . 2.800 2.640 2.355 3.005 0.205 7 0 "[ . 1]" 1
495 1 43 THR H 1 43 THR MG 1.800 . 4.200 3.954 3.904 4.067 . 0 0 "[ . 1]" 1
496 1 43 THR HA 1 43 THR MG 1.800 . 3.300 2.180 2.168 2.191 . 0 0 "[ . 1]" 1
497 1 43 THR HA 2 10 LEU QB 1.800 . 4.200 4.249 4.005 4.307 0.107 10 0 "[ . 1]" 1
498 1 43 THR HB 2 7 SER HA 1.800 . 4.200 4.268 4.215 4.309 0.109 1 0 "[ . 1]" 1
499 1 43 THR HB 2 7 SER QB 1.800 . 4.200 3.160 2.861 3.698 . 0 0 "[ . 1]" 1
500 1 43 THR MG 1 44 PHE H 1.800 . 4.200 2.547 2.110 2.753 . 0 0 "[ . 1]" 1
501 1 43 THR MG 2 7 SER HA 1.800 . 4.200 3.852 3.311 4.161 . 0 0 "[ . 1]" 1
502 1 43 THR MG 2 7 SER QB 1.800 . 3.300 2.428 2.193 2.927 . 0 0 "[ . 1]" 1
503 1 43 THR MG 2 9 PRO HA 1.800 . 3.300 2.528 2.327 2.844 . 0 0 "[ . 1]" 1
504 1 43 THR MG 2 9 PRO QB 1.800 . 4.200 3.819 3.487 4.205 0.005 1 0 "[ . 1]" 1
505 1 43 THR MG 2 10 LEU H 1.800 . 4.200 3.596 3.493 3.737 . 0 0 "[ . 1]" 1
506 1 44 PHE H 1 44 PHE QD 1.800 . 5.500 4.185 4.074 4.226 . 0 0 "[ . 1]" 1
507 1 44 PHE H 1 45 ASP H 1.800 . 5.500 4.006 3.969 4.067 . 0 0 "[ . 1]" 1
508 1 44 PHE H 2 7 SER HA 1.800 . 5.500 3.750 3.626 4.047 . 0 0 "[ . 1]" 1
509 1 44 PHE H 2 8 ILE HB 1.800 . 4.200 3.917 3.618 4.301 0.101 8 0 "[ . 1]" 1
510 1 44 PHE H 2 10 LEU MD2 1.800 . 4.200 3.151 2.795 3.902 . 0 0 "[ . 1]" 1
511 1 44 PHE HA 1 44 PHE QD 1.800 . 4.200 2.671 2.561 2.744 . 0 0 "[ . 1]" 1
512 1 44 PHE QB 2 8 ILE H 1.800 . 5.500 2.953 2.744 3.305 . 0 0 "[ . 1]" 1
513 1 44 PHE QB 2 8 ILE HB 1.800 . 3.300 2.567 2.308 3.374 0.074 9 0 "[ . 1]" 1
514 1 44 PHE QB 2 8 ILE MD 1.800 . 4.200 3.472 2.676 3.879 . 0 0 "[ . 1]" 1
515 1 44 PHE QB 2 10 LEU MD2 1.800 . 2.800 2.163 2.037 2.338 . 0 0 "[ . 1]" 1
516 1 44 PHE QD 1 45 ASP H 1.800 . 5.500 3.911 3.614 4.056 . 0 0 "[ . 1]" 1
517 1 44 PHE QD 2 8 ILE H 1.800 . 5.500 3.567 3.342 3.833 . 0 0 "[ . 1]" 1
518 1 44 PHE QD 2 8 ILE HB 1.800 . 4.200 2.861 2.334 4.250 0.050 9 0 "[ . 1]" 1
519 1 44 PHE QD 2 8 ILE QG 1.800 . 4.200 2.813 2.280 3.296 . 0 0 "[ . 1]" 1
520 1 44 PHE QD 2 10 LEU MD2 1.800 . 4.200 3.553 3.259 4.060 . 0 0 "[ . 1]" 1
521 1 44 PHE QD 2 15 LEU MD2 1.800 . 3.300 2.965 2.255 3.360 0.060 8 0 "[ . 1]" 1
522 1 44 PHE QE 1 46 PHE QB 1.800 . 5.500 3.144 2.843 3.472 . 0 0 "[ . 1]" 1
523 1 44 PHE QE 2 6 VAL HB 1.800 . 5.500 5.455 5.129 5.614 0.114 8 0 "[ . 1]" 1
524 1 44 PHE QE 2 8 ILE MD 1.800 . 3.300 3.055 2.685 3.315 0.015 7 0 "[ . 1]" 1
525 1 44 PHE QE 2 8 ILE QG 1.800 . 5.500 4.328 3.696 4.798 . 0 0 "[ . 1]" 1
526 1 45 ASP HA 1 46 PHE H 1.800 . 2.800 2.198 2.177 2.211 . 0 0 "[ . 1]" 1
527 1 45 ASP HA 2 7 SER HA 1.800 . 3.300 2.445 2.341 2.600 . 0 0 "[ . 1]" 1
528 1 45 ASP HA 2 8 ILE H 1.800 . 5.500 3.853 3.751 3.900 . 0 0 "[ . 1]" 1
529 1 45 ASP QB 1 46 PHE H 1.800 . 4.200 3.046 2.847 3.591 . 0 0 "[ . 1]" 1
530 1 46 PHE H 1 46 PHE QD 1.800 . 4.200 2.560 2.416 2.780 . 0 0 "[ . 1]" 1
531 1 46 PHE H 2 6 VAL H 1.800 . 4.200 2.405 2.286 2.701 . 0 0 "[ . 1]" 1
532 1 46 PHE H 2 6 VAL HB 1.800 . 4.200 3.522 2.734 3.730 . 0 0 "[ . 1]" 1
533 1 46 PHE H 2 7 SER HA 1.800 . 4.200 4.234 4.188 4.315 0.115 3 0 "[ . 1]" 1
534 1 46 PHE HA 1 46 PHE QB 1.800 . 2.800 2.188 2.184 2.193 . 0 0 "[ . 1]" 1
535 1 46 PHE HA 1 46 PHE QD 1.800 . 4.200 3.681 3.640 3.710 . 0 0 "[ . 1]" 1
536 1 46 PHE HA 1 47 ASP H 1.800 . 3.300 2.320 2.215 2.440 . 0 0 "[ . 1]" 1
537 1 46 PHE QB 1 47 ASP H 1.800 . 3.300 2.792 2.511 3.063 . 0 0 "[ . 1]" 1
538 1 46 PHE QD 1 47 ASP H 1.800 . 4.200 3.842 3.427 4.066 . 0 0 "[ . 1]" 1
539 1 46 PHE QD 1 48 LEU HA 1.800 . 5.500 3.810 3.621 3.996 . 0 0 "[ . 1]" 1
540 1 46 PHE QD 1 48 LEU MD2 1.800 . 3.300 2.820 2.638 2.985 . 0 0 "[ . 1]" 1
541 1 46 PHE QD 2 6 VAL HB 1.800 . 5.500 3.595 3.494 3.694 . 0 0 "[ . 1]" 1
