NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
376918 |
1fuw   |
4633 | cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1fuw
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 642
_Distance_constraint_stats_list.Viol_count 1207
_Distance_constraint_stats_list.Viol_total 1701.930
_Distance_constraint_stats_list.Viol_max 0.461
_Distance_constraint_stats_list.Viol_rms 0.0270
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0060
_Distance_constraint_stats_list.Viol_average_violations_only 0.0671
_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 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 3 TRP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 4 GLU 0.318 0.088 13 0 "[ . 1 . 2 ]"
1 5 ILE 2.334 0.261 7 0 "[ . 1 . 2 ]"
1 6 ILE 0.125 0.018 7 0 "[ . 1 . 2 ]"
1 7 GLU 0.058 0.024 18 0 "[ . 1 . 2 ]"
1 8 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 9 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 10 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 11 PHE 1.124 0.066 4 0 "[ . 1 . 2 ]"
1 12 THR 2.041 0.118 1 0 "[ . 1 . 2 ]"
1 13 GLN 0.236 0.032 8 0 "[ . 1 . 2 ]"
1 14 ASN 3.177 0.130 17 0 "[ . 1 . 2 ]"
1 15 LEU 4.664 0.284 2 0 "[ . 1 . 2 ]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 17 LYS 1.892 0.130 17 0 "[ . 1 . 2 ]"
1 18 PHE 1.370 0.097 11 0 "[ . 1 . 2 ]"
1 19 ALA 1.370 0.097 11 0 "[ . 1 . 2 ]"
1 20 VAL 0.389 0.039 11 0 "[ . 1 . 2 ]"
1 21 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 22 GLU 0.231 0.155 12 0 "[ . 1 . 2 ]"
1 23 GLU 0.008 0.008 6 0 "[ . 1 . 2 ]"
1 24 ASN 0.389 0.039 11 0 "[ . 1 . 2 ]"
1 25 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 26 ILE 0.508 0.082 16 0 "[ . 1 . 2 ]"
1 27 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 29 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 31 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 33 THR 0.363 0.054 4 0 "[ . 1 . 2 ]"
1 34 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 35 ASN 0.639 0.055 5 0 "[ . 1 . 2 ]"
1 36 LYS 0.004 0.002 5 0 "[ . 1 . 2 ]"
1 37 VAL 0.061 0.028 12 0 "[ . 1 . 2 ]"
1 38 ILE 1.761 0.444 15 0 "[ . 1 . 2 ]"
1 39 LYS 1.347 0.444 15 0 "[ . 1 . 2 ]"
1 40 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 41 CYS 2.779 0.244 5 0 "[ . 1 . 2 ]"
1 42 MET 0.770 0.261 7 0 "[ . 1 . 2 ]"
1 43 LYS 0.743 0.085 18 0 "[ . 1 . 2 ]"
1 44 LYS 0.157 0.088 13 0 "[ . 1 . 2 ]"
1 45 THR 3.016 0.190 17 0 "[ . 1 . 2 ]"
1 46 ILE 0.646 0.069 6 0 "[ . 1 . 2 ]"
1 47 TYR 3.886 0.461 6 0 "[ . 1 . 2 ]"
1 48 GLU 7.925 0.461 6 0 "[ . 1 . 2 ]"
1 49 ASN 4.352 0.258 6 0 "[ . 1 . 2 ]"
1 50 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 51 ARG 0.049 0.016 4 0 "[ . 1 . 2 ]"
1 52 GLU 3.746 0.338 6 0 "[ . 1 . 2 ]"
1 53 ILE 10.021 0.216 18 0 "[ . 1 . 2 ]"
1 54 LYS 6.167 0.216 18 0 "[ . 1 . 2 ]"
1 55 GLY 0.819 0.101 15 0 "[ . 1 . 2 ]"
1 56 TYR 1.065 0.085 18 0 "[ . 1 . 2 ]"
1 57 GLU 0.483 0.054 15 0 "[ . 1 . 2 ]"
1 58 TYR 1.458 0.062 2 0 "[ . 1 . 2 ]"
1 59 GLN 0.033 0.033 17 0 "[ . 1 . 2 ]"
1 60 LEU 11.653 0.244 5 0 "[ . 1 . 2 ]"
1 61 TYR 0.010 0.010 16 0 "[ . 1 . 2 ]"
1 62 VAL 0.199 0.053 3 0 "[ . 1 . 2 ]"
1 63 TYR 1.006 0.111 12 0 "[ . 1 . 2 ]"
1 64 ALA 0.393 0.077 5 0 "[ . 1 . 2 ]"
1 65 SER 0.854 0.077 5 0 "[ . 1 . 2 ]"
1 66 ASP 4.338 0.197 15 0 "[ . 1 . 2 ]"
1 67 LYS 3.100 0.197 15 0 "[ . 1 . 2 ]"
1 68 LEU 0.138 0.027 18 0 "[ . 1 . 2 ]"
1 69 PHE 0.037 0.018 15 0 "[ . 1 . 2 ]"
1 70 ARG 3.129 0.197 7 0 "[ . 1 . 2 ]"
1 71 ALA 0.893 0.071 4 0 "[ . 1 . 2 ]"
1 72 ASP 5.491 0.147 5 0 "[ . 1 . 2 ]"
1 73 ILE 2.956 0.284 2 0 "[ . 1 . 2 ]"
1 74 SER 0.817 0.062 17 0 "[ . 1 . 2 ]"
1 75 GLU 2.146 0.109 2 0 "[ . 1 . 2 ]"
1 76 ASP 6.955 0.236 1 0 "[ . 1 . 2 ]"
1 77 TYR 0.223 0.051 1 0 "[ . 1 . 2 ]"
1 78 LYS 0.975 0.105 1 0 "[ . 1 . 2 ]"
1 79 THR 0.281 0.030 18 0 "[ . 1 . 2 ]"
1 80 ARG 5.024 0.236 1 0 "[ . 1 . 2 ]"
1 81 GLY 0.531 0.062 10 0 "[ . 1 . 2 ]"
1 82 ARG 2.263 0.159 1 0 "[ . 1 . 2 ]"
1 83 LYS 5.110 0.182 16 0 "[ . 1 . 2 ]"
1 84 LEU 0.433 0.155 12 0 "[ . 1 . 2 ]"
1 85 LEU 5.509 0.182 16 0 "[ . 1 . 2 ]"
1 86 ARG 1.562 0.113 3 0 "[ . 1 . 2 ]"
1 87 PHE 0.161 0.025 15 0 "[ . 1 . 2 ]"
1 88 ASN 0.289 0.058 15 0 "[ . 1 . 2 ]"
1 89 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 91 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
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 10 PRO HA 1 12 THR H 4.000 . 5.000 4.177 3.706 4.762 . 0 0 "[ . 1 . 2 ]" 1
2 1 10 PRO QG 1 11 PHE H 2.500 . 3.800 2.388 2.032 2.660 . 0 0 "[ . 1 . 2 ]" 1
3 1 11 PHE H 1 11 PHE HA 2.500 . 2.700 2.742 2.677 2.766 0.066 4 0 "[ . 1 . 2 ]" 1
4 1 11 PHE HA 1 12 THR H 4.000 . 5.000 3.524 3.449 3.580 . 0 0 "[ . 1 . 2 ]" 1
5 1 11 PHE HA 1 14 ASN H 4.000 . 5.000 4.030 3.717 4.457 . 0 0 "[ . 1 . 2 ]" 1
6 1 11 PHE HA 1 15 LEU H 4.000 . 5.000 4.941 4.667 5.035 0.035 12 0 "[ . 1 . 2 ]" 1
7 1 11 PHE H 1 11 PHE QB 3.000 . 4.300 2.233 2.204 2.273 . 0 0 "[ . 1 . 2 ]" 1
8 1 11 PHE QB 1 58 TYR HH 3.000 . 4.300 3.733 3.413 3.911 . 0 0 "[ . 1 . 2 ]" 1
9 1 11 PHE QD 1 12 THR H 4.000 . 6.000 3.223 2.610 4.042 . 0 0 "[ . 1 . 2 ]" 1
10 1 11 PHE QD 1 41 CYS QB 4.000 . 6.000 3.431 2.489 4.756 . 0 0 "[ . 1 . 2 ]" 1
11 1 11 PHE QE 1 42 MET H 4.000 . 6.000 3.015 2.077 3.822 . 0 0 "[ . 1 . 2 ]" 1
12 1 11 PHE QE 1 43 LYS QD 4.000 . 6.000 3.144 1.960 4.380 . 0 0 "[ . 1 . 2 ]" 1
13 1 11 PHE H 1 12 THR H 4.000 . 5.000 2.865 2.726 3.061 . 0 0 "[ . 1 . 2 ]" 1
14 1 11 PHE HZ 1 42 MET H 3.000 . 4.300 3.874 3.156 4.318 0.018 16 0 "[ . 1 . 2 ]" 1
15 1 12 THR HA 1 13 GLN H 4.000 . 5.000 3.567 3.553 3.577 . 0 0 "[ . 1 . 2 ]" 1
16 1 12 THR HA 1 15 LEU QB 3.000 . 4.300 3.762 3.378 3.917 . 0 0 "[ . 1 . 2 ]" 1
17 1 12 THR HA 1 15 LEU H 4.000 . 5.000 3.862 3.703 4.034 . 0 0 "[ . 1 . 2 ]" 1
18 1 12 THR HA 1 16 GLY H 4.000 . 5.000 4.939 4.867 4.999 . 0 0 "[ . 1 . 2 ]" 1
19 1 12 THR HA 1 60 LEU QD 4.000 . 6.000 1.732 1.682 1.798 0.118 1 0 "[ . 1 . 2 ]" 1
20 1 12 THR H 1 12 THR HB 3.000 . 3.300 3.295 3.059 3.360 0.060 11 0 "[ . 1 . 2 ]" 1
21 1 12 THR HB 1 38 ILE QG 4.000 . 6.000 2.083 1.760 2.894 0.040 6 0 "[ . 1 . 2 ]" 1
22 1 12 THR HG1 1 38 ILE QG 4.000 . 6.000 2.518 1.789 3.215 0.011 1 0 "[ . 1 . 2 ]" 1
23 1 12 THR HG1 1 39 LYS QB 4.000 . 6.000 3.981 3.684 4.154 . 0 0 "[ . 1 . 2 ]" 1
24 1 12 THR HG1 1 40 PRO HA 4.000 . 6.000 4.451 4.254 4.767 . 0 0 "[ . 1 . 2 ]" 1
25 1 12 THR H 1 13 GLN H 3.000 . 3.300 2.689 2.449 2.913 . 0 0 "[ . 1 . 2 ]" 1
26 1 13 GLN H 1 13 GLN HA 3.000 . 3.300 2.754 2.702 2.771 . 0 0 "[ . 1 . 2 ]" 1
27 1 13 GLN HA 1 14 ASN H 4.000 . 5.000 3.479 3.440 3.546 . 0 0 "[ . 1 . 2 ]" 1
28 1 13 GLN HA 1 16 GLY H 4.000 . 5.000 3.343 3.271 3.454 . 0 0 "[ . 1 . 2 ]" 1
29 1 13 GLN QB 1 14 ASN H 4.000 . 6.000 3.175 2.592 3.701 . 0 0 "[ . 1 . 2 ]" 1
30 1 13 GLN QB 1 37 VAL HB 4.000 . 6.000 4.470 3.239 5.383 . 0 0 "[ . 1 . 2 ]" 1
31 1 13 GLN QB 1 38 ILE HA 4.000 . 6.000 5.242 5.100 5.319 . 0 0 "[ . 1 . 2 ]" 1
32 1 13 GLN H 1 15 LEU H 4.000 . 5.000 4.982 4.868 5.032 0.032 8 0 "[ . 1 . 2 ]" 1
33 1 13 GLN H 1 38 ILE QG 4.000 . 6.000 3.327 2.950 4.047 . 0 0 "[ . 1 . 2 ]" 1
34 1 14 ASN H 1 14 ASN HA 2.500 . 2.700 2.761 2.730 2.796 0.096 4 0 "[ . 1 . 2 ]" 1
35 1 14 ASN HA 1 15 LEU H 4.000 . 5.000 3.575 3.561 3.585 . 0 0 "[ . 1 . 2 ]" 1
36 1 14 ASN HA 1 17 LYS QB 4.000 . 6.000 3.245 2.920 3.724 . 0 0 "[ . 1 . 2 ]" 1
37 1 14 ASN HA 1 17 LYS H 3.000 . 3.300 3.390 3.362 3.430 0.130 17 0 "[ . 1 . 2 ]" 1
38 1 14 ASN H 1 14 ASN QB 3.000 . 4.300 2.074 2.034 2.250 . 0 0 "[ . 1 . 2 ]" 1
39 1 14 ASN QB 1 15 LEU H 4.000 . 6.000 2.254 2.121 2.457 . 0 0 "[ . 1 . 2 ]" 1
40 1 14 ASN QB 1 58 TYR HH 4.000 . 6.000 3.267 2.879 3.948 . 0 0 "[ . 1 . 2 ]" 1
41 1 14 ASN QB 1 60 LEU QD 4.000 . 6.000 3.719 3.209 3.980 . 0 0 "[ . 1 . 2 ]" 1
42 1 14 ASN H 1 60 LEU QD 4.000 . 6.000 4.046 3.760 4.427 . 0 0 "[ . 1 . 2 ]" 1
43 1 15 LEU H 1 15 LEU HA 3.000 . 3.300 2.762 2.749 2.769 . 0 0 "[ . 1 . 2 ]" 1
44 1 15 LEU HA 1 16 GLY H 4.000 . 5.000 3.482 3.456 3.518 . 0 0 "[ . 1 . 2 ]" 1
45 1 15 LEU HA 1 17 LYS H 4.000 . 5.000 4.192 4.049 4.293 . 0 0 "[ . 1 . 2 ]" 1
46 1 15 LEU HA 1 18 PHE QB 4.000 . 6.000 2.799 2.292 3.320 . 0 0 "[ . 1 . 2 ]" 1
47 1 15 LEU HA 1 18 PHE H 4.000 . 5.000 3.379 3.083 3.712 . 0 0 "[ . 1 . 2 ]" 1
48 1 15 LEU HA 1 19 ALA H 4.000 . 5.000 4.104 3.786 4.251 . 0 0 "[ . 1 . 2 ]" 1
