NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
368969 |
1b22   |
4328 | cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1b22
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 393
_Distance_constraint_stats_list.Viol_count 483
_Distance_constraint_stats_list.Viol_total 1489.617
_Distance_constraint_stats_list.Viol_max 0.375
_Distance_constraint_stats_list.Viol_rms 0.0269
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.1028
_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 17 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 18 GLU 0.016 0.010 6 0 "[ . 1 . 2 . 3]"
1 19 SER 0.437 0.266 14 0 "[ . 1 . 2 . 3]"
1 20 PHE 0.421 0.266 14 0 "[ . 1 . 2 . 3]"
1 21 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 22 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 23 GLN 8.213 0.375 20 0 "[ . 1 . 2 . 3]"
1 24 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 25 ILE 1.049 0.120 5 0 "[ . 1 . 2 . 3]"
1 26 SER 7.046 0.375 20 0 "[ . 1 . 2 . 3]"
1 27 ARG 0.010 0.010 2 0 "[ . 1 . 2 . 3]"
1 28 LEU 0.025 0.017 4 0 "[ . 1 . 2 . 3]"
1 29 GLU 0.233 0.061 28 0 "[ . 1 . 2 . 3]"
1 30 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 31 CYS 0.010 0.010 2 0 "[ . 1 . 2 . 3]"
1 32 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 33 ILE 9.202 0.234 25 0 "[ . 1 . 2 . 3]"
1 34 ASN 9.202 0.234 25 0 "[ . 1 . 2 . 3]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 36 ASN 3.849 0.227 16 0 "[ . 1 . 2 . 3]"
1 37 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 38 VAL 0.446 0.081 22 0 "[ . 1 . 2 . 3]"
1 39 LYS 4.332 0.227 16 0 "[ . 1 . 2 . 3]"
1 40 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 41 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 42 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 43 GLU 0.136 0.108 30 0 "[ . 1 . 2 . 3]"
1 44 ALA 0.006 0.004 25 0 "[ . 1 . 2 . 3]"
1 45 GLY 0.003 0.003 22 0 "[ . 1 . 2 . 3]"
1 46 PHE 0.025 0.012 1 0 "[ . 1 . 2 . 3]"
1 47 HIS 2.197 0.159 10 0 "[ . 1 . 2 . 3]"
1 48 THR 1.397 0.159 10 0 "[ . 1 . 2 . 3]"
1 49 VAL 0.297 0.098 14 0 "[ . 1 . 2 . 3]"
1 50 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 51 ALA 1.167 0.165 26 0 "[ . 1 . 2 . 3]"
1 52 VAL 0.234 0.057 5 0 "[ . 1 . 2 . 3]"
1 54 TYR 0.009 0.009 2 0 "[ . 1 . 2 . 3]"
1 55 ALA 0.142 0.057 5 0 "[ . 1 . 2 . 3]"
1 56 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 57 LYS 0.368 0.095 18 0 "[ . 1 . 2 . 3]"
1 58 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 59 GLU 5.571 0.208 14 0 "[ . 1 . 2 . 3]"
1 60 LEU 0.138 0.039 18 0 "[ . 1 . 2 . 3]"
1 61 ILE 0.374 0.095 18 0 "[ . 1 . 2 . 3]"
1 62 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 63 ILE 17.340 0.314 10 0 "[ . 1 . 2 . 3]"
1 64 LYS 7.649 0.314 10 0 "[ . 1 . 2 . 3]"
1 65 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 66 ILE 6.563 0.278 2 0 "[ . 1 . 2 . 3]"
1 67 SER 3.700 0.278 20 0 "[ . 1 . 2 . 3]"
1 68 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 69 ALA 0.002 0.002 26 0 "[ . 1 . 2 . 3]"
1 70 LYS 0.155 0.078 30 0 "[ . 1 . 2 . 3]"
1 71 ALA 0.960 0.108 22 0 "[ . 1 . 2 . 3]"
1 72 ASP 0.577 0.068 28 0 "[ . 1 . 2 . 3]"
1 73 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 74 ILE 2.396 0.108 22 0 "[ . 1 . 2 . 3]"
1 75 LEU 0.123 0.066 28 0 "[ . 1 . 2 . 3]"
1 76 ALA 0.801 0.077 13 0 "[ . 1 . 2 . 3]"
1 77 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 78 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 79 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 80 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 81 LEU 0.005 0.005 24 0 "[ . 1 . 2 . 3]"
1 82 VAL 0.027 0.027 18 0 "[ . 1 . 2 . 3]"
1 83 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 84 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
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 18 GLU H 1 18 GLU HA 2.500 . 3.200 2.807 2.361 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 63 ILE HA 1 64 LYS H 2.500 . 3.200 3.455 3.292 3.514 0.314 10 0 "[ . 1 . 2 . 3]" 1
3 1 17 GLU H 1 17 GLU HA 2.500 . 3.200 2.832 2.364 3.003 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 39 LYS H 1 39 LYS QB 2.500 . 3.200 2.329 2.010 2.935 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 69 ALA H 1 69 ALA MB 2.500 . 3.700 1.983 1.922 2.164 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 44 ALA H 1 44 ALA MB 2.500 . 3.700 2.523 1.924 2.867 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 18 GLU HA 1 19 SER H 2.500 . 3.200 2.558 2.207 3.210 0.010 6 0 "[ . 1 . 2 . 3]" 1