542 1 46 PHE QE 2 6 VAL HB 1.800 . 5.500 2.830 2.688 3.220 . 0 0 "[ . 1]" 1
543 1 47 ASP H 1 47 ASP QB 1.800 . 3.300 2.541 2.311 2.930 . 0 0 "[ . 1]" 1
544 1 47 ASP H 1 48 LEU MD2 1.800 . 5.500 4.419 4.354 4.490 . 0 0 "[ . 1]" 1
545 1 47 ASP HA 1 48 LEU H 1.800 . 2.800 2.236 2.174 2.276 . 0 0 "[ . 1]" 1
546 1 47 ASP HA 1 48 LEU QB 1.800 . 4.200 4.349 4.316 4.400 0.200 3 0 "[ . 1]" 1
547 1 47 ASP HA 2 4 LEU H 1.800 . 5.500 3.403 3.222 3.862 . 0 0 "[ . 1]" 1
548 1 47 ASP HA 2 5 PRO HA 1.800 . 2.800 2.908 2.876 2.947 0.147 2 0 "[ . 1]" 1
549 1 47 ASP HA 2 6 VAL H 1.800 . 4.200 3.949 3.696 4.087 . 0 0 "[ . 1]" 1
550 1 47 ASP QB 1 50 SER H 1.800 . 4.200 2.887 2.520 3.581 . 0 0 "[ . 1]" 1
551 1 48 LEU H 1 48 LEU QB 1.800 . 3.300 2.280 2.243 2.326 . 0 0 "[ . 1]" 1
552 1 48 LEU H 1 48 LEU HG 1.800 . 4.200 3.710 3.614 3.782 . 0 0 "[ . 1]" 1
553 1 48 LEU H 1 49 CYS H 1.800 . 4.200 2.419 2.343 2.510 . 0 0 "[ . 1]" 1
554 1 48 LEU H 2 4 LEU H 1.800 . 5.500 3.198 3.023 3.548 . 0 0 "[ . 1]" 1
555 1 48 LEU H 2 4 LEU QB 1.800 . 4.200 2.355 2.267 2.534 . 0 0 "[ . 1]" 1
556 1 48 LEU HA 1 48 LEU MD2 1.800 . 2.800 2.325 2.243 2.486 . 0 0 "[ . 1]" 1
557 1 48 LEU HA 1 48 LEU HG 1.800 . 4.200 3.709 3.672 3.741 . 0 0 "[ . 1]" 1
558 1 48 LEU HA 1 49 CYS H 1.800 . 4.200 3.422 3.367 3.534 . 0 0 "[ . 1]" 1
559 1 48 LEU HA 1 50 SER H 1.800 . 4.200 3.623 3.404 3.806 . 0 0 "[ . 1]" 1
560 1 48 LEU HA 1 51 LEU H 1.800 . 4.200 4.063 3.966 4.152 . 0 0 "[ . 1]" 1
561 1 48 LEU HA 1 51 LEU MD1 1.800 . 3.300 2.430 2.274 2.544 . 0 0 "[ . 1]" 1
562 1 48 LEU HA 1 51 LEU HG 1.800 . 3.300 2.512 2.332 2.830 . 0 0 "[ . 1]" 1
563 1 48 LEU QB 1 48 LEU MD2 1.800 . 2.800 2.405 2.315 2.457 . 0 0 "[ . 1]" 1
564 1 48 LEU QB 1 48 LEU HG 1.800 . 2.800 2.186 2.181 2.193 . 0 0 "[ . 1]" 1
565 1 48 LEU QB 1 49 CYS H 1.800 . 4.200 2.994 2.566 3.167 . 0 0 "[ . 1]" 1
566 1 48 LEU QB 1 51 LEU MD1 1.800 . 2.800 2.791 2.667 2.844 0.044 10 0 "[ . 1]" 1
567 1 48 LEU QB 2 4 LEU QB 1.800 . 3.300 2.240 2.211 2.269 . 0 0 "[ . 1]" 1
568 1 48 LEU QB 2 4 LEU MD1 1.800 . 3.300 2.207 2.091 2.420 . 0 0 "[ . 1]" 1
569 1 48 LEU QB 2 4 LEU MD2 1.800 . 4.200 4.150 4.041 4.227 0.027 5 0 "[ . 1]" 1
570 1 48 LEU HG 2 4 LEU MD1 1.800 . 2.800 2.910 2.847 2.965 0.165 10 0 "[ . 1]" 1
571 1 49 CYS H 1 49 CYS QB 1.800 . 3.300 2.267 2.225 2.315 . 0 0 "[ . 1]" 1
572 1 49 CYS H 1 50 SER H 1.800 . 3.300 2.408 2.278 2.730 . 0 0 "[ . 1]" 1
573 1 49 CYS H 2 4 LEU H 1.800 . 4.200 3.626 3.434 3.739 . 0 0 "[ . 1]" 1
574 1 49 CYS H 2 4 LEU MD1 1.800 . 5.500 3.934 3.624 4.154 . 0 0 "[ . 1]" 1
575 1 49 CYS HA 1 50 SER H 1.800 . 3.300 3.353 3.310 3.396 0.096 3 0 "[ . 1]" 1
576 1 49 CYS HA 1 51 LEU H 1.800 . 4.200 3.374 3.333 3.433 . 0 0 "[ . 1]" 1
577 1 49 CYS QB 1 50 SER H 1.800 . 4.200 3.215 3.069 3.380 . 0 0 "[ . 1]" 1
578 1 49 CYS QB 2 3 LYS HA 1.800 . 2.800 2.906 2.867 2.960 0.160 5 0 "[ . 1]" 1
579 1 49 CYS QB 2 4 LEU H 1.800 . 4.200 3.763 3.495 3.919 . 0 0 "[ . 1]" 1
580 1 50 SER H 1 51 LEU H 1.800 . 3.300 2.514 2.472 2.583 . 0 0 "[ . 1]" 1
581 1 50 SER H 1 51 LEU HG 1.800 . 4.200 3.261 3.157 3.415 . 0 0 "[ . 1]" 1
582 1 50 SER HA 1 51 LEU H 1.800 . 4.200 3.197 3.133 3.251 . 0 0 "[ . 1]" 1
583 1 51 LEU H 1 51 LEU QB 1.800 . 3.300 2.511 2.449 2.623 . 0 0 "[ . 1]" 1
584 1 51 LEU H 1 51 LEU MD1 1.800 . 4.200 3.535 3.309 3.683 . 0 0 "[ . 1]" 1
585 1 51 LEU H 1 51 LEU HG 1.800 . 3.300 2.170 1.967 2.358 . 0 0 "[ . 1]" 1
586 1 51 LEU HA 1 51 LEU MD1 1.800 . 4.200 3.865 3.828 3.895 . 0 0 "[ . 1]" 1
587 1 51 LEU HA 1 51 LEU MD2 1.800 . 2.800 2.186 2.111 2.253 . 0 0 "[ . 1]" 1
588 1 51 LEU HA 1 51 LEU HG 1.800 . 4.200 3.082 2.831 3.236 . 0 0 "[ . 1]" 1
589 1 51 LEU HA 1 52 ASP H 1.800 . 2.800 2.310 2.178 2.630 . 0 0 "[ . 1]" 1
