NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
389975 |
1nyn   |
5695 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1nyn
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 665
_Distance_constraint_stats_list.Viol_count 49
_Distance_constraint_stats_list.Viol_total 15.138
_Distance_constraint_stats_list.Viol_max 0.070
_Distance_constraint_stats_list.Viol_rms 0.0018
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0154
_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 24 VAL 0.000 0.000 16 0 "[ . 1 . 2]"
1 25 THR 0.000 0.000 7 0 "[ . 1 . 2]"
1 26 LYS 0.000 0.000 1 0 "[ . 1 . 2]"
1 27 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 GLU 0.001 0.001 10 0 "[ . 1 . 2]"
1 33 ASN 0.010 0.004 20 0 "[ . 1 . 2]"
1 34 THR 0.012 0.004 20 0 "[ . 1 . 2]"
1 35 ASP 0.139 0.070 10 0 "[ . 1 . 2]"
1 36 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ILE 0.002 0.001 6 0 "[ . 1 . 2]"
1 38 VAL 0.004 0.001 16 0 "[ . 1 . 2]"
1 39 PHE 0.003 0.001 16 0 "[ . 1 . 2]"
1 40 ALA 0.000 0.000 16 0 "[ . 1 . 2]"
1 41 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LEU 0.010 0.008 10 0 "[ . 1 . 2]"
1 46 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ASP 0.004 0.003 13 0 "[ . 1 . 2]"
1 48 GLU 0.010 0.008 10 0 "[ . 1 . 2]"
1 49 TYR 0.000 0.000 6 0 "[ . 1 . 2]"
1 50 LEU 0.001 0.001 13 0 "[ . 1 . 2]"
1 51 LYS 0.003 0.003 13 0 "[ . 1 . 2]"
1 52 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 PRO 0.014 0.014 12 0 "[ . 1 . 2]"
1 54 SER 0.014 0.014 12 0 "[ . 1 . 2]"
1 55 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LEU 0.001 0.001 3 0 "[ . 1 . 2]"
1 59 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLU 0.011 0.011 10 0 "[ . 1 . 2]"
1 61 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 VAL 0.000 0.000 16 0 "[ . 1 . 2]"
1 63 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 PHE 0.001 0.001 5 0 "[ . 1 . 2]"
1 69 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLN 0.001 0.001 6 0 "[ . 1 . 2]"
1 76 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LEU 0.001 0.001 6 0 "[ . 1 . 2]"
1 81 GLY 0.000 0.000 8 0 "[ . 1 . 2]"
1 82 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ASN 0.004 0.002 17 0 "[ . 1 . 2]"
1 91 GLU 0.004 0.002 17 0 "[ . 1 . 2]"
1 92 PHE 0.009 0.004 17 0 "[ . 1 . 2]"
1 93 GLY 0.526 0.067 9 0 "[ . 1 . 2]"
1 94 LYS 0.522 0.067 9 0 "[ . 1 . 2]"
1 96 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 ILE 0.004 0.004 17 0 "[ . 1 . 2]"
1 99 GLU 0.004 0.004 17 0 "[ . 1 . 2]"
1 100 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 VAL 0.005 0.004 17 0 "[ . 1 . 2]"
1 102 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 LEU 0.000 0.000 6 0 "[ . 1 . 2]"
1 107 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 GLY 0.022 0.022 16 0 "[ . 1 . 2]"
1 110 LYS 0.022 0.022 16 0 "[ . 1 . 2]"
1 111 PRO 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 32 GLU H 1 33 ASN H 1.800 . 4.000 2.884 2.220 3.661 . 0 0 "[ . 1 . 2]" 1
2 1 33 ASN H 1 34 THR H 1.800 . 3.200 1.956 1.796 2.288 0.004 20 0 "[ . 1 . 2]" 1
3 1 41 ALA H 1 42 SER H 1.800 . 4.000 2.820 2.228 3.629 . 0 0 "[ . 1 . 2]" 1
4 1 43 GLU H 1 44 GLU H 1.800 . 4.000 2.683 2.397 3.001 . 0 0 "[ . 1 . 2]" 1
5 1 44 GLU H 1 45 LEU H 1.800 . 3.200 2.946 2.557 3.158 . 0 0 "[ . 1 . 2]" 1
6 1 45 LEU H 1 46 VAL H 1.800 . 3.200 2.836 2.536 3.097 . 0 0 "[ . 1 . 2]" 1
7 1 46 VAL H 1 47 ASP H 1.800 . 3.200 2.928 2.600 3.173 . 0 0 "[ . 1 . 2]" 1
8 1 47 ASP H 1 48 GLU H 1.800 . 3.200 2.788 2.466 3.038 . 0 0 "[ . 1 . 2]" 1
9 1 48 GLU H 1 49 TYR H 1.800 . 3.200 2.692 2.453 2.948 . 0 0 "[ . 1 . 2]" 1
10 1 49 TYR H 1 50 LEU H 1.800 . 3.200 2.780 2.342 3.042 . 0 0 "[ . 1 . 2]" 1
11 1 50 LEU H 1 51 LYS H 1.800 . 3.200 2.807 2.602 3.133 . 0 0 "[ . 1 . 2]" 1
12 1 51 LYS H 1 52 ASN H 1.800 . 3.200 2.518 2.226 2.913 . 0 0 "[ . 1 . 2]" 1
13 1 57 LYS H 1 58 LEU H 1.800 . 4.000 2.463 1.961 2.882 . 0 0 "[ . 1 . 2]" 1
14 1 58 LEU H 1 59 SER H 1.800 . 4.000 2.803 2.551 3.141 . 0 0 "[ . 1 . 2]" 1
15 1 59 SER H 1 60 GLU H 1.800 . 3.200 2.738 2.476 3.064 . 0 0 "[ . 1 . 2]" 1
16 1 60 GLU H 1 61 VAL H 1.800 . 3.200 2.593 2.156 2.931 . 0 0 "[ . 1 . 2]" 1
17 1 61 VAL H 1 62 VAL H 1.800 . 3.200 2.777 2.379 3.110 . 0 0 "[ . 1 . 2]" 1
18 1 63 GLU H 1 64 LEU H 1.800 . 3.200 2.360 1.818 2.754 . 0 0 "[ . 1 . 2]" 1
19 1 86 ALA H 1 87 GLN H 1.800 . 5.000 2.656 2.334 2.982 . 0 0 "[ . 1 . 2]" 1
20 1 87 GLN H 1 88 VAL H 1.800 . 5.000 2.774 2.444 3.235 . 0 0 "[ . 1 . 2]" 1
21 1 88 VAL H 1 89 GLU H 1.800 . 3.200 2.663 2.366 3.012 . 0 0 "[ . 1 . 2]" 1
22 1 89 GLU H 1 90 ASN H 1.800 . 3.200 2.724 2.446 2.935 . 0 0 "[ . 1 . 2]" 1
23 1 90 ASN H 1 91 GLU H 1.800 . 3.200 2.650 2.393 2.914 . 0 0 "[ . 1 . 2]" 1
24 1 91 GLU H 1 92 PHE H 1.800 . 3.200 2.544 2.084 2.974 . 0 0 "[ . 1 . 2]" 1
25 1 92 PHE H 1 93 GLY H 1.800 . 3.200 2.595 1.798 3.202 0.002 19 0 "[ . 1 . 2]" 1
26 1 99 GLU H 1 100 GLU H 1.800 . 3.200 2.762 2.476 3.009 . 0 0 "[ . 1 . 2]" 1
27 1 100 GLU H 1 101 VAL H 1.800 . 3.200 2.775 2.454 3.109 . 0 0 "[ . 1 . 2]" 1
28 1 101 VAL H 1 102 ILE H 1.800 . 3.200 2.973 2.717 3.193 . 0 0 "[ . 1 . 2]" 1
29 1 102 ILE H 1 103 ASP H 1.800 . 3.200 2.787 2.636 3.149 . 0 0 "[ . 1 . 2]" 1
30 1 103 ASP H 1 104 LEU H 1.800 . 3.200 2.948 2.806 3.154 . 0 0 "[ . 1 . 2]" 1
31 1 104 LEU H 1 105 ILE H 1.800 . 3.200 2.879 2.680 3.057 . 0 0 "[ . 1 . 2]" 1
32 1 105 ILE H 1 106 LEU H 1.800 . 3.200 2.845 2.411 3.120 . 0 0 "[ . 1 . 2]" 1
33 1 106 LEU H 1 107 ARG H 1.800 . 3.200 2.709 2.377 2.984 . 0 0 "[ . 1 . 2]" 1
34 1 108 ASN H 1 109 GLY H 1.800 . 3.200 2.896 2.557 3.198 . 0 0 "[ . 1 . 2]" 1
35 1 109 GLY H 1 110 LYS H 1.800 . 4.000 3.886 3.363 4.022 0.022 16 0 "[ . 1 . 2]" 1
36 1 32 GLU H 1 34 THR H 1.800 . 5.000 4.007 3.008 4.753 . 0 0 "[ . 1 . 2]" 1
37 1 44 GLU H 1 46 VAL H 1.800 . 5.000 4.168 3.566 4.670 . 0 0 "[ . 1 . 2]" 1
38 1 50 LEU H 1 52 ASN H 1.800 . 5.000 4.072 3.759 4.576 . 0 0 "[ . 1 . 2]" 1
39 1 88 VAL H 1 90 ASN H 1.800 . 5.000 4.221 3.852 4.932 . 0 0 "[ . 1 . 2]" 1
40 1 89 GLU H 1 91 GLU H 1.800 . 5.000 4.049 3.753 4.246 . 0 0 "[ . 1 . 2]" 1
41 1 91 GLU H 1 93 GLY H 1.800 . 5.000 3.967 3.216 4.838 . 0 0 "[ . 1 . 2]" 1
42 1 99 GLU H 1 101 VAL H 1.800 . 5.000 4.244 3.695 4.667 . 0 0 "[ . 1 . 2]" 1
43 1 100 GLU H 1 102 ILE H 1.800 . 5.000 4.464 3.766 4.931 . 0 0 "[ . 1 . 2]" 1
44 1 24 VAL HA 1 25 THR H 1.800 . 2.800 2.573 2.244 2.783 . 0 0 "[ . 1 . 2]" 1
45 1 25 THR HA 1 26 LYS H 1.800 . 2.800 2.329 2.209 2.686 . 0 0 "[ . 1 . 2]" 1
46 1 26 LYS HA 1 27 TYR H 1.800 . 2.800 2.233 2.190 2.398 . 0 0 "[ . 1 . 2]" 1
47 1 27 TYR HA 1 28 PHE H 1.800 . 2.800 2.220 2.190 2.400 . 0 0 "[ . 1 . 2]" 1
48 1 28 PHE HA 1 29 TYR H 1.800 . 2.800 2.329 2.190 2.458 . 0 0 "[ . 1 . 2]" 1
49 1 29 TYR HA 1 30 LYS H 1.800 . 2.800 2.236 2.191 2.310 . 0 0 "[ . 1 . 2]" 1
50 1 30 LYS HA 1 31 GLY H 1.800 . 2.800 2.228 2.193 2.291 . 0 0 "[ . 1 . 2]" 1
51 1 31 GLY HA3 1 32 GLU H 1.800 . 3.200 2.431 2.290 2.717 . 0 0 "[ . 1 . 2]" 1
52 1 31 GLY HA2 1 32 GLU H 1.800 . 3.200 2.822 2.510 3.003 . 0 0 "[ . 1 . 2]" 1
53 1 34 THR HA 1 35 ASP H 1.800 . 2.800 2.390 2.194 2.599 . 0 0 "[ . 1 . 2]" 1
54 1 35 ASP HA 1 36 LEU H 1.800 . 2.800 2.253 2.190 2.416 . 0 0 "[ . 1 . 2]" 1
55 1 36 LEU HA 1 37 ILE H 1.800 . 2.800 2.318 2.199 2.416 . 0 0 "[ . 1 . 2]" 1
56 1 37 ILE HA 1 38 VAL H 1.800 . 2.800 2.291 2.195 2.359 . 0 0 "[ . 1 . 2]" 1
57 1 38 VAL HA 1 39 PHE H 1.800 . 2.800 2.461 2.291 2.697 . 0 0 "[ . 1 . 2]" 1
58 1 39 PHE HA 1 40 ALA H 1.800 . 2.800 2.349 2.248 2.494 . 0 0 "[ . 1 . 2]" 1
59 1 40 ALA HA 1 41 ALA H 1.800 . 3.200 2.484 2.199 2.714 . 0 0 "[ . 1 . 2]" 1
60 1 42 SER HA 1 43 GLU H 1.800 . 3.200 2.349 2.202 2.519 . 0 0 "[ . 1 . 2]" 1
61 1 53 PRO HA 1 54 SER H 1.800 . 2.800 2.314 2.206 2.728 . 0 0 "[ . 1 . 2]" 1
62 1 62 VAL HA 1 63 GLU H 1.800 . 3.200 2.221 2.191 2.376 . 0 0 "[ . 1 . 2]" 1
63 1 65 PHE HA 1 66 GLU H 1.800 . 2.800 2.443 2.267 2.700 . 0 0 "[ . 1 . 2]" 1