8 1 66 ILE H 1 66 ILE HB 2.500 . 3.200 2.852 2.539 3.116 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 43 GLU H 1 43 GLU QB 2.500 . 3.200 2.275 1.920 2.965 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 58 LYS H 1 58 LYS QB 2.500 . 3.200 2.095 1.919 2.471 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 64 LYS H 1 64 LYS QB 2.500 . 3.200 2.076 1.941 2.477 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 66 ILE HA 1 67 SER H 2.500 . 3.200 3.051 2.932 3.478 0.278 20 0 "[ . 1 . 2 . 3]" 1
13 1 61 ILE H 1 62 ASN H 2.500 . 3.200 2.802 2.739 2.876 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 19 SER HA 1 20 PHE H 2.500 . 3.200 2.526 2.205 3.466 0.266 14 0 "[ . 1 . 2 . 3]" 1
15 1 56 PRO HA 1 57 LYS H 2.500 . 3.200 2.211 2.181 2.379 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 84 MET H 1 84 MET HA 2.500 . 3.200 2.847 2.362 3.002 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 45 GLY H 1 46 PHE H 2.500 . 3.200 2.126 1.835 2.483 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 27 ARG H 1 27 ARG QB 2.500 . 3.200 2.209 1.959 2.557 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 36 ASN QB 1 37 ASP H 2.500 . 3.200 2.040 1.813 2.662 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 66 ILE H 1 66 ILE QG 2.500 . 3.200 1.985 1.725 2.611 0.075 28 0 "[ . 1 . 2 . 3]" 1
21 1 45 GLY H 1 45 GLY QA 2.500 . 3.200 2.395 2.295 2.497 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 76 ALA H 1 76 ALA MB 2.500 . 3.700 2.077 1.933 2.208 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 33 ILE HA 1 34 ASN H 2.500 . 3.200 3.212 3.151 3.278 0.078 28 0 "[ . 1 . 2 . 3]" 1
24 1 42 GLU H 1 42 GLU QB 2.500 . 3.200 2.195 2.070 2.238 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 38 VAL HB 1 39 LYS H 2.500 . 3.200 2.047 1.850 2.300 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 43 GLU H 1 43 GLU HA 2.500 . 3.200 2.858 2.714 2.950 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 71 ALA H 1 71 ALA MB 2.500 . 3.700 2.034 1.939 2.160 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 59 GLU H 1 59 GLU QB 2.500 . 3.200 2.160 2.112 2.225 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 63 ILE H 1 63 ILE HB 2.500 . 3.200 2.404 2.051 3.480 0.280 14 0 "[ . 1 . 2 . 3]" 1
30 1 63 ILE H 1 63 ILE MD 2.500 . 3.700 3.039 2.684 3.152 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 39 LYS H 1 39 LYS HA 2.500 . 3.200 2.925 2.889 2.957 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 59 GLU H 1 60 LEU H 2.500 . 3.200 2.534 2.311 2.819 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 18 GLU H 1 18 GLU QB 2.500 . 3.200 2.515 2.009 2.910 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 38 VAL H 1 39 LYS H 2.500 . 3.200 3.127 2.782 3.281 0.081 22 0 "[ . 1 . 2 . 3]" 1
35 1 41 LEU H 1 41 LEU HG 2.500 . 3.200 2.646 2.050 3.017 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 28 LEU H 1 28 LEU QB 2.500 . 3.200 2.017 1.916 2.191 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 38 VAL H 1 38 VAL HB 3.000 . 3.800 2.548 2.332 2.691 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 40 LYS H 1 40 LYS QB 3.000 . 3.800 2.022 1.915 2.282 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 67 SER HA 1 68 GLU H 3.000 . 3.800 3.136 2.998 3.257 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 74 ILE H 1 74 ILE HB 3.000 . 3.800 2.238 1.964 3.599 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 37 ASP H 1 37 ASP HA 3.000 . 3.800 2.661 2.625 2.762 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 62 ASN H 1 62 ASN QB 3.000 . 3.800 2.040 1.939 2.173 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 57 LYS H 1 57 LYS QB 3.000 . 3.800 2.366 1.943 2.776 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 68 GLU H 1 68 GLU QB 3.000 . 3.800 2.062 1.918 2.289 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 68 GLU QB 1 69 ALA H 3.000 . 3.800 3.008 2.922 3.167 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 62 ASN H 1 63 ILE H 3.000 . 3.800 2.822 2.738 2.883 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 44 ALA H 1 45 GLY H 3.000 . 3.800 2.280 1.797 2.661 0.003 22 0 "[ . 1 . 2 . 3]" 1