590 1 51 LEU QB 1 52 ASP H 1.800 . 4.200 2.679 2.003 3.132 . 0 0 "[ . 1]" 1
591 1 51 LEU QB 1 55 THR HB 1.800 . 4.200 3.225 2.987 3.469 . 0 0 "[ . 1]" 1
592 1 51 LEU MD1 1 56 VAL HA 1.800 . 4.200 3.041 2.888 3.250 . 0 0 "[ . 1]" 1
593 1 51 LEU MD1 1 60 GLN H 1.800 . 5.500 4.975 4.688 5.200 . 0 0 "[ . 1]" 1
594 1 51 LEU MD1 1 60 GLN QG 1.800 . 4.200 4.328 4.258 4.417 0.217 8 0 "[ . 1]" 1
595 1 51 LEU MD2 1 52 ASP H 1.800 . 4.200 3.580 3.373 3.811 . 0 0 "[ . 1]" 1
596 1 52 ASP H 1 52 ASP QB 1.800 . 3.300 2.568 2.277 2.739 . 0 0 "[ . 1]" 1
597 1 52 ASP HA 1 53 LYS H 1.800 . 3.300 2.223 2.162 2.311 . 0 0 "[ . 1]" 1
598 1 52 ASP HA 1 53 LYS HA 1.800 . 4.200 4.305 4.283 4.318 0.118 3 0 "[ . 1]" 1
599 1 52 ASP QB 1 53 LYS H 1.800 . 3.300 3.027 2.846 3.347 0.047 2 0 "[ . 1]" 1
600 1 52 ASP QB 1 54 THR H 1.800 . 4.200 3.128 2.873 3.403 . 0 0 "[ . 1]" 1
601 1 52 ASP QB 1 54 THR HB 1.800 . 4.200 3.570 3.371 3.689 . 0 0 "[ . 1]" 1
602 1 52 ASP QB 1 55 THR H 1.800 . 4.200 2.352 2.208 2.413 . 0 0 "[ . 1]" 1
603 1 53 LYS H 1 53 LYS QB 1.800 . 2.800 2.410 2.193 2.710 . 0 0 "[ . 1]" 1
604 1 53 LYS H 1 53 LYS QD 1.800 . 4.200 2.765 1.741 3.867 0.059 9 0 "[ . 1]" 1
605 1 53 LYS H 1 53 LYS QG 1.800 . 4.200 2.871 1.795 4.058 0.005 8 0 "[ . 1]" 1
606 1 53 LYS H 1 54 THR H 1.800 . 4.200 3.045 2.734 3.133 . 0 0 "[ . 1]" 1
607 1 53 LYS HA 1 53 LYS QB 1.800 . 2.800 2.435 2.313 2.503 . 0 0 "[ . 1]" 1
608 1 53 LYS HA 1 53 LYS QD 1.800 . 4.200 2.728 2.285 4.108 . 0 0 "[ . 1]" 1
609 1 53 LYS HA 1 53 LYS QG 1.800 . 3.300 2.413 2.310 2.687 . 0 0 "[ . 1]" 1
610 1 53 LYS HA 1 54 THR H 1.800 . 4.200 3.565 3.508 3.578 . 0 0 "[ . 1]" 1
611 1 53 LYS HA 1 56 VAL H 1.800 . 3.300 3.359 3.345 3.393 0.093 8 0 "[ . 1]" 1
612 1 53 LYS HA 1 56 VAL HB 1.800 . 2.800 2.701 2.480 2.821 0.021 7 0 "[ . 1]" 1
613 1 53 LYS HA 1 56 VAL MG1 1.800 . 4.200 4.007 3.811 4.139 . 0 0 "[ . 1]" 1
614 1 53 LYS HA 1 56 VAL MG2 1.800 . 3.300 2.773 2.604 3.013 . 0 0 "[ . 1]" 1
615 1 53 LYS QB 1 53 LYS QD 1.800 . 2.800 2.304 2.136 2.760 . 0 0 "[ . 1]" 1
616 1 53 LYS QB 1 54 THR H 1.800 . 3.300 2.427 2.237 2.771 . 0 0 "[ . 1]" 1
617 1 53 LYS QD 1 53 LYS QE 1.800 . 4.200 2.060 2.006 2.103 . 0 0 "[ . 1]" 1
618 1 53 LYS QE 1 53 LYS QG 1.800 . 4.200 2.262 2.121 2.421 . 0 0 "[ . 1]" 1
619 1 54 THR H 1 54 THR HB 1.800 . 3.300 2.652 2.446 2.697 . 0 0 "[ . 1]" 1
620 1 54 THR H 1 54 THR MG 1.800 . 4.200 3.737 3.731 3.760 . 0 0 "[ . 1]" 1
621 1 54 THR H 1 55 THR H 1.800 . 3.300 2.537 2.370 2.567 . 0 0 "[ . 1]" 1
622 1 54 THR HA 1 54 THR HB 1.800 . 2.800 2.992 2.990 2.997 0.197 7 0 "[ . 1]" 1
623 1 54 THR HA 1 54 THR MG 1.800 . 2.800 2.290 2.243 2.338 . 0 0 "[ . 1]" 1
624 1 54 THR HA 1 57 ARG H 1.800 . 4.200 3.744 3.668 3.789 . 0 0 "[ . 1]" 1
625 1 54 THR HA 1 57 ARG QB 1.800 . 3.300 3.351 3.317 3.392 0.092 5 0 "[ . 1]" 1
626 1 54 THR HA 1 57 ARG QG 1.800 . 4.200 3.603 3.248 3.938 . 0 0 "[ . 1]" 1
627 1 54 THR HB 1 55 THR H 1.800 . 3.300 2.957 2.843 3.042 . 0 0 "[ . 1]" 1
628 1 55 THR H 1 55 THR HB 1.800 . 3.300 2.495 2.397 2.691 . 0 0 "[ . 1]" 1
629 1 55 THR HA 1 55 THR MG 1.800 . 2.800 2.319 2.289 2.365 . 0 0 "[ . 1]" 1
630 1 55 THR HA 1 56 VAL H 1.800 . 4.200 3.474 3.453 3.503 . 0 0 "[ . 1]" 1
631 1 55 THR HA 1 58 LYS H 1.800 . 4.200 3.253 3.210 3.336 . 0 0 "[ . 1]" 1
632 1 55 THR HA 1 58 LYS QB 1.800 . 4.200 2.687 2.344 3.043 . 0 0 "[ . 1]" 1
633 1 55 THR HA 1 58 LYS QG 1.800 . 4.200 3.392 2.983 3.991 . 0 0 "[ . 1]" 1
634 1 55 THR HB 1 56 VAL H 1.800 . 3.300 3.018 2.907 3.115 . 0 0 "[ . 1]" 1
635 1 55 THR MG 1 56 VAL HA 1.800 . 4.200 3.720 3.537 4.145 . 0 0 "[ . 1]" 1
636 1 55 THR MG 1 58 LYS H 1.800 . 4.200 4.238 4.198 4.264 0.064 4 0 "[ . 1]" 1
637 1 55 THR MG 1 59 LEU H 1.800 . 4.200 3.892 3.734 4.023 . 0 0 "[ . 1]" 1