64 1 66 GLU HA 1 67 VAL H 1.800 . 2.800 2.359 2.191 2.688 . 0 0 "[ . 1 . 2]" 1
65 1 67 VAL HA 1 68 PHE H 1.800 . 2.800 2.229 2.190 2.325 . 0 0 "[ . 1 . 2]" 1
66 1 68 PHE HA 1 69 THR H 1.800 . 3.200 2.421 2.299 2.730 . 0 0 "[ . 1 . 2]" 1
67 1 79 GLU HA 1 80 LEU H 1.800 . 3.200 2.478 2.194 3.200 . 0 0 "[ . 1 . 2]" 1
68 1 80 LEU HA 1 81 GLY H 1.800 . 2.800 2.558 2.317 2.798 . 0 0 "[ . 1 . 2]" 1
69 1 82 ALA HA 1 83 ALA H 1.800 . 2.800 2.291 2.191 2.484 . 0 0 "[ . 1 . 2]" 1
70 1 83 ALA HA 1 84 SER H 1.800 . 2.800 2.425 2.200 2.745 . 0 0 "[ . 1 . 2]" 1
71 1 93 GLY HA3 1 94 LYS H 1.800 . 3.200 2.755 2.196 3.267 0.067 9 0 "[ . 1 . 2]" 1
72 1 93 GLY HA2 1 94 LYS H 1.800 . 3.200 2.783 2.206 3.266 0.066 3 0 "[ . 1 . 2]" 1
73 1 96 LYS HA 1 97 LYS H 1.800 . 2.800 2.500 2.205 2.785 . 0 0 "[ . 1 . 2]" 1
74 1 42 SER HA 1 44 GLU H 1.800 . 5.000 4.140 3.774 4.594 . 0 0 "[ . 1 . 2]" 1
75 1 62 VAL HA 1 64 LEU H 1.800 . 5.000 3.937 3.439 4.882 . 0 0 "[ . 1 . 2]" 1
76 1 89 GLU HA 1 91 GLU H 1.800 . 5.000 3.825 3.344 4.336 . 0 0 "[ . 1 . 2]" 1
77 1 97 LYS HA 1 99 GLU H 1.800 . 5.000 4.356 3.784 4.884 . 0 0 "[ . 1 . 2]" 1
78 1 43 GLU HA 1 46 VAL H 1.800 . 4.000 3.551 2.968 3.929 . 0 0 "[ . 1 . 2]" 1
79 1 44 GLU HA 1 47 ASP H 1.800 . 4.000 3.786 3.588 3.994 . 0 0 "[ . 1 . 2]" 1
80 1 45 LEU HA 1 48 GLU H 1.800 . 4.000 3.452 2.913 3.872 . 0 0 "[ . 1 . 2]" 1
81 1 46 VAL HA 1 49 TYR H 1.800 . 4.000 3.445 3.198 3.781 . 0 0 "[ . 1 . 2]" 1
82 1 47 ASP HA 1 50 LEU H 1.800 . 4.000 3.563 3.217 3.929 . 0 0 "[ . 1 . 2]" 1
83 1 48 GLU HA 1 51 LYS H 1.800 . 4.000 3.559 3.235 3.817 . 0 0 "[ . 1 . 2]" 1
84 1 49 TYR HA 1 52 ASN H 1.800 . 4.000 3.268 2.967 3.881 . 0 0 "[ . 1 . 2]" 1
85 1 55 ILE HA 1 58 LEU H 1.800 . 5.000 3.601 3.008 4.218 . 0 0 "[ . 1 . 2]" 1
86 1 57 LYS HA 1 60 GLU H 1.800 . 4.000 3.327 2.920 3.531 . 0 0 "[ . 1 . 2]" 1
87 1 58 LEU HA 1 61 VAL H 1.800 . 5.000 3.375 3.049 3.739 . 0 0 "[ . 1 . 2]" 1
88 1 85 LYS HA 1 88 VAL H 1.800 . 4.000 3.623 3.138 3.951 . 0 0 "[ . 1 . 2]" 1
89 1 86 ALA HA 1 89 GLU H 1.800 . 4.000 3.510 2.865 3.858 . 0 0 "[ . 1 . 2]" 1
90 1 87 GLN HA 1 90 ASN H 1.800 . 4.000 3.670 3.229 3.944 . 0 0 "[ . 1 . 2]" 1
91 1 88 VAL HA 1 91 GLU H 1.800 . 4.000 3.495 2.993 3.956 . 0 0 "[ . 1 . 2]" 1
92 1 89 GLU HA 1 92 PHE H 1.800 . 4.000 3.547 3.016 3.974 . 0 0 "[ . 1 . 2]" 1
93 1 98 ILE HA 1 101 VAL H 1.800 . 4.000 3.564 3.295 3.961 . 0 0 "[ . 1 . 2]" 1
94 1 99 GLU HA 1 102 ILE H 1.800 . 4.000 3.847 3.531 3.993 . 0 0 "[ . 1 . 2]" 1
95 1 100 GLU HA 1 103 ASP H 1.800 . 4.000 3.427 3.092 3.888 . 0 0 "[ . 1 . 2]" 1
96 1 101 VAL HA 1 104 LEU H 1.800 . 4.000 3.751 3.413 3.991 . 0 0 "[ . 1 . 2]" 1
97 1 102 ILE HA 1 105 ILE H 1.800 . 4.000 3.542 3.181 3.815 . 0 0 "[ . 1 . 2]" 1
98 1 103 ASP HA 1 106 LEU H 1.800 . 4.000 3.557 3.004 3.957 . 0 0 "[ . 1 . 2]" 1
99 1 104 LEU HA 1 107 ARG H 1.800 . 4.000 3.479 3.055 3.874 . 0 0 "[ . 1 . 2]" 1
100 1 105 ILE HA 1 108 ASN H 1.800 . 5.000 3.683 2.985 4.157 . 0 0 "[ . 1 . 2]" 1
101 1 106 LEU HA 1 109 GLY H 1.800 . 5.000 4.362 3.702 4.899 . 0 0 "[ . 1 . 2]" 1
102 1 43 GLU HA 1 47 ASP H 1.800 . 5.000 3.886 3.661 4.356 . 0 0 "[ . 1 . 2]" 1
103 1 47 ASP HA 1 51 LYS H 1.800 . 5.000 4.668 3.966 5.003 0.003 13 0 "[ . 1 . 2]" 1
104 1 58 LEU HA 1 62 VAL H 1.800 . 5.000 3.730 3.257 4.174 . 0 0 "[ . 1 . 2]" 1
105 1 89 GLU HA 1 93 GLY H 1.800 . 4.000 2.607 1.840 3.680 . 0 0 "[ . 1 . 2]" 1
106 1 99 GLU HA 1 103 ASP H 1.800 . 5.000 4.392 3.931 4.817 . 0 0 "[ . 1 . 2]" 1
107 1 105 ILE HA 1 109 GLY H 1.800 . 5.000 4.340 3.772 4.990 . 0 0 "[ . 1 . 2]" 1
108 1 24 VAL HB 1 25 THR H 1.800 . 3.200 2.309 1.892 3.167 . 0 0 "[ . 1 . 2]" 1
109 1 26 LYS QB 1 27 TYR H 1.800 . 5.000 3.233 2.550 3.768 . 0 0 "[ . 1 . 2]" 1
110 1 30 LYS HB3 1 31 GLY H 1.800 . 5.000 4.260 3.738 4.492 . 0 0 "[ . 1 . 2]" 1
111 1 30 LYS HB2 1 31 GLY H 1.800 . 5.000 4.501 4.258 4.691 . 0 0 "[ . 1 . 2]" 1
112 1 32 GLU HB3 1 33 ASN H 1.800 . 4.000 2.940 1.800 3.834 0.000 2 0 "[ . 1 . 2]" 1
113 1 32 GLU HB2 1 33 ASN H 1.800 . 4.000 3.012 1.930 4.001 0.001 10 0 "[ . 1 . 2]" 1
114 1 33 ASN HB3 1 34 THR H 1.800 . 4.000 3.443 2.241 3.967 . 0 0 "[ . 1 . 2]" 1
115 1 33 ASN HB2 1 34 THR H 1.800 . 4.000 3.278 2.369 3.976 . 0 0 "[ . 1 . 2]" 1
116 1 34 THR HB 1 35 ASP H 1.800 . 4.000 3.714 3.133 4.002 0.002 10 0 "[ . 1 . 2]" 1
117 1 35 ASP QB 1 36 LEU H 1.800 . 4.000 3.604 3.211 3.852 . 0 0 "[ . 1 . 2]" 1
118 1 36 LEU QB 1 37 ILE H 1.800 . 4.000 2.786 2.531 3.251 . 0 0 "[ . 1 . 2]" 1
119 1 38 VAL HB 1 39 PHE H 1.800 . 4.000 2.513 1.954 2.908 . 0 0 "[ . 1 . 2]" 1
120 1 40 ALA MB 1 41 ALA H 1.800 . 3.200 2.452 1.906 3.174 . 0 0 "[ . 1 . 2]" 1
121 1 41 ALA MB 1 42 SER H 1.800 . 3.200 2.070 1.817 2.569 . 0 0 "[ . 1 . 2]" 1
122 1 42 SER QB 1 43 GLU H 1.800 . 4.000 3.002 2.286 3.697 . 0 0 "[ . 1 . 2]" 1
123 1 44 GLU QB 1 45 LEU H 1.800 . 3.200 2.215 1.890 2.722 . 0 0 "[ . 1 . 2]" 1
124 1 46 VAL HB 1 47 ASP H 1.800 . 4.000 2.376 1.999 2.735 . 0 0 "[ . 1 . 2]" 1
125 1 47 ASP HB3 1 48 GLU H 1.800 . 4.000 2.695 2.301 3.247 . 0 0 "[ . 1 . 2]" 1
126 1 47 ASP HB2 1 48 GLU H 1.800 . 4.000 3.639 3.272 3.948 . 0 0 "[ . 1 . 2]" 1
127 1 48 GLU QB 1 49 TYR H 1.800 . 4.000 2.717 2.380 3.493 . 0 0 "[ . 1 . 2]" 1
128 1 49 TYR HB3 1 50 LEU H 1.800 . 5.000 2.463 2.102 2.873 . 0 0 "[ . 1 . 2]" 1
129 1 49 TYR HB2 1 50 LEU H 1.800 . 5.000 3.812 3.554 4.080 . 0 0 "[ . 1 . 2]" 1
130 1 51 LYS QB 1 52 ASN H 1.800 . 4.000 3.051 2.453 3.845 . 0 0 "[ . 1 . 2]" 1
131 1 53 PRO QB 1 54 SER H 1.800 . 4.000 3.324 2.529 4.014 0.014 12 0 "[ . 1 . 2]" 1
132 1 59 SER HB3 1 60 GLU H 1.800 . 5.000 3.530 2.182 4.321 . 0 0 "[ . 1 . 2]" 1
133 1 59 SER HB2 1 60 GLU H 1.800 . 5.000 3.381 1.954 4.221 . 0 0 "[ . 1 . 2]" 1
134 1 61 VAL HB 1 62 VAL H 1.800 . 4.000 2.213 1.825 2.749 . 0 0 "[ . 1 . 2]" 1
135 1 68 PHE HB3 1 69 THR H 1.800 . 4.000 2.610 2.009 2.911 . 0 0 "[ . 1 . 2]" 1
136 1 68 PHE HB2 1 69 THR H 1.800 . 4.000 3.631 2.858 3.945 . 0 0 "[ . 1 . 2]" 1
137 1 80 LEU HB3 1 81 GLY H 1.800 . 4.000 2.389 1.900 3.821 . 0 0 "[ . 1 . 2]" 1
138 1 80 LEU HB2 1 81 GLY H 1.800 . 4.000 3.420 2.609 4.000 0.000 8 0 "[ . 1 . 2]" 1
139 1 82 ALA MB 1 83 ALA H 1.800 . 4.000 2.923 2.378 3.406 . 0 0 "[ . 1 . 2]" 1
140 1 83 ALA MB 1 84 SER H 1.800 . 3.200 2.644 2.137 3.162 . 0 0 "[ . 1 . 2]" 1
141 1 86 ALA MB 1 87 GLN H 1.800 . 3.200 2.537 2.055 2.983 . 0 0 "[ . 1 . 2]" 1
142 1 87 GLN HB3 1 88 VAL H 1.800 . 4.000 2.713 1.841 3.728 . 0 0 "[ . 1 . 2]" 1
143 1 87 GLN HB2 1 88 VAL H 1.800 . 4.000 3.303 2.438 3.866 . 0 0 "[ . 1 . 2]" 1
144 1 88 VAL HB 1 89 GLU H 1.800 . 4.000 2.676 2.249 3.056 . 0 0 "[ . 1 . 2]" 1
145 1 89 GLU HB3 1 90 ASN H 1.800 . 4.000 3.346 2.626 3.829 . 0 0 "[ . 1 . 2]" 1
146 1 89 GLU HB2 1 90 ASN H 1.800 . 4.000 2.934 2.215 3.976 . 0 0 "[ . 1 . 2]" 1
147 1 90 ASN HB3 1 91 GLU H 1.800 . 4.000 3.451 2.932 3.997 . 0 0 "[ . 1 . 2]" 1
148 1 90 ASN HB2 1 91 GLU H 1.800 . 4.000 3.427 2.678 4.002 0.002 17 0 "[ . 1 . 2]" 1
149 1 91 GLU HB3 1 92 PHE H 1.800 . 4.000 3.050 2.303 3.922 . 0 0 "[ . 1 . 2]" 1
150 1 91 GLU HB2 1 92 PHE H 1.800 . 4.000 2.647 1.913 3.786 . 0 0 "[ . 1 . 2]" 1
151 1 92 PHE QB 1 93 GLY H 1.800 . 4.000 3.142 1.799 3.991 0.001 10 0 "[ . 1 . 2]" 1
152 1 100 GLU HB3 1 101 VAL H 1.800 . 4.000 3.158 2.064 3.991 . 0 0 "[ . 1 . 2]" 1
153 1 100 GLU HB2 1 101 VAL H 1.800 . 4.000 2.820 2.148 3.945 . 0 0 "[ . 1 . 2]" 1
154 1 101 VAL HB 1 102 ILE H 1.800 . 4.000 2.445 2.232 2.810 . 0 0 "[ . 1 . 2]" 1
155 1 102 ILE HB 1 103 ASP H 1.800 . 4.000 2.732 2.223 3.100 . 0 0 "[ . 1 . 2]" 1
156 1 103 ASP HB3 1 104 LEU H 1.800 . 4.000 2.226 1.961 2.610 . 0 0 "[ . 1 . 2]" 1
157 1 103 ASP HB2 1 104 LEU H 1.800 . 4.000 3.534 2.738 3.976 . 0 0 "[ . 1 . 2]" 1
158 1 40 ALA MB 1 42 SER H 1.800 . 5.000 3.757 2.942 4.765 . 0 0 "[ . 1 . 2]" 1
159 1 42 SER QB 1 44 GLU H 1.800 . 5.000 2.948 2.241 3.970 . 0 0 "[ . 1 . 2]" 1