48 1 38 VAL H 1 38 VAL QG 3.000 . 4.300 1.917 1.825 2.187 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 73 LYS H 1 73 LYS QB 3.000 . 3.800 2.178 2.123 2.220 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 60 LEU H 1 60 LEU HG 3.000 . 3.800 3.739 3.597 3.839 0.039 18 0 "[ . 1 . 2 . 3]" 1
51 1 71 ALA H 1 71 ALA HA 3.000 . 3.800 2.813 2.773 2.846 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 41 LEU H 1 41 LEU QB 3.000 . 3.800 2.211 2.046 2.547 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 72 ASP H 1 72 ASP QB 3.000 . 3.800 2.073 1.952 2.555 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 69 ALA H 1 70 LYS H 3.000 . 3.800 3.460 3.374 3.541 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 70 LYS H 1 71 ALA H 3.000 . 3.800 2.481 2.309 2.741 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 73 LYS QB 1 74 ILE H 3.000 . 3.800 2.782 2.683 2.960 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 37 ASP H 1 37 ASP QB 3.000 . 3.800 2.285 2.152 2.760 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 51 ALA H 1 51 ALA MB 3.000 . 4.300 2.006 1.901 2.162 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 66 ILE H 1 66 ILE MG 3.000 . 4.300 3.685 3.644 3.742 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 41 LEU H 1 41 LEU HA 3.000 . 3.800 2.929 2.875 2.955 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 52 VAL H 1 52 VAL QG 3.000 . 4.300 2.232 1.784 3.077 0.016 12 0 "[ . 1 . 2 . 3]" 1
62 1 43 GLU H 1 44 ALA H 3.000 . 3.800 2.765 2.329 3.687 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 17 GLU H 1 17 GLU QB 3.000 . 3.800 2.709 2.073 3.343 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 41 LEU H 1 42 GLU H 3.000 . 3.800 2.660 2.501 2.897 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 71 ALA H 1 72 ASP H 3.000 . 3.800 3.118 2.921 3.369 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 66 ILE H 1 66 ILE HA 3.000 . 3.800 2.942 2.922 2.978 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 46 PHE H 1 46 PHE QE 3.000 . 3.800 3.652 3.589 3.733 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 84 MET H 1 84 MET QB 3.000 . 3.800 2.564 1.953 3.140 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 70 LYS H 1 70 LYS QB 3.000 . 3.800 2.434 2.036 2.834 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 30 GLN H 1 30 GLN QB 3.000 . 3.800 2.122 1.987 2.229 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 22 PRO HA 1 23 GLN H 3.000 . 3.800 2.863 2.182 3.604 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 60 LEU H 1 60 LEU QB 3.000 . 3.800 1.931 1.888 1.971 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 40 LYS H 1 40 LYS HA 3.000 . 3.800 2.781 2.653 2.906 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 61 ILE H 1 61 ILE MG 3.000 . 4.300 2.005 1.794 2.170 0.006 28 0 "[ . 1 . 2 . 3]" 1
75 1 46 PHE H 1 46 PHE QB 3.000 . 3.800 2.564 2.382 2.774 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 69 ALA MB 1 70 LYS H 3.000 . 4.300 1.889 1.798 1.994 0.002 26 0 "[ . 1 . 2 . 3]" 1
77 1 78 ALA H 1 78 ALA MB 3.000 . 4.300 2.087 1.936 2.204 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 61 ILE H 1 61 ILE MD 3.000 . 4.300 3.566 3.488 3.609 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 70 LYS H 1 70 LYS HA 3.000 . 3.800 2.928 2.888 2.946 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 24 PRO HA 1 25 ILE H 3.000 . 3.800 2.623 2.533 2.701 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 72 ASP H 1 72 ASP HA 3.000 . 3.800 2.824 2.740 2.942 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 26 SER H 1 26 SER QB 3.000 . 3.800 2.314 1.984 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 63 ILE H 1 63 ILE HA 3.000 . 3.800 2.814 2.755 2.870 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 58 LYS H 1 58 LYS HA 3.000 . 3.800 2.886 2.793 2.943 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 39 LYS H 1 40 LYS H 3.000 . 3.800 2.703 2.457 2.941 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 43 GLU H 1 43 GLU QG 3.000 . 3.800 2.475 1.692 3.539 0.108 30 0 "[ . 1 . 2 . 3]" 1