49 1 15 LEU H 1 15 LEU QB 3.000 . 4.300 2.136 2.040 2.279 . 0 0 "[ . 1 . 2 ]" 1
50 1 15 LEU QB 1 16 GLY H 4.000 . 6.000 2.813 2.548 2.983 . 0 0 "[ . 1 . 2 ]" 1
51 1 15 LEU QB 1 60 LEU QD 4.000 . 6.000 2.014 1.591 2.529 0.209 15 0 "[ . 1 . 2 ]" 1
52 1 15 LEU QB 1 60 LEU HG 4.000 . 6.000 2.304 1.722 3.917 0.078 3 0 "[ . 1 . 2 ]" 1
53 1 15 LEU QD 1 18 PHE QB 4.000 . 6.000 2.817 2.320 3.786 . 0 0 "[ . 1 . 2 ]" 1
54 1 15 LEU QD 1 73 ILE MD 3.000 . 4.300 1.713 1.516 2.421 0.284 2 0 "[ . 1 . 2 ]" 1
55 1 15 LEU HG 1 60 LEU QB 4.000 . 6.000 2.323 1.774 4.409 0.026 1 0 "[ . 1 . 2 ]" 1
56 1 15 LEU HG 1 60 LEU H 4.000 . 6.000 3.704 2.703 5.889 . 0 0 "[ . 1 . 2 ]" 1
57 1 15 LEU H 1 16 GLY H 3.000 . 3.300 2.722 2.689 2.763 . 0 0 "[ . 1 . 2 ]" 1
58 1 15 LEU H 1 58 TYR HH 4.000 . 5.000 4.659 3.626 5.020 0.020 6 0 "[ . 1 . 2 ]" 1
59 1 15 LEU H 1 60 LEU QD 4.000 . 6.000 2.843 2.331 3.401 . 0 0 "[ . 1 . 2 ]" 1
60 1 16 GLY QA 1 17 LYS H 3.000 . 4.300 2.707 2.675 2.756 . 0 0 "[ . 1 . 2 ]" 1
61 1 16 GLY QA 1 19 ALA MB 4.000 . 6.000 1.966 1.854 2.203 . 0 0 "[ . 1 . 2 ]" 1
62 1 16 GLY QA 1 19 ALA H 4.000 . 6.000 3.293 3.143 3.466 . 0 0 "[ . 1 . 2 ]" 1
63 1 16 GLY QA 1 20 VAL H 4.000 . 6.000 4.175 3.879 4.362 . 0 0 "[ . 1 . 2 ]" 1
64 1 16 GLY QA 1 34 PHE HZ 4.000 . 6.000 4.569 3.596 5.213 . 0 0 "[ . 1 . 2 ]" 1
65 1 16 GLY QA 1 62 VAL HB 4.000 . 6.000 4.109 3.515 5.162 . 0 0 "[ . 1 . 2 ]" 1
66 1 16 GLY QA 1 62 VAL QG 4.000 . 6.000 2.812 1.931 3.460 . 0 0 "[ . 1 . 2 ]" 1
67 1 16 GLY H 1 17 LYS H 3.000 . 3.300 2.755 2.655 2.891 . 0 0 "[ . 1 . 2 ]" 1
68 1 16 GLY H 1 37 VAL QG 4.000 . 6.000 2.392 1.942 2.924 . 0 0 "[ . 1 . 2 ]" 1
69 1 16 GLY H 1 60 LEU QD 4.000 . 6.000 3.636 2.838 4.229 . 0 0 "[ . 1 . 2 ]" 1
70 1 17 LYS H 1 17 LYS HA 3.000 . 3.300 2.823 2.803 2.854 . 0 0 "[ . 1 . 2 ]" 1
71 1 17 LYS HA 1 18 PHE H 4.000 . 5.000 3.558 3.536 3.568 . 0 0 "[ . 1 . 2 ]" 1
72 1 17 LYS HA 1 19 ALA H 4.000 . 5.000 3.860 3.778 3.989 . 0 0 "[ . 1 . 2 ]" 1
73 1 17 LYS HA 1 20 VAL HB 4.000 . 6.000 5.096 4.328 5.827 . 0 0 "[ . 1 . 2 ]" 1
74 1 17 LYS HA 1 20 VAL H 4.000 . 5.000 4.152 3.776 4.575 . 0 0 "[ . 1 . 2 ]" 1
75 1 17 LYS H 1 17 LYS QB 3.000 . 4.300 2.200 2.047 2.605 . 0 0 "[ . 1 . 2 ]" 1
76 1 17 LYS QB 1 18 PHE H 3.000 . 4.300 2.359 2.102 3.258 . 0 0 "[ . 1 . 2 ]" 1
77 1 17 LYS H 1 18 PHE H 4.000 . 5.000 2.749 2.628 2.912 . 0 0 "[ . 1 . 2 ]" 1
78 1 17 LYS H 1 19 ALA H 4.000 . 5.000 3.632 3.554 3.708 . 0 0 "[ . 1 . 2 ]" 1
79 1 18 PHE H 1 18 PHE HA 3.000 . 3.300 2.839 2.800 2.866 . 0 0 "[ . 1 . 2 ]" 1
80 1 18 PHE HA 1 19 ALA H 3.000 . 3.300 3.365 3.338 3.397 0.097 11 0 "[ . 1 . 2 ]" 1
81 1 18 PHE HA 1 21 ASP QB 4.000 . 6.000 2.290 2.113 2.522 . 0 0 "[ . 1 . 2 ]" 1
82 1 18 PHE HA 1 21 ASP H 4.000 . 5.000 3.371 3.097 3.773 . 0 0 "[ . 1 . 2 ]" 1
83 1 18 PHE HA 1 22 GLU H 4.000 . 5.000 3.941 3.473 4.246 . 0 0 "[ . 1 . 2 ]" 1
84 1 18 PHE H 1 18 PHE QB 2.500 . 3.700 2.228 2.064 2.565 . 0 0 "[ . 1 . 2 ]" 1
85 1 18 PHE QB 1 19 ALA H 3.000 . 4.300 3.171 3.033 3.297 . 0 0 "[ . 1 . 2 ]" 1
86 1 18 PHE QD 1 73 ILE MD 4.000 . 6.000 3.974 3.029 4.553 . 0 0 "[ . 1 . 2 ]" 1
87 1 18 PHE QD 1 84 LEU QD 4.000 . 6.000 2.768 1.900 3.737 . 0 0 "[ . 1 . 2 ]" 1
88 1 18 PHE H 1 19 ALA H 3.000 . 3.300 2.544 2.445 2.610 . 0 0 "[ . 1 . 2 ]" 1
89 1 19 ALA HA 1 20 VAL H 4.000 . 5.000 3.565 3.551 3.575 . 0 0 "[ . 1 . 2 ]" 1
90 1 19 ALA HA 1 22 GLU QB 4.000 . 5.000 3.150 2.262 3.995 . 0 0 "[ . 1 . 2 ]" 1
91 1 19 ALA H 1 19 ALA MB 2.500 . 3.700 2.084 2.032 2.206 . 0 0 "[ . 1 . 2 ]" 1
92 1 19 ALA MB 1 20 VAL H 3.000 . 4.300 2.221 1.905 2.554 . 0 0 "[ . 1 . 2 ]" 1
93 1 19 ALA MB 1 33 THR HB 4.000 . 6.000 4.455 3.249 4.896 . 0 0 "[ . 1 . 2 ]" 1
94 1 19 ALA MB 1 37 VAL QG 4.000 . 6.000 2.802 2.316 3.558 . 0 0 "[ . 1 . 2 ]" 1
95 1 19 ALA H 1 20 VAL H 4.000 . 5.000 2.878 2.643 3.230 . 0 0 "[ . 1 . 2 ]" 1
96 1 19 ALA H 1 21 ASP H 4.000 . 5.000 3.788 3.660 3.974 . 0 0 "[ . 1 . 2 ]" 1
97 1 2 GLU H 1 2 GLU HA 3.000 . 3.300 2.688 2.273 2.946 . 0 0 "[ . 1 . 2 ]" 1
98 1 2 GLU HA 1 3 TRP H 3.000 . 3.300 2.413 2.144 3.044 . 0 0 "[ . 1 . 2 ]" 1
99 1 2 GLU QB 1 3 TRP H 3.000 . 4.300 3.001 1.944 3.911 . 0 0 "[ . 1 . 2 ]" 1
100 1 20 VAL HA 1 20 VAL HB 3.000 . 3.300 2.561 2.434 3.022 . 0 0 "[ . 1 . 2 ]" 1
101 1 20 VAL HA 1 20 VAL QG 3.000 . 4.300 2.252 2.146 2.336 . 0 0 "[ . 1 . 2 ]" 1
102 1 20 VAL H 1 20 VAL HA 3.000 . 3.300 2.810 2.747 2.857 . 0 0 "[ . 1 . 2 ]" 1
103 1 20 VAL HA 1 21 ASP H 4.000 . 5.000 3.509 3.480 3.553 . 0 0 "[ . 1 . 2 ]" 1
104 1 20 VAL HA 1 23 GLU H 4.000 . 5.000 3.255 3.027 3.711 . 0 0 "[ . 1 . 2 ]" 1
105 1 20 VAL HA 1 24 ASN H 4.000 . 5.000 5.018 4.997 5.039 0.039 11 0 "[ . 1 . 2 ]" 1
106 1 20 VAL H 1 20 VAL HB 3.000 . 3.300 2.570 2.500 2.640 . 0 0 "[ . 1 . 2 ]" 1
107 1 20 VAL HB 1 33 THR HG1 4.000 . 6.000 3.349 1.923 4.315 . 0 0 "[ . 1 . 2 ]" 1
108 1 20 VAL HB 1 32 LEU HA 4.000 . 6.000 4.851 4.201 5.794 . 0 0 "[ . 1 . 2 ]" 1
109 1 20 VAL HB 1 34 PHE QD 4.000 . 6.000 3.911 2.704 5.284 . 0 0 "[ . 1 . 2 ]" 1
110 1 20 VAL H 1 20 VAL QG 3.000 . 4.300 2.068 1.961 2.297 . 0 0 "[ . 1 . 2 ]" 1
111 1 20 VAL QG 1 32 LEU HA 4.000 . 6.000 3.168 2.569 3.883 . 0 0 "[ . 1 . 2 ]" 1
112 1 20 VAL QG 1 33 THR H 4.000 . 6.000 3.088 1.965 4.079 . 0 0 "[ . 1 . 2 ]" 1
113 1 20 VAL H 1 33 THR HG1 4.000 . 6.000 3.847 2.955 4.834 . 0 0 "[ . 1 . 2 ]" 1
114 1 20 VAL H 1 21 ASP H 3.000 . 3.300 2.645 2.466 2.865 . 0 0 "[ . 1 . 2 ]" 1
115 1 21 ASP HA 1 24 ASN QB 4.000 . 6.000 4.619 3.195 5.070 . 0 0 "[ . 1 . 2 ]" 1
116 1 21 ASP HA 1 24 ASN H 4.000 . 5.000 4.589 3.740 4.924 . 0 0 "[ . 1 . 2 ]" 1
117 1 21 ASP H 1 22 GLU H 4.000 . 5.000 2.498 2.306 2.706 . 0 0 "[ . 1 . 2 ]" 1
118 1 22 GLU HA 1 23 GLU H 4.000 . 5.000 3.419 3.323 3.551 . 0 0 "[ . 1 . 2 ]" 1
119 1 22 GLU HA 1 25 LYS QB 4.000 . 6.000 3.065 2.285 3.998 . 0 0 "[ . 1 . 2 ]" 1
120 1 22 GLU HA 1 84 LEU QD 4.000 . 6.000 3.738 1.875 4.430 . 0 0 "[ . 1 . 2 ]" 1
121 1 22 GLU QB 1 84 LEU QD 4.000 . 6.000 2.409 1.645 3.380 0.155 12 0 "[ . 1 . 2 ]" 1
122 1 22 GLU QG 1 85 LEU HA 4.000 . 6.000 3.979 2.196 5.428 . 0 0 "[ . 1 . 2 ]" 1
123 1 22 GLU QG 1 85 LEU H 4.000 . 6.000 4.448 2.916 5.405 . 0 0 "[ . 1 . 2 ]" 1
124 1 22 GLU H 1 24 ASN H 4.000 . 5.000 4.145 3.940 4.328 . 0 0 "[ . 1 . 2 ]" 1
125 1 22 GLU H 1 87 PHE QE 4.000 . 6.000 4.558 3.769 5.615 . 0 0 "[ . 1 . 2 ]" 1
126 1 23 GLU HA 1 24 ASN H 4.000 . 5.000 3.470 3.441 3.504 . 0 0 "[ . 1 . 2 ]" 1
127 1 23 GLU HA 1 26 ILE HB 4.000 . 6.000 5.503 5.100 6.008 0.008 6 0 "[ . 1 . 2 ]" 1
128 1 23 GLU QB 1 24 ASN QD 3.000 . 4.300 2.823 2.625 3.025 . 0 0 "[ . 1 . 2 ]" 1
129 1 23 GLU QG 1 31 ARG H 3.000 . 4.300 3.544 3.041 3.872 . 0 0 "[ . 1 . 2 ]" 1
130 1 23 GLU QG 1 87 PHE QD 3.000 . 4.300 2.863 1.974 3.543 . 0 0 "[ . 1 . 2 ]" 1
131 1 23 GLU H 1 24 ASN H 4.000 . 5.000 2.757 2.682 2.933 . 0 0 "[ . 1 . 2 ]" 1
132 1 24 ASN HA 1 25 LYS H 4.000 . 5.000 3.401 3.054 3.544 . 0 0 "[ . 1 . 2 ]" 1
133 1 24 ASN H 1 24 ASN QB 3.000 . 4.300 2.206 2.142 2.583 . 0 0 "[ . 1 . 2 ]" 1
134 1 24 ASN QD 1 31 ARG HA 4.000 . 6.000 5.174 4.415 5.348 . 0 0 "[ . 1 . 2 ]" 1
135 1 24 ASN QD 1 31 ARG H 4.000 . 6.000 4.073 3.172 4.624 . 0 0 "[ . 1 . 2 ]" 1
136 1 24 ASN H 1 25 LYS H 4.000 . 5.000 2.571 2.329 2.703 . 0 0 "[ . 1 . 2 ]" 1
137 1 25 LYS H 1 25 LYS HA 3.000 . 3.300 2.860 2.727 2.936 . 0 0 "[ . 1 . 2 ]" 1
138 1 25 LYS HA 1 26 ILE H 4.000 . 5.000 3.543 3.497 3.571 . 0 0 "[ . 1 . 2 ]" 1
139 1 25 LYS H 1 25 LYS QB 3.000 . 4.300 2.169 2.062 2.365 . 0 0 "[ . 1 . 2 ]" 1
140 1 25 LYS QB 1 85 LEU HA 4.000 . 6.000 3.141 2.801 3.340 . 0 0 "[ . 1 . 2 ]" 1
141 1 25 LYS QD 1 85 LEU HA 4.000 . 6.000 4.136 3.017 5.076 . 0 0 "[ . 1 . 2 ]" 1
142 1 25 LYS QZ 1 83 LYS QD 4.000 . 6.000 3.170 1.924 4.057 . 0 0 "[ . 1 . 2 ]" 1
143 1 26 ILE HA 1 26 ILE HB 3.000 . 3.300 2.486 2.456 2.550 . 0 0 "[ . 1 . 2 ]" 1
144 1 26 ILE HA 1 27 GLY H 4.000 . 5.000 3.530 3.496 3.557 . 0 0 "[ . 1 . 2 ]" 1
145 1 26 ILE H 1 26 ILE HB 4.000 . 5.000 2.401 2.304 2.463 . 0 0 "[ . 1 . 2 ]" 1
146 1 26 ILE HB 1 27 GLY H 4.000 . 5.000 3.879 3.732 4.029 . 0 0 "[ . 1 . 2 ]" 1
147 1 26 ILE HB 1 85 LEU H 4.000 . 5.000 4.594 4.421 4.773 . 0 0 "[ . 1 . 2 ]" 1
148 1 26 ILE H 1 26 ILE MD 4.000 . 6.000 4.113 3.782 4.388 . 0 0 "[ . 1 . 2 ]" 1
149 1 26 ILE MD 1 27 GLY H 4.000 . 6.000 4.194 3.202 4.906 . 0 0 "[ . 1 . 2 ]" 1