160 1 91 GLU QB 1 93 GLY H 1.800 . 5.000 4.604 4.090 4.971 . 0 0 "[ . 1 . 2]" 1
161 1 97 LYS HB3 1 99 GLU H 1.800 . 4.000 2.899 2.206 3.332 . 0 0 "[ . 1 . 2]" 1
162 1 97 LYS HB2 1 99 GLU H 1.800 . 4.000 3.157 2.497 3.763 . 0 0 "[ . 1 . 2]" 1
163 1 97 LYS HB3 1 100 GLU H 1.800 . 5.000 4.026 3.195 4.986 . 0 0 "[ . 1 . 2]" 1
164 1 97 LYS HB2 1 100 GLU H 1.800 . 5.000 2.999 2.326 3.699 . 0 0 "[ . 1 . 2]" 1
165 1 43 GLU QB 1 47 ASP H 1.800 . 5.000 4.703 4.067 4.992 . 0 0 "[ . 1 . 2]" 1
166 1 83 ALA MB 1 87 GLN H 1.800 . 5.000 4.553 4.119 4.916 . 0 0 "[ . 1 . 2]" 1
167 1 89 GLU QB 1 93 GLY H 1.800 . 5.000 4.118 3.284 4.485 . 0 0 "[ . 1 . 2]" 1
168 1 24 VAL MG1 1 25 THR H 1.800 . 5.000 3.458 1.814 3.857 . 0 0 "[ . 1 . 2]" 1
169 1 25 THR MG 1 26 LYS H 1.800 . 3.200 2.236 1.800 2.754 . 7 0 "[ . 1 . 2]" 1
170 1 30 LYS QG 1 31 GLY H 1.800 . 4.000 3.101 2.294 3.636 . 0 0 "[ . 1 . 2]" 1
171 1 34 THR MG 1 35 ASP H 1.800 . 3.200 2.500 1.884 3.193 . 0 0 "[ . 1 . 2]" 1
172 1 37 ILE MG 1 38 VAL H 1.800 . 4.000 2.120 1.799 3.013 0.001 6 0 "[ . 1 . 2]" 1
173 1 38 VAL MG1 1 39 PHE H 1.800 . 4.000 3.341 2.788 3.918 . 0 0 "[ . 1 . 2]" 1
174 1 38 VAL MG2 1 39 PHE H 1.800 . 4.000 3.764 3.351 4.001 0.001 16 0 "[ . 1 . 2]" 1
175 1 46 VAL MG1 1 47 ASP H 1.800 . 4.000 3.038 2.177 3.519 . 0 0 "[ . 1 . 2]" 1
176 1 46 VAL MG2 1 47 ASP H 1.800 . 4.000 3.820 3.611 3.965 . 0 0 "[ . 1 . 2]" 1
177 1 51 LYS QG 1 52 ASN H 1.800 . 5.000 4.215 3.577 4.916 . 0 0 "[ . 1 . 2]" 1
178 1 61 VAL MG1 1 62 VAL H 1.800 . 4.000 3.106 2.272 3.804 . 0 0 "[ . 1 . 2]" 1
179 1 61 VAL MG2 1 62 VAL H 1.800 . 4.000 3.669 3.247 3.989 . 0 0 "[ . 1 . 2]" 1
180 1 62 VAL MG1 1 63 GLU H 1.800 . 4.000 2.615 2.045 3.062 . 0 0 "[ . 1 . 2]" 1
181 1 67 VAL MG1 1 68 PHE H 1.800 . 4.000 2.507 2.127 2.982 . 0 0 "[ . 1 . 2]" 1
182 1 88 VAL MG1 1 89 GLU H 1.800 . 5.000 3.601 3.044 3.954 . 0 0 "[ . 1 . 2]" 1
183 1 98 ILE MG 1 99 GLU H 1.800 . 4.000 2.094 1.796 2.515 0.004 17 0 "[ . 1 . 2]" 1
184 1 100 GLU QG 1 101 VAL H 1.800 . 5.000 3.979 3.286 4.480 . 0 0 "[ . 1 . 2]" 1
185 1 102 ILE MG 1 103 ASP H 1.800 . 4.000 3.368 2.708 3.913 . 0 0 "[ . 1 . 2]" 1
186 1 62 VAL MG1 1 64 LEU H 1.800 . 4.000 2.424 1.808 3.283 . 0 0 "[ . 1 . 2]" 1
187 1 43 GLU QG 1 47 ASP H 1.800 . 5.000 4.348 3.832 4.955 . 0 0 "[ . 1 . 2]" 1
188 1 105 ILE MG 1 109 GLY H 1.800 . 5.000 3.835 3.147 4.820 . 0 0 "[ . 1 . 2]" 1
189 1 89 GLU QG 1 93 GLY H 1.800 . 5.000 4.109 3.216 4.972 . 0 0 "[ . 1 . 2]" 1
190 1 36 LEU MD2 1 37 ILE H 1.800 . 5.000 3.338 2.794 3.652 . 0 0 "[ . 1 . 2]" 1
191 1 50 LEU MD1 1 51 LYS H 1.800 . 5.000 4.551 4.102 4.920 . 0 0 "[ . 1 . 2]" 1
192 1 50 LEU MD2 1 51 LYS H 1.800 . 5.000 4.650 4.425 4.911 . 0 0 "[ . 1 . 2]" 1
193 1 80 LEU MD2 1 81 GLY H 1.800 . 5.000 3.246 2.229 3.962 . 0 0 "[ . 1 . 2]" 1
194 1 102 ILE MD 1 103 ASP H 1.800 . 5.000 4.447 4.019 4.856 . 0 0 "[ . 1 . 2]" 1
195 1 43 GLU HA 1 46 VAL HB 1.800 . 4.000 2.482 2.202 2.785 . 0 0 "[ . 1 . 2]" 1
196 1 44 GLU HA 1 47 ASP HB3 1.800 . 4.000 3.542 3.033 3.858 . 0 0 "[ . 1 . 2]" 1
197 1 44 GLU HA 1 47 ASP HB2 1.800 . 4.000 3.558 3.123 3.995 . 0 0 "[ . 1 . 2]" 1
198 1 45 LEU HA 1 48 GLU HB3 1.800 . 4.000 3.827 2.476 4.001 0.001 18 0 "[ . 1 . 2]" 1
199 1 45 LEU HA 1 48 GLU HB2 1.800 . 4.000 2.556 2.253 4.008 0.008 10 0 "[ . 1 . 2]" 1
200 1 46 VAL HA 1 49 TYR HB3 1.800 . 4.000 3.015 2.660 3.331 . 0 0 "[ . 1 . 2]" 1
201 1 46 VAL HA 1 49 TYR HB2 1.800 . 4.000 3.476 2.981 3.936 . 0 0 "[ . 1 . 2]" 1
202 1 47 ASP HA 1 50 LEU HB3 1.800 . 5.000 4.568 4.143 4.978 . 0 0 "[ . 1 . 2]" 1
203 1 47 ASP HA 1 50 LEU HB2 1.800 . 5.000 3.029 2.577 3.574 . 0 0 "[ . 1 . 2]" 1
204 1 48 GLU HA 1 51 LYS QB 1.800 . 5.000 2.997 2.376 3.612 . 0 0 "[ . 1 . 2]" 1
205 1 55 ILE HA 1 58 LEU HB3 1.800 . 4.000 3.552 2.878 3.999 . 0 0 "[ . 1 . 2]" 1
206 1 55 ILE HA 1 58 LEU HB2 1.800 . 4.000 2.908 2.200 3.839 . 0 0 "[ . 1 . 2]" 1
207 1 57 LYS HA 1 60 GLU QB 1.800 . 4.000 3.070 2.439 3.733 . 0 0 "[ . 1 . 2]" 1
208 1 58 LEU HA 1 61 VAL HB 1.800 . 4.000 2.837 2.321 3.276 . 0 0 "[ . 1 . 2]" 1
209 1 59 SER HA 1 62 VAL HB 1.800 . 4.000 3.584 2.722 3.979 . 0 0 "[ . 1 . 2]" 1
210 1 85 LYS HA 1 88 VAL HB 1.800 . 5.000 3.069 2.365 3.802 . 0 0 "[ . 1 . 2]" 1
211 1 86 ALA HA 1 89 GLU HB3 1.800 . 5.000 3.838 2.353 4.532 . 0 0 "[ . 1 . 2]" 1
212 1 86 ALA HA 1 89 GLU HB2 1.800 . 5.000 2.599 2.199 3.072 . 0 0 "[ . 1 . 2]" 1
213 1 87 GLN HA 1 90 ASN HB3 1.800 . 5.000 4.249 3.236 4.942 . 0 0 "[ . 1 . 2]" 1
214 1 87 GLN HA 1 90 ASN HB2 1.800 . 5.000 3.264 2.459 4.182 . 0 0 "[ . 1 . 2]" 1
215 1 98 ILE HA 1 101 VAL HB 1.800 . 4.000 2.611 2.234 2.938 . 0 0 "[ . 1 . 2]" 1
216 1 99 GLU HA 1 102 ILE HB 1.800 . 4.000 3.129 2.844 3.652 . 0 0 "[ . 1 . 2]" 1
217 1 100 GLU HA 1 103 ASP HB3 1.800 . 5.000 2.954 2.423 3.721 . 0 0 "[ . 1 . 2]" 1
218 1 100 GLU HA 1 103 ASP HB2 1.800 . 5.000 2.918 2.203 3.762 . 0 0 "[ . 1 . 2]" 1
219 1 102 ILE HA 1 105 ILE HB 1.800 . 4.000 2.654 2.346 3.019 . 0 0 "[ . 1 . 2]" 1
220 1 104 LEU HA 1 107 ARG QB 1.800 . 4.000 2.546 2.166 2.915 . 0 0 "[ . 1 . 2]" 1
221 1 43 GLU HA 1 46 VAL MG1 1.800 . 5.000 3.744 3.278 4.139 . 0 0 "[ . 1 . 2]" 1
222 1 43 GLU HA 1 46 VAL MG2 1.800 . 5.000 2.800 2.144 3.304 . 0 0 "[ . 1 . 2]" 1
223 1 47 ASP HA 1 50 LEU HG 1.800 . 5.000 3.630 2.562 4.437 . 0 0 "[ . 1 . 2]" 1
224 1 47 ASP HA 1 50 LEU MD1 1.800 . 5.000 2.412 2.191 3.098 . 0 0 "[ . 1 . 2]" 1
225 1 47 ASP HA 1 50 LEU MD2 1.800 . 5.000 4.710 4.135 5.001 0.001 13 0 "[ . 1 . 2]" 1
226 1 48 GLU HA 1 51 LYS QD 1.800 . 6.000 4.129 2.644 5.897 . 0 0 "[ . 1 . 2]" 1
227 1 55 ILE HA 1 58 LEU MD2 1.800 . 5.000 3.665 3.073 4.278 . 0 0 "[ . 1 . 2]" 1
228 1 58 LEU HA 1 61 VAL MG1 1.800 . 5.000 4.218 3.746 4.705 . 0 0 "[ . 1 . 2]" 1
229 1 58 LEU HA 1 61 VAL MG2 1.800 . 5.000 2.904 2.366 3.444 . 0 0 "[ . 1 . 2]" 1
230 1 85 LYS HA 1 88 VAL MG2 1.800 . 5.000 3.173 2.394 3.815 . 0 0 "[ . 1 . 2]" 1
231 1 86 ALA HA 1 89 GLU HG3 1.800 . 5.000 4.096 3.536 4.963 . 0 0 "[ . 1 . 2]" 1
232 1 86 ALA HA 1 89 GLU HG2 1.800 . 5.000 4.779 4.343 4.996 . 0 0 "[ . 1 . 2]" 1
233 1 98 ILE HA 1 101 VAL MG2 1.800 . 4.000 3.197 2.697 3.799 . 0 0 "[ . 1 . 2]" 1
234 1 99 GLU HA 1 102 ILE MD 1.800 . 5.000 3.071 2.185 4.982 . 0 0 "[ . 1 . 2]" 1
235 1 99 GLU HA 1 102 ILE MG 1.800 . 5.000 4.370 4.054 4.894 . 0 0 "[ . 1 . 2]" 1
236 1 101 VAL HA 1 104 LEU MD1 1.800 . 5.000 2.746 2.198 3.335 . 0 0 "[ . 1 . 2]" 1
237 1 102 ILE HA 1 105 ILE MG 1.800 . 5.000 3.904 3.598 4.291 . 0 0 "[ . 1 . 2]" 1
238 1 102 ILE HA 1 105 ILE MD 1.800 . 5.000 2.607 2.055 4.478 . 0 0 "[ . 1 . 2]" 1
239 1 103 ASP HA 1 106 LEU MD1 1.800 . 5.000 2.608 2.177 3.482 . 0 0 "[ . 1 . 2]" 1
240 1 104 LEU HA 1 107 ARG QG 1.800 . 5.000 4.316 3.603 4.998 . 0 0 "[ . 1 . 2]" 1
241 1 52 ASN HA 1 53 PRO HD3 1.800 . 4.000 2.794 2.492 3.115 . 0 0 "[ . 1 . 2]" 1
242 1 52 ASN HA 1 53 PRO HD2 1.800 . 4.000 2.241 2.184 2.336 . 0 0 "[ . 1 . 2]" 1
243 1 69 THR HA 1 70 PRO HD3 1.800 . 4.000 2.222 2.190 2.299 . 0 0 "[ . 1 . 2]" 1
244 1 69 THR HA 1 70 PRO HD2 1.800 . 4.000 2.502 2.390 2.837 . 0 0 "[ . 1 . 2]" 1
245 1 110 LYS HA 1 111 PRO HD3 1.800 . 4.000 2.831 2.200 3.288 . 0 0 "[ . 1 . 2]" 1
246 1 110 LYS HA 1 111 PRO HD2 1.800 . 4.000 2.336 2.194 2.486 . 0 0 "[ . 1 . 2]" 1
247 1 69 THR HG1 1 70 PRO QD 1.800 . 4.000 2.883 1.829 3.748 . 0 0 "[ . 1 . 2]" 1
248 1 26 LYS HA 1 40 ALA H 1.800 . 4.000 3.403 2.886 3.867 . 0 0 "[ . 1 . 2]" 1
249 1 27 TYR HA 1 110 LYS H 1.800 . 5.000 4.651 3.920 4.976 . 0 0 "[ . 1 . 2]" 1
250 1 28 PHE HA 1 38 VAL H 1.800 . 4.000 3.802 3.496 3.972 . 0 0 "[ . 1 . 2]" 1
251 1 30 LYS HA 1 36 LEU H 1.800 . 4.000 3.625 3.085 3.996 . 0 0 "[ . 1 . 2]" 1
252 1 31 GLY QA 1 34 THR H 1.800 . 5.000 3.928 3.214 4.818 . 0 0 "[ . 1 . 2]" 1
253 1 31 GLY H 1 35 ASP HA 1.800 . 4.000 2.481 1.996 2.932 . 0 0 "[ . 1 . 2]" 1
254 1 29 TYR H 1 37 ILE HA 1.800 . 5.000 3.379 2.967 3.778 . 0 0 "[ . 1 . 2]" 1
255 1 38 VAL HA 1 68 PHE H 1.800 . 5.000 3.597 2.929 4.078 . 0 0 "[ . 1 . 2]" 1