638 1 56 VAL H 1 56 VAL HB 1.800 . 3.300 2.360 2.294 2.393 . 0 0 "[ . 1]" 1
639 1 56 VAL H 1 56 VAL MG1 1.800 . 4.200 3.726 3.701 3.737 . 0 0 "[ . 1]" 1
640 1 56 VAL H 1 56 VAL MG2 1.800 . 3.300 2.348 2.251 2.483 . 0 0 "[ . 1]" 1
641 1 56 VAL H 1 57 ARG H 1.800 . 3.300 2.536 2.415 2.607 . 0 0 "[ . 1]" 1
642 1 56 VAL HA 1 56 VAL MG1 1.800 . 2.800 2.435 2.404 2.505 . 0 0 "[ . 1]" 1
643 1 56 VAL HA 1 56 VAL MG2 1.800 . 2.800 2.324 2.294 2.345 . 0 0 "[ . 1]" 1
644 1 56 VAL HA 1 57 ARG H 1.800 . 4.200 3.515 3.483 3.542 . 0 0 "[ . 1]" 1
645 1 56 VAL HA 1 59 LEU H 1.800 . 4.200 3.249 3.025 3.390 . 0 0 "[ . 1]" 1
646 1 56 VAL HA 1 59 LEU QB 1.800 . 3.300 2.420 2.246 2.756 . 0 0 "[ . 1]" 1
647 1 56 VAL HB 1 57 ARG H 1.800 . 3.300 2.771 2.584 2.923 . 0 0 "[ . 1]" 1
648 1 56 VAL MG1 1 57 ARG H 1.800 . 4.200 3.381 3.209 3.544 . 0 0 "[ . 1]" 1
649 1 56 VAL MG1 1 57 ARG HA 1.800 . 4.200 3.374 3.286 3.473 . 0 0 "[ . 1]" 1
650 1 56 VAL MG1 1 60 GLN QG 1.800 . 3.300 2.516 2.189 2.861 . 0 0 "[ . 1]" 1
651 1 56 VAL MG2 1 57 ARG H 1.800 . 4.200 3.989 3.927 4.089 . 0 0 "[ . 1]" 1
652 1 57 ARG H 1 57 ARG QB 1.800 . 3.300 2.283 2.232 2.491 . 0 0 "[ . 1]" 1
653 1 57 ARG H 1 57 ARG QG 1.800 . 3.300 2.527 2.057 2.657 . 0 0 "[ . 1]" 1
654 1 57 ARG H 1 58 LYS H 1.800 . 3.300 2.540 2.449 2.700 . 0 0 "[ . 1]" 1
655 1 57 ARG HA 1 57 ARG QD 1.800 . 3.300 2.517 2.293 3.324 0.024 1 0 "[ . 1]" 1
656 1 57 ARG HA 1 57 ARG QG 1.800 . 3.300 2.545 2.416 2.995 . 0 0 "[ . 1]" 1
657 1 57 ARG HA 1 59 LEU H 1.800 . 4.200 4.139 4.058 4.221 0.021 5 0 "[ . 1]" 1
658 1 57 ARG HA 1 60 GLN H 1.800 . 4.200 3.896 3.726 4.148 . 0 0 "[ . 1]" 1
659 1 57 ARG HA 1 60 GLN QB 1.800 . 3.300 3.242 3.095 3.311 0.011 1 0 "[ . 1]" 1
660 1 57 ARG HA 1 60 GLN QG 1.800 . 4.200 4.187 4.058 4.235 0.035 4 0 "[ . 1]" 1
661 1 57 ARG HA 1 61 SER H 1.800 . 4.200 4.275 4.221 4.354 0.154 9 0 "[ . 1]" 1
662 1 57 ARG QB 1 58 LYS H 1.800 . 4.200 2.797 2.549 2.936 . 0 0 "[ . 1]" 1
663 1 58 LYS H 1 58 LYS QB 1.800 . 3.300 2.363 2.243 2.488 . 0 0 "[ . 1]" 1
664 1 58 LYS H 1 58 LYS QG 1.800 . 3.300 2.523 2.254 3.404 0.104 5 0 "[ . 1]" 1
665 1 58 LYS H 1 59 LEU H 1.800 . 3.300 2.333 2.261 2.445 . 0 0 "[ . 1]" 1
666 1 58 LYS HA 1 58 LYS QB 1.800 . 2.800 2.394 2.339 2.452 . 0 0 "[ . 1]" 1
667 1 58 LYS HA 1 58 LYS QD 1.800 . 4.200 3.633 2.298 4.194 . 0 0 "[ . 1]" 1
668 1 58 LYS HA 1 58 LYS QG 1.800 . 3.300 2.378 2.314 2.523 . 0 0 "[ . 1]" 1
669 1 58 LYS HA 1 59 LEU H 1.800 . 4.200 3.466 3.450 3.492 . 0 0 "[ . 1]" 1
670 1 58 LYS QB 1 58 LYS QG 1.800 . 2.800 2.090 2.005 2.109 . 0 0 "[ . 1]" 1
671 1 58 LYS QB 1 59 LEU H 1.800 . 4.200 2.881 2.792 2.944 . 0 0 "[ . 1]" 1
672 1 58 LYS QB 1 59 LEU HA 1.800 . 4.200 3.974 3.941 4.001 . 0 0 "[ . 1]" 1
673 1 58 LYS QG 1 61 SER QB 1.800 . 5.500 4.444 4.084 5.054 . 0 0 "[ . 1]" 1
674 1 59 LEU H 1 59 LEU QB 1.800 . 3.300 2.226 2.154 2.326 . 0 0 "[ . 1]" 1
675 1 59 LEU H 1 59 LEU HG 1.800 . 5.500 3.627 2.557 4.616 . 0 0 "[ . 1]" 1
676 1 59 LEU H 1 60 GLN H 1.800 . 4.200 2.669 2.523 2.829 . 0 0 "[ . 1]" 1
677 1 59 LEU HA 1 59 LEU MD2 1.800 . 2.800 2.188 2.146 2.231 . 0 0 "[ . 1]" 1
678 1 59 LEU HA 1 59 LEU HG 1.800 . 4.200 3.150 2.620 3.648 . 0 0 "[ . 1]" 1
679 1 59 LEU HA 1 60 GLN H 1.800 . 4.200 3.561 3.551 3.571 . 0 0 "[ . 1]" 1
680 1 59 LEU HA 1 62 TYR QB 1.800 . 4.200 3.357 3.144 3.546 . 0 0 "[ . 1]" 1
681 1 59 LEU HA 1 62 TYR QD 1.800 . 3.300 2.322 2.301 2.347 . 0 0 "[ . 1]" 1
682 1 59 LEU HA 1 62 TYR QE 1.800 . 4.200 4.000 3.809 4.172 . 0 0 "[ . 1]" 1
683 1 59 LEU QB 1 60 GLN H 1.800 . 3.300 2.227 2.017 2.435 . 0 0 "[ . 1]" 1
684 1 59 LEU MD2 1 62 TYR QD 1.800 . 4.200 3.060 2.750 3.288 . 0 0 "[ . 1]" 1
685 1 59 LEU MD2 1 62 TYR QE 1.800 . 4.200 3.917 3.303 4.282 0.082 10 0 "[ . 1]" 1