150 1 26 ILE QG 1 85 LEU QB 4.000 . 6.000 2.520 2.148 2.897 . 0 0 "[ . 1 . 2 ]" 1
151 1 26 ILE QG 1 85 LEU H 4.000 . 6.000 4.555 4.413 4.664 . 0 0 "[ . 1 . 2 ]" 1
152 1 26 ILE QG 1 87 PHE QB 3.000 . 4.300 2.093 1.777 2.567 0.023 5 0 "[ . 1 . 2 ]" 1
153 1 26 ILE QG 1 87 PHE QD 4.000 . 6.000 3.340 2.304 4.087 . 0 0 "[ . 1 . 2 ]" 1
154 1 26 ILE H 1 27 GLY H 3.000 . 3.300 2.878 2.825 3.004 . 0 0 "[ . 1 . 2 ]" 1
155 1 26 ILE H 1 85 LEU HA 2.500 . 2.700 2.667 2.338 2.782 0.082 16 0 "[ . 1 . 2 ]" 1
156 1 26 ILE H 1 85 LEU QD 4.000 . 6.000 4.422 4.347 4.500 . 0 0 "[ . 1 . 2 ]" 1
157 1 29 TYR HA 1 30 GLY H 4.000 . 5.000 2.177 2.144 2.253 . 0 0 "[ . 1 . 2 ]" 1
158 1 29 TYR QB 1 30 GLY QA 4.000 . 6.000 4.226 4.048 4.447 . 0 0 "[ . 1 . 2 ]" 1
159 1 29 TYR QB 1 30 GLY H 4.000 . 6.000 3.583 3.161 3.837 . 0 0 "[ . 1 . 2 ]" 1
160 1 3 TRP HA 1 4 GLU H 4.000 . 5.000 2.986 2.160 3.572 . 0 0 "[ . 1 . 2 ]" 1
161 1 3 TRP H 1 3 TRP QB 3.000 . 4.300 2.869 2.332 3.358 . 0 0 "[ . 1 . 2 ]" 1
162 1 3 TRP QB 1 4 GLU H 4.000 . 6.000 2.783 1.864 4.021 . 0 0 "[ . 1 . 2 ]" 1
163 1 3 TRP H 1 4 GLU H 4.000 . 5.000 3.338 1.968 4.656 . 0 0 "[ . 1 . 2 ]" 1
164 1 31 ARG HA 1 31 ARG QG 2.500 . 3.700 2.487 2.008 3.349 . 0 0 "[ . 1 . 2 ]" 1
165 1 31 ARG HA 1 32 LEU H 3.000 . 3.300 2.688 2.322 2.920 . 0 0 "[ . 1 . 2 ]" 1
166 1 31 ARG QB 1 32 LEU H 2.500 . 3.700 2.216 1.889 3.344 . 0 0 "[ . 1 . 2 ]" 1
167 1 31 ARG QD 1 32 LEU H 2.500 . 3.700 2.661 1.930 3.396 . 0 0 "[ . 1 . 2 ]" 1
168 1 31 ARG QG 1 32 LEU H 4.000 . 6.000 2.730 1.992 3.548 . 0 0 "[ . 1 . 2 ]" 1
169 1 32 LEU HA 1 32 LEU HG 2.500 . 2.700 2.347 2.164 2.592 . 0 0 "[ . 1 . 2 ]" 1
170 1 32 LEU H 1 32 LEU HA 3.000 . 3.300 2.858 2.841 2.910 . 0 0 "[ . 1 . 2 ]" 1
171 1 32 LEU HA 1 33 THR H 2.500 . 2.700 2.176 2.138 2.234 . 0 0 "[ . 1 . 2 ]" 1
172 1 32 LEU H 1 32 LEU HG 4.000 . 5.000 3.991 3.014 4.493 . 0 0 "[ . 1 . 2 ]" 1
173 1 32 LEU HG 1 33 THR H 4.000 . 5.000 3.729 2.728 4.651 . 0 0 "[ . 1 . 2 ]" 1
174 1 32 LEU H 1 33 THR H 4.000 . 5.000 4.447 4.173 4.608 . 0 0 "[ . 1 . 2 ]" 1
175 1 33 THR HA 1 33 THR HG1 3.000 . 4.300 2.501 2.001 2.958 . 0 0 "[ . 1 . 2 ]" 1
176 1 33 THR HA 1 65 SER H 3.000 . 4.300 3.629 2.001 4.354 0.054 4 0 "[ . 1 . 2 ]" 1
177 1 33 THR HA 1 66 ASP QB 4.000 . 6.000 4.974 4.364 5.482 . 0 0 "[ . 1 . 2 ]" 1
178 1 33 THR H 1 33 THR HB 3.000 . 3.300 3.171 2.886 3.347 0.047 4 0 "[ . 1 . 2 ]" 1
179 1 33 THR HB 1 34 PHE H 4.000 . 5.000 4.055 1.963 4.646 . 0 0 "[ . 1 . 2 ]" 1
180 1 33 THR H 1 33 THR HG1 4.000 . 6.000 2.658 2.001 3.599 . 0 0 "[ . 1 . 2 ]" 1
181 1 33 THR HG1 1 87 PHE QD 4.000 . 6.000 3.814 2.591 4.290 . 0 0 "[ . 1 . 2 ]" 1
182 1 33 THR HG1 1 87 PHE QE 3.000 . 4.300 2.261 1.897 2.589 . 0 0 "[ . 1 . 2 ]" 1
183 1 33 THR H 1 34 PHE H 4.000 . 5.000 2.453 1.975 3.138 . 0 0 "[ . 1 . 2 ]" 1
184 1 34 PHE HA 1 35 ASN H 4.000 . 5.000 2.809 2.259 3.223 . 0 0 "[ . 1 . 2 ]" 1
185 1 34 PHE QD 1 35 ASN H 4.000 . 6.000 4.691 4.392 4.970 . 0 0 "[ . 1 . 2 ]" 1
186 1 34 PHE H 1 35 ASN H 4.000 . 5.000 3.009 1.875 4.119 . 0 0 "[ . 1 . 2 ]" 1
187 1 35 ASN HA 1 36 LYS H 4.000 . 5.000 3.570 3.550 3.581 . 0 0 "[ . 1 . 2 ]" 1
188 1 35 ASN QB 1 36 LYS H 3.000 . 4.300 2.155 1.947 2.471 . 0 0 "[ . 1 . 2 ]" 1
189 1 35 ASN QB 1 64 ALA HA 4.000 . 6.000 2.006 1.882 2.355 . 0 0 "[ . 1 . 2 ]" 1
190 1 35 ASN QB 1 65 SER HA 4.000 . 6.000 3.462 2.871 4.880 . 0 0 "[ . 1 . 2 ]" 1
191 1 35 ASN QB 1 65 SER H 4.000 . 6.000 2.025 1.770 2.862 0.030 17 0 "[ . 1 . 2 ]" 1
192 1 35 ASN H 1 36 LYS H 3.000 . 3.300 2.759 2.466 3.163 . 0 0 "[ . 1 . 2 ]" 1
193 1 35 ASN H 1 64 ALA HA 4.000 . 5.000 2.750 1.970 3.719 . 0 0 "[ . 1 . 2 ]" 1
194 1 35 ASN H 1 64 ALA MB 4.000 . 6.000 2.485 1.745 3.144 0.055 5 0 "[ . 1 . 2 ]" 1
195 1 35 ASN H 1 65 SER H 3.000 . 3.300 3.323 3.306 3.353 0.053 17 0 "[ . 1 . 2 ]" 1
196 1 36 LYS HA 1 37 VAL QG 4.000 . 6.000 3.954 3.677 4.439 . 0 0 "[ . 1 . 2 ]" 1
197 1 36 LYS HA 1 37 VAL H 3.000 . 3.300 2.384 2.224 2.587 . 0 0 "[ . 1 . 2 ]" 1
198 1 36 LYS QD 1 63 TYR QD 4.000 . 6.000 3.261 2.369 4.806 . 0 0 "[ . 1 . 2 ]" 1
199 1 36 LYS H 1 37 VAL H 4.000 . 5.000 3.291 2.743 3.675 . 0 0 "[ . 1 . 2 ]" 1
200 1 36 LYS H 1 63 TYR H 4.000 . 5.000 4.727 4.251 5.002 0.002 5 0 "[ . 1 . 2 ]" 1
201 1 36 LYS H 1 64 ALA HA 3.000 . 3.300 2.176 1.937 3.108 . 0 0 "[ . 1 . 2 ]" 1
202 1 36 LYS H 1 64 ALA MB 3.000 . 4.300 3.323 1.942 3.592 . 0 0 "[ . 1 . 2 ]" 1
203 1 37 VAL HA 1 37 VAL QG 3.000 . 4.300 2.092 2.024 2.374 . 0 0 "[ . 1 . 2 ]" 1
204 1 37 VAL HA 1 38 ILE H 3.000 . 3.300 2.201 2.166 2.240 . 0 0 "[ . 1 . 2 ]" 1
205 1 37 VAL HA 1 63 TYR H 4.000 . 5.000 2.277 1.990 3.014 . 0 0 "[ . 1 . 2 ]" 1
206 1 37 VAL H 1 37 VAL HB 2.500 . 2.700 2.606 2.329 2.728 0.028 12 0 "[ . 1 . 2 ]" 1
207 1 37 VAL H 1 37 VAL QG 4.000 . 6.000 2.275 1.920 2.679 . 0 0 "[ . 1 . 2 ]" 1
208 1 37 VAL QG 1 38 ILE H 4.000 . 6.000 3.010 2.726 3.139 . 0 0 "[ . 1 . 2 ]" 1
209 1 37 VAL H 1 38 ILE H 4.000 . 5.000 4.294 4.182 4.440 . 0 0 "[ . 1 . 2 ]" 1
210 1 37 VAL H 1 63 TYR QB 4.000 . 6.000 5.020 4.685 5.352 . 0 0 "[ . 1 . 2 ]" 1
211 1 37 VAL H 1 63 TYR H 4.000 . 5.000 4.593 4.362 4.888 . 0 0 "[ . 1 . 2 ]" 1
212 1 38 ILE HA 1 39 LYS QB 4.000 . 6.000 4.400 4.310 4.544 . 0 0 "[ . 1 . 2 ]" 1
213 1 38 ILE HA 1 39 LYS H 4.000 . 5.000 3.337 3.202 3.498 . 0 0 "[ . 1 . 2 ]" 1
214 1 38 ILE HA 1 62 VAL HA 4.000 . 5.000 4.787 4.426 5.053 0.053 3 0 "[ . 1 . 2 ]" 1
215 1 38 ILE HA 1 63 TYR H 4.000 . 5.000 5.045 4.990 5.111 0.111 12 0 "[ . 1 . 2 ]" 1
216 1 38 ILE HB 1 39 LYS H 2.500 . 2.700 1.875 1.775 3.144 0.444 15 0 "[ . 1 . 2 ]" 1
217 1 38 ILE H 1 38 ILE HB 4.000 . 6.000 3.906 3.492 3.967 . 0 0 "[ . 1 . 2 ]" 1
218 1 38 ILE MD 1 39 LYS HA 4.000 . 6.000 3.525 3.238 4.012 . 0 0 "[ . 1 . 2 ]" 1
219 1 38 ILE H 1 39 LYS H 4.000 . 5.000 3.726 3.277 3.960 . 0 0 "[ . 1 . 2 ]" 1
220 1 39 LYS HA 1 39 LYS QD 2.500 . 3.700 2.541 1.859 3.144 . 0 0 "[ . 1 . 2 ]" 1
221 1 39 LYS HA 1 41 CYS H 4.000 . 5.000 5.037 5.015 5.076 0.076 18 0 "[ . 1 . 2 ]" 1
222 1 39 LYS QE 1 63 TYR QD 2.500 . 3.700 2.469 1.821 3.332 . 0 0 "[ . 1 . 2 ]" 1
223 1 39 LYS HA 1 39 LYS QZ 4.000 . 6.000 3.660 2.221 4.978 . 0 0 "[ . 1 . 2 ]" 1
224 1 4 GLU HA 1 5 ILE H 2.500 . 2.700 2.545 2.128 2.744 0.044 18 0 "[ . 1 . 2 ]" 1
225 1 4 GLU H 1 4 GLU QG 4.000 . 6.000 3.643 2.563 4.347 . 0 0 "[ . 1 . 2 ]" 1
226 1 4 GLU QG 1 5 ILE H 4.000 . 6.000 3.550 2.664 4.802 . 0 0 "[ . 1 . 2 ]" 1
227 1 4 GLU H 1 43 LYS H 4.000 . 5.000 4.109 3.199 4.882 . 0 0 "[ . 1 . 2 ]" 1
228 1 4 GLU H 1 44 LYS HA 3.000 . 3.300 2.990 2.248 3.388 0.088 13 0 "[ . 1 . 2 ]" 1
229 1 4 GLU H 1 5 ILE H 4.000 . 5.000 3.919 2.549 4.635 . 0 0 "[ . 1 . 2 ]" 1
230 1 40 PRO HA 1 41 CYS H 4.000 . 6.000 2.499 2.298 3.574 . 0 0 "[ . 1 . 2 ]" 1
231 1 41 CYS HA 1 42 MET H 3.000 . 3.300 2.648 2.355 2.784 . 0 0 "[ . 1 . 2 ]" 1
232 1 41 CYS HA 1 60 LEU HA 4.000 . 5.000 2.911 2.241 4.050 . 0 0 "[ . 1 . 2 ]" 1
233 1 41 CYS HA 1 60 LEU QD 4.000 . 6.000 3.458 2.826 4.222 . 0 0 "[ . 1 . 2 ]" 1
234 1 41 CYS HA 1 61 TYR QE 4.000 . 6.000 4.038 2.762 4.485 . 0 0 "[ . 1 . 2 ]" 1
235 1 41 CYS HA 1 61 TYR H 4.000 . 5.000 3.729 3.150 4.940 . 0 0 "[ . 1 . 2 ]" 1
236 1 41 CYS QB 1 60 LEU QD 3.000 . 4.300 1.819 1.556 2.426 0.244 5 0 "[ . 1 . 2 ]" 1
237 1 41 CYS QB 1 61 TYR H 4.000 . 6.000 3.087 2.392 4.169 . 0 0 "[ . 1 . 2 ]" 1
238 1 41 CYS HG 1 60 LEU QD 2.500 . 3.700 2.438 1.876 2.739 . 0 0 "[ . 1 . 2 ]" 1
239 1 42 MET HA 1 43 LYS H 3.000 . 3.300 2.279 2.136 2.496 . 0 0 "[ . 1 . 2 ]" 1
240 1 42 MET H 1 42 MET QB 3.000 . 4.300 2.938 2.752 3.347 . 0 0 "[ . 1 . 2 ]" 1
241 1 42 MET H 1 42 MET QG 4.000 . 6.000 4.075 3.055 4.391 . 0 0 "[ . 1 . 2 ]" 1
242 1 42 MET QG 1 43 LYS H 4.000 . 6.000 2.777 1.972 4.057 . 0 0 "[ . 1 . 2 ]" 1
243 1 42 MET H 1 59 GLN H 4.000 . 5.000 3.690 3.298 4.244 . 0 0 "[ . 1 . 2 ]" 1
244 1 42 MET H 1 60 LEU HA 4.000 . 5.000 3.541 2.721 4.345 . 0 0 "[ . 1 . 2 ]" 1
245 1 43 LYS HA 1 44 LYS H 3.000 . 3.300 2.351 2.155 2.541 . 0 0 "[ . 1 . 2 ]" 1
246 1 43 LYS HA 1 58 TYR HA 2.500 . 2.700 2.712 2.381 2.762 0.062 2 0 "[ . 1 . 2 ]" 1
247 1 43 LYS HA 1 58 TYR QD 4.000 . 6.000 4.210 3.035 4.649 . 0 0 "[ . 1 . 2 ]" 1
248 1 43 LYS HA 1 59 GLN H 3.000 . 3.300 2.963 2.317 3.333 0.033 17 0 "[ . 1 . 2 ]" 1
249 1 43 LYS QE 1 56 TYR QB 3.000 . 4.300 2.345 1.930 3.032 . 0 0 "[ . 1 . 2 ]" 1