256 1 27 TYR H 1 39 PHE HA 1.800 . 4.000 3.627 3.127 3.931 . 0 0 "[ . 1 . 2]" 1
257 1 40 ALA HA 1 63 GLU H 1.800 . 4.000 3.757 3.174 3.993 . 0 0 "[ . 1 . 2]" 1
258 1 41 ALA H 1 61 VAL HA 1.800 . 4.000 3.688 3.209 3.991 . 0 0 "[ . 1 . 2]" 1
259 1 42 SER H 1 61 VAL HA 1.800 . 5.000 4.456 3.858 4.857 . 0 0 "[ . 1 . 2]" 1
260 1 41 ALA H 1 62 VAL HA 1.800 . 5.000 4.260 3.439 4.993 . 0 0 "[ . 1 . 2]" 1
261 1 68 PHE HA 1 83 ALA H 1.800 . 4.000 3.294 2.148 3.995 . 0 0 "[ . 1 . 2]" 1
262 1 37 ILE H 1 69 THR HA 1.800 . 4.000 3.369 2.892 3.894 . 0 0 "[ . 1 . 2]" 1
263 1 71 GLN H 1 80 LEU HA 1.800 . 5.000 4.033 2.328 5.001 0.001 6 0 "[ . 1 . 2]" 1
264 1 69 THR H 1 82 ALA HA 1.800 . 4.000 3.632 2.964 3.960 . 0 0 "[ . 1 . 2]" 1
265 1 32 GLU H 1 91 GLU HA 1.800 . 5.000 4.301 3.782 4.837 . 0 0 "[ . 1 . 2]" 1
266 1 25 THR H 1 40 ALA H 1.800 . 4.000 3.573 2.891 3.923 . 0 0 "[ . 1 . 2]" 1
267 1 27 TYR H 1 38 VAL H 1.800 . 4.000 3.305 2.705 3.867 . 0 0 "[ . 1 . 2]" 1
268 1 29 TYR H 1 36 LEU H 1.800 . 4.000 3.567 3.041 3.872 . 0 0 "[ . 1 . 2]" 1
269 1 42 SER H 1 45 LEU H 1.800 . 5.000 4.157 3.796 4.484 . 0 0 "[ . 1 . 2]" 1
270 1 37 ILE H 1 68 PHE H 1.800 . 4.000 3.343 2.746 3.672 . 0 0 "[ . 1 . 2]" 1
271 1 69 THR H 1 81 GLY H 1.800 . 4.000 2.945 2.032 3.887 . 0 0 "[ . 1 . 2]" 1
272 1 69 THR H 1 83 ALA H 1.800 . 5.000 4.431 3.442 4.933 . 0 0 "[ . 1 . 2]" 1
273 1 84 SER H 1 87 GLN H 1.800 . 4.000 3.537 2.974 3.998 . 0 0 "[ . 1 . 2]" 1
274 1 97 LYS H 1 100 GLU H 1.800 . 5.000 3.979 3.299 4.752 . 0 0 "[ . 1 . 2]" 1
275 1 26 LYS HA 1 39 PHE HA 1.800 . 4.000 2.836 2.252 3.386 . 0 0 "[ . 1 . 2]" 1
276 1 28 PHE HA 1 37 ILE HA 1.800 . 4.000 2.711 2.257 3.128 . 0 0 "[ . 1 . 2]" 1
277 1 30 LYS HA 1 35 ASP HA 1.800 . 4.000 2.739 2.453 3.116 . 0 0 "[ . 1 . 2]" 1
278 1 36 LEU HA 1 69 THR HA 1.800 . 4.000 3.245 2.555 3.759 . 0 0 "[ . 1 . 2]" 1
279 1 40 ALA HA 1 62 VAL HA 1.800 . 4.000 2.923 2.314 3.224 . 0 0 "[ . 1 . 2]" 1
280 1 68 PHE HA 1 82 ALA HA 1.800 . 4.000 2.598 2.205 3.124 . 0 0 "[ . 1 . 2]" 1
281 1 25 THR H 1 40 ALA MB 1.800 . 5.000 3.629 3.195 4.121 . 0 0 "[ . 1 . 2]" 1
282 1 27 TYR H 1 37 ILE MG 1.800 . 5.000 3.461 2.917 3.846 . 0 0 "[ . 1 . 2]" 1
283 1 35 ASP H 1 70 PRO QD 1.800 . 5.000 4.132 3.284 4.804 . 0 0 "[ . 1 . 2]" 1
284 1 37 ILE H 1 67 VAL MG1 1.800 . 5.000 2.937 2.192 3.603 . 0 0 "[ . 1 . 2]" 1
285 1 38 VAL H 1 105 ILE MG 1.800 . 5.000 4.541 4.121 4.889 . 0 0 "[ . 1 . 2]" 1
286 1 24 VAL MG1 1 40 ALA H 1.800 . 5.000 4.565 3.230 5.000 0.000 16 0 "[ . 1 . 2]" 1
287 1 25 THR MG 1 43 GLU H 1.800 . 5.000 3.870 3.020 4.693 . 0 0 "[ . 1 . 2]" 1
288 1 49 TYR H 1 57 LYS QG 1.800 . 5.000 4.844 4.453 4.996 . 0 0 "[ . 1 . 2]" 1
289 1 49 TYR H 1 57 LYS QE 1.800 . 5.000 3.832 2.782 4.867 . 0 0 "[ . 1 . 2]" 1
290 1 54 SER H 1 57 LYS QB 1.800 . 5.000 4.415 3.340 4.973 . 0 0 "[ . 1 . 2]" 1
291 1 66 GLU H 1 98 ILE MD 1.800 . 5.000 4.751 3.984 4.998 . 0 0 "[ . 1 . 2]" 1
292 1 66 GLU H 1 102 ILE MD 1.800 . 5.000 3.786 3.289 4.907 . 0 0 "[ . 1 . 2]" 1
293 1 37 ILE HB 1 68 PHE H 1.800 . 5.000 3.873 3.150 4.539 . 0 0 "[ . 1 . 2]" 1
294 1 69 THR H 1 80 LEU QB 1.800 . 5.000 3.428 2.961 4.961 . 0 0 "[ . 1 . 2]" 1
295 1 69 THR H 1 80 LEU MD1 1.800 . 5.000 4.608 4.164 4.970 . 0 0 "[ . 1 . 2]" 1
296 1 69 THR H 1 80 LEU MD2 1.800 . 5.000 4.038 2.498 4.988 . 0 0 "[ . 1 . 2]" 1
297 1 71 GLN H 1 80 LEU MD2 1.800 . 5.000 3.873 2.128 4.987 . 0 0 "[ . 1 . 2]" 1
298 1 69 THR MG 1 81 GLY H 1.800 . 5.000 4.039 3.180 4.781 . 0 0 "[ . 1 . 2]" 1
299 1 36 LEU MD1 1 88 VAL H 1.800 . 5.000 4.743 4.438 4.999 . 0 0 "[ . 1 . 2]" 1
300 1 36 LEU MD1 1 91 GLU H 1.800 . 5.000 4.830 4.606 4.978 . 0 0 "[ . 1 . 2]" 1
301 1 96 LYS H 1 101 VAL MG2 1.800 . 5.000 4.524 3.086 4.996 . 0 0 "[ . 1 . 2]" 1
302 1 58 LEU MD2 1 103 ASP H 1.800 . 5.000 3.989 3.371 4.662 . 0 0 "[ . 1 . 2]" 1
303 1 28 PHE HB3 1 110 LYS H 1.800 . 5.000 4.801 4.450 4.993 . 0 0 "[ . 1 . 2]" 1
304 1 28 PHE HB2 1 110 LYS H 1.800 . 5.000 4.054 3.200 4.768 . 0 0 "[ . 1 . 2]" 1
305 1 26 LYS HA 1 37 ILE MG 1.800 . 5.000 4.045 3.696 4.402 . 0 0 "[ . 1 . 2]" 1
306 1 28 PHE HA 1 37 ILE HG13 1.800 . 5.000 4.151 3.151 4.891 . 0 0 "[ . 1 . 2]" 1
307 1 28 PHE HA 1 37 ILE HG12 1.800 . 5.000 2.986 2.440 3.527 . 0 0 "[ . 1 . 2]" 1
308 1 28 PHE HA 1 37 ILE MG 1.800 . 5.000 2.987 2.474 3.652 . 0 0 "[ . 1 . 2]" 1
309 1 28 PHE HA 1 37 ILE MD 1.800 . 5.000 4.421 3.784 4.882 . 0 0 "[ . 1 . 2]" 1
310 1 29 TYR HA 1 105 ILE MG 1.800 . 5.000 4.153 3.774 4.678 . 0 0 "[ . 1 . 2]" 1
311 1 37 ILE MG 1 38 VAL HA 1.800 . 5.000 3.712 3.426 4.161 . 0 0 "[ . 1 . 2]" 1
312 1 40 ALA HA 1 61 VAL MG1 1.800 . 5.000 3.429 2.979 3.838 . 0 0 "[ . 1 . 2]" 1
313 1 40 ALA HA 1 62 VAL MG1 1.800 . 5.000 4.162 3.315 4.682 . 0 0 "[ . 1 . 2]" 1
314 1 40 ALA HA 1 62 VAL MG2 1.800 . 5.000 3.874 2.846 4.392 . 0 0 "[ . 1 . 2]" 1
315 1 24 VAL MG1 1 41 ALA HA 1.800 . 5.000 2.952 2.249 3.682 . 0 0 "[ . 1 . 2]" 1
316 1 24 VAL MG2 1 41 ALA HA 1.800 . 5.000 4.757 4.250 4.999 . 0 0 "[ . 1 . 2]" 1
317 1 46 VAL HA 1 61 VAL MG1 1.800 . 5.000 2.645 2.206 3.207 . 0 0 "[ . 1 . 2]" 1
318 1 46 VAL HA 1 61 VAL MG2 1.800 . 5.000 3.001 2.643 3.461 . 0 0 "[ . 1 . 2]" 1
319 1 49 TYR HA 1 57 LYS QG 1.800 . 5.000 3.857 3.359 4.305 . 0 0 "[ . 1 . 2]" 1
320 1 49 TYR HA 1 61 VAL MG2 1.800 . 5.000 4.380 4.073 4.779 . 0 0 "[ . 1 . 2]" 1
321 1 55 ILE MG 1 56 GLY QA 1.800 . 5.000 3.249 2.882 3.984 . 0 0 "[ . 1 . 2]" 1
322 1 41 ALA MB 1 61 VAL HA 1.800 . 5.000 2.719 2.161 3.248 . 0 0 "[ . 1 . 2]" 1
323 1 45 LEU MD1 1 61 VAL HA 1.800 . 5.000 3.429 2.629 4.177 . 0 0 "[ . 1 . 2]" 1
324 1 40 ALA MB 1 62 VAL HA 1.800 . 5.000 4.273 3.594 4.558 . 0 0 "[ . 1 . 2]" 1
325 1 62 VAL MG1 1 65 PHE HA 1.800 . 5.000 2.770 2.483 3.145 . 0 0 "[ . 1 . 2]" 1
326 1 65 PHE HA 1 102 ILE MD 1.800 . 5.000 3.081 2.500 4.071 . 0 0 "[ . 1 . 2]" 1
327 1 66 GLU HA 1 98 ILE MD 1.800 . 5.000 3.451 2.742 3.990 . 0 0 "[ . 1 . 2]" 1
328 1 38 VAL MG1 1 67 VAL HA 1.800 . 5.000 2.919 2.220 3.543 . 0 0 "[ . 1 . 2]" 1
329 1 68 PHE HA 1 82 ALA MB 1.800 . 5.000 4.031 3.378 4.560 . 0 0 "[ . 1 . 2]" 1
330 1 68 PHE HA 1 83 ALA MB 1.800 . 5.000 3.998 2.768 4.972 . 0 0 "[ . 1 . 2]" 1
331 1 37 ILE MD 1 69 THR HA 1.800 . 5.000 3.140 2.269 3.750 . 0 0 "[ . 1 . 2]" 1
332 1 37 ILE MD 1 76 ALA HA 1.800 . 5.000 4.628 3.843 4.990 . 0 0 "[ . 1 . 2]" 1
333 1 69 THR MG 1 83 ALA HA 1.800 . 5.000 2.693 2.169 3.146 . 0 0 "[ . 1 . 2]" 1
334 1 34 THR MG 1 87 GLN HA 1.800 . 5.000 4.616 3.456 4.987 . 0 0 "[ . 1 . 2]" 1
335 1 36 LEU MD1 1 88 VAL HA 1.800 . 5.000 2.957 2.538 3.394 . 0 0 "[ . 1 . 2]" 1
336 1 92 PHE HA 1 101 VAL MG2 1.800 . 5.000 4.888 4.553 5.004 0.004 17 0 "[ . 1 . 2]" 1
337 1 92 PHE HA 1 104 LEU MD1 1.800 . 5.000 4.579 3.726 4.997 . 0 0 "[ . 1 . 2]" 1
338 1 89 GLU HG3 1 94 LYS HA 1.800 . 5.000 3.993 2.215 4.905 . 0 0 "[ . 1 . 2]" 1
339 1 89 GLU HG2 1 94 LYS HA 1.800 . 5.000 3.166 2.292 4.770 . 0 0 "[ . 1 . 2]" 1
340 1 89 GLU QB 1 94 LYS HA 1.800 . 5.000 4.146 2.795 4.983 . 0 0 "[ . 1 . 2]" 1
341 1 55 ILE MD 1 99 GLU HA 1.800 . 5.000 4.629 3.927 4.993 . 0 0 "[ . 1 . 2]" 1
342 1 58 LEU MD2 1 99 GLU HA 1.800 . 5.000 3.033 2.367 3.572 . 0 0 "[ . 1 . 2]" 1
343 1 55 ILE MD 1 100 GLU HA 1.800 . 5.000 4.551 3.633 4.991 . 0 0 "[ . 1 . 2]" 1
344 1 38 VAL MG1 1 102 ILE HA 1.800 . 5.000 3.598 3.199 4.029 . 0 0 "[ . 1 . 2]" 1
345 1 38 VAL MG2 1 102 ILE HA 1.800 . 5.000 4.737 4.354 4.982 . 0 0 "[ . 1 . 2]" 1
346 1 67 VAL MG2 1 102 ILE HA 1.800 . 5.000 4.662 4.350 4.909 . 0 0 "[ . 1 . 2]" 1
347 1 46 VAL MG1 1 106 LEU HA 1.800 . 5.000 4.147 3.750 4.951 . 0 0 "[ . 1 . 2]" 1
348 1 50 LEU MD1 1 107 ARG HA 1.800 . 5.000 3.892 2.717 4.697 . 0 0 "[ . 1 . 2]" 1
349 1 50 LEU MD2 1 107 ARG HA 1.800 . 5.000 2.477 2.062 3.082 . 0 0 "[ . 1 . 2]" 1
350 1 24 VAL MG1 1 63 GLU QB 1.800 . 5.000 4.024 3.421 4.851 . 0 0 "[ . 1 . 2]" 1
351 1 24 VAL MG1 1 63 GLU QG 1.800 . 5.000 4.043 2.701 5.000 . 0 0 "[ . 1 . 2]" 1