686 1 60 GLN H 1 60 GLN QB 1.800 . 3.300 2.498 2.414 2.557 . 0 0 "[ . 1]" 1
687 1 60 GLN H 1 60 GLN QG 1.800 . 3.300 1.965 1.843 2.131 . 0 0 "[ . 1]" 1
688 1 60 GLN H 1 61 SER H 1.800 . 3.300 2.717 2.590 2.868 . 0 0 "[ . 1]" 1
689 1 60 GLN HA 1 60 GLN QG 1.800 . 3.300 2.416 2.281 2.461 . 0 0 "[ . 1]" 1
690 1 60 GLN QB 1 60 GLN QG 1.800 . 3.300 2.104 2.102 2.106 . 0 0 "[ . 1]" 1
691 1 60 GLN QB 1 61 SER H 1.800 . 3.300 2.855 2.812 2.918 . 0 0 "[ . 1]" 1
692 1 60 GLN QB 1 61 SER HA 1.800 . 4.200 3.953 3.935 3.964 . 0 0 "[ . 1]" 1
693 1 60 GLN QG 1 61 SER H 1.800 . 5.500 4.095 4.043 4.152 . 0 0 "[ . 1]" 1
694 1 61 SER H 1 61 SER QB 1.800 . 3.300 2.293 2.184 2.422 . 0 0 "[ . 1]" 1
695 1 61 SER HA 1 64 GLU H 1.800 . 4.200 3.205 2.735 3.606 . 0 0 "[ . 1]" 1
696 1 61 SER HA 1 64 GLU QB 1.800 . 4.200 3.472 2.325 4.219 0.019 8 0 "[ . 1]" 1
697 1 62 TYR H 1 62 TYR QB 1.800 . 3.300 2.335 2.244 2.379 . 0 0 "[ . 1]" 1
698 1 62 TYR H 1 62 TYR QD 1.800 . 4.200 3.002 2.923 3.122 . 0 0 "[ . 1]" 1
699 1 62 TYR H 1 62 TYR QE 1.800 . 5.500 4.662 4.538 4.880 . 0 0 "[ . 1]" 1
700 1 62 TYR HA 1 62 TYR QD 1.800 . 3.300 2.292 2.273 2.304 . 0 0 "[ . 1]" 1
701 1 62 TYR HA 1 62 TYR QE 1.800 . 4.200 4.253 4.224 4.276 0.076 6 0 "[ . 1]" 1
702 1 62 TYR QB 1 63 LEU H 1.800 . 4.200 2.893 2.292 3.244 . 0 0 "[ . 1]" 1
703 1 62 TYR QD 1 63 LEU H 1.800 . 5.500 4.631 4.270 4.811 . 0 0 "[ . 1]" 1
704 1 63 LEU H 1 63 LEU QB 1.800 . 3.300 2.544 2.294 2.648 . 0 0 "[ . 1]" 1
705 1 63 LEU H 1 63 LEU HG 1.800 . 3.300 2.200 1.803 3.182 . 0 0 "[ . 1]" 1
706 1 63 LEU HA 1 63 LEU MD2 1.800 . 2.800 2.189 2.120 2.272 . 0 0 "[ . 1]" 1
707 1 63 LEU HA 1 63 LEU HG 1.800 . 4.200 3.050 2.535 3.385 . 0 0 "[ . 1]" 1
708 1 63 LEU QB 1 63 LEU MD2 1.800 . 2.800 2.247 2.174 2.346 . 0 0 "[ . 1]" 1
709 1 63 LEU QB 1 64 GLU H 1.800 . 4.200 2.568 2.094 3.154 . 0 0 "[ . 1]" 1
710 1 64 GLU H 1 64 GLU HA 1.800 . 2.800 2.695 2.292 2.914 0.114 7 0 "[ . 1]" 1
711 1 64 GLU H 1 64 GLU QB 1.800 . 3.300 2.606 2.225 2.940 . 0 0 "[ . 1]" 1
712 1 64 GLU H 1 64 GLU QG 1.800 . 4.200 3.400 1.955 4.253 0.053 4 0 "[ . 1]" 1
713 1 64 GLU H 1 65 THR H 1.800 . 3.300 2.986 2.591 3.343 0.043 9 0 "[ . 1]" 1
714 1 64 GLU HA 1 64 GLU QB 1.800 . 2.800 2.392 2.317 2.458 . 0 0 "[ . 1]" 1
715 1 64 GLU HA 1 64 GLU QG 1.800 . 3.300 2.471 2.276 2.791 . 0 0 "[ . 1]" 1
716 1 64 GLU HA 1 65 THR H 1.800 . 3.300 2.856 2.267 3.538 0.238 10 0 "[ . 1]" 1
717 1 64 GLU QB 1 65 THR H 1.800 . 4.200 3.605 2.025 4.041 . 0 0 "[ . 1]" 1
718 1 64 GLU QG 1 65 THR H 1.800 . 5.500 4.124 3.362 4.633 . 0 0 "[ . 1]" 1
719 1 65 THR H 1 65 THR HB 1.800 . 4.200 3.553 2.680 4.002 . 0 0 "[ . 1]" 1
720 1 65 THR H 1 65 THR MG 1.800 . 4.200 2.313 1.824 3.840 . 0 0 "[ . 1]" 1
721 1 65 THR HA 1 65 THR MG 1.800 . 3.300 2.512 2.262 3.194 . 0 0 "[ . 1]" 1
722 1 65 THR HA 1 66 SER H 1.800 . 3.300 2.359 2.152 2.754 . 0 0 "[ . 1]" 1
723 1 66 SER H 1 66 SER QB 1.800 . 3.300 2.732 2.238 3.307 0.007 10 0 "[ . 1]" 1
724 1 66 SER HA 1 66 SER QB 1.800 . 2.800 2.253 2.181 2.406 . 0 0 "[ . 1]" 1
725 1 66 SER HA 1 67 GLY H 1.800 . 3.300 2.720 2.278 3.121 . 0 0 "[ . 1]" 1
726 1 66 SER QB 1 67 GLY H 1.800 . 4.200 2.824 1.807 4.061 . 0 0 "[ . 1]" 1
727 1 67 GLY H 1 67 GLY QA 1.800 . 2.800 2.333 2.202 2.506 . 0 0 "[ . 1]" 1
728 1 67 GLY QA 1 68 THR H 1.800 . 3.300 2.445 2.165 2.778 . 0 0 "[ . 1]" 1
729 1 68 THR H 1 68 THR MG 1.800 . 5.500 2.241 1.809 3.921 . 0 0 "[ . 1]" 1
730 1 68 THR HA 1 68 THR HB 1.800 . 2.800 2.511 2.388 3.003 0.203 4 0 "[ . 1]" 1
731 1 68 THR HA 1 69 SER H 1.800 . 4.200 2.780 2.149 3.553 . 0 0 "[ . 1]" 1
732 2 2 ASN H 2 3 LYS H 1.800 . 4.200 3.151 2.854 3.224 . 0 0 "[ . 1]" 1
733 2 2 ASN HA 2 2 ASN QB 1.800 . 2.800 2.347 2.189 2.417 . 0 0 "[ . 1]" 1