250 1 43 LYS QZ 1 45 THR HB 3.000 . 4.300 3.228 2.008 3.674 . 0 0 "[ . 1 . 2 ]" 1
251 1 43 LYS QZ 1 56 TYR QB 3.000 . 4.300 2.423 1.715 3.234 0.085 18 0 "[ . 1 . 2 ]" 1
252 1 44 LYS HA 1 45 THR H 3.000 . 3.300 2.352 2.134 2.651 . 0 0 "[ . 1 . 2 ]" 1
253 1 44 LYS H 1 44 LYS QG 4.000 . 6.000 3.536 1.946 4.468 . 0 0 "[ . 1 . 2 ]" 1
254 1 44 LYS QG 1 44 LYS QZ 4.000 . 6.000 2.865 2.000 3.386 . 0 0 "[ . 1 . 2 ]" 1
255 1 44 LYS H 1 45 THR H 4.000 . 5.000 4.062 3.320 4.426 . 0 0 "[ . 1 . 2 ]" 1
256 1 44 LYS H 1 57 GLU QB 4.000 . 6.000 3.642 2.884 4.873 . 0 0 "[ . 1 . 2 ]" 1
257 1 44 LYS H 1 57 GLU H 3.000 . 3.300 3.120 2.739 3.312 0.012 15 0 "[ . 1 . 2 ]" 1
258 1 44 LYS H 1 58 TYR HA 4.000 . 5.000 3.888 3.052 4.222 . 0 0 "[ . 1 . 2 ]" 1
259 1 45 THR HA 1 45 THR HG1 3.000 . 4.300 2.346 1.990 2.910 . 0 0 "[ . 1 . 2 ]" 1
260 1 45 THR H 1 45 THR HA 2.500 . 2.700 2.822 2.766 2.890 0.190 17 0 "[ . 1 . 2 ]" 1
261 1 45 THR HA 1 46 ILE H 2.500 . 2.700 2.320 2.170 2.515 . 0 0 "[ . 1 . 2 ]" 1
262 1 45 THR HA 1 56 TYR HA 4.000 . 5.000 1.877 1.758 2.051 0.042 11 0 "[ . 1 . 2 ]" 1
263 1 45 THR HA 1 56 TYR QB 4.000 . 6.000 2.996 2.481 3.415 . 0 0 "[ . 1 . 2 ]" 1
264 1 45 THR HA 1 57 GLU H 3.000 . 3.300 3.191 2.844 3.335 0.035 6 0 "[ . 1 . 2 ]" 1
265 1 45 THR H 1 45 THR HB 4.000 . 5.000 3.022 2.454 3.722 . 0 0 "[ . 1 . 2 ]" 1
266 1 45 THR H 1 45 THR HG1 4.000 . 6.000 2.682 1.930 3.674 . 0 0 "[ . 1 . 2 ]" 1
267 1 45 THR HG1 1 46 ILE HA 4.000 . 6.000 3.818 3.305 4.666 . 0 0 "[ . 1 . 2 ]" 1
268 1 45 THR HG1 1 46 ILE H 4.000 . 6.000 2.347 1.845 3.229 . 0 0 "[ . 1 . 2 ]" 1
269 1 45 THR HG1 1 47 TYR QD 4.000 . 6.000 2.766 2.118 3.547 . 0 0 "[ . 1 . 2 ]" 1
270 1 45 THR HG1 1 56 TYR QB 3.000 . 4.300 2.436 1.943 2.945 . 0 0 "[ . 1 . 2 ]" 1
271 1 45 THR HG1 1 57 GLU H 4.000 . 6.000 4.501 3.748 4.829 . 0 0 "[ . 1 . 2 ]" 1
272 1 46 ILE HA 1 46 ILE MD 4.000 . 6.000 3.287 2.175 3.586 . 0 0 "[ . 1 . 2 ]" 1
273 1 46 ILE HA 1 47 TYR H 2.500 . 2.700 2.297 2.136 2.619 . 0 0 "[ . 1 . 2 ]" 1
274 1 46 ILE HB 1 47 TYR H 4.000 . 5.000 4.202 3.617 4.481 . 0 0 "[ . 1 . 2 ]" 1
275 1 46 ILE HB 1 55 GLY H 3.000 . 4.300 2.859 1.988 3.997 . 0 0 "[ . 1 . 2 ]" 1
276 1 46 ILE H 1 46 ILE MD 4.000 . 6.000 2.537 2.158 3.519 . 0 0 "[ . 1 . 2 ]" 1
277 1 46 ILE MD 1 47 TYR H 4.000 . 6.000 4.879 4.340 4.976 . 0 0 "[ . 1 . 2 ]" 1
278 1 46 ILE MD 1 53 ILE MD 4.000 . 6.000 3.907 3.719 4.098 . 0 0 "[ . 1 . 2 ]" 1
279 1 46 ILE MD 1 56 TYR HA 3.000 . 4.300 2.931 1.940 3.467 . 0 0 "[ . 1 . 2 ]" 1
280 1 46 ILE QG 1 53 ILE QG 4.000 . 6.000 2.800 2.401 3.276 . 0 0 "[ . 1 . 2 ]" 1
281 1 46 ILE QG 1 55 GLY H 3.000 . 4.300 2.898 1.978 3.419 . 0 0 "[ . 1 . 2 ]" 1
282 1 46 ILE H 1 54 LYS QB 4.000 . 6.000 5.401 5.332 5.496 . 0 0 "[ . 1 . 2 ]" 1
283 1 46 ILE H 1 55 GLY H 3.000 . 3.300 2.838 2.579 3.039 . 0 0 "[ . 1 . 2 ]" 1
284 1 46 ILE H 1 56 TYR HA 3.000 . 3.300 3.320 3.167 3.369 0.069 6 0 "[ . 1 . 2 ]" 1
285 1 47 TYR HA 1 48 GLU QB 4.000 . 6.000 4.088 4.067 4.110 . 0 0 "[ . 1 . 2 ]" 1
286 1 47 TYR HA 1 48 GLU H 3.000 . 3.300 2.234 2.147 2.282 . 0 0 "[ . 1 . 2 ]" 1
287 1 47 TYR HA 1 53 ILE HB 4.000 . 5.000 5.022 4.740 5.075 0.075 6 0 "[ . 1 . 2 ]" 1
288 1 47 TYR HA 1 54 LYS QB 3.000 . 4.300 3.338 2.950 3.825 . 0 0 "[ . 1 . 2 ]" 1
289 1 47 TYR HA 1 54 LYS QD 4.000 . 6.000 4.388 3.375 5.181 . 0 0 "[ . 1 . 2 ]" 1
290 1 47 TYR HA 1 54 LYS H 3.000 . 3.300 1.835 1.782 2.310 0.018 3 0 "[ . 1 . 2 ]" 1
291 1 47 TYR HA 1 55 GLY H 3.000 . 3.300 3.329 3.220 3.401 0.101 15 0 "[ . 1 . 2 ]" 1
292 1 47 TYR QB 1 47 TYR QE 4.000 . 6.000 3.938 3.934 3.957 . 0 0 "[ . 1 . 2 ]" 1
293 1 47 TYR QB 1 48 GLU H 4.000 2.900 5.300 2.864 2.439 3.489 0.461 6 0 "[ . 1 . 2 ]" 1
294 1 47 TYR QB 1 54 LYS HA 3.000 . 4.300 2.308 2.090 2.630 . 0 0 "[ . 1 . 2 ]" 1
295 1 47 TYR QB 1 54 LYS QD 3.000 . 4.300 2.924 1.788 3.535 0.012 9 0 "[ . 1 . 2 ]" 1
296 1 47 TYR QD 1 48 GLU HA 4.000 . 6.000 4.618 3.907 5.126 . 0 0 "[ . 1 . 2 ]" 1
297 1 47 TYR QE 1 49 ASN QD 4.000 . 6.000 3.629 3.152 4.573 . 0 0 "[ . 1 . 2 ]" 1
298 1 47 TYR H 1 47 TYR QD 4.000 . 6.000 2.194 1.907 2.935 . 0 0 "[ . 1 . 2 ]" 1
299 1 47 TYR H 1 47 TYR QE 4.000 . 6.000 3.936 3.803 4.260 . 0 0 "[ . 1 . 2 ]" 1
300 1 47 TYR H 1 48 GLU H 4.000 . 5.000 4.502 4.244 4.589 . 0 0 "[ . 1 . 2 ]" 1
301 1 48 GLU HA 1 49 ASN H 3.000 . 3.300 3.468 3.162 3.494 0.194 18 0 "[ . 1 . 2 ]" 1
302 1 48 GLU HA 1 53 ILE H 4.000 . 5.000 4.993 4.413 5.032 0.032 5 0 "[ . 1 . 2 ]" 1
303 1 48 GLU H 1 48 GLU QB 3.000 . 4.300 2.255 2.178 2.343 . 0 0 "[ . 1 . 2 ]" 1
304 1 48 GLU QB 1 51 ARG HA 4.000 . 6.000 4.200 3.672 4.481 . 0 0 "[ . 1 . 2 ]" 1
305 1 48 GLU QB 1 52 GLU QB 3.000 . 4.300 1.877 1.666 2.029 0.134 18 0 "[ . 1 . 2 ]" 1
306 1 48 GLU QB 1 52 GLU QG 4.000 . 6.000 3.285 1.960 3.895 . 0 0 "[ . 1 . 2 ]" 1
307 1 48 GLU QB 1 52 GLU H 4.000 . 6.000 2.067 1.745 2.355 0.055 6 0 "[ . 1 . 2 ]" 1
308 1 48 GLU QB 1 53 ILE H 4.000 . 5.000 2.753 2.012 2.949 . 0 0 "[ . 1 . 2 ]" 1
309 1 48 GLU H 1 48 GLU QG 4.000 . 6.000 3.908 2.395 4.046 . 0 0 "[ . 1 . 2 ]" 1
310 1 48 GLU QG 1 50 GLU H 3.000 . 4.300 3.084 2.698 3.858 . 0 0 "[ . 1 . 2 ]" 1
311 1 48 GLU QG 1 52 GLU H 4.000 . 6.000 3.454 1.553 4.128 0.247 6 0 "[ . 1 . 2 ]" 1
312 1 48 GLU H 1 49 ASN H 4.000 . 5.000 3.072 2.832 3.861 . 0 0 "[ . 1 . 2 ]" 1
313 1 48 GLU H 1 51 ARG HA 4.000 . 5.000 4.249 3.929 4.767 . 0 0 "[ . 1 . 2 ]" 1
314 1 48 GLU H 1 51 ARG H 4.000 . 5.000 4.415 3.907 4.956 . 0 0 "[ . 1 . 2 ]" 1
315 1 48 GLU H 1 52 GLU H 3.000 . 3.300 3.279 3.061 3.638 0.338 6 0 "[ . 1 . 2 ]" 1
316 1 48 GLU H 1 53 ILE HA 4.000 2.800 5.000 5.025 4.973 5.051 0.051 15 0 "[ . 1 . 2 ]" 1
317 1 48 GLU H 1 53 ILE MD 4.000 . 6.000 4.517 3.206 4.950 . 0 0 "[ . 1 . 2 ]" 1
318 1 48 GLU H 1 53 ILE QG 3.000 . 4.300 1.871 1.774 2.110 0.026 13 0 "[ . 1 . 2 ]" 1
319 1 48 GLU H 1 53 ILE H 3.000 . 3.300 2.760 2.585 3.328 0.028 6 0 "[ . 1 . 2 ]" 1
320 1 48 GLU H 1 54 LYS QB 4.000 . 6.000 4.065 3.278 4.509 . 0 0 "[ . 1 . 2 ]" 1
321 1 48 GLU H 1 54 LYS H 4.000 . 5.000 2.673 2.373 3.317 . 0 0 "[ . 1 . 2 ]" 1
322 1 49 ASN HA 1 50 GLU H 4.000 . 5.000 3.560 3.528 3.569 . 0 0 "[ . 1 . 2 ]" 1
323 1 49 ASN QB 1 50 GLU H 4.000 . 6.000 2.330 2.176 2.638 . 0 0 "[ . 1 . 2 ]" 1
324 1 49 ASN H 1 51 ARG H 2.500 . 2.700 2.675 2.548 2.716 0.016 4 0 "[ . 1 . 2 ]" 1
325 1 49 ASN H 1 52 GLU H 2.500 . 2.700 2.729 2.675 2.958 0.258 6 0 "[ . 1 . 2 ]" 1
326 1 49 ASN H 1 52 GLU QG 4.000 . 6.000 4.396 2.826 5.414 . 0 0 "[ . 1 . 2 ]" 1
327 1 5 ILE HA 1 42 MET HA 3.000 . 3.700 3.038 2.020 3.795 0.095 7 0 "[ . 1 . 2 ]" 1
328 1 5 ILE HA 1 42 MET QG 4.000 . 6.000 3.730 2.923 5.270 . 0 0 "[ . 1 . 2 ]" 1
329 1 5 ILE HA 1 43 LYS H 3.000 . 3.700 3.088 2.378 3.556 . 0 0 "[ . 1 . 2 ]" 1
330 1 5 ILE HA 1 5 ILE HB 3.000 . 3.300 2.482 2.429 2.971 . 0 0 "[ . 1 . 2 ]" 1
331 1 5 ILE HA 1 5 ILE MD 3.000 . 4.300 2.465 1.901 3.635 . 0 0 "[ . 1 . 2 ]" 1
332 1 5 ILE H 1 5 ILE HA 2.500 . 2.700 2.741 2.263 2.882 0.182 7 0 "[ . 1 . 2 ]" 1
333 1 5 ILE HA 1 6 ILE H 2.500 . 2.700 2.258 2.158 2.450 . 0 0 "[ . 1 . 2 ]" 1
334 1 5 ILE HB 1 42 MET HA 3.000 . 3.300 2.751 1.980 3.553 0.253 7 0 "[ . 1 . 2 ]" 1
335 1 5 ILE HB 1 42 MET QB 4.000 . 6.000 3.782 2.053 5.032 . 0 0 "[ . 1 . 2 ]" 1
336 1 5 ILE HB 1 42 MET QG 3.000 . 4.300 2.586 1.935 3.805 . 0 0 "[ . 1 . 2 ]" 1
337 1 5 ILE H 1 5 ILE HB 2.500 . 2.700 2.526 2.456 2.836 0.136 15 0 "[ . 1 . 2 ]" 1
338 1 5 ILE MD 1 43 LYS H 4.000 . 6.000 3.896 2.999 4.851 . 0 0 "[ . 1 . 2 ]" 1
339 1 5 ILE H 1 5 ILE MD 4.000 . 6.000 3.954 1.885 4.417 . 0 0 "[ . 1 . 2 ]" 1
340 1 5 ILE QG 1 42 MET HA 4.000 . 6.000 3.451 1.539 4.109 0.261 7 0 "[ . 1 . 2 ]" 1
341 1 5 ILE QG 1 6 ILE H 3.000 . 4.300 2.324 1.848 3.073 . 0 0 "[ . 1 . 2 ]" 1
342 1 5 ILE H 1 42 MET HA 4.000 . 5.000 3.855 2.693 4.961 . 0 0 "[ . 1 . 2 ]" 1
343 1 50 GLU HA 1 51 ARG H 4.000 . 5.000 2.853 2.742 2.938 . 0 0 "[ . 1 . 2 ]" 1
344 1 50 GLU QB 1 51 ARG H 4.000 . 6.000 3.843 3.775 4.032 . 0 0 "[ . 1 . 2 ]" 1
345 1 50 GLU H 1 50 GLU QG 4.000 . 6.000 3.390 2.191 4.126 . 0 0 "[ . 1 . 2 ]" 1
346 1 51 ARG HA 1 52 GLU H 4.000 . 5.000 2.658 2.499 2.778 . 0 0 "[ . 1 . 2 ]" 1
347 1 51 ARG HA 1 53 ILE H 4.000 . 6.000 3.342 3.130 3.500 . 0 0 "[ . 1 . 2 ]" 1
348 1 51 ARG HA 1 54 LYS QZ 4.000 . 6.000 4.064 2.057 4.837 . 0 0 "[ . 1 . 2 ]" 1