352 1 25 THR HB 1 40 ALA MB 1.800 . 5.000 2.798 2.142 4.989 . 0 0 "[ . 1 . 2]" 1
353 1 25 THR MG 1 43 GLU QG 1.800 . 5.000 3.722 2.592 4.984 . 0 0 "[ . 1 . 2]" 1
354 1 26 LYS HG3 1 37 ILE MG 1.800 . 5.000 4.342 2.987 4.985 . 0 0 "[ . 1 . 2]" 1
355 1 26 LYS HG2 1 37 ILE MG 1.800 . 5.000 3.337 2.125 4.251 . 0 0 "[ . 1 . 2]" 1
356 1 26 LYS HD3 1 37 ILE MG 1.800 . 5.000 3.326 2.003 4.431 . 0 0 "[ . 1 . 2]" 1
357 1 26 LYS HD2 1 37 ILE MG 1.800 . 5.000 3.800 2.135 5.000 . 1 0 "[ . 1 . 2]" 1
358 1 26 LYS QE 1 37 ILE MG 1.800 . 5.000 3.866 2.109 5.000 . 0 0 "[ . 1 . 2]" 1
359 1 26 LYS QE 1 80 LEU MD1 1.800 . 5.000 4.097 2.667 4.947 . 0 0 "[ . 1 . 2]" 1
360 1 27 TYR HB3 1 38 VAL MG2 1.800 . 5.000 2.561 2.189 2.984 . 0 0 "[ . 1 . 2]" 1
361 1 27 TYR HB2 1 38 VAL MG2 1.800 . 5.000 2.313 2.105 2.645 . 0 0 "[ . 1 . 2]" 1
362 1 27 TYR HB3 1 105 ILE MG 1.800 . 5.000 3.414 2.824 3.869 . 0 0 "[ . 1 . 2]" 1
363 1 27 TYR HB2 1 105 ILE MG 1.800 . 5.000 4.201 3.714 4.580 . 0 0 "[ . 1 . 2]" 1
364 1 27 TYR HB3 1 106 LEU MD2 1.800 . 5.000 3.902 3.330 4.396 . 0 0 "[ . 1 . 2]" 1
365 1 27 TYR HB2 1 106 LEU MD2 1.800 . 5.000 3.689 2.992 4.136 . 0 0 "[ . 1 . 2]" 1
366 1 29 TYR HB3 1 105 ILE MG 1.800 . 5.000 3.265 2.774 3.925 . 0 0 "[ . 1 . 2]" 1
367 1 29 TYR HB2 1 105 ILE MG 1.800 . 5.000 2.327 1.987 2.906 . 0 0 "[ . 1 . 2]" 1
368 1 34 THR MG 1 36 LEU HG 1.800 . 5.000 3.191 2.414 4.480 . 0 0 "[ . 1 . 2]" 1
369 1 34 THR MG 1 36 LEU MD1 1.800 . 5.000 3.667 2.830 4.912 . 0 0 "[ . 1 . 2]" 1
370 1 34 THR MG 1 36 LEU MD2 1.800 . 5.000 3.051 2.345 4.037 . 0 0 "[ . 1 . 2]" 1
371 1 34 THR MG 1 69 THR HB 1.800 . 5.000 4.262 3.573 4.968 . 0 0 "[ . 1 . 2]" 1
372 1 34 THR MG 1 83 ALA MB 1.800 . 5.000 4.372 3.318 4.946 . 0 0 "[ . 1 . 2]" 1
373 1 34 THR MG 1 87 GLN HB3 1.800 . 5.000 4.131 2.623 5.000 . 0 0 "[ . 1 . 2]" 1
374 1 34 THR MG 1 87 GLN HB2 1.800 . 5.000 4.679 3.960 4.980 . 0 0 "[ . 1 . 2]" 1
375 1 34 THR MG 1 87 GLN QG 1.800 . 5.000 2.885 2.207 4.361 . 0 0 "[ . 1 . 2]" 1
376 1 34 THR MG 1 87 GLN HE21 1.800 . 5.000 3.695 1.936 4.992 . 0 0 "[ . 1 . 2]" 1
377 1 34 THR MG 1 87 GLN HE22 1.800 . 5.000 3.602 1.908 4.635 . 0 0 "[ . 1 . 2]" 1
378 1 36 LEU HG 1 69 THR MG 1.800 . 5.000 4.632 4.014 4.996 . 0 0 "[ . 1 . 2]" 1
379 1 36 LEU MD2 1 69 THR HB 1.800 . 5.000 2.736 2.158 3.769 . 0 0 "[ . 1 . 2]" 1
380 1 36 LEU MD2 1 69 THR MG 1.800 . 5.000 2.461 2.007 2.976 . 0 0 "[ . 1 . 2]" 1
381 1 36 LEU MD2 1 83 ALA MB 1.800 . 5.000 2.370 1.944 2.902 . 0 0 "[ . 1 . 2]" 1
382 1 36 LEU MD1 1 88 VAL MG1 1.800 . 5.000 3.221 2.162 4.216 . 0 0 "[ . 1 . 2]" 1
383 1 36 LEU MD1 1 88 VAL MG2 1.800 . 5.000 2.979 2.149 3.469 . 0 0 "[ . 1 . 2]" 1
384 1 36 LEU MD1 1 91 GLU HB3 1.800 . 5.000 3.813 3.365 4.451 . 0 0 "[ . 1 . 2]" 1
385 1 36 LEU MD1 1 91 GLU HB2 1.800 . 5.000 3.379 2.993 3.818 . 0 0 "[ . 1 . 2]" 1
386 1 36 LEU MD1 1 91 GLU HG3 1.800 . 5.000 3.296 2.022 4.401 . 0 0 "[ . 1 . 2]" 1
387 1 36 LEU MD1 1 91 GLU HG2 1.800 . 5.000 3.338 2.104 4.654 . 0 0 "[ . 1 . 2]" 1
388 1 36 LEU MD1 1 105 ILE MD 1.800 . 5.000 3.473 3.021 4.234 . 0 0 "[ . 1 . 2]" 1
389 1 36 LEU QB 1 105 ILE MD 1.800 . 5.000 3.466 2.985 4.206 . 0 0 "[ . 1 . 2]" 1
390 1 37 ILE HB 1 68 PHE HB3 1.800 . 5.000 4.407 3.735 5.001 0.001 5 0 "[ . 1 . 2]" 1
391 1 37 ILE HB 1 68 PHE HB2 1.800 . 5.000 3.155 2.544 3.550 . 0 0 "[ . 1 . 2]" 1
392 1 37 ILE MG 1 68 PHE QB 1.800 . 5.000 3.828 3.170 4.358 . 0 0 "[ . 1 . 2]" 1
393 1 37 ILE MG 1 80 LEU MD1 1.800 . 5.000 4.018 2.976 4.544 . 0 0 "[ . 1 . 2]" 1
394 1 37 ILE MD 1 70 PRO HG3 1.800 . 5.000 3.435 2.606 3.897 . 0 0 "[ . 1 . 2]" 1
395 1 37 ILE MD 1 70 PRO HG2 1.800 . 5.000 4.622 3.988 4.996 . 0 0 "[ . 1 . 2]" 1
396 1 37 ILE MD 1 70 PRO HD3 1.800 . 5.000 2.482 2.146 3.076 . 0 0 "[ . 1 . 2]" 1
397 1 37 ILE MD 1 70 PRO HD2 1.800 . 5.000 3.938 3.596 4.519 . 0 0 "[ . 1 . 2]" 1
398 1 37 ILE MD 1 76 ALA MB 1.800 . 5.000 4.113 1.984 5.000 . 0 0 "[ . 1 . 2]" 1
399 1 37 ILE MD 1 80 LEU MD1 1.800 . 5.000 3.433 2.283 4.156 . 0 0 "[ . 1 . 2]" 1
400 1 37 ILE MD 1 80 LEU MD2 1.800 . 5.000 3.081 2.087 4.890 . 0 0 "[ . 1 . 2]" 1
401 1 38 VAL MG1 1 62 VAL MG1 1.800 . 5.000 4.395 3.765 5.000 0.000 16 0 "[ . 1 . 2]" 1
402 1 38 VAL MG1 1 102 ILE MG 1.800 . 5.000 3.232 2.451 4.255 . 0 0 "[ . 1 . 2]" 1
403 1 38 VAL MG2 1 102 ILE MG 1.800 . 5.000 3.827 3.452 4.309 . 0 0 "[ . 1 . 2]" 1
404 1 38 VAL MG1 1 102 ILE MD 1.800 . 5.000 3.602 2.307 4.586 . 0 0 "[ . 1 . 2]" 1
405 1 38 VAL MG1 1 105 ILE MG 1.800 . 5.000 2.819 2.276 3.396 . 0 0 "[ . 1 . 2]" 1
406 1 38 VAL MG2 1 105 ILE MG 1.800 . 5.000 2.162 1.903 2.535 . 0 0 "[ . 1 . 2]" 1
407 1 38 VAL MG1 1 105 ILE MD 1.800 . 5.000 2.576 1.948 4.071 . 0 0 "[ . 1 . 2]" 1
408 1 38 VAL MG2 1 105 ILE MD 1.800 . 5.000 3.238 2.480 4.344 . 0 0 "[ . 1 . 2]" 1
409 1 38 VAL MG1 1 106 LEU MD2 1.800 . 5.000 4.694 4.051 4.991 . 0 0 "[ . 1 . 2]" 1
410 1 38 VAL MG2 1 106 LEU MD2 1.800 . 5.000 3.377 2.514 3.919 . 0 0 "[ . 1 . 2]" 1
411 1 38 VAL HB 1 105 ILE MG 1.800 . 5.000 4.162 3.896 4.644 . 0 0 "[ . 1 . 2]" 1
412 1 40 ALA MB 1 106 LEU MD2 1.800 . 5.000 3.333 2.939 3.842 . 0 0 "[ . 1 . 2]" 1
413 1 40 ALA MB 1 46 VAL MG2 1.800 . 5.000 2.514 2.088 2.884 . 0 0 "[ . 1 . 2]" 1
414 1 41 ALA MB 1 45 LEU MD1 1.800 . 5.000 2.279 2.033 2.630 . 0 0 "[ . 1 . 2]" 1
415 1 41 ALA MB 1 45 LEU MD2 1.800 . 5.000 4.193 3.336 4.637 . 0 0 "[ . 1 . 2]" 1
416 1 41 ALA MB 1 46 VAL MG2 1.800 . 5.000 4.022 3.462 4.544 . 0 0 "[ . 1 . 2]" 1
417 1 41 ALA MB 1 61 VAL MG1 1.800 . 5.000 3.310 2.481 3.895 . 0 0 "[ . 1 . 2]" 1
418 1 42 SER QB 1 45 LEU MD1 1.800 . 5.000 2.736 2.164 3.449 . 0 0 "[ . 1 . 2]" 1
419 1 44 GLU QG 1 45 LEU HG 1.800 . 5.000 3.895 2.901 4.784 . 0 0 "[ . 1 . 2]" 1
420 1 45 LEU MD2 1 60 GLU QB 1.800 . 5.000 3.494 2.697 4.846 . 0 0 "[ . 1 . 2]" 1
421 1 45 LEU MD2 1 60 GLU QG 1.800 . 5.000 4.336 2.481 4.989 . 0 0 "[ . 1 . 2]" 1
422 1 46 VAL MG1 1 50 LEU MD1 1.800 . 5.000 2.725 2.151 3.285 . 0 0 "[ . 1 . 2]" 1
423 1 46 VAL MG2 1 61 VAL HB 1.800 . 5.000 4.541 3.999 4.997 . 0 0 "[ . 1 . 2]" 1
424 1 46 VAL MG1 1 106 LEU MD1 1.800 . 5.000 3.749 2.828 4.755 . 0 0 "[ . 1 . 2]" 1
425 1 46 VAL MG2 1 106 LEU MD1 1.800 . 5.000 3.936 3.091 4.879 . 0 0 "[ . 1 . 2]" 1
426 1 46 VAL MG1 1 106 LEU MD2 1.800 . 5.000 2.602 1.907 3.408 . 0 0 "[ . 1 . 2]" 1
427 1 46 VAL MG2 1 106 LEU MD2 1.800 . 5.000 2.820 2.161 3.465 . 0 0 "[ . 1 . 2]" 1
428 1 49 TYR HB3 1 61 VAL MG1 1.800 . 5.000 4.057 3.549 4.531 . 0 0 "[ . 1 . 2]" 1
429 1 49 TYR HB2 1 61 VAL MG1 1.800 . 5.000 3.877 3.207 4.481 . 0 0 "[ . 1 . 2]" 1
430 1 49 TYR HB3 1 61 VAL MG2 1.800 . 5.000 3.464 2.604 4.034 . 0 0 "[ . 1 . 2]" 1
431 1 49 TYR HB2 1 61 VAL MG2 1.800 . 5.000 2.482 2.196 2.862 . 0 0 "[ . 1 . 2]" 1
432 1 50 LEU MD2 1 107 ARG HB3 1.800 . 5.000 4.748 4.307 4.971 . 0 0 "[ . 1 . 2]" 1
433 1 50 LEU MD2 1 107 ARG HB2 1.800 . 5.000 4.211 3.410 4.999 . 0 0 "[ . 1 . 2]" 1
434 1 50 LEU MD2 1 107 ARG QG 1.800 . 5.000 3.205 2.149 4.046 . 0 0 "[ . 1 . 2]" 1
435 1 55 ILE MD 1 58 LEU MD1 1.800 . 5.000 4.143 2.706 4.961 . 0 0 "[ . 1 . 2]" 1
436 1 55 ILE MD 1 58 LEU MD2 1.800 . 5.000 3.075 2.572 3.703 . 0 0 "[ . 1 . 2]" 1
437 1 55 ILE MD 1 99 GLU QB 1.800 . 5.000 2.608 2.134 3.709 . 0 0 "[ . 1 . 2]" 1
438 1 55 ILE MD 1 99 GLU QG 1.800 . 5.000 3.587 2.402 4.386 . 0 0 "[ . 1 . 2]" 1
439 1 58 LEU HG 1 62 VAL MG2 1.800 . 5.000 2.498 2.028 3.220 . 0 0 "[ . 1 . 2]" 1
440 1 58 LEU MD1 1 61 VAL MG2 1.800 . 5.000 3.701 3.170 4.314 . 0 0 "[ . 1 . 2]" 1
441 1 58 LEU MD1 1 62 VAL MG2 1.800 . 5.000 2.970 2.058 3.855 . 0 0 "[ . 1 . 2]" 1
442 1 58 LEU MD1 1 102 ILE MG 1.800 . 5.000 2.936 2.108 4.012 . 0 0 "[ . 1 . 2]" 1
443 1 58 LEU MD1 1 106 LEU MD1 1.800 . 5.000 2.359 2.032 3.166 . 0 0 "[ . 1 . 2]" 1
444 1 58 LEU MD2 1 99 GLU QB 1.800 . 5.000 2.962 2.137 3.940 . 0 0 "[ . 1 . 2]" 1
445 1 58 LEU MD2 1 99 GLU QG 1.800 . 5.000 3.666 1.969 4.989 . 0 0 "[ . 1 . 2]" 1