734 2 2 ASN HA 2 3 LYS H 1.800 . 2.800 2.858 2.827 3.002 0.202 9 0 "[ . 1]" 1
735 2 2 ASN QB 2 3 LYS H 1.800 . 4.200 3.854 3.710 4.044 . 0 0 "[ . 1]" 1
736 2 3 LYS H 2 3 LYS QB 1.800 . 3.300 2.915 2.450 3.366 0.066 6 0 "[ . 1]" 1
737 2 3 LYS H 2 3 LYS QG 1.800 . 4.200 2.968 2.308 4.208 0.008 7 0 "[ . 1]" 1
738 2 3 LYS H 2 4 LEU H 1.800 . 4.200 4.310 4.228 4.365 0.165 2 0 "[ . 1]" 1
739 2 3 LYS HA 2 3 LYS QB 1.800 . 2.800 2.348 2.179 2.443 . 0 0 "[ . 1]" 1
740 2 3 LYS HA 2 3 LYS QD 1.800 . 4.200 3.629 2.170 4.430 0.230 8 0 "[ . 1]" 1
741 2 3 LYS HA 2 3 LYS QG 1.800 . 3.300 2.521 2.282 3.300 . 0 0 "[ . 1]" 1
742 2 3 LYS HA 2 4 LEU H 1.800 . 2.800 2.337 2.188 2.794 . 0 0 "[ . 1]" 1
743 2 3 LYS QB 2 4 LEU H 1.800 . 4.200 2.660 1.784 3.501 0.016 3 0 "[ . 1]" 1
744 2 3 LYS QB 2 5 PRO QD 1.800 . 3.300 3.069 2.938 3.274 . 0 0 "[ . 1]" 1
745 2 3 LYS QD 2 3 LYS QG 1.800 . 2.800 2.067 2.015 2.108 . 0 0 "[ . 1]" 1
746 2 3 LYS QE 2 3 LYS QG 1.800 . 3.300 2.418 2.114 2.905 . 0 0 "[ . 1]" 1
747 2 4 LEU H 2 4 LEU QB 1.800 . 4.200 2.592 2.567 2.611 . 0 0 "[ . 1]" 1
748 2 4 LEU H 2 4 LEU MD1 1.800 . 5.500 3.813 3.591 4.012 . 0 0 "[ . 1]" 1
749 2 4 LEU H 2 4 LEU MD2 1.800 . 4.200 4.336 4.274 4.396 0.196 6 0 "[ . 1]" 1
750 2 4 LEU H 2 4 LEU HG 1.800 . 4.200 3.292 3.103 3.456 . 0 0 "[ . 1]" 1
751 2 4 LEU H 2 5 PRO HA 1.800 . 4.200 4.378 4.337 4.423 0.223 4 0 "[ . 1]" 1
752 2 4 LEU H 2 5 PRO QD 1.800 . 4.200 3.357 3.277 3.417 . 0 0 "[ . 1]" 1
753 2 4 LEU HA 2 4 LEU MD1 1.800 . 4.200 3.860 3.820 3.892 . 0 0 "[ . 1]" 1
754 2 4 LEU HA 2 4 LEU MD2 1.800 . 2.800 2.318 2.232 2.439 . 0 0 "[ . 1]" 1
755 2 4 LEU HA 2 4 LEU HG 1.800 . 4.200 2.652 2.563 2.702 . 0 0 "[ . 1]" 1
756 2 4 LEU HA 2 5 PRO QD 1.800 . 2.800 2.154 2.147 2.157 . 0 0 "[ . 1]" 1
757 2 4 LEU HA 2 5 PRO QG 1.800 . 4.200 4.088 4.082 4.092 . 0 0 "[ . 1]" 1
758 2 4 LEU QB 2 4 LEU MD1 1.800 . 3.300 2.115 2.106 2.124 . 0 0 "[ . 1]" 1
759 2 4 LEU QB 2 4 LEU MD2 1.800 . 2.800 2.205 2.183 2.234 . 0 0 "[ . 1]" 1
760 2 5 PRO HA 2 6 VAL H 1.800 . 3.300 2.204 2.174 2.234 . 0 0 "[ . 1]" 1
761 2 5 PRO QB 2 6 VAL H 1.800 . 4.200 3.285 3.051 3.598 . 0 0 "[ . 1]" 1
762 2 5 PRO QD 2 5 PRO QG 1.800 . 3.300 1.979 1.978 1.980 . 0 0 "[ . 1]" 1
763 2 6 VAL H 2 6 VAL HB 1.800 . 3.300 2.645 2.449 2.778 . 0 0 "[ . 1]" 1
764 2 6 VAL H 2 6 VAL MG2 1.800 . 3.300 2.876 2.680 2.977 . 0 0 "[ . 1]" 1
765 2 6 VAL H 2 7 SER H 1.800 . 5.500 4.111 3.976 4.459 . 0 0 "[ . 1]" 1
766 2 6 VAL HA 2 6 VAL MG2 1.800 . 2.800 2.336 2.266 2.375 . 0 0 "[ . 1]" 1
767 2 6 VAL HA 2 7 SER H 1.800 . 2.800 2.179 2.133 2.370 . 0 0 "[ . 1]" 1
768 2 6 VAL HB 2 7 SER H 1.800 . 5.500 4.317 3.616 4.440 . 0 0 "[ . 1]" 1
769 2 6 VAL MG1 2 7 SER H 1.800 . 3.300 2.925 1.773 3.139 0.027 3 0 "[ . 1]" 1
770 2 6 VAL MG1 2 7 SER HA 1.800 . 4.200 3.908 3.370 4.044 . 0 0 "[ . 1]" 1
771 2 6 VAL MG1 2 8 ILE H 1.800 . 4.200 4.276 4.027 4.398 0.198 10 0 "[ . 1]" 1
772 2 6 VAL MG1 2 8 ILE MD 1.800 . 3.300 2.961 2.624 3.325 0.025 9 0 "[ . 1]" 1
773 2 6 VAL MG1 2 8 ILE QG 1.800 . 3.300 2.350 2.203 2.423 . 0 0 "[ . 1]" 1
774 2 7 SER H 2 7 SER QB 1.800 . 3.300 2.645 2.479 2.930 . 0 0 "[ . 1]" 1
775 2 7 SER H 2 8 ILE H 1.800 . 5.500 4.485 4.214 4.556 . 0 0 "[ . 1]" 1
776 2 7 SER HA 2 8 ILE H 1.800 . 2.800 2.183 2.143 2.212 . 0 0 "[ . 1]" 1
777 2 7 SER HA 2 8 ILE HB 1.800 . 5.500 4.808 4.515 5.415 . 0 0 "[ . 1]" 1
778 2 7 SER HA 2 8 ILE QG 1.800 . 5.500 3.462 3.181 3.757 . 0 0 "[ . 1]" 1
779 2 7 SER QB 2 8 ILE H 1.800 . 4.200 3.198 3.099 3.324 . 0 0 "[ . 1]" 1
780 2 8 ILE H 2 8 ILE HB 1.800 . 3.300 2.825 2.601 3.362 0.062 9 0 "[ . 1]" 1
781 2 8 ILE H 2 8 ILE MD 1.800 . 4.200 3.919 3.645 4.128 . 0 0 "[ . 1]" 1