349 1 51 ARG H 1 51 ARG QG 4.000 . 6.000 3.455 2.661 4.310 . 0 0 "[ . 1 . 2 ]" 1
350 1 51 ARG QG 1 52 GLU H 4.000 . 6.000 4.434 4.084 4.629 . 0 0 "[ . 1 . 2 ]" 1
351 1 51 ARG H 1 52 GLU H 3.000 . 3.300 2.715 2.384 2.982 . 0 0 "[ . 1 . 2 ]" 1
352 1 52 GLU HA 1 53 ILE H 3.000 . 3.300 3.398 3.250 3.455 0.155 15 0 "[ . 1 . 2 ]" 1
353 1 52 GLU H 1 52 GLU QB 3.000 . 4.300 2.313 2.150 2.602 . 0 0 "[ . 1 . 2 ]" 1
354 1 52 GLU H 1 52 GLU QG 4.000 . 6.000 3.310 2.240 4.116 . 0 0 "[ . 1 . 2 ]" 1
355 1 52 GLU H 1 53 ILE H 3.000 . 3.300 2.236 2.052 2.346 . 0 0 "[ . 1 . 2 ]" 1
356 1 53 ILE HA 1 53 ILE MD 4.000 . 6.000 3.816 3.173 4.145 . 0 0 "[ . 1 . 2 ]" 1
357 1 53 ILE HA 1 54 LYS H 3.000 . 3.300 3.477 3.330 3.516 0.216 18 0 "[ . 1 . 2 ]" 1
358 1 53 ILE HA 1 77 TYR QD 4.000 . 5.000 3.173 2.150 4.097 . 0 0 "[ . 1 . 2 ]" 1
359 1 53 ILE HA 1 78 LYS QB 4.000 . 6.000 4.697 4.080 5.064 . 0 0 "[ . 1 . 2 ]" 1
360 1 53 ILE H 1 53 ILE HB 4.000 . 6.000 3.566 3.330 3.891 . 0 0 "[ . 1 . 2 ]" 1
361 1 53 ILE HB 1 78 LYS QD 4.000 . 6.000 4.531 3.322 5.368 . 0 0 "[ . 1 . 2 ]" 1
362 1 53 ILE HB 1 78 LYS QB 3.000 . 4.300 3.338 2.767 3.889 . 0 0 "[ . 1 . 2 ]" 1
363 1 53 ILE H 1 53 ILE MD 4.000 . 6.000 4.705 4.031 5.011 . 0 0 "[ . 1 . 2 ]" 1
364 1 53 ILE MD 1 54 LYS H 4.000 . 6.000 3.303 2.357 3.506 . 0 0 "[ . 1 . 2 ]" 1
365 1 53 ILE MD 1 77 TYR H 3.000 . 4.300 2.581 1.809 3.447 . 0 0 "[ . 1 . 2 ]" 1
366 1 53 ILE QG 1 54 LYS H 3.000 . 4.300 1.689 1.610 1.733 0.190 6 0 "[ . 1 . 2 ]" 1
367 1 53 ILE QG 1 77 TYR QD 4.000 . 6.000 3.435 2.431 3.970 . 0 0 "[ . 1 . 2 ]" 1
368 1 53 ILE H 1 54 LYS QB 3.000 . 4.300 3.494 3.424 3.612 . 0 0 "[ . 1 . 2 ]" 1
369 1 53 ILE H 1 54 LYS H 4.000 . 5.000 2.810 2.043 3.920 . 0 0 "[ . 1 . 2 ]" 1
370 1 54 LYS H 1 54 LYS HA 3.000 . 3.300 2.281 2.268 2.315 . 0 0 "[ . 1 . 2 ]" 1
371 1 54 LYS HA 1 55 GLY H 4.000 . 5.000 2.524 2.376 2.640 . 0 0 "[ . 1 . 2 ]" 1
372 1 54 LYS H 1 54 LYS QB 3.000 . 4.300 2.989 2.733 3.178 . 0 0 "[ . 1 . 2 ]" 1
373 1 54 LYS QB 1 55 GLY H 4.000 . 6.000 3.982 3.931 4.027 . 0 0 "[ . 1 . 2 ]" 1
374 1 54 LYS H 1 55 GLY H 3.000 . 3.300 2.855 2.595 3.134 . 0 0 "[ . 1 . 2 ]" 1
375 1 55 GLY QA 1 56 TYR H 2.500 . 3.700 2.194 2.106 2.307 . 0 0 "[ . 1 . 2 ]" 1
376 1 55 GLY QA 1 75 GLU H 3.000 . 4.300 3.924 3.827 4.000 . 0 0 "[ . 1 . 2 ]" 1
377 1 55 GLY QA 1 76 ASP HA 3.000 . 4.300 2.152 1.792 2.976 0.008 4 0 "[ . 1 . 2 ]" 1
378 1 55 GLY QA 1 76 ASP QB 4.000 . 6.000 3.532 2.497 4.831 . 0 0 "[ . 1 . 2 ]" 1
379 1 55 GLY QA 1 77 TYR QB 4.000 . 6.000 4.337 3.347 4.744 . 0 0 "[ . 1 . 2 ]" 1
380 1 55 GLY QA 1 77 TYR H 4.000 . 6.000 3.780 3.244 4.535 . 0 0 "[ . 1 . 2 ]" 1
381 1 56 TYR HA 1 56 TYR QD 4.000 . 6.000 3.687 3.549 3.750 . 0 0 "[ . 1 . 2 ]" 1
382 1 56 TYR HA 1 56 TYR QE 4.000 . 6.000 5.630 5.523 5.675 . 0 0 "[ . 1 . 2 ]" 1
383 1 56 TYR HA 1 57 GLU H 3.000 . 3.300 2.130 2.095 2.175 . 0 0 "[ . 1 . 2 ]" 1
384 1 56 TYR QB 1 56 TYR QE 4.000 . 6.000 3.935 3.933 3.943 . 0 0 "[ . 1 . 2 ]" 1
385 1 56 TYR QB 1 57 GLU H 4.000 . 6.000 3.344 2.986 3.591 . 0 0 "[ . 1 . 2 ]" 1
386 1 56 TYR QB 1 75 GLU QB 4.000 . 6.000 4.245 3.599 4.542 . 0 0 "[ . 1 . 2 ]" 1
387 1 56 TYR QB 1 75 GLU H 4.000 . 6.000 4.802 4.587 4.989 . 0 0 "[ . 1 . 2 ]" 1
388 1 56 TYR QD 1 75 GLU QG 3.000 . 4.300 3.333 2.652 3.754 . 0 0 "[ . 1 . 2 ]" 1
389 1 56 TYR QD 1 75 GLU H 4.000 . 6.000 4.391 4.027 4.639 . 0 0 "[ . 1 . 2 ]" 1
390 1 56 TYR QE 1 75 GLU QB 3.000 . 4.300 2.880 2.582 3.250 . 0 0 "[ . 1 . 2 ]" 1
391 1 56 TYR QE 1 75 GLU QG 3.000 . 4.300 2.679 2.355 3.107 . 0 0 "[ . 1 . 2 ]" 1
392 1 56 TYR HH 1 75 GLU QB 4.000 . 6.000 3.498 2.653 4.800 . 0 0 "[ . 1 . 2 ]" 1
393 1 56 TYR H 1 56 TYR QD 4.000 . 6.000 2.727 2.099 3.527 . 0 0 "[ . 1 . 2 ]" 1
394 1 56 TYR H 1 75 GLU QB 2.500 . 3.700 2.611 1.919 2.962 . 0 0 "[ . 1 . 2 ]" 1
395 1 56 TYR H 1 75 GLU H 3.000 . 3.300 2.896 2.295 3.337 0.037 11 0 "[ . 1 . 2 ]" 1
396 1 57 GLU HA 1 57 GLU QG 3.000 . 4.300 2.734 2.094 3.351 . 0 0 "[ . 1 . 2 ]" 1
397 1 57 GLU HA 1 58 TYR QD 4.000 . 6.000 5.229 4.699 5.657 . 0 0 "[ . 1 . 2 ]" 1
398 1 57 GLU HA 1 58 TYR H 2.500 . 2.700 2.152 2.123 2.269 . 0 0 "[ . 1 . 2 ]" 1
399 1 57 GLU HA 1 73 ILE QG 4.000 . 6.000 3.974 3.454 4.536 . 0 0 "[ . 1 . 2 ]" 1
400 1 57 GLU HA 1 74 SER HA 2.500 . 2.700 1.906 1.793 2.091 0.007 2 0 "[ . 1 . 2 ]" 1
401 1 57 GLU HA 1 74 SER QB 3.000 . 4.300 3.333 3.030 3.542 . 0 0 "[ . 1 . 2 ]" 1
402 1 57 GLU HA 1 75 GLU H 3.000 . 3.300 3.193 2.984 3.354 0.054 15 0 "[ . 1 . 2 ]" 1
403 1 57 GLU QB 1 58 TYR H 4.000 . 6.000 3.328 2.733 3.824 . 0 0 "[ . 1 . 2 ]" 1
404 1 57 GLU QB 1 74 SER H 4.000 . 6.000 5.158 4.810 5.414 . 0 0 "[ . 1 . 2 ]" 1
405 1 57 GLU H 1 57 GLU QG 4.000 . 6.000 2.703 1.933 4.013 . 0 0 "[ . 1 . 2 ]" 1
406 1 57 GLU QG 1 58 TYR H 4.000 . 6.000 3.924 2.636 4.660 . 0 0 "[ . 1 . 2 ]" 1
407 1 57 GLU H 1 58 TYR H 4.000 . 5.000 4.411 4.236 4.572 . 0 0 "[ . 1 . 2 ]" 1
408 1 58 TYR HA 1 58 TYR QD 4.000 . 6.000 2.667 1.965 2.993 . 0 0 "[ . 1 . 2 ]" 1
409 1 58 TYR HA 1 58 TYR QE 4.000 . 6.000 4.350 4.135 4.458 . 0 0 "[ . 1 . 2 ]" 1
410 1 58 TYR HA 1 59 GLN H 3.000 . 3.300 2.195 2.121 2.339 . 0 0 "[ . 1 . 2 ]" 1
411 1 58 TYR QB 1 73 ILE HB 4.000 . 6.000 2.181 1.779 4.071 0.021 1 0 "[ . 1 . 2 ]" 1
412 1 58 TYR QB 1 73 ILE MD 4.000 . 6.000 2.208 1.851 3.791 . 0 0 "[ . 1 . 2 ]" 1
413 1 58 TYR QB 1 73 ILE QG 3.000 . 4.300 2.431 1.744 2.975 0.056 18 0 "[ . 1 . 2 ]" 1
414 1 58 TYR QD 1 73 ILE H 4.000 . 6.000 5.023 4.580 5.565 . 0 0 "[ . 1 . 2 ]" 1
415 1 58 TYR H 1 72 ASP HA 4.000 . 5.000 4.866 4.417 5.025 0.025 15 0 "[ . 1 . 2 ]" 1
416 1 58 TYR H 1 73 ILE HB 3.000 . 4.300 2.622 2.061 4.268 . 0 0 "[ . 1 . 2 ]" 1
417 1 58 TYR H 1 73 ILE QG 4.000 . 6.000 3.142 1.975 3.649 . 0 0 "[ . 1 . 2 ]" 1
418 1 58 TYR H 1 73 ILE H 3.000 . 3.300 2.959 2.574 3.198 . 0 0 "[ . 1 . 2 ]" 1
419 1 58 TYR H 1 74 SER HA . . 3.300 3.328 3.303 3.362 0.062 17 0 "[ . 1 . 2 ]" 1
420 1 58 TYR H 1 75 GLU H 4.000 . 5.000 4.832 4.394 5.021 0.021 13 0 "[ . 1 . 2 ]" 1
421 1 59 GLN HA 1 60 LEU H 2.500 . 2.700 2.199 2.158 2.293 . 0 0 "[ . 1 . 2 ]" 1
422 1 59 GLN HA 1 72 ASP HA 3.000 . 3.300 2.363 1.900 2.826 . 0 0 "[ . 1 . 2 ]" 1
423 1 59 GLN H 1 59 GLN QG 4.000 . 6.000 3.149 1.971 4.172 . 0 0 "[ . 1 . 2 ]" 1
424 1 59 GLN QG 1 60 LEU H 4.000 . 6.000 3.853 1.954 4.514 . 0 0 "[ . 1 . 2 ]" 1
425 1 6 ILE HA 1 6 ILE MD 4.000 . 6.000 3.913 3.344 4.175 . 0 0 "[ . 1 . 2 ]" 1
426 1 6 ILE HA 1 6 ILE QG 2.500 . 2.700 2.120 1.953 2.240 . 0 0 "[ . 1 . 2 ]" 1
427 1 6 ILE H 1 6 ILE HA 3.000 . 3.300 2.928 2.814 2.949 . 0 0 "[ . 1 . 2 ]" 1
428 1 6 ILE HA 1 7 GLU HA 4.000 . 5.000 4.584 4.535 4.857 . 0 0 "[ . 1 . 2 ]" 1
429 1 6 ILE HA 1 7 GLU H 4.000 . 5.000 3.559 3.534 3.583 . 0 0 "[ . 1 . 2 ]" 1
430 1 6 ILE H 1 6 ILE MD 4.000 . 6.000 3.649 1.987 5.012 . 0 0 "[ . 1 . 2 ]" 1
431 1 6 ILE QG 1 7 GLU H 2.500 . 3.700 2.342 1.860 2.993 . 0 0 "[ . 1 . 2 ]" 1
432 1 6 ILE H 1 42 MET HA 4.000 . 5.000 4.821 4.054 5.017 0.017 9 0 "[ . 1 . 2 ]" 1
433 1 6 ILE H 1 7 GLU H 2.500 . 2.700 2.335 1.929 2.718 0.018 7 0 "[ . 1 . 2 ]" 1
434 1 60 LEU HA 1 60 LEU QD 4.000 . 6.000 2.171 1.773 2.972 0.027 18 0 "[ . 1 . 2 ]" 1
435 1 60 LEU H 1 60 LEU HA 2.500 . 2.700 2.899 2.812 2.918 0.218 1 0 "[ . 1 . 2 ]" 1
436 1 60 LEU QB 1 61 TYR H 4.000 . 6.000 2.998 2.271 3.410 . 0 0 "[ . 1 . 2 ]" 1
437 1 60 LEU QB 1 71 ALA H 4.000 . 6.000 3.599 3.251 4.137 . 0 0 "[ . 1 . 2 ]" 1
438 1 60 LEU HG 1 71 ALA H 4.000 . 6.000 5.853 5.234 6.057 0.057 16 0 "[ . 1 . 2 ]" 1
439 1 60 LEU H 1 61 TYR H 4.000 . 5.000 4.444 4.313 4.530 . 0 0 "[ . 1 . 2 ]" 1
440 1 60 LEU H 1 70 ARG QG 3.000 . 4.300 3.459 3.076 3.911 . 0 0 "[ . 1 . 2 ]" 1
441 1 60 LEU H 1 71 ALA H 3.000 . 3.300 3.331 3.218 3.371 0.071 4 0 "[ . 1 . 2 ]" 1
442 1 60 LEU H 1 72 ASP HA 3.000 . 3.300 3.374 3.345 3.400 0.100 4 0 "[ . 1 . 2 ]" 1
443 1 61 TYR HA 1 62 VAL H 3.000 . 3.300 2.268 2.142 2.502 . 0 0 "[ . 1 . 2 ]" 1
444 1 61 TYR HA 1 70 ARG HA 3.000 . 3.300 1.938 1.790 2.154 0.010 16 0 "[ . 1 . 2 ]" 1
445 1 61 TYR QB 1 62 VAL H 4.000 . 6.000 3.554 2.318 3.874 . 0 0 "[ . 1 . 2 ]" 1
446 1 61 TYR H 1 62 VAL H 4.000 . 5.000 4.004 3.683 4.518 . 0 0 "[ . 1 . 2 ]" 1
447 1 62 VAL HA 1 63 TYR H 3.000 . 3.300 2.224 2.121 2.362 . 0 0 "[ . 1 . 2 ]" 1