446 1 58 LEU MD2 1 102 ILE HB 1.800 . 5.000 3.086 2.664 3.693 . 0 0 "[ . 1 . 2]" 1
447 1 58 LEU MD2 1 102 ILE MG 1.800 . 5.000 2.879 2.276 3.652 . 0 0 "[ . 1 . 2]" 1
448 1 58 LEU MD2 1 102 ILE MD 1.800 . 5.000 3.495 2.651 4.985 . 0 0 "[ . 1 . 2]" 1
449 1 58 LEU MD2 1 103 ASP QB 1.800 . 5.000 3.719 2.842 4.315 . 0 0 "[ . 1 . 2]" 1
450 1 61 VAL MG1 1 106 LEU MD1 1.800 . 5.000 3.025 1.981 3.804 . 0 0 "[ . 1 . 2]" 1
451 1 61 VAL MG1 1 106 LEU MD2 1.800 . 5.000 3.059 2.161 3.955 . 0 0 "[ . 1 . 2]" 1
452 1 62 VAL MG1 1 102 ILE MG 1.800 . 5.000 3.030 2.463 3.755 . 0 0 "[ . 1 . 2]" 1
453 1 62 VAL MG1 1 102 ILE MD 1.800 . 5.000 2.883 2.122 3.979 . 0 0 "[ . 1 . 2]" 1
454 1 62 VAL MG2 1 102 ILE MD 1.800 . 5.000 3.169 2.340 4.585 . 0 0 "[ . 1 . 2]" 1
455 1 62 VAL MG2 1 106 LEU MD1 1.800 . 5.000 2.686 2.026 3.259 . 0 0 "[ . 1 . 2]" 1
456 1 65 PHE HB3 1 98 ILE MG 1.800 . 5.000 3.191 2.337 3.820 . 0 0 "[ . 1 . 2]" 1
457 1 65 PHE HB2 1 98 ILE MG 1.800 . 5.000 4.482 3.573 4.978 . 0 0 "[ . 1 . 2]" 1
458 1 65 PHE QB 1 102 ILE MD 1.800 . 5.000 3.750 3.155 4.955 . 0 0 "[ . 1 . 2]" 1
459 1 66 GLU HG3 1 82 ALA MB 1.800 . 5.000 4.359 3.551 4.845 . 0 0 "[ . 1 . 2]" 1
460 1 66 GLU HG2 1 82 ALA MB 1.800 . 5.000 4.126 3.344 5.000 . 0 0 "[ . 1 . 2]" 1
461 1 67 VAL MG1 1 83 ALA MB 1.800 . 5.000 2.852 2.285 3.571 . 0 0 "[ . 1 . 2]" 1
462 1 67 VAL MG2 1 83 ALA MB 1.800 . 5.000 4.072 3.420 4.896 . 0 0 "[ . 1 . 2]" 1
463 1 67 VAL MG2 1 98 ILE QG 1.800 . 5.000 3.767 3.073 4.589 . 0 0 "[ . 1 . 2]" 1
464 1 67 VAL MG2 1 98 ILE MD 1.800 . 5.000 2.485 2.045 3.182 . 0 0 "[ . 1 . 2]" 1
465 1 67 VAL MG2 1 102 ILE MD 1.800 . 5.000 3.517 2.148 4.433 . 0 0 "[ . 1 . 2]" 1
466 1 67 VAL MG2 1 102 ILE QG 1.800 . 5.000 3.361 2.827 4.350 . 0 0 "[ . 1 . 2]" 1
467 1 67 VAL HB 1 83 ALA MB 1.800 . 5.000 3.009 2.123 4.234 . 0 0 "[ . 1 . 2]" 1
468 1 67 VAL HB 1 88 VAL MG2 1.800 . 5.000 3.309 2.461 3.782 . 0 0 "[ . 1 . 2]" 1
469 1 67 VAL MG1 1 105 ILE MD 1.800 . 5.000 3.627 2.892 4.894 . 0 0 "[ . 1 . 2]" 1
470 1 68 PHE QB 1 80 LEU MD1 1.800 . 5.000 2.802 2.325 3.858 . 0 0 "[ . 1 . 2]" 1
471 1 69 THR HB 1 83 ALA MB 1.800 . 5.000 3.920 3.199 4.541 . 0 0 "[ . 1 . 2]" 1
472 1 69 THR MG 1 83 ALA MB 1.800 . 5.000 2.105 1.963 2.420 . 0 0 "[ . 1 . 2]" 1
473 1 83 ALA MB 1 87 GLN HB3 1.800 . 5.000 2.842 2.221 3.618 . 0 0 "[ . 1 . 2]" 1
474 1 83 ALA MB 1 87 GLN HB2 1.800 . 5.000 3.385 2.506 4.201 . 0 0 "[ . 1 . 2]" 1
475 1 83 ALA MB 1 87 GLN QG 1.800 . 5.000 3.528 2.513 4.477 . 0 0 "[ . 1 . 2]" 1
476 1 88 VAL HB 1 101 VAL MG1 1.800 . 5.000 4.704 4.273 4.995 . 0 0 "[ . 1 . 2]" 1
477 1 88 VAL HB 1 101 VAL MG2 1.800 . 5.000 4.652 4.189 4.993 . 0 0 "[ . 1 . 2]" 1
478 1 88 VAL MG1 1 98 ILE MD 1.800 . 5.000 3.704 2.967 4.596 . 0 0 "[ . 1 . 2]" 1
479 1 88 VAL MG1 1 101 VAL MG1 1.800 . 5.000 2.311 2.114 2.665 . 0 0 "[ . 1 . 2]" 1
480 1 88 VAL MG1 1 101 VAL MG2 1.800 . 5.000 2.652 2.051 3.467 . 0 0 "[ . 1 . 2]" 1
481 1 92 PHE HB3 1 104 LEU MD1 1.800 . 5.000 3.386 2.371 3.980 . 0 0 "[ . 1 . 2]" 1
482 1 92 PHE HB2 1 104 LEU MD1 1.800 . 5.000 3.975 2.008 4.998 . 0 0 "[ . 1 . 2]" 1
483 1 96 LYS QB 1 101 VAL MG2 1.800 . 5.000 2.733 2.042 3.528 . 0 0 "[ . 1 . 2]" 1
484 1 96 LYS QG 1 101 VAL MG2 1.800 . 5.000 4.119 3.690 4.859 . 0 0 "[ . 1 . 2]" 1
485 1 96 LYS QD 1 101 VAL MG2 1.800 . 5.000 3.511 2.717 4.978 . 0 0 "[ . 1 . 2]" 1
486 1 96 LYS QD 1 104 LEU MD1 1.800 . 5.000 3.244 2.113 4.840 . 0 0 "[ . 1 . 2]" 1
487 1 96 LYS QE 1 104 LEU MD1 1.800 . 5.000 3.648 2.208 4.862 . 0 0 "[ . 1 . 2]" 1
488 1 98 ILE MD 1 101 VAL HB 1.800 . 5.000 3.411 2.564 4.477 . 0 0 "[ . 1 . 2]" 1
489 1 98 ILE MD 1 101 VAL MG1 1.800 . 5.000 3.405 2.616 4.357 . 0 0 "[ . 1 . 2]" 1
490 1 98 ILE MD 1 101 VAL MG2 1.800 . 5.000 3.863 3.237 4.774 . 0 0 "[ . 1 . 2]" 1
491 1 98 ILE MG 1 102 ILE MD 1.800 . 5.000 3.210 2.169 4.921 . 0 0 "[ . 1 . 2]" 1
492 1 98 ILE QG 1 101 VAL MG1 1.800 . 5.000 4.103 3.365 4.978 . 0 0 "[ . 1 . 2]" 1
493 1 98 ILE HG13 1 102 ILE MD 1.800 . 5.000 2.769 2.039 4.768 . 0 0 "[ . 1 . 2]" 1
494 1 98 ILE HG12 1 102 ILE MD 1.800 . 5.000 3.270 2.370 4.775 . 0 0 "[ . 1 . 2]" 1
495 1 98 ILE MD 1 102 ILE MD 1.800 . 5.000 3.128 2.010 3.971 . 0 0 "[ . 1 . 2]" 1
496 1 101 VAL MG2 1 104 LEU MD1 1.800 . 5.000 3.616 3.166 4.053 . 0 0 "[ . 1 . 2]" 1
497 1 102 ILE MG 1 106 LEU HG 1.800 . 5.000 2.795 2.345 3.215 . 0 0 "[ . 1 . 2]" 1
498 1 102 ILE MG 1 106 LEU MD1 1.800 . 5.000 2.260 1.885 2.748 . 0 0 "[ . 1 . 2]" 1
499 1 105 ILE MG 1 106 LEU MD2 1.800 . 5.000 3.250 2.452 3.837 . 0 0 "[ . 1 . 2]" 1
500 1 105 ILE MG 1 106 LEU HA 1.800 . 5.000 3.247 2.811 3.674 . 0 0 "[ . 1 . 2]" 1
501 1 27 TYR QD 1 106 LEU HA 1.800 . 5.000 3.365 2.603 4.828 . 0 0 "[ . 1 . 2]" 1
502 1 27 TYR QE 1 106 LEU HA 1.800 . 5.000 3.877 2.437 4.922 . 0 0 "[ . 1 . 2]" 1
503 1 27 TYR QE 1 106 LEU MD2 1.800 . 5.000 3.566 2.729 4.268 . 0 0 "[ . 1 . 2]" 1
504 1 25 THR HB 1 27 TYR QE 1.800 . 5.000 3.886 2.624 4.984 . 0 0 "[ . 1 . 2]" 1
505 1 25 THR MG 1 27 TYR QE 1.800 . 5.000 2.974 2.023 4.561 . 0 0 "[ . 1 . 2]" 1
506 1 27 TYR QD 1 40 ALA MB 1.800 . 5.000 2.919 2.204 3.640 . 0 0 "[ . 1 . 2]" 1
507 1 27 TYR QE 1 40 ALA MB 1.800 . 5.000 3.612 2.665 4.516 . 0 0 "[ . 1 . 2]" 1
508 1 27 TYR QE 1 43 GLU HA 1.800 . 5.000 3.705 2.940 4.306 . 0 0 "[ . 1 . 2]" 1
509 1 27 TYR QE 1 46 VAL MG1 1.800 . 5.000 2.869 2.164 4.097 . 0 0 "[ . 1 . 2]" 1
510 1 27 TYR QE 1 46 VAL MG2 1.800 . 5.000 3.248 2.387 3.892 . 0 0 "[ . 1 . 2]" 1
511 1 28 PHE QD 1 37 ILE MD 1.800 . 5.000 3.562 2.368 4.439 . 0 0 "[ . 1 . 2]" 1
512 1 28 PHE QE 1 37 ILE MD 1.800 . 5.000 2.656 2.091 3.342 . 0 0 "[ . 1 . 2]" 1
513 1 29 TYR QD 1 92 PHE HZ 1.800 . 5.000 4.124 3.391 4.992 . 0 0 "[ . 1 . 2]" 1
514 1 29 TYR QE 1 92 PHE HZ 1.800 . 5.000 3.295 2.681 4.204 . 0 0 "[ . 1 . 2]" 1
515 1 29 TYR QD 1 30 LYS H 1.800 . 5.000 3.757 2.977 4.223 . 0 0 "[ . 1 . 2]" 1
516 1 29 TYR QE 1 31 GLY HA3 1.800 . 5.000 3.191 2.543 4.036 . 0 0 "[ . 1 . 2]" 1
517 1 29 TYR QE 1 31 GLY HA2 1.800 . 5.000 2.607 2.206 3.279 . 0 0 "[ . 1 . 2]" 1
518 1 29 TYR QE 1 32 GLU H 1.800 . 5.000 4.609 4.011 4.985 . 0 0 "[ . 1 . 2]" 1
519 1 29 TYR QD 1 36 LEU H 1.800 . 5.000 3.370 2.759 3.837 . 0 0 "[ . 1 . 2]" 1
520 1 29 TYR QD 1 36 LEU QB 1.800 . 5.000 2.682 2.204 3.135 . 0 0 "[ . 1 . 2]" 1
521 1 29 TYR QD 1 36 LEU MD1 1.800 . 5.000 2.943 2.315 3.469 . 0 0 "[ . 1 . 2]" 1
522 1 29 TYR QE 1 36 LEU MD1 1.800 . 5.000 3.516 2.588 4.066 . 0 0 "[ . 1 . 2]" 1
523 1 29 TYR QE 1 91 GLU HB3 1.800 . 5.000 3.798 2.831 4.630 . 0 0 "[ . 1 . 2]" 1
524 1 29 TYR QE 1 91 GLU HB2 1.800 . 5.000 4.724 4.129 4.999 . 0 0 "[ . 1 . 2]" 1
525 1 29 TYR QD 1 105 ILE HA 1.800 . 5.000 3.115 2.457 4.103 . 0 0 "[ . 1 . 2]" 1
526 1 29 TYR QD 1 105 ILE MG 1.800 . 5.000 2.786 2.186 3.636 . 0 0 "[ . 1 . 2]" 1
527 1 29 TYR QD 1 105 ILE MD 1.800 . 5.000 3.673 2.381 4.190 . 0 0 "[ . 1 . 2]" 1
528 1 29 TYR QD 1 108 ASN H 1.800 . 5.000 4.687 3.983 4.940 . 0 0 "[ . 1 . 2]" 1
529 1 29 TYR QE 1 108 ASN H 1.800 . 5.000 4.638 4.058 4.992 . 0 0 "[ . 1 . 2]" 1
530 1 29 TYR QD 1 109 GLY QA 1.800 . 5.000 3.597 2.018 4.890 . 0 0 "[ . 1 . 2]" 1
531 1 29 TYR QD 1 109 GLY H 1.800 . 5.000 3.422 2.664 4.687 . 0 0 "[ . 1 . 2]" 1
532 1 24 VAL MG1 1 39 PHE QD 1.800 . 5.000 4.092 2.414 4.569 . 0 0 "[ . 1 . 2]" 1
533 1 24 VAL MG2 1 39 PHE QD 1.800 . 5.000 3.176 2.284 4.897 . 0 0 "[ . 1 . 2]" 1
534 1 37 ILE MG 1 39 PHE QD 1.800 . 5.000 4.184 3.211 4.860 . 0 0 "[ . 1 . 2]" 1
535 1 37 ILE MG 1 39 PHE QE 1.800 . 5.000 4.138 3.192 4.902 . 0 0 "[ . 1 . 2]" 1
536 1 39 PHE QD 1 64 LEU MD2 1.800 . 5.000 4.128 3.572 4.618 . 0 0 "[ . 1 . 2]" 1
537 1 39 PHE QE 1 64 LEU MD2 1.800 . 5.000 4.534 3.921 4.984 . 0 0 "[ . 1 . 2]" 1
538 1 39 PHE QE 1 80 LEU MD1 1.800 . 5.000 3.610 2.792 4.898 . 0 0 "[ . 1 . 2]" 1
539 1 39 PHE HZ 1 80 LEU MD1 1.800 . 5.000 3.818 3.162 4.963 . 0 0 "[ . 1 . 2]" 1
540 1 46 VAL HA 1 49 TYR QD 1.800 . 5.000 4.531 3.832 4.976 . 0 0 "[ . 1 . 2]" 1