782 2 8 ILE H 2 8 ILE QG 1.800 . 4.200 2.518 1.857 2.928 . 0 0 "[ . 1]" 1
783 2 8 ILE H 2 8 ILE MG 1.800 . 4.200 3.837 3.705 3.911 . 0 0 "[ . 1]" 1
784 2 8 ILE HA 2 8 ILE MD 1.800 . 4.200 3.879 3.788 4.135 . 0 0 "[ . 1]" 1
785 2 8 ILE HA 2 8 ILE QG 1.800 . 4.200 2.580 2.360 3.106 . 0 0 "[ . 1]" 1
786 2 8 ILE HA 2 9 PRO QD 1.800 . 2.800 2.090 2.076 2.119 . 0 0 "[ . 1]" 1
787 2 8 ILE HA 2 9 PRO QG 1.800 . 4.200 4.022 4.011 4.047 . 0 0 "[ . 1]" 1
788 2 8 ILE HB 2 8 ILE MD 1.800 . 3.300 2.330 2.261 2.373 . 0 0 "[ . 1]" 1
789 2 8 ILE MD 2 8 ILE QG 1.800 . 2.800 1.912 1.905 1.917 . 0 0 "[ . 1]" 1
790 2 8 ILE MD 2 9 PRO QD 1.800 . 5.500 4.708 4.379 4.839 . 0 0 "[ . 1]" 1
791 2 8 ILE QG 2 8 ILE MG 1.800 . 3.300 2.286 2.256 2.306 . 0 0 "[ . 1]" 1
792 2 8 ILE MG 2 9 PRO QD 1.800 . 3.300 2.503 2.047 2.703 . 0 0 "[ . 1]" 1
793 2 8 ILE MG 2 9 PRO QG 1.800 . 4.200 4.023 3.223 4.279 0.079 6 0 "[ . 1]" 1
794 2 9 PRO HA 2 10 LEU QB 1.800 . 5.500 4.515 4.389 4.572 . 0 0 "[ . 1]" 1
795 2 9 PRO HA 2 11 ALA H 1.800 . 4.200 3.555 3.459 3.634 . 0 0 "[ . 1]" 1
796 2 9 PRO QB 2 9 PRO QD 1.800 . 3.300 2.803 2.769 2.817 . 0 0 "[ . 1]" 1
797 2 9 PRO QB 2 10 LEU H 1.800 . 5.500 3.338 3.260 3.465 . 0 0 "[ . 1]" 1
798 2 9 PRO QB 2 11 ALA H 1.800 . 4.200 2.632 2.370 2.771 . 0 0 "[ . 1]" 1
799 2 9 PRO QB 2 11 ALA MB 1.800 . 3.300 2.766 2.450 2.921 . 0 0 "[ . 1]" 1
800 2 9 PRO QB 2 12 SER H 1.800 . 4.200 2.766 2.560 3.193 . 0 0 "[ . 1]" 1
801 2 9 PRO QD 2 9 PRO QG 1.800 . 3.300 1.984 1.982 1.986 . 0 0 "[ . 1]" 1
802 2 9 PRO QD 2 12 SER H 1.800 . 5.500 4.580 4.248 4.691 . 0 0 "[ . 1]" 1
803 2 9 PRO QG 2 12 SER H 1.800 . 5.500 4.096 2.765 4.669 . 0 0 "[ . 1]" 1
804 2 10 LEU H 2 10 LEU QB 1.800 . 3.300 2.550 2.450 2.599 . 0 0 "[ . 1]" 1
805 2 10 LEU H 2 11 ALA H 1.800 . 3.300 2.677 2.616 2.754 . 0 0 "[ . 1]" 1
806 2 10 LEU H 2 11 ALA MB 1.800 . 4.200 4.292 4.244 4.348 0.148 6 0 "[ . 1]" 1
807 2 10 LEU HA 2 10 LEU QB 1.800 . 2.800 2.336 2.314 2.388 . 0 0 "[ . 1]" 1
808 2 10 LEU HA 2 10 LEU MD2 1.800 . 2.800 2.140 2.080 2.256 . 0 0 "[ . 1]" 1
809 2 10 LEU HA 2 10 LEU HG 1.800 . 3.300 3.107 2.715 3.274 . 0 0 "[ . 1]" 1
810 2 10 LEU HA 2 11 ALA H 1.800 . 4.200 3.388 3.384 3.400 . 0 0 "[ . 1]" 1
811 2 10 LEU HA 2 12 SER H 1.800 . 4.200 3.775 3.688 3.862 . 0 0 "[ . 1]" 1
812 2 10 LEU HA 2 13 VAL H 1.800 . 4.200 3.232 3.143 3.308 . 0 0 "[ . 1]" 1
813 2 10 LEU HA 2 13 VAL MG2 1.800 . 2.800 2.232 2.169 2.316 . 0 0 "[ . 1]" 1
814 2 10 LEU QB 2 10 LEU MD2 1.800 . 2.800 2.269 2.173 2.323 . 0 0 "[ . 1]" 1
815 2 11 ALA H 2 11 ALA MB 1.800 . 2.800 2.205 2.169 2.242 . 0 0 "[ . 1]" 1
816 2 11 ALA H 2 12 SER H 1.800 . 3.300 2.392 2.353 2.449 . 0 0 "[ . 1]" 1
817 2 11 ALA H 2 13 VAL H 1.800 . 5.500 3.902 3.850 3.946 . 0 0 "[ . 1]" 1
818 2 11 ALA HA 2 12 SER H 1.800 . 4.200 3.465 3.455 3.482 . 0 0 "[ . 1]" 1
819 2 11 ALA HA 2 13 VAL H 1.800 . 4.200 3.952 3.881 4.119 . 0 0 "[ . 1]" 1
820 2 11 ALA MB 2 12 SER H 1.800 . 3.300 2.862 2.819 2.895 . 0 0 "[ . 1]" 1
821 2 11 ALA MB 2 13 VAL H 1.800 . 5.500 4.426 4.381 4.484 . 0 0 "[ . 1]" 1
822 2 12 SER H 2 13 VAL H 1.800 . 3.300 2.374 2.327 2.416 . 0 0 "[ . 1]" 1
823 2 12 SER H 2 13 VAL MG2 1.800 . 4.200 3.293 3.237 3.335 . 0 0 "[ . 1]" 1
824 2 12 SER HA 2 13 VAL H 1.800 . 4.200 3.410 3.382 3.460 . 0 0 "[ . 1]" 1
825 2 13 VAL H 2 13 VAL HB 1.800 . 4.200 3.782 3.739 3.804 . 0 0 "[ . 1]" 1
826 2 13 VAL H 2 13 VAL MG1 1.800 . 3.300 3.166 3.005 3.235 . 0 0 "[ . 1]" 1
827 2 13 VAL H 2 13 VAL MG2 1.800 . 2.800 2.114 1.977 2.160 . 0 0 "[ . 1]" 1
828 2 13 VAL H 2 14 VAL H 1.800 . 4.200 4.321 4.298 4.345 0.145 6 0 "[ . 1]" 1
829 2 13 VAL H 2 14 VAL MG2 1.800 . 4.200 4.268 4.233 4.307 0.107 6 0 "[ . 1]" 1
830 2 13 VAL HA 2 13 VAL HB 1.800 . 2.800 2.560 2.529 2.575 . 0 0 "[ . 1]" 1