448 1 62 VAL H 1 62 VAL QG 3.000 . 4.300 2.027 1.768 2.325 0.032 18 0 "[ . 1 . 2 ]" 1
449 1 62 VAL QG 1 69 PHE H 4.000 . 6.000 3.333 2.673 4.068 . 0 0 "[ . 1 . 2 ]" 1
450 1 62 VAL H 1 69 PHE H 4.000 . 5.000 4.309 3.170 5.018 0.018 15 0 "[ . 1 . 2 ]" 1
451 1 62 VAL H 1 70 ARG HA 3.000 . 3.300 2.267 1.834 2.996 . 0 0 "[ . 1 . 2 ]" 1
452 1 63 TYR HA 1 64 ALA MB 4.000 . 6.000 4.173 4.124 4.238 . 0 0 "[ . 1 . 2 ]" 1
453 1 63 TYR HA 1 64 ALA H 2.500 . 2.700 2.345 2.265 2.457 . 0 0 "[ . 1 . 2 ]" 1
454 1 63 TYR HA 1 68 LEU HA 3.000 . 3.300 1.987 1.870 2.255 . 0 0 "[ . 1 . 2 ]" 1
455 1 63 TYR HA 1 69 PHE H 3.000 . 3.300 2.593 1.916 3.288 . 0 0 "[ . 1 . 2 ]" 1
456 1 63 TYR QB 1 64 ALA H 4.000 . 6.000 4.028 3.982 4.072 . 0 0 "[ . 1 . 2 ]" 1
457 1 63 TYR QD 1 64 ALA H 4.000 . 6.000 4.027 3.193 4.496 . 0 0 "[ . 1 . 2 ]" 1
458 1 63 TYR HH 1 68 LEU H 4.000 . 5.000 4.753 3.045 5.012 0.012 17 0 "[ . 1 . 2 ]" 1
459 1 63 TYR H 1 64 ALA H 4.000 . 5.000 3.905 3.650 4.130 . 0 0 "[ . 1 . 2 ]" 1
460 1 64 ALA HA 1 65 SER H 2.500 . 2.700 2.624 2.536 2.777 0.077 5 0 "[ . 1 . 2 ]" 1
461 1 64 ALA HA 1 66 ASP H 4.000 . 5.000 4.412 2.971 4.865 . 0 0 "[ . 1 . 2 ]" 1
462 1 64 ALA HA 1 67 LYS H 4.000 . 5.000 4.818 3.658 5.029 0.029 10 0 "[ . 1 . 2 ]" 1
463 1 64 ALA MB 1 65 SER H 4.000 . 6.000 1.995 1.799 2.306 0.001 5 0 "[ . 1 . 2 ]" 1
464 1 64 ALA H 1 67 LYS H 4.000 . 5.000 3.925 3.018 4.389 . 0 0 "[ . 1 . 2 ]" 1
465 1 64 ALA H 1 68 LEU HA 4.000 . 5.000 3.505 2.899 4.275 . 0 0 "[ . 1 . 2 ]" 1
466 1 64 ALA H 1 69 PHE QB 3.000 . 4.300 3.375 2.988 3.802 . 0 0 "[ . 1 . 2 ]" 1
467 1 65 SER H 1 65 SER HA 3.000 . 3.300 2.755 2.288 2.899 . 0 0 "[ . 1 . 2 ]" 1
468 1 65 SER HA 1 66 ASP H 4.000 . 5.000 3.464 2.504 3.562 . 0 0 "[ . 1 . 2 ]" 1
469 1 65 SER HA 1 67 LYS H 4.000 . 5.000 4.312 3.387 5.009 0.009 15 0 "[ . 1 . 2 ]" 1
470 1 65 SER QB 1 67 LYS H 4.000 . 6.000 4.764 4.248 5.269 . 0 0 "[ . 1 . 2 ]" 1
471 1 65 SER HG 1 66 ASP H 4.000 . 6.000 4.135 2.154 5.654 . 0 0 "[ . 1 . 2 ]" 1
472 1 65 SER H 1 66 ASP H 4.000 . 5.000 2.773 2.581 3.611 . 0 0 "[ . 1 . 2 ]" 1
473 1 65 SER H 1 67 LYS H 4.000 . 5.000 4.363 3.795 4.856 . 0 0 "[ . 1 . 2 ]" 1
474 1 66 ASP H 1 66 ASP HA 2.500 . 2.700 2.763 2.629 2.862 0.162 3 0 "[ . 1 . 2 ]" 1
475 1 66 ASP HA 1 67 LYS H 3.000 . 3.300 3.384 2.974 3.497 0.197 15 0 "[ . 1 . 2 ]" 1
476 1 66 ASP H 1 66 ASP QB 3.000 . 4.300 2.337 2.053 3.128 . 0 0 "[ . 1 . 2 ]" 1
477 1 66 ASP QB 1 67 LYS H 4.000 . 6.000 2.790 1.953 3.764 . 0 0 "[ . 1 . 2 ]" 1
478 1 66 ASP H 1 67 LYS H 4.000 . 5.000 2.662 1.793 2.910 0.007 5 0 "[ . 1 . 2 ]" 1
479 1 67 LYS HA 1 67 LYS QD 4.000 . 6.000 3.502 2.755 4.460 . 0 0 "[ . 1 . 2 ]" 1
480 1 67 LYS HA 1 68 LEU H 2.500 . 2.700 2.676 2.626 2.727 0.027 18 0 "[ . 1 . 2 ]" 1
481 1 67 LYS H 1 67 LYS QB 3.000 . 4.300 3.165 2.918 3.510 . 0 0 "[ . 1 . 2 ]" 1
482 1 67 LYS QB 1 68 LEU H 2.500 . 2.700 1.937 1.818 1.977 . 0 0 "[ . 1 . 2 ]" 1
483 1 67 LYS QD 1 68 LEU H 3.000 . 4.300 2.847 2.122 3.706 . 0 0 "[ . 1 . 2 ]" 1
484 1 67 LYS QE 1 68 LEU H 4.000 . 6.000 4.185 2.745 5.365 . 0 0 "[ . 1 . 2 ]" 1
485 1 67 LYS H 1 67 LYS QG 3.000 . 4.300 3.534 2.791 3.964 . 0 0 "[ . 1 . 2 ]" 1
486 1 67 LYS QG 1 68 LEU H 4.000 . 6.000 3.482 3.053 4.055 . 0 0 "[ . 1 . 2 ]" 1
487 1 67 LYS H 1 69 PHE QE 4.000 . 6.000 4.247 2.918 5.607 . 0 0 "[ . 1 . 2 ]" 1
488 1 68 LEU HA 1 69 PHE H 2.500 . 2.700 2.260 2.130 2.446 . 0 0 "[ . 1 . 2 ]" 1
489 1 68 LEU H 1 68 LEU QB 3.000 . 4.300 2.592 2.210 2.764 . 0 0 "[ . 1 . 2 ]" 1
490 1 68 LEU HG 1 69 PHE H 4.000 . 5.000 4.499 3.106 5.011 0.011 12 0 "[ . 1 . 2 ]" 1
491 1 68 LEU H 1 69 PHE H 4.000 . 5.000 4.241 3.834 4.620 . 0 0 "[ . 1 . 2 ]" 1
492 1 69 PHE HA 1 70 ARG H 4.000 . 5.000 2.518 2.107 2.784 . 0 0 "[ . 1 . 2 ]" 1
493 1 69 PHE H 1 69 PHE QB 3.000 . 4.300 2.414 2.089 2.925 . 0 0 "[ . 1 . 2 ]" 1
494 1 69 PHE QB 1 89 GLY QA 4.000 . 6.000 4.024 2.697 4.585 . 0 0 "[ . 1 . 2 ]" 1
495 1 7 GLU HA 1 8 ILE QG 4.000 . 6.000 3.394 3.013 3.869 . 0 0 "[ . 1 . 2 ]" 1
496 1 7 GLU HA 1 8 ILE H 4.000 . 5.000 2.606 2.400 3.537 . 0 0 "[ . 1 . 2 ]" 1
497 1 7 GLU QB 1 11 PHE QB 2.500 . 3.700 2.229 1.776 2.756 0.024 18 0 "[ . 1 . 2 ]" 1
498 1 7 GLU QB 1 11 PHE H 3.000 . 4.300 3.202 2.659 3.606 . 0 0 "[ . 1 . 2 ]" 1
499 1 7 GLU QB 1 8 ILE H 2.500 . 2.700 2.112 1.896 2.374 . 0 0 "[ . 1 . 2 ]" 1
500 1 7 GLU HA 1 7 GLU QG 2.500 . 3.700 2.514 2.134 2.964 . 0 0 "[ . 1 . 2 ]" 1
501 1 70 ARG H 1 70 ARG HA 2.500 . 2.700 2.835 2.767 2.897 0.197 7 0 "[ . 1 . 2 ]" 1
502 1 70 ARG QB 1 88 ASN H 4.000 . 6.000 3.483 2.233 3.971 . 0 0 "[ . 1 . 2 ]" 1
503 1 70 ARG QH 1 86 ARG QB 4.000 . 6.000 3.129 1.911 4.177 . 0 0 "[ . 1 . 2 ]" 1
504 1 70 ARG QH 1 86 ARG QH 4.000 . 6.000 2.459 1.693 3.654 0.107 1 0 "[ . 1 . 2 ]" 1
505 1 70 ARG H 1 88 ASN QB 4.000 . 6.000 4.313 1.890 5.032 . 0 0 "[ . 1 . 2 ]" 1
506 1 70 ARG H 1 88 ASN H 3.000 . 3.300 3.123 2.494 3.358 0.058 15 0 "[ . 1 . 2 ]" 1
507 1 70 ARG H 1 89 GLY QA 4.000 . 6.000 3.582 2.344 5.253 . 0 0 "[ . 1 . 2 ]" 1
508 1 71 ALA HA 1 72 ASP QB 4.000 . 6.000 3.923 3.837 4.059 . 0 0 "[ . 1 . 2 ]" 1
509 1 71 ALA HA 1 72 ASP H 3.000 . 3.300 2.347 2.237 2.453 . 0 0 "[ . 1 . 2 ]" 1
510 1 71 ALA HA 1 86 ARG QB 4.000 . 6.000 2.574 1.967 3.585 . 0 0 "[ . 1 . 2 ]" 1
511 1 71 ALA HA 1 86 ARG H 4.000 . 5.000 4.856 4.691 4.953 . 0 0 "[ . 1 . 2 ]" 1
512 1 71 ALA HA 1 87 PHE HA 3.000 . 3.300 2.723 2.248 3.217 . 0 0 "[ . 1 . 2 ]" 1
513 1 71 ALA HA 1 87 PHE QB 4.000 . 6.000 4.321 3.852 5.021 . 0 0 "[ . 1 . 2 ]" 1
514 1 71 ALA H 1 71 ALA MB 3.000 . 4.300 2.449 2.327 2.676 . 0 0 "[ . 1 . 2 ]" 1
515 1 71 ALA MB 1 72 ASP H 3.000 . 4.300 2.723 2.360 3.144 . 0 0 "[ . 1 . 2 ]" 1
516 1 71 ALA MB 1 87 PHE HA 4.000 . 6.000 3.037 2.433 3.808 . 0 0 "[ . 1 . 2 ]" 1
517 1 71 ALA MB 1 87 PHE QD 4.000 . 6.000 2.489 1.833 3.371 . 0 0 "[ . 1 . 2 ]" 1
518 1 71 ALA MB 1 88 ASN H 4.000 . 6.000 4.690 4.299 5.010 . 0 0 "[ . 1 . 2 ]" 1
519 1 72 ASP HA 1 73 ILE H 3.000 . 3.300 2.150 2.106 2.213 . 0 0 "[ . 1 . 2 ]" 1
520 1 72 ASP QB 1 85 LEU H 4.000 . 6.000 4.316 3.954 4.569 . 0 0 "[ . 1 . 2 ]" 1
521 1 72 ASP QB 1 86 ARG QD 3.000 . 4.300 2.494 1.705 3.512 0.095 1 0 "[ . 1 . 2 ]" 1
522 1 72 ASP QB 1 86 ARG H 4.000 . 6.000 3.541 3.254 3.818 . 0 0 "[ . 1 . 2 ]" 1
523 1 72 ASP H 1 73 ILE H 4.000 . 5.000 4.302 4.162 4.398 . 0 0 "[ . 1 . 2 ]" 1
524 1 72 ASP H 1 85 LEU QB 4.000 . 6.000 5.283 5.160 5.362 . 0 0 "[ . 1 . 2 ]" 1
525 1 72 ASP H 1 85 LEU HG 3.000 . 4.300 4.414 4.366 4.447 0.147 5 0 "[ . 1 . 2 ]" 1
526 1 72 ASP H 1 85 LEU H 4.000 . 5.000 3.477 3.094 3.760 . 0 0 "[ . 1 . 2 ]" 1
527 1 72 ASP H 1 86 ARG QB 2.500 . 3.700 1.899 1.731 2.416 0.069 12 0 "[ . 1 . 2 ]" 1
528 1 72 ASP H 1 86 ARG QG 4.000 . 6.000 3.841 3.562 4.395 . 0 0 "[ . 1 . 2 ]" 1
529 1 72 ASP H 1 86 ARG H 3.000 . 3.300 3.356 3.259 3.413 0.113 3 0 "[ . 1 . 2 ]" 1
530 1 72 ASP H 1 87 PHE HA 4.000 . 5.000 4.632 4.260 4.818 . 0 0 "[ . 1 . 2 ]" 1
531 1 73 ILE HA 1 73 ILE MD 4.000 . 5.000 3.679 2.319 4.172 . 0 0 "[ . 1 . 2 ]" 1
532 1 73 ILE HA 1 73 ILE QG 3.000 . 4.300 2.095 1.999 2.259 . 0 0 "[ . 1 . 2 ]" 1
533 1 73 ILE HA 1 74 SER H 2.500 . 2.700 2.234 2.121 2.348 . 0 0 "[ . 1 . 2 ]" 1
534 1 73 ILE HA 1 84 LEU HA 3.000 . 3.300 2.345 2.130 2.756 . 0 0 "[ . 1 . 2 ]" 1
535 1 73 ILE HA 1 84 LEU QD 4.000 . 6.000 3.866 2.928 4.250 . 0 0 "[ . 1 . 2 ]" 1
536 1 73 ILE HA 1 85 LEU H 4.000 . 5.000 3.562 3.194 3.905 . 0 0 "[ . 1 . 2 ]" 1
537 1 73 ILE H 1 73 ILE HB 4.000 . 5.000 2.856 2.472 3.928 . 0 0 "[ . 1 . 2 ]" 1
538 1 73 ILE H 1 73 ILE MD 4.000 . 6.000 3.524 2.010 4.187 . 0 0 "[ . 1 . 2 ]" 1
539 1 73 ILE MD 1 74 SER H 4.000 . 6.000 4.809 4.176 5.008 . 0 0 "[ . 1 . 2 ]" 1
540 1 73 ILE MD 1 84 LEU HA 4.000 . 6.000 3.974 2.210 4.714 . 0 0 "[ . 1 . 2 ]" 1
541 1 73 ILE QG 1 74 SER H 3.000 . 4.300 2.473 1.903 3.513 . 0 0 "[ . 1 . 2 ]" 1
542 1 73 ILE QG 1 84 LEU QD 3.000 . 4.300 1.936 1.702 2.425 0.098 13 0 "[ . 1 . 2 ]" 1
543 1 73 ILE H 1 74 SER H 4.000 . 5.000 4.323 3.707 4.533 . 0 0 "[ . 1 . 2 ]" 1
544 1 74 SER HA 1 75 GLU QG 4.000 . 6.000 4.216 3.379 5.471 . 0 0 "[ . 1 . 2 ]" 1
545 1 74 SER HA 1 75 GLU H 3.000 . 3.300 2.171 2.141 2.214 . 0 0 "[ . 1 . 2 ]" 1
546 1 74 SER QB 1 75 GLU H 4.000 . 6.000 3.202 2.860 3.542 . 0 0 "[ . 1 . 2 ]" 1
547 1 74 SER QB 1 82 ARG HA 4.000 . 6.000 4.797 4.369 5.220 . 0 0 "[ . 1 . 2 ]" 1