541 1 46 VAL MG1 1 49 TYR QD 1.800 . 5.000 4.227 3.500 4.857 . 0 0 "[ . 1 . 2]" 1
542 1 49 TYR QD 1 50 LEU HA 1.800 . 5.000 3.409 2.805 3.916 . 0 0 "[ . 1 . 2]" 1
543 1 49 TYR QD 1 50 LEU H 1.800 . 5.000 3.377 2.749 4.001 . 0 0 "[ . 1 . 2]" 1
544 1 49 TYR QD 1 50 LEU HG 1.800 . 5.000 3.395 2.391 4.099 . 0 0 "[ . 1 . 2]" 1
545 1 49 TYR QD 1 50 LEU MD2 1.800 . 5.000 3.222 2.295 4.102 . 0 0 "[ . 1 . 2]" 1
546 1 49 TYR QD 1 57 LYS H 1.800 . 5.000 4.617 3.899 4.995 . 0 0 "[ . 1 . 2]" 1
547 1 49 TYR QD 1 61 VAL MG1 1.800 . 5.000 4.470 3.807 4.968 . 0 0 "[ . 1 . 2]" 1
548 1 49 TYR QD 1 61 VAL MG2 1.800 . 5.000 3.327 2.354 4.179 . 0 0 "[ . 1 . 2]" 1
549 1 49 TYR QE 1 50 LEU MD2 1.800 . 5.000 4.144 3.116 4.996 . 0 0 "[ . 1 . 2]" 1
550 1 49 TYR QE 1 53 PRO HA 1.800 . 5.000 3.015 2.566 3.553 . 0 0 "[ . 1 . 2]" 1
551 1 49 TYR QE 1 53 PRO HB3 1.800 . 5.000 3.631 2.620 4.768 . 0 0 "[ . 1 . 2]" 1
552 1 49 TYR QE 1 53 PRO HB2 1.800 . 5.000 4.457 3.362 4.992 . 0 0 "[ . 1 . 2]" 1
553 1 49 TYR QE 1 54 SER H 1.800 . 5.000 2.296 1.848 3.464 . 0 0 "[ . 1 . 2]" 1
554 1 49 TYR QE 1 57 LYS QB 1.800 . 5.000 3.315 2.843 4.710 . 0 0 "[ . 1 . 2]" 1
555 1 49 TYR QE 1 57 LYS QD 1.800 . 5.000 4.714 3.506 4.994 . 0 0 "[ . 1 . 2]" 1
556 1 49 TYR QE 1 58 LEU HA 1.800 . 5.000 3.830 2.600 4.891 . 0 0 "[ . 1 . 2]" 1
557 1 49 TYR QE 1 58 LEU H 1.800 . 5.000 3.236 2.627 4.011 . 0 0 "[ . 1 . 2]" 1
558 1 49 TYR QE 1 58 LEU QB 1.800 . 5.000 3.070 2.523 3.884 . 0 0 "[ . 1 . 2]" 1
559 1 49 TYR QE 1 58 LEU MD1 1.800 . 5.000 2.722 2.218 3.096 . 0 0 "[ . 1 . 2]" 1
560 1 49 TYR QE 1 58 LEU MD2 1.800 . 5.000 4.363 3.608 4.844 . 0 0 "[ . 1 . 2]" 1
561 1 49 TYR QE 1 103 ASP HA 1.800 . 5.000 3.602 2.786 4.227 . 0 0 "[ . 1 . 2]" 1
562 1 49 TYR QD 1 106 LEU MD1 1.800 . 5.000 3.365 2.434 4.144 . 0 0 "[ . 1 . 2]" 1
563 1 49 TYR QD 1 106 LEU MD2 1.800 . 5.000 4.669 3.758 5.000 0.000 6 0 "[ . 1 . 2]" 1
564 1 58 LEU MD2 1 65 PHE QE 1.800 . 5.000 2.924 2.171 4.536 . 0 0 "[ . 1 . 2]" 1
565 1 58 LEU MD2 1 65 PHE HZ 1.800 . 5.000 3.404 2.152 4.792 . 0 0 "[ . 1 . 2]" 1
566 1 59 SER HA 1 65 PHE QE 1.800 . 5.000 2.870 2.204 3.507 . 0 0 "[ . 1 . 2]" 1
567 1 59 SER HA 1 65 PHE HZ 1.800 . 5.000 2.767 2.203 3.386 . 0 0 "[ . 1 . 2]" 1
568 1 59 SER QB 1 65 PHE HZ 1.800 . 5.000 3.585 2.746 4.578 . 0 0 "[ . 1 . 2]" 1
569 1 59 SER H 1 65 PHE HZ 1.800 . 5.000 4.286 3.536 4.956 . 0 0 "[ . 1 . 2]" 1
570 1 62 VAL MG2 1 65 PHE QD 1.800 . 5.000 4.339 3.422 4.952 . 0 0 "[ . 1 . 2]" 1
571 1 62 VAL H 1 65 PHE QE 1.800 . 5.000 4.641 3.941 4.976 . 0 0 "[ . 1 . 2]" 1
572 1 65 PHE QD 1 99 GLU HA 1.800 . 5.000 4.288 3.747 4.841 . 0 0 "[ . 1 . 2]" 1
573 1 65 PHE QE 1 99 GLU HA 1.800 . 5.000 3.917 2.830 4.927 . 0 0 "[ . 1 . 2]" 1
574 1 65 PHE QD 1 98 ILE MG 1.800 . 5.000 3.051 2.212 4.199 . 0 0 "[ . 1 . 2]" 1
575 1 65 PHE QD 1 102 ILE MD 1.800 . 5.000 3.089 2.030 4.291 . 0 0 "[ . 1 . 2]" 1
576 1 37 ILE MG 1 68 PHE QD 1.800 . 5.000 4.427 3.571 4.954 . 0 0 "[ . 1 . 2]" 1
577 1 64 LEU MD2 1 68 PHE QE 1.800 . 5.000 3.165 2.187 4.809 . 0 0 "[ . 1 . 2]" 1
578 1 64 LEU MD2 1 68 PHE HZ 1.800 . 5.000 2.994 2.313 4.481 . 0 0 "[ . 1 . 2]" 1
579 1 68 PHE QD 1 82 ALA HA 1.800 . 5.000 3.309 2.281 4.578 . 0 0 "[ . 1 . 2]" 1
580 1 68 PHE QD 1 82 ALA MB 1.800 . 5.000 3.757 3.177 4.981 . 0 0 "[ . 1 . 2]" 1
581 1 68 PHE QD 1 69 THR H 1.800 . 5.000 3.887 2.963 4.350 . 0 0 "[ . 1 . 2]" 1
582 1 36 LEU MD1 1 92 PHE QD 1.800 . 5.000 4.524 4.019 4.933 . 0 0 "[ . 1 . 2]" 1
583 1 36 LEU MD1 1 92 PHE QE 1.800 . 5.000 3.273 2.548 4.273 . 0 0 "[ . 1 . 2]" 1
584 1 88 VAL MG1 1 92 PHE QD 1.800 . 5.000 2.500 1.981 3.043 . 0 0 "[ . 1 . 2]" 1
585 1 92 PHE QD 1 101 VAL MG1 1.800 . 5.000 2.849 2.306 3.505 . 0 0 "[ . 1 . 2]" 1
586 1 92 PHE QE 1 101 VAL MG1 1.800 . 5.000 2.547 2.181 2.980 . 0 0 "[ . 1 . 2]" 1
587 1 92 PHE QD 1 101 VAL MG2 1.800 . 5.000 2.769 2.209 3.265 . 0 0 "[ . 1 . 2]" 1
588 1 92 PHE QD 1 104 LEU MD1 1.800 . 5.000 2.581 2.069 3.440 . 0 0 "[ . 1 . 2]" 1
589 1 92 PHE QE 1 104 LEU MD1 1.800 . 5.000 3.214 2.160 4.556 . 0 0 "[ . 1 . 2]" 1
590 1 92 PHE HZ 1 105 ILE MD 1.800 . 5.000 3.001 2.147 4.007 . 0 0 "[ . 1 . 2]" 1
591 1 92 PHE QE 1 105 ILE HA 1.800 . 5.000 4.411 3.434 5.000 . 0 0 "[ . 1 . 2]" 1
592 1 92 PHE HZ 1 105 ILE HA 1.800 . 5.000 4.133 3.172 4.663 . 0 0 "[ . 1 . 2]" 1
593 1 25 THR H 1 25 THR HB 1.800 . 3.200 2.860 2.396 3.172 . 0 0 "[ . 1 . 2]" 1
594 1 26 LYS HA 1 26 LYS HG3 1.800 . 3.200 2.744 2.208 3.199 . 0 0 "[ . 1 . 2]" 1
595 1 26 LYS HA 1 26 LYS HG2 1.800 . 3.200 2.538 2.213 2.943 . 0 0 "[ . 1 . 2]" 1
596 1 27 TYR H 1 27 TYR HB3 1.800 . 4.000 3.456 3.305 3.583 . 0 0 "[ . 1 . 2]" 1
597 1 27 TYR H 1 27 TYR HB2 1.800 . 3.200 2.305 2.174 2.487 . 0 0 "[ . 1 . 2]" 1
598 1 28 PHE H 1 28 PHE HB3 1.800 . 4.000 3.559 3.366 3.769 . 0 0 "[ . 1 . 2]" 1
599 1 28 PHE H 1 28 PHE HB2 1.800 . 4.000 2.322 2.120 2.617 . 0 0 "[ . 1 . 2]" 1
600 1 29 TYR H 1 29 TYR HB3 1.800 . 4.000 2.800 2.531 3.009 . 0 0 "[ . 1 . 2]" 1
601 1 29 TYR H 1 29 TYR HB2 1.800 . 4.000 3.341 3.120 3.560 . 0 0 "[ . 1 . 2]" 1
602 1 30 LYS H 1 30 LYS QG 1.800 . 5.000 3.984 3.785 4.065 . 0 0 "[ . 1 . 2]" 1
603 1 35 ASP H 1 35 ASP HB3 1.800 . 3.200 2.727 2.382 3.266 0.066 10 0 "[ . 1 . 2]" 1
604 1 35 ASP H 1 35 ASP HB2 1.800 . 3.200 2.917 2.502 3.270 0.070 10 0 "[ . 1 . 2]" 1
605 1 36 LEU HA 1 36 LEU MD2 1.800 . 3.200 2.197 2.033 2.421 . 0 0 "[ . 1 . 2]" 1
606 1 37 ILE H 1 37 ILE HB 1.800 . 3.200 2.723 2.486 2.995 . 0 0 "[ . 1 . 2]" 1
607 1 38 VAL HA 1 38 VAL HB 1.800 . 2.800 2.631 2.442 2.786 . 0 0 "[ . 1 . 2]" 1
608 1 38 VAL H 1 38 VAL HB 1.800 . 4.000 3.684 3.486 3.881 . 0 0 "[ . 1 . 2]" 1
609 1 38 VAL H 1 38 VAL MG2 1.800 . 3.200 1.984 1.812 2.198 . 0 0 "[ . 1 . 2]" 1
610 1 40 ALA H 1 40 ALA MB 1.800 . 4.200 2.643 2.480 2.851 . 0 0 "[ . 1 . 2]" 1
611 1 45 LEU HA 1 45 LEU HG 1.800 . 4.000 2.592 2.229 3.194 . 0 0 "[ . 1 . 2]" 1
612 1 45 LEU H 1 45 LEU HG 1.800 . 4.000 2.362 1.810 3.207 . 0 0 "[ . 1 . 2]" 1
613 1 45 LEU HA 1 45 LEU MD1 1.800 . 4.000 3.783 3.478 3.900 . 0 0 "[ . 1 . 2]" 1
614 1 45 LEU HA 1 45 LEU MD2 1.800 . 3.200 2.319 1.960 3.201 0.001 11 0 "[ . 1 . 2]" 1
615 1 46 VAL HA 1 46 VAL MG2 1.800 . 3.200 2.339 2.211 2.480 . 0 0 "[ . 1 . 2]" 1
616 1 46 VAL H 1 46 VAL MG2 1.800 . 3.200 2.183 1.891 2.726 . 0 0 "[ . 1 . 2]" 1
617 1 46 VAL H 1 46 VAL HB 1.800 . 3.200 2.501 2.259 2.693 . 0 0 "[ . 1 . 2]" 1
618 1 48 GLU H 1 48 GLU QG 1.800 . 3.200 2.942 2.495 3.201 0.001 7 0 "[ . 1 . 2]" 1
619 1 50 LEU H 1 50 LEU HG 1.800 . 4.000 2.261 1.800 2.977 . 0 0 "[ . 1 . 2]" 1
620 1 50 LEU HA 1 50 LEU MD1 1.800 . 4.000 3.792 3.713 3.890 . 0 0 "[ . 1 . 2]" 1
621 1 50 LEU H 1 50 LEU MD1 1.800 . 4.000 3.389 2.691 3.711 . 0 0 "[ . 1 . 2]" 1
622 1 50 LEU HA 1 50 LEU MD2 1.800 . 2.800 2.162 2.010 2.615 . 0 0 "[ . 1 . 2]" 1
623 1 50 LEU H 1 50 LEU MD2 1.800 . 4.000 3.486 2.636 3.995 . 0 0 "[ . 1 . 2]" 1
624 1 58 LEU HA 1 58 LEU MD1 1.800 . 3.200 2.253 2.082 2.522 . 0 0 "[ . 1 . 2]" 1
625 1 58 LEU H 1 58 LEU MD1 1.800 . 4.000 3.714 2.942 4.001 0.001 3 0 "[ . 1 . 2]" 1
626 1 58 LEU HA 1 58 LEU MD2 1.800 . 4.000 3.766 3.675 3.849 . 0 0 "[ . 1 . 2]" 1
627 1 58 LEU HB3 1 58 LEU MD2 1.800 . 2.800 2.188 2.115 2.259 . 0 0 "[ . 1 . 2]" 1
628 1 58 LEU HB2 1 58 LEU MD2 1.800 . 2.800 2.589 2.451 2.713 . 0 0 "[ . 1 . 2]" 1
629 1 60 GLU H 1 60 GLU QG 1.800 . 4.000 3.102 1.852 4.011 0.011 10 0 "[ . 1 . 2]" 1
630 1 61 VAL H 1 61 VAL MG2 1.800 . 2.800 2.232 1.809 2.644 . 0 0 "[ . 1 . 2]" 1
631 1 62 VAL H 1 62 VAL HB 1.800 . 2.800 2.560 2.403 2.798 . 0 0 "[ . 1 . 2]" 1
632 1 67 VAL H 1 67 VAL HB 1.800 . 3.200 2.664 2.415 2.934 . 0 0 "[ . 1 . 2]" 1
633 1 69 THR H 1 69 THR MG 1.800 . 3.200 2.231 1.977 2.691 . 0 0 "[ . 1 . 2]" 1
634 1 88 VAL H 1 88 VAL HB 1.800 . 2.800 2.603 2.277 2.788 . 0 0 "[ . 1 . 2]" 1
635 1 88 VAL H 1 88 VAL MG2 1.800 . 2.800 2.063 1.810 2.609 . 0 0 "[ . 1 . 2]" 1
636 1 94 LYS HA 1 94 LYS HG3 1.800 . 4.000 2.882 2.264 3.879 . 0 0 "[ . 1 . 2]" 1