831 2 13 VAL HA 2 13 VAL MG1 1.800 . 2.800 2.304 2.290 2.319 . 0 0 "[ . 1]" 1
832 2 13 VAL HA 2 13 VAL MG2 1.800 . 3.300 3.182 3.177 3.186 . 0 0 "[ . 1]" 1
833 2 13 VAL HA 2 14 VAL H 1.800 . 2.800 2.648 2.592 2.681 . 0 0 "[ . 1]" 1
834 2 13 VAL HA 2 14 VAL MG2 1.800 . 4.200 2.993 2.951 3.067 . 0 0 "[ . 1]" 1
835 2 13 VAL MG1 2 14 VAL H 1.800 . 3.300 3.332 3.314 3.366 0.066 6 0 "[ . 1]" 1
836 2 13 VAL MG2 2 14 VAL H 1.800 . 3.300 3.169 3.122 3.258 . 0 0 "[ . 1]" 1
837 2 13 VAL MG2 2 14 VAL HA 1.800 . 4.200 3.856 3.776 3.902 . 0 0 "[ . 1]" 1
838 2 13 VAL MG2 2 15 LEU H 1.800 . 5.500 4.361 3.961 4.954 . 0 0 "[ . 1]" 1
839 2 14 VAL H 2 14 VAL HB 1.800 . 3.300 2.919 2.873 2.947 . 0 0 "[ . 1]" 1
840 2 14 VAL H 2 15 LEU H 1.800 . 5.500 4.117 3.941 4.350 . 0 0 "[ . 1]" 1
841 2 14 VAL HA 2 15 LEU H 1.800 . 2.800 2.135 2.104 2.208 . 0 0 "[ . 1]" 1
842 2 14 VAL HA 2 15 LEU QB 1.800 . 4.200 4.284 4.202 4.375 0.175 7 0 "[ . 1]" 1
843 2 14 VAL HB 2 15 LEU H 1.800 . 4.200 4.131 3.758 4.274 0.074 3 0 "[ . 1]" 1
844 2 14 VAL MG1 2 15 LEU H 1.800 . 3.300 2.822 2.133 3.174 . 0 0 "[ . 1]" 1
845 2 15 LEU H 2 15 LEU QB 1.800 . 3.300 2.322 2.212 2.485 . 0 0 "[ . 1]" 1
846 2 15 LEU H 2 16 PRO QD 1.800 . 5.500 4.300 3.865 4.443 . 0 0 "[ . 1]" 1
847 2 15 LEU HA 2 15 LEU QB 1.800 . 2.800 2.408 2.328 2.484 . 0 0 "[ . 1]" 1
848 2 15 LEU HA 2 15 LEU MD2 1.800 . 2.800 2.227 2.160 2.284 . 0 0 "[ . 1]" 1
849 2 15 LEU HA 2 16 PRO QD 1.800 . 2.800 2.098 2.069 2.135 . 0 0 "[ . 1]" 1
850 2 15 LEU QB 2 15 LEU MD2 1.800 . 2.800 2.271 2.191 2.397 . 0 0 "[ . 1]" 1
851 2 15 LEU QB 2 16 PRO QD 1.800 . 4.200 2.893 2.284 3.553 . 0 0 "[ . 1]" 1
852 2 15 LEU MD2 2 16 PRO QD 1.800 . 4.200 3.302 2.631 3.678 . 0 0 "[ . 1]" 1
853 2 16 PRO HA 2 16 PRO QD 1.800 . 4.200 3.370 3.207 3.470 . 0 0 "[ . 1]" 1
854 2 16 PRO HA 2 16 PRO QG 1.800 . 3.300 3.233 2.792 3.505 0.205 1 0 "[ . 1]" 1
855 2 16 PRO HA 2 17 SER H 1.800 . 2.800 2.328 2.180 2.542 . 0 0 "[ . 1]" 1
856 2 16 PRO QB 2 17 SER H 1.800 . 4.200 3.313 2.322 3.933 . 0 0 "[ . 1]" 1
857 2 16 PRO QD 2 16 PRO QG 1.800 . 3.300 1.985 1.980 1.987 . 0 0 "[ . 1]" 1
858 2 17 SER HA 2 17 SER QB 1.800 . 2.800 2.309 2.185 2.389 . 0 0 "[ . 1]" 1
859 2 17 SER QB 2 18 ARG H 1.800 . 4.200 3.031 1.801 3.967 . 0 0 "[ . 1]" 1
860 2 18 ARG H 2 18 ARG QG 1.800 . 4.200 3.010 1.876 4.172 . 0 0 "[ . 1]" 1
861 2 18 ARG H 2 19 ALA H 1.800 . 4.200 3.236 2.636 4.201 0.001 9 0 "[ . 1]" 1
862 2 18 ARG QB 2 19 ALA H 1.800 . 5.500 3.201 1.801 4.026 . 0 0 "[ . 1]" 1
863 2 18 ARG QG 2 19 ALA H 1.800 . 5.500 3.782 2.298 4.678 . 0 0 "[ . 1]" 1
864 2 19 ALA H 2 19 ALA MB 1.800 . 3.300 2.516 2.207 2.871 . 0 0 "[ . 1]" 1
865 2 19 ALA HA 2 20 GLU H 1.800 . 4.200 2.551 2.145 3.575 . 0 0 "[ . 1]" 1
866 2 19 ALA MB 2 20 GLU H 1.800 . 4.200 2.998 1.803 3.726 . 0 0 "[ . 1]" 1
867 2 20 GLU H 2 20 GLU QG 1.800 . 4.200 2.737 1.799 4.261 0.061 8 0 "[ . 1]" 1
868 2 20 GLU HA 2 20 GLU QG 1.800 . 4.200 2.856 2.319 3.419 . 0 0 "[ . 1]" 1
869 2 20 GLU QB 2 20 GLU QG 1.800 . 2.800 2.065 2.027 2.108 . 0 0 "[ . 1]" 1
870 2 21 ARG QB 2 22 ALA H 1.800 . 5.500 2.480 1.801 3.755 . 0 0 "[ . 1]" 1
871 2 21 ARG QB 2 22 ALA MB 1.800 . 4.200 3.624 3.412 4.042 . 0 0 "[ . 1]" 1
872 2 21 ARG QD 2 22 ALA MB 1.800 . 4.200 4.011 3.767 4.189 . 0 0 "[ . 1]" 1
873 2 21 ARG QG 2 22 ALA MB 1.800 . 3.300 2.677 2.547 3.022 . 0 0 "[ . 1]" 1
874 2 22 ALA H 2 22 ALA MB 1.800 . 4.200 2.812 2.767 2.859 . 0 0 "[ . 1]" 1
875 2 23 ARG HA 2 23 ARG QG 1.800 . 4.200 2.703 2.276 3.298 . 0 0 "[ . 1]" 1
876 2 23 ARG HA 2 24 SER H 1.800 . 4.200 2.628 2.172 3.569 . 0 0 "[ . 1]" 1
877 2 24 SER HA 2 25 THR H 1.800 . 4.200 2.617 2.147 3.566 . 0 0 "[ . 1]" 1
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