548 1 74 SER HG 1 83 LYS QB 4.000 . 6.000 4.889 2.175 5.406 . 0 0 "[ . 1 . 2 ]" 1
549 1 74 SER HG 1 83 LYS H 4.000 . 6.000 3.787 2.706 5.290 . 0 0 "[ . 1 . 2 ]" 1
550 1 74 SER H 1 83 LYS QG 4.000 . 6.000 4.222 2.988 4.773 . 0 0 "[ . 1 . 2 ]" 1
551 1 74 SER H 1 83 LYS H 3.000 . 3.300 3.143 2.875 3.352 0.052 6 0 "[ . 1 . 2 ]" 1
552 1 75 GLU HA 1 76 ASP QB 4.000 . 6.000 4.464 3.874 4.833 . 0 0 "[ . 1 . 2 ]" 1
553 1 75 GLU HA 1 76 ASP H 3.000 . 3.300 2.360 2.164 2.486 . 0 0 "[ . 1 . 2 ]" 1
554 1 75 GLU HA 1 82 ARG HA 3.000 . 3.300 1.785 1.696 1.911 0.104 9 0 "[ . 1 . 2 ]" 1
555 1 75 GLU HA 1 82 ARG QB 4.000 . 6.000 2.861 1.991 4.063 . 0 0 "[ . 1 . 2 ]" 1
556 1 75 GLU HA 1 82 ARG QG 4.000 . 6.000 2.753 1.894 3.909 . 0 0 "[ . 1 . 2 ]" 1
557 1 75 GLU HA 1 83 LYS QG 4.000 . 6.000 5.053 4.545 5.435 . 0 0 "[ . 1 . 2 ]" 1
558 1 75 GLU HA 1 83 LYS H 3.000 . 3.300 3.317 3.083 3.385 0.085 11 0 "[ . 1 . 2 ]" 1
559 1 75 GLU QB 1 76 ASP H 3.000 . 4.300 3.738 2.544 3.903 . 0 0 "[ . 1 . 2 ]" 1
560 1 75 GLU QB 1 82 ARG QG 2.500 . 3.700 2.217 1.810 2.910 . 0 0 "[ . 1 . 2 ]" 1
561 1 75 GLU H 1 75 GLU QG 4.000 . 6.000 3.138 2.557 3.995 . 0 0 "[ . 1 . 2 ]" 1
562 1 75 GLU QG 1 76 ASP H 4.000 . 6.000 4.139 2.338 4.802 . 0 0 "[ . 1 . 2 ]" 1
563 1 75 GLU QG 1 82 ARG QG 3.000 . 4.300 2.788 1.691 3.492 0.109 2 0 "[ . 1 . 2 ]" 1
564 1 76 ASP H 1 76 ASP HA 2.500 . 2.700 2.889 2.821 2.925 0.225 1 0 "[ . 1 . 2 ]" 1
565 1 76 ASP HA 1 77 TYR H 2.500 . 2.700 2.553 2.224 2.689 . 0 0 "[ . 1 . 2 ]" 1
566 1 76 ASP H 1 76 ASP QB 3.000 . 4.300 2.462 2.102 2.740 . 0 0 "[ . 1 . 2 ]" 1
567 1 76 ASP QB 1 77 TYR H 4.000 . 6.000 2.192 1.843 3.307 . 0 0 "[ . 1 . 2 ]" 1
568 1 76 ASP QB 1 78 LYS QB 4.000 . 6.000 4.342 3.606 4.792 . 0 0 "[ . 1 . 2 ]" 1
569 1 76 ASP QB 1 78 LYS H 4.000 . 6.000 4.170 2.405 5.461 . 0 0 "[ . 1 . 2 ]" 1
570 1 76 ASP QB 1 81 GLY H 3.000 . 4.300 2.865 1.849 3.885 . 0 0 "[ . 1 . 2 ]" 1
571 1 76 ASP H 1 80 ARG HA 4.000 . 5.000 4.914 3.555 5.236 0.236 1 0 "[ . 1 . 2 ]" 1
572 1 76 ASP H 1 81 GLY QA 4.000 . 6.000 3.779 2.410 4.396 . 0 0 "[ . 1 . 2 ]" 1
573 1 76 ASP H 1 82 ARG HA 3.000 . 3.300 3.276 2.654 3.459 0.159 1 0 "[ . 1 . 2 ]" 1
574 1 76 ASP H 1 82 ARG QB 4.000 . 6.000 3.833 3.023 4.868 . 0 0 "[ . 1 . 2 ]" 1
575 1 76 ASP H 1 82 ARG QG 4.000 . 6.000 4.317 2.955 5.241 . 0 0 "[ . 1 . 2 ]" 1
576 1 77 TYR HA 1 78 LYS H 4.000 . 5.000 2.963 2.382 3.540 . 0 0 "[ . 1 . 2 ]" 1
577 1 77 TYR HA 1 79 THR H 4.000 . 5.000 4.093 3.131 4.666 . 0 0 "[ . 1 . 2 ]" 1
578 1 77 TYR HA 1 80 ARG HA 4.000 . 5.000 3.738 1.972 5.028 0.028 1 0 "[ . 1 . 2 ]" 1
579 1 77 TYR HA 1 80 ARG QB 4.000 . 6.000 3.141 2.099 4.078 . 0 0 "[ . 1 . 2 ]" 1
580 1 77 TYR HA 1 80 ARG QG 4.000 . 6.000 4.184 2.993 5.397 . 0 0 "[ . 1 . 2 ]" 1
581 1 77 TYR HA 1 80 ARG H 3.000 . 3.300 2.959 2.253 3.307 0.007 5 0 "[ . 1 . 2 ]" 1
582 1 77 TYR HA 1 81 GLY H 4.000 . 5.000 4.301 2.988 5.051 0.051 1 0 "[ . 1 . 2 ]" 1
583 1 77 TYR QD 1 80 ARG QB 4.000 . 6.000 4.345 3.466 5.000 . 0 0 "[ . 1 . 2 ]" 1
584 1 78 LYS HA 1 78 LYS QD 4.000 . 6.000 3.327 2.020 4.276 . 0 0 "[ . 1 . 2 ]" 1
585 1 78 LYS H 1 78 LYS HA 3.000 . 3.300 2.583 2.278 2.947 . 0 0 "[ . 1 . 2 ]" 1
586 1 78 LYS HA 1 79 THR H 4.000 . 5.000 2.996 2.406 3.539 . 0 0 "[ . 1 . 2 ]" 1
587 1 78 LYS HA 1 80 ARG H 4.000 . 5.000 4.174 3.878 4.863 . 0 0 "[ . 1 . 2 ]" 1
588 1 78 LYS H 1 78 LYS QB 3.000 . 4.300 2.668 2.056 3.189 . 0 0 "[ . 1 . 2 ]" 1
589 1 78 LYS H 1 78 LYS QD 4.000 . 6.000 4.384 2.962 5.347 . 0 0 "[ . 1 . 2 ]" 1
590 1 78 LYS H 1 78 LYS QG 4.000 . 6.000 3.805 1.952 4.392 . 0 0 "[ . 1 . 2 ]" 1
591 1 78 LYS QG 1 79 THR H 4.000 . 6.000 3.892 1.934 4.637 . 0 0 "[ . 1 . 2 ]" 1
592 1 78 LYS H 1 79 THR H 2.500 . 2.700 2.623 2.337 2.729 0.029 9 0 "[ . 1 . 2 ]" 1
593 1 78 LYS H 1 80 ARG H 3.000 . 3.300 3.291 3.048 3.405 0.105 1 0 "[ . 1 . 2 ]" 1
594 1 79 THR HA 1 79 THR HG1 2.500 . 2.700 2.142 1.998 2.239 . 0 0 "[ . 1 . 2 ]" 1
595 1 79 THR H 1 79 THR HA 3.000 . 3.300 2.627 2.287 2.942 . 0 0 "[ . 1 . 2 ]" 1
596 1 79 THR HA 1 80 ARG H 4.000 . 5.000 3.018 2.760 3.309 . 0 0 "[ . 1 . 2 ]" 1
597 1 79 THR HB 1 80 ARG H 4.000 . 5.000 4.048 3.459 4.372 . 0 0 "[ . 1 . 2 ]" 1
598 1 79 THR H 1 79 THR HB 3.000 . 4.300 3.603 2.798 3.883 . 0 0 "[ . 1 . 2 ]" 1
599 1 79 THR HG1 1 80 ARG H 4.000 . 6.000 3.864 3.277 4.087 . 0 0 "[ . 1 . 2 ]" 1
600 1 79 THR H 1 79 THR HG1 3.000 . 4.300 2.882 2.183 3.432 . 0 0 "[ . 1 . 2 ]" 1
601 1 79 THR H 1 80 ARG H 2.500 . 2.700 2.155 1.770 2.486 0.030 18 0 "[ . 1 . 2 ]" 1
602 1 8 ILE HA 1 8 ILE MD 4.000 . 6.000 3.371 1.977 3.931 . 0 0 "[ . 1 . 2 ]" 1
603 1 8 ILE HA 1 9 GLY H 4.000 . 5.000 3.229 3.030 3.512 . 0 0 "[ . 1 . 2 ]" 1
604 1 80 ARG HA 1 80 ARG QG 3.000 . 4.300 2.930 2.536 3.465 . 0 0 "[ . 1 . 2 ]" 1
605 1 80 ARG H 1 80 ARG HA 2.500 . 2.700 2.596 2.253 2.914 0.214 1 0 "[ . 1 . 2 ]" 1
606 1 80 ARG HA 1 81 GLY H 2.500 . 2.700 2.588 2.210 2.707 0.007 3 0 "[ . 1 . 2 ]" 1
607 1 80 ARG QB 1 81 GLY H 4.000 . 6.000 2.885 1.830 4.041 . 0 0 "[ . 1 . 2 ]" 1
608 1 80 ARG QB 1 82 ARG QB 4.000 . 6.000 4.579 4.053 4.904 . 0 0 "[ . 1 . 2 ]" 1
609 1 80 ARG H 1 80 ARG QG 4.000 . 6.000 3.024 2.356 4.346 . 0 0 "[ . 1 . 2 ]" 1
610 1 80 ARG QG 1 81 GLY H 4.000 . 6.000 4.041 3.369 4.434 . 0 0 "[ . 1 . 2 ]" 1
611 1 80 ARG H 1 81 GLY H 3.000 . 4.300 3.680 2.564 4.362 0.062 10 0 "[ . 1 . 2 ]" 1
612 1 81 GLY QA 1 82 ARG H 3.000 . 4.300 2.343 2.106 2.701 . 0 0 "[ . 1 . 2 ]" 1
613 1 82 ARG HA 1 83 LYS H 3.000 . 3.300 2.188 2.125 2.341 . 0 0 "[ . 1 . 2 ]" 1
614 1 82 ARG QB 1 83 LYS H 3.000 . 4.300 3.709 3.012 3.934 . 0 0 "[ . 1 . 2 ]" 1
615 1 82 ARG H 1 83 LYS H 4.000 . 5.000 3.931 2.863 4.612 . 0 0 "[ . 1 . 2 ]" 1
616 1 83 LYS H 1 83 LYS HA 2.500 . 2.700 2.767 2.692 2.845 0.145 13 0 "[ . 1 . 2 ]" 1
617 1 83 LYS HA 1 85 LEU QD 4.000 . 6.000 3.679 2.516 3.957 . 0 0 "[ . 1 . 2 ]" 1
618 1 83 LYS QB 1 84 LEU H 3.000 . 4.300 2.693 2.170 3.862 . 0 0 "[ . 1 . 2 ]" 1
619 1 83 LYS QB 1 85 LEU QD 4.000 . 6.000 2.336 1.904 2.682 . 0 0 "[ . 1 . 2 ]" 1
620 1 83 LYS QD 1 85 LEU QD 2.500 . 2.700 1.673 1.618 1.752 0.182 16 0 "[ . 1 . 2 ]" 1
621 1 83 LYS H 1 83 LYS QG 4.000 . 6.000 2.794 2.514 3.740 . 0 0 "[ . 1 . 2 ]" 1
622 1 83 LYS H 1 84 LEU H 4.000 . 5.000 4.230 4.014 4.360 . 0 0 "[ . 1 . 2 ]" 1
623 1 84 LEU HA 1 84 LEU QB 2.500 . 3.700 2.265 2.149 2.471 . 0 0 "[ . 1 . 2 ]" 1
624 1 84 LEU HA 1 85 LEU QB 4.000 . 6.000 4.585 4.510 4.784 . 0 0 "[ . 1 . 2 ]" 1
625 1 84 LEU HA 1 85 LEU H 3.000 . 3.300 2.255 2.196 2.320 . 0 0 "[ . 1 . 2 ]" 1
626 1 84 LEU QB 1 85 LEU H 4.000 . 6.000 3.270 2.917 4.031 . 0 0 "[ . 1 . 2 ]" 1
627 1 84 LEU H 1 85 LEU H 4.000 . 5.000 4.395 3.159 4.524 . 0 0 "[ . 1 . 2 ]" 1
628 1 85 LEU HA 1 86 ARG H 4.000 . 5.000 3.556 3.541 3.573 . 0 0 "[ . 1 . 2 ]" 1
629 1 85 LEU H 1 85 LEU QB 3.000 . 4.300 3.302 3.209 3.381 . 0 0 "[ . 1 . 2 ]" 1
630 1 85 LEU QB 1 86 ARG H 3.000 . 4.300 2.430 2.228 2.735 . 0 0 "[ . 1 . 2 ]" 1
631 1 85 LEU H 1 85 LEU HG 4.000 . 5.000 2.369 2.031 2.532 . 0 0 "[ . 1 . 2 ]" 1
632 1 85 LEU H 1 86 ARG H 3.000 . 3.300 2.702 2.474 2.942 . 0 0 "[ . 1 . 2 ]" 1
633 1 86 ARG HA 1 87 PHE H 3.000 . 3.300 2.194 2.113 2.341 . 0 0 "[ . 1 . 2 ]" 1
634 1 86 ARG QB 1 86 ARG QD 3.000 . 4.300 2.056 1.918 2.365 . 0 0 "[ . 1 . 2 ]" 1
635 1 86 ARG QB 1 87 PHE H 4.000 . 6.000 3.495 3.010 3.983 . 0 0 "[ . 1 . 2 ]" 1
636 1 87 PHE HA 1 88 ASN H 2.500 . 2.700 2.513 2.144 2.725 0.025 15 0 "[ . 1 . 2 ]" 1
637 1 87 PHE QB 1 87 PHE QE 4.000 . 6.000 3.927 3.920 3.943 . 0 0 "[ . 1 . 2 ]" 1
638 1 87 PHE QB 1 88 ASN H 4.000 . 6.000 3.921 3.647 3.981 . 0 0 "[ . 1 . 2 ]" 1
639 1 88 ASN HA 1 89 GLY H 2.500 . 2.700 2.342 2.146 2.639 . 0 0 "[ . 1 . 2 ]" 1
640 1 88 ASN QB 1 89 GLY H 3.000 . 4.300 3.049 2.340 3.799 . 0 0 "[ . 1 . 2 ]" 1
641 1 9 GLY H 1 11 PHE QD 4.000 . 6.000 5.364 5.037 5.692 . 0 0 "[ . 1 . 2 ]" 1
642 1 91 VAL H 1 91 VAL HA 3.000 . 3.300 2.838 2.278 2.949 . 0 0 "[ . 1 . 2 ]" 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 74
_Distance_constraint_stats_list.Viol_count 314
_Distance_constraint_stats_list.Viol_total 176.288
_Distance_constraint_stats_list.Viol_max 0.158
_Distance_constraint_stats_list.Viol_rms 0.0165
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0054
_Distance_constraint_stats_list.Viol_average_violations_only 0.0267