637 1 94 LYS HA 1 94 LYS HG2 1.800 . 4.000 3.069 2.278 3.661 . 0 0 "[ . 1 . 2]" 1
638 1 98 ILE HA 1 98 ILE HB 1.800 . 2.800 2.551 2.468 2.764 . 0 0 "[ . 1 . 2]" 1
639 1 98 ILE HA 1 98 ILE MD 1.800 . 2.800 2.379 2.119 2.743 . 0 0 "[ . 1 . 2]" 1
640 1 101 VAL HA 1 101 VAL MG2 1.800 . 3.200 2.244 2.166 2.318 . 0 0 "[ . 1 . 2]" 1
641 1 101 VAL H 1 101 VAL MG2 1.800 . 4.200 2.385 2.133 2.662 . 0 0 "[ . 1 . 2]" 1
642 1 102 ILE HA 1 102 ILE MG 1.800 . 3.200 2.386 2.160 2.560 . 0 0 "[ . 1 . 2]" 1
643 1 104 LEU HA 1 104 LEU MD2 1.800 . 2.800 2.193 2.018 2.638 . 0 0 "[ . 1 . 2]" 1
644 1 104 LEU H 1 104 LEU HG 1.800 . 3.200 2.200 1.800 2.859 . 0 0 "[ . 1 . 2]" 1
645 1 104 LEU H 1 104 LEU MD1 1.800 . 4.000 3.293 2.704 3.603 . 0 0 "[ . 1 . 2]" 1
646 1 104 LEU H 1 104 LEU MD2 1.800 . 4.000 3.483 2.095 3.999 . 0 0 "[ . 1 . 2]" 1
647 1 104 LEU HB3 1 104 LEU MD1 1.800 . 2.800 2.510 2.274 2.762 . 0 0 "[ . 1 . 2]" 1
648 1 104 LEU HB2 1 104 LEU MD1 1.800 . 2.800 2.250 2.129 2.422 . 0 0 "[ . 1 . 2]" 1
649 1 106 LEU HA 1 106 LEU MD1 1.800 . 4.000 3.822 3.755 3.899 . 0 0 "[ . 1 . 2]" 1
650 1 106 LEU HA 1 106 LEU MD2 1.800 . 2.800 2.172 2.014 2.423 . 0 0 "[ . 1 . 2]" 1
651 1 106 LEU H 1 106 LEU HG 1.800 . 4.000 2.178 1.802 2.805 . 0 0 "[ . 1 . 2]" 1
652 1 106 LEU HB3 1 106 LEU MD1 1.800 . 2.800 2.496 2.312 2.669 . 0 0 "[ . 1 . 2]" 1
653 1 106 LEU HB2 1 106 LEU MD1 1.800 . 2.800 2.258 2.155 2.409 . 0 0 "[ . 1 . 2]" 1
654 1 35 ASP H 1 36 LEU MD2 1.800 . 5.000 4.608 4.139 4.986 . 0 0 "[ . 1 . 2]" 1
655 1 42 SER H 1 45 LEU MD1 1.800 . 5.000 2.982 2.302 3.702 . 0 0 "[ . 1 . 2]" 1
656 1 42 SER H 1 45 LEU QB 1.800 . 5.000 3.014 2.528 3.431 . 0 0 "[ . 1 . 2]" 1
657 1 42 SER H 1 46 VAL MG2 1.800 . 5.000 3.384 2.746 4.133 . 0 0 "[ . 1 . 2]" 1
658 1 60 GLU H 1 61 VAL MG2 1.800 . 5.000 4.052 3.426 4.391 . 0 0 "[ . 1 . 2]" 1
659 1 58 LEU HG 1 62 VAL H 1.800 . 5.000 3.551 2.971 4.364 . 0 0 "[ . 1 . 2]" 1
660 1 58 LEU MD1 1 62 VAL H 1.800 . 5.000 4.290 3.510 4.996 . 0 0 "[ . 1 . 2]" 1
661 1 66 GLU H 1 67 VAL MG2 1.800 . 5.000 4.177 3.796 4.648 . 0 0 "[ . 1 . 2]" 1
662 1 84 SER H 1 87 GLN HB3 1.800 . 5.000 3.165 2.126 4.738 . 0 0 "[ . 1 . 2]" 1
663 1 84 SER H 1 87 GLN HB2 1.800 . 5.000 2.669 1.990 3.489 . 0 0 "[ . 1 . 2]" 1
664 1 97 LYS H 1 100 GLU QB 1.800 . 5.000 3.042 2.046 4.229 . 0 0 "[ . 1 . 2]" 1
665 1 102 ILE MG 1 103 ASP HA 1.800 . 4.000 3.442 3.020 3.976 . 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 50
_Distance_constraint_stats_list.Viol_count 7
_Distance_constraint_stats_list.Viol_total 0.469
_Distance_constraint_stats_list.Viol_max 0.006
_Distance_constraint_stats_list.Viol_rms 0.0003
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0033
_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 25 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 TYR 0.001 0.001 3 0 "[ . 1 . 2]"
1 29 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLY 0.005 0.003 10 0 "[ . 1 . 2]"
1 34 THR 0.005 0.003 10 0 "[ . 1 . 2]"
1 36 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 VAL 0.001 0.001 3 0 "[ . 1 . 2]"
1 40 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LEU 0.003 0.003 16 0 "[ . 1 . 2]"
1 46 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 TYR 0.003 0.003 16 0 "[ . 1 . 2]"
1 50 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 LYS 0.006 0.006 2 0 "[ . 1 . 2]"
1 88 VAL 0.006 0.006 17 0 "[ . 1 . 2]"
1 89 GLU 0.006 0.006 2 0 "[ . 1 . 2]"
1 92 PHE 0.006 0.006 17 0 "[ . 1 . 2]"
1 98 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ILE 0.002 0.002 13 0 "[ . 1 . 2]"
1 103 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 LEU 0.002 0.002 13 0 "[ . 1 . 2]"
1 107 ARG 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 27 TYR H 1 38 VAL O 1.800 . 2.500 2.310 2.067 2.501 0.001 3 0 "[ . 1 . 2]" 2
2 1 27 TYR N 1 38 VAL O 2.800 2.800 3.500 3.214 2.984 3.465 . 0 0 "[ . 1 . 2]" 2
3 1 29 TYR H 1 36 LEU O 1.800 . 2.500 2.300 1.995 2.497 . 0 0 "[ . 1 . 2]" 2
4 1 29 TYR N 1 36 LEU O 2.800 2.800 3.500 3.053 2.805 3.321 . 0 0 "[ . 1 . 2]" 2
5 1 31 GLY H 1 34 THR O 1.800 . 2.500 2.332 2.095 2.503 0.003 10 0 "[ . 1 . 2]" 2
6 1 31 GLY N 1 34 THR O 2.800 2.800 3.500 3.061 2.814 3.360 . 0 0 "[ . 1 . 2]" 2
7 1 29 TYR O 1 36 LEU H 1.800 . 2.500 2.207 1.944 2.488 . 0 0 "[ . 1 . 2]" 2
8 1 29 TYR O 1 36 LEU N 2.800 2.800 3.500 3.160 2.922 3.432 . 0 0 "[ . 1 . 2]" 2
9 1 37 ILE H 1 68 PHE O 1.800 . 2.500 2.097 1.838 2.448 . 0 0 "[ . 1 . 2]" 2
10 1 37 ILE N 1 68 PHE O 2.800 2.800 3.500 2.975 2.800 3.210 . 0 0 "[ . 1 . 2]" 2
11 1 27 TYR O 1 38 VAL H 1.800 . 2.500 2.268 1.877 2.486 . 0 0 "[ . 1 . 2]" 2
12 1 27 TYR O 1 38 VAL N 2.800 2.800 3.500 3.201 2.812 3.440 . 0 0 "[ . 1 . 2]" 2
13 1 25 THR O 1 40 ALA H 1.800 . 2.500 2.313 2.014 2.491 . 0 0 "[ . 1 . 2]" 2
14 1 25 THR O 1 40 ALA N 2.800 2.800 3.500 3.016 2.801 3.330 . 0 0 "[ . 1 . 2]" 2
15 1 42 SER O 1 46 VAL H 1.800 . 2.500 2.315 2.008 2.497 . 0 0 "[ . 1 . 2]" 2
16 1 42 SER O 1 46 VAL N 2.800 2.800 3.500 3.237 2.886 3.453 . 0 0 "[ . 1 . 2]" 2
17 1 43 GLU O 1 47 ASP H 1.800 . 2.500 2.044 1.845 2.443 . 0 0 "[ . 1 . 2]" 2
18 1 43 GLU O 1 47 ASP N 2.800 2.800 3.500 2.977 2.800 3.364 . 0 0 "[ . 1 . 2]" 2
19 1 44 GLU O 1 48 GLU H 1.800 . 2.500 2.208 1.944 2.419 . 0 0 "[ . 1 . 2]" 2
20 1 44 GLU O 1 48 GLU N 2.800 2.800 3.500 3.100 2.915 3.320 . 0 0 "[ . 1 . 2]" 2
21 1 45 LEU O 1 49 TYR H 1.800 . 2.500 2.111 1.894 2.359 . 0 0 "[ . 1 . 2]" 2
22 1 45 LEU O 1 49 TYR N 2.800 2.800 3.500 3.007 2.797 3.280 0.003 16 0 "[ . 1 . 2]" 2
23 1 46 VAL O 1 50 LEU H 1.800 . 2.500 2.245 2.024 2.438 . 0 0 "[ . 1 . 2]" 2
24 1 46 VAL O 1 50 LEU N 2.800 2.800 3.500 3.177 2.929 3.410 . 0 0 "[ . 1 . 2]" 2
25 1 57 LYS O 1 61 VAL H 1.800 . 2.500 2.314 2.096 2.500 . 0 0 "[ . 1 . 2]" 2
26 1 57 LYS O 1 61 VAL N 2.800 2.800 3.500 3.189 2.989 3.423 . 0 0 "[ . 1 . 2]" 2
27 1 58 LEU O 1 62 VAL H 1.800 . 2.500 2.076 1.867 2.415 . 0 0 "[ . 1 . 2]" 2
28 1 58 LEU O 1 62 VAL N 2.800 2.800 3.500 2.944 2.810 3.146 . 0 0 "[ . 1 . 2]" 2
29 1 37 ILE O 1 68 PHE H 1.800 . 2.500 2.294 2.014 2.470 . 0 0 "[ . 1 . 2]" 2
30 1 37 ILE O 1 68 PHE N 2.800 2.800 3.500 3.211 2.928 3.440 . 0 0 "[ . 1 . 2]" 2
31 1 69 THR H 1 81 GLY O 1.800 . 2.500 2.203 1.865 2.491 . 0 0 "[ . 1 . 2]" 2
32 1 69 THR N 1 81 GLY O 2.800 2.800 3.500 3.090 2.820 3.409 . 0 0 "[ . 1 . 2]" 2
33 1 84 SER O 1 88 VAL H 1.800 . 2.500 2.300 2.039 2.496 . 0 0 "[ . 1 . 2]" 2
34 1 84 SER O 1 88 VAL N 2.800 2.800 3.500 3.229 2.989 3.374 . 0 0 "[ . 1 . 2]" 2
35 1 85 LYS O 1 89 GLU H 1.800 . 2.500 2.153 1.871 2.477 . 0 0 "[ . 1 . 2]" 2
36 1 85 LYS O 1 89 GLU N 2.800 2.800 3.500 3.015 2.794 3.298 0.006 2 0 "[ . 1 . 2]" 2
37 1 88 VAL O 1 92 PHE H 1.800 . 2.500 2.205 1.953 2.493 . 0 0 "[ . 1 . 2]" 2
38 1 88 VAL O 1 92 PHE N 2.800 2.800 3.500 3.069 2.794 3.366 0.006 17 0 "[ . 1 . 2]" 2
39 1 98 ILE O 1 102 ILE H 1.800 . 2.500 2.204 2.022 2.481 . 0 0 "[ . 1 . 2]" 2
40 1 98 ILE O 1 102 ILE N 2.800 2.800 3.500 3.154 2.938 3.385 . 0 0 "[ . 1 . 2]" 2
41 1 99 GLU O 1 103 ASP H 1.800 . 2.500 2.281 1.898 2.499 . 0 0 "[ . 1 . 2]" 2
42 1 99 GLU O 1 103 ASP N 2.800 2.800 3.500 3.156 2.837 3.431 . 0 0 "[ . 1 . 2]" 2
43 1 100 GLU O 1 104 LEU H 1.800 . 2.500 2.228 1.923 2.498 . 0 0 "[ . 1 . 2]" 2
44 1 100 GLU O 1 104 LEU N 2.800 2.800 3.500 3.151 2.848 3.467 . 0 0 "[ . 1 . 2]" 2
45 1 101 VAL O 1 105 ILE H 1.800 . 2.500 2.324 2.021 2.496 . 0 0 "[ . 1 . 2]" 2
46 1 101 VAL O 1 105 ILE N 2.800 2.800 3.500 3.248 2.978 3.395 . 0 0 "[ . 1 . 2]" 2
47 1 102 ILE O 1 106 LEU H 1.800 . 2.500 2.125 1.941 2.364 . 0 0 "[ . 1 . 2]" 2
48 1 102 ILE O 1 106 LEU N 2.800 2.800 3.500 3.051 2.798 3.324 0.002 13 0 "[ . 1 . 2]" 2
49 1 103 ASP O 1 107 ARG H 1.800 . 2.500 2.233 1.958 2.447 . 0 0 "[ . 1 . 2]" 2
50 1 103 ASP O 1 107 ARG N 2.800 2.800 3.500 3.047 2.859 3.267 . 0 0 "[ . 1 . 2]" 2
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