_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 2 GLU 0.248 0.073 13 0 "[ . 1 . 2 ]"
1 4 GLU 0.270 0.063 4 0 "[ . 1 . 2 ]"
1 9 GLY 0.205 0.026 11 0 "[ . 1 . 2 ]"
1 13 GLN 0.236 0.026 11 0 "[ . 1 . 2 ]"
1 14 ASN 0.110 0.024 17 0 "[ . 1 . 2 ]"
1 15 LEU 0.041 0.026 11 0 "[ . 1 . 2 ]"
1 16 GLY 0.544 0.055 11 0 "[ . 1 . 2 ]"
1 17 LYS 0.857 0.072 11 0 "[ . 1 . 2 ]"
1 18 PHE 0.114 0.024 17 0 "[ . 1 . 2 ]"
1 19 ALA 0.048 0.026 11 0 "[ . 1 . 2 ]"
1 20 VAL 0.544 0.055 11 0 "[ . 1 . 2 ]"
1 21 ASP 0.826 0.072 11 0 "[ . 1 . 2 ]"
1 22 GLU 0.004 0.004 11 0 "[ . 1 . 2 ]"
1 23 GLU 0.007 0.007 1 0 "[ . 1 . 2 ]"
1 36 LYS 0.303 0.023 13 0 "[ . 1 . 2 ]"
1 38 ILE 2.156 0.158 17 0 "[ . 1 . 2 ]"
1 42 MET 0.120 0.031 17 0 "[ . 1 . 2 ]"
1 43 LYS 0.270 0.063 4 0 "[ . 1 . 2 ]"
1 44 LYS 0.016 0.006 11 0 "[ . 1 . 2 ]"
1 45 THR 0.248 0.073 13 0 "[ . 1 . 2 ]"
1 46 ILE 0.380 0.078 15 0 "[ . 1 . 2 ]"
1 54 LYS 0.332 0.078 15 0 "[ . 1 . 2 ]"
1 55 GLY 0.048 0.043 11 0 "[ . 1 . 2 ]"
1 56 TYR 0.331 0.061 12 0 "[ . 1 . 2 ]"
1 57 GLU 0.016 0.006 11 0 "[ . 1 . 2 ]"
1 58 TYR 0.036 0.036 1 0 "[ . 1 . 2 ]"
1 59 GLN 0.120 0.031 17 0 "[ . 1 . 2 ]"
1 60 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 61 TYR 2.156 0.158 17 0 "[ . 1 . 2 ]"
1 62 VAL 0.532 0.063 5 0 "[ . 1 . 2 ]"
1 63 TYR 0.303 0.023 13 0 "[ . 1 . 2 ]"
1 64 ALA 0.392 0.049 12 0 "[ . 1 . 2 ]"
1 67 LYS 0.392 0.049 12 0 "[ . 1 . 2 ]"
1 69 PHE 0.532 0.063 5 0 "[ . 1 . 2 ]"
1 70 ARG 0.059 0.051 16 0 "[ . 1 . 2 ]"
1 71 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 72 ASP 1.340 0.120 13 0 "[ . 1 . 2 ]"
1 73 ILE 0.036 0.036 1 0 "[ . 1 . 2 ]"
1 74 SER 0.018 0.013 12 0 "[ . 1 . 2 ]"
1 75 GLU 0.331 0.061 12 0 "[ . 1 . 2 ]"
1 76 ASP 0.426 0.049 16 0 "[ . 1 . 2 ]"
1 81 GLY 0.426 0.049 16 0 "[ . 1 . 2 ]"
1 83 LYS 0.018 0.013 12 0 "[ . 1 . 2 ]"
1 85 LEU 0.140 0.033 1 0 "[ . 1 . 2 ]"
1 86 ARG 1.199 0.120 13 0 "[ . 1 . 2 ]"
1 88 ASN 0.059 0.051 16 0 "[ . 1 . 2 ]"
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 13 GLN O 1 17 LYS H 2.300 . 2.500 2.380 2.163 2.523 0.023 15 0 "[ . 1 . 2 ]" 2
2 1 13 GLN O 1 17 LYS N 3.300 2.500 3.500 3.186 2.982 3.320 . 0 0 "[ . 1 . 2 ]" 2
3 1 14 ASN O 1 18 PHE H 2.300 . 2.500 2.442 2.231 2.524 0.024 17 0 "[ . 1 . 2 ]" 2
4 1 14 ASN O 1 18 PHE N 3.300 2.500 3.500 3.365 3.167 3.448 . 0 0 "[ . 1 . 2 ]" 2
5 1 15 LEU O 1 19 ALA H 2.300 . 2.500 1.966 1.803 2.100 . 0 0 "[ . 1 . 2 ]" 2
6 1 15 LEU O 1 19 ALA N 3.300 2.500 3.500 2.545 2.474 2.648 0.026 11 0 "[ . 1 . 2 ]" 2
7 1 16 GLY O 1 20 VAL H 2.300 . 2.500 2.521 2.435 2.555 0.055 11 0 "[ . 1 . 2 ]" 2
8 1 16 GLY O 1 20 VAL N 3.300 2.500 3.500 3.440 3.392 3.494 . 0 0 "[ . 1 . 2 ]" 2
9 1 17 LYS O 1 21 ASP H 2.300 . 2.500 2.539 2.526 2.572 0.072 11 0 "[ . 1 . 2 ]" 2
10 1 17 LYS O 1 21 ASP N 3.300 2.500 3.500 3.460 3.398 3.505 0.005 13 0 "[ . 1 . 2 ]" 2
11 1 18 PHE O 1 22 GLU H 2.300 . 2.500 2.070 1.867 2.444 . 0 0 "[ . 1 . 2 ]" 2
12 1 18 PHE O 1 22 GLU N 3.300 2.500 3.500 2.717 2.496 3.120 0.004 11 0 "[ . 1 . 2 ]" 2
13 1 19 ALA O 1 23 GLU H 2.300 . 2.500 1.845 1.676 2.146 . 0 0 "[ . 1 . 2 ]" 2
14 1 19 ALA O 1 23 GLU N 3.300 2.500 3.500 2.581 2.493 2.844 0.007 1 0 "[ . 1 . 2 ]" 2
15 1 36 LYS O 1 63 TYR H 2.300 . 2.500 2.332 1.845 2.518 0.018 5 0 "[ . 1 . 2 ]" 2
16 1 36 LYS O 1 63 TYR N 3.300 2.500 3.500 2.855 2.558 3.146 . 0 0 "[ . 1 . 2 ]" 2
17 1 38 ILE O 1 61 TYR H 2.300 . 2.500 2.594 2.520 2.658 0.158 17 0 "[ . 1 . 2 ]" 2
18 1 38 ILE O 1 61 TYR N 3.300 2.500 3.500 3.309 3.198 3.445 . 0 0 "[ . 1 . 2 ]" 2
19 1 42 MET O 1 59 GLN H 2.300 . 2.500 2.221 1.683 2.516 0.016 7 0 "[ . 1 . 2 ]" 2
20 1 42 MET O 1 59 GLN N 3.300 2.500 3.500 3.022 2.613 3.364 . 0 0 "[ . 1 . 2 ]" 2
21 1 4 GLU H 1 43 LYS O 2.300 . 2.500 2.404 2.054 2.563 0.063 4 0 "[ . 1 . 2 ]" 2
22 1 4 GLU N 1 43 LYS O 3.000 2.200 3.200 3.042 2.548 3.217 0.017 11 0 "[ . 1 . 2 ]" 2
23 1 44 LYS O 1 57 GLU H 2.300 . 2.500 2.157 1.669 2.506 0.006 11 0 "[ . 1 . 2 ]" 2
24 1 44 LYS O 1 57 GLU N 3.300 2.500 3.500 3.033 2.626 3.266 . 0 0 "[ . 1 . 2 ]" 2
25 1 2 GLU H 1 45 THR O 2.300 . 2.500 2.374 1.965 2.515 0.015 2 0 "[ . 1 . 2 ]" 2
26 1 2 GLU N 1 45 THR O 3.000 2.200 3.200 3.108 2.660 3.273 0.073 13 0 "[ . 1 . 2 ]" 2
27 1 46 ILE O 1 54 LYS H 2.300 . 2.500 2.469 2.258 2.578 0.078 15 0 "[ . 1 . 2 ]" 2
28 1 46 ILE O 1 54 LYS N 3.300 2.500 3.500 2.915 2.700 3.196 . 0 0 "[ . 1 . 2 ]" 2
29 1 46 ILE O 1 55 GLY H 2.300 . 2.500 1.694 1.569 2.062 . 0 0 "[ . 1 . 2 ]" 2
30 1 46 ILE O 1 55 GLY N 3.300 2.500 3.500 2.627 2.500 3.034 . 0 0 "[ . 1 . 2 ]" 2
31 1 46 ILE H 1 55 GLY O 2.300 . 2.500 1.842 1.588 2.502 0.002 2 0 "[ . 1 . 2 ]" 2
32 1 46 ILE N 1 55 GLY O 3.300 2.500 3.500 2.662 2.457 3.430 0.043 11 0 "[ . 1 . 2 ]" 2
33 1 56 TYR O 1 75 GLU H 2.300 . 2.500 2.392 2.218 2.525 0.025 10 0 "[ . 1 . 2 ]" 2
34 1 56 TYR O 1 75 GLU N 3.300 2.500 3.500 3.159 2.902 3.411 . 0 0 "[ . 1 . 2 ]" 2
35 1 44 LYS H 1 57 GLU O 2.300 . 2.500 2.129 1.691 2.371 . 0 0 "[ . 1 . 2 ]" 2
36 1 44 LYS N 1 57 GLU O 3.300 2.500 3.500 2.969 2.574 3.158 . 0 0 "[ . 1 . 2 ]" 2
37 1 58 TYR O 1 73 ILE H 2.300 . 2.500 1.862 1.580 2.333 . 0 0 "[ . 1 . 2 ]" 2
38 1 58 TYR O 1 73 ILE N 3.300 2.500 3.500 2.731 2.501 3.287 . 0 0 "[ . 1 . 2 ]" 2
39 1 42 MET H 1 59 GLN O 2.300 . 2.500 2.180 1.821 2.531 0.031 17 0 "[ . 1 . 2 ]" 2
40 1 42 MET N 1 59 GLN O 3.300 2.500 3.500 3.039 2.583 3.501 0.001 17 0 "[ . 1 . 2 ]" 2
41 1 60 LEU O 1 71 ALA H 2.300 . 2.500 1.883 1.672 2.028 . 0 0 "[ . 1 . 2 ]" 2
42 1 60 LEU O 1 71 ALA N 3.300 2.500 3.500 2.766 2.602 2.927 . 0 0 "[ . 1 . 2 ]" 2
43 1 38 ILE H 1 61 TYR O 2.300 . 2.500 2.456 2.216 2.539 0.039 18 0 "[ . 1 . 2 ]" 2
44 1 38 ILE N 1 61 TYR O 3.300 2.500 3.500 3.133 2.879 3.363 . 0 0 "[ . 1 . 2 ]" 2
45 1 62 VAL O 1 69 PHE H 2.300 . 2.500 2.166 1.688 2.540 0.040 15 0 "[ . 1 . 2 ]" 2
46 1 62 VAL O 1 69 PHE N 3.300 2.500 3.500 2.869 2.529 3.343 . 0 0 "[ . 1 . 2 ]" 2
47 1 36 LYS H 1 63 TYR O 2.300 . 2.500 2.437 2.018 2.523 0.023 13 0 "[ . 1 . 2 ]" 2
48 1 36 LYS N 1 63 TYR O 3.300 2.500 3.500 2.990 2.591 3.229 . 0 0 "[ . 1 . 2 ]" 2
49 1 64 ALA H 1 67 LYS O 2.300 . 2.500 2.511 2.422 2.549 0.049 12 0 "[ . 1 . 2 ]" 2
50 1 64 ALA N 1 67 LYS O 3.300 2.500 3.500 3.046 2.833 3.213 . 0 0 "[ . 1 . 2 ]" 2
51 1 62 VAL H 1 69 PHE O 2.300 . 2.500 2.434 1.775 2.563 0.063 5 0 "[ . 1 . 2 ]" 2
52 1 62 VAL N 1 69 PHE O 3.300 2.500 3.500 2.829 2.603 3.195 . 0 0 "[ . 1 . 2 ]" 2
53 1 70 ARG O 1 88 ASN H 2.300 . 2.500 2.036 1.767 2.551 0.051 16 0 "[ . 1 . 2 ]" 2
54 1 70 ARG O 1 88 ASN N 3.300 2.500 3.500 2.793 2.497 3.323 0.003 1 0 "[ . 1 . 2 ]" 2
55 1 60 LEU H 1 71 ALA O 2.300 . 2.500 2.103 1.914 2.284 . 0 0 "[ . 1 . 2 ]" 2
56 1 60 LEU N 1 71 ALA O 3.300 2.500 3.500 2.995 2.851 3.092 . 0 0 "[ . 1 . 2 ]" 2
57 1 72 ASP O 1 85 LEU H 2.300 . 2.500 2.397 2.250 2.533 0.033 1 0 "[ . 1 . 2 ]" 2
58 1 72 ASP O 1 85 LEU N 4.000 3.200 4.200 3.346 3.207 3.495 . 0 0 "[ . 1 . 2 ]" 2
59 1 72 ASP O 1 86 ARG H 3.300 2.500 3.500 3.386 3.099 3.547 0.047 6 0 "[ . 1 . 2 ]" 2
60 1 72 ASP O 1 86 ARG N 4.300 3.500 4.500 3.812 3.611 4.080 . 0 0 "[ . 1 . 2 ]" 2
61 1 58 TYR H 1 73 ILE O 2.300 . 2.500 1.773 1.607 2.083 . 0 0 "[ . 1 . 2 ]" 2
62 1 58 TYR N 1 73 ILE O 3.300 2.500 3.500 2.604 2.464 2.905 0.036 1 0 "[ . 1 . 2 ]" 2
63 1 74 SER O 1 83 LYS H 2.300 . 2.500 1.968 1.555 2.375 . 0 0 "[ . 1 . 2 ]" 2
64 1 74 SER O 1 83 LYS N 3.300 2.500 3.500 2.841 2.498 3.211 0.002 2 0 "[ . 1 . 2 ]" 2
65 1 56 TYR H 1 75 GLU O 2.300 . 2.500 2.436 1.900 2.561 0.061 12 0 "[ . 1 . 2 ]" 2
66 1 56 TYR N 1 75 GLU O 3.300 2.500 3.500 3.215 2.654 3.379 . 0 0 "[ . 1 . 2 ]" 2
67 1 76 ASP H 1 81 GLY O 3.300 2.500 3.500 2.749 2.451 3.518 0.049 16 0 "[ . 1 . 2 ]" 2
68 1 76 ASP N 1 81 GLY O 3.300 2.500 3.500 3.423 3.025 3.546 0.046 1 0 "[ . 1 . 2 ]" 2
69 1 74 SER H 1 83 LYS O 2.300 . 2.500 2.380 2.096 2.513 0.013 12 0 "[ . 1 . 2 ]" 2
70 1 74 SER N 1 83 LYS O 3.300 2.500 3.500 3.267 2.874 3.469 . 0 0 "[ . 1 . 2 ]" 2
71 1 72 ASP H 1 86 ARG O 2.300 . 2.500 2.547 2.467 2.620 0.120 13 0 "[ . 1 . 2 ]" 2
72 1 72 ASP N 1 86 ARG O 3.300 2.500 3.500 3.278 2.971 3.380 . 0 0 "[ . 1 . 2 ]" 2
73 1 9 GLY O 1 13 GLN H 2.300 . 2.500 2.479 2.229 2.526 0.026 11 0 "[ . 1 . 2 ]" 2
74 1 9 GLY O 1 13 GLN N 3.300 2.500 3.500 3.428 3.188 3.484 . 0 0 "[ . 1 . 2 ]" 2
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