87 1 72 ASP H 1 73 LYS H 3.000 . 3.800 2.848 2.330 3.140 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 50 GLU H 1 50 GLU QB 3.000 . 3.800 2.127 1.956 2.569 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 34 ASN HA 1 35 ALA H 3.000 . 3.800 3.016 2.810 3.342 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 44 ALA H 1 44 ALA HA 3.000 . 3.800 2.939 2.840 3.005 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 42 GLU H 1 42 GLU HA 3.000 . 3.800 2.897 2.806 2.943 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 36 ASN HA 1 39 LYS H 3.000 . 3.800 3.926 3.746 4.027 0.227 16 0 "[ . 1 . 2 . 3]" 1
93 1 62 ASN H 1 62 ASN HA 3.000 . 3.800 2.805 2.768 2.858 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 80 LYS H 1 80 LYS QB 3.000 . 3.800 2.276 2.015 2.820 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 40 LYS QB 1 41 LEU H 3.000 . 3.800 2.299 2.032 2.735 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 35 ALA H 1 35 ALA MB 3.000 . 4.300 2.040 1.925 2.178 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 25 ILE H 1 25 ILE HB 3.000 . 3.800 3.267 2.068 3.540 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 73 LYS H 1 73 LYS HA 3.000 . 3.800 2.787 2.753 2.867 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 55 ALA H 1 55 ALA MB 3.000 . 4.300 2.418 2.074 2.861 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 76 ALA H 1 76 ALA HA 3.000 . 3.800 2.937 2.895 2.956 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 38 VAL QG 1 39 LYS H 3.000 . 4.300 2.895 2.642 3.136 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 52 VAL H 1 52 VAL HB 3.000 . 3.800 3.138 2.518 3.831 0.031 22 0 "[ . 1 . 2 . 3]" 1
103 1 60 LEU H 1 61 ILE H 3.000 . 3.800 2.939 2.728 3.048 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 71 ALA MB 1 72 ASP H 3.000 . 4.300 2.182 1.894 2.625 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 40 LYS H 1 41 LEU H 3.000 . 3.800 3.115 2.718 3.407 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 66 ILE MD 1 67 SER H 3.000 . 4.300 3.591 2.936 3.739 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 61 ILE H 1 61 ILE QG 3.000 . 3.800 1.965 1.888 2.065 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 49 VAL H 1 49 VAL QG 3.000 . 4.300 2.116 1.702 2.861 0.098 14 0 "[ . 1 . 2 . 3]" 1
109 1 58 LYS QB 1 59 GLU H 3.000 . 3.800 2.904 2.580 3.474 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 69 ALA H 1 69 ALA HA 3.000 . 3.800 2.728 2.689 2.760 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 43 GLU QB 1 44 ALA H 3.000 . 3.800 3.010 1.796 3.515 0.004 25 0 "[ . 1 . 2 . 3]" 1
112 1 46 PHE HA 1 47 HIS H 3.000 . 3.800 3.163 2.748 3.346 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 73 LYS H 1 74 ILE H 3.000 . 3.800 2.847 2.675 2.934 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 64 LYS H 1 64 LYS HA 3.000 . 3.800 2.865 2.718 2.958 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 34 ASN H 1 34 ASN QB 3.000 . 3.800 2.204 1.952 2.613 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 59 GLU H 1 59 GLU HA 3.000 . 3.800 2.937 2.925 2.956 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 40 LYS H 1 40 LYS QG 3.000 . 3.800 3.136 2.561 3.503 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 65 GLY H 1 66 ILE H 3.000 . 3.800 2.010 1.817 3.043 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 67 SER H 1 67 SER QB 3.000 . 3.800 3.098 2.913 3.443 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 47 HIS H 1 48 THR H 3.000 . 3.800 3.808 3.618 3.959 0.159 10 0 "[ . 1 . 2 . 3]" 1
121 1 67 SER H 1 67 SER HA 3.000 . 3.800 2.812 2.386 2.867 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 79 ALA H 1 79 ALA MB 3.000 . 4.300 2.089 1.904 2.182 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 42 GLU H 1 42 GLU QG 4.000 . 5.500 3.930 2.912 4.072 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 70 LYS QB 1 71 ALA H 4.000 . 5.500 2.819 2.168 3.457 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 51 ALA H 1 52 VAL H 4.000 . 5.500 3.037 2.507 4.526 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 74 ILE H 1 75 LEU H 4.000 . 5.500 2.591 2.316 2.827 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 48 THR HA 1 49 VAL H 4.000 . 5.500 2.630 2.333 3.531 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 59 GLU HA 1 62 ASN H 4.000 . 5.500 3.447 3.252 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 25 ILE MG 1 26 SER H 4.000 . 6.000 3.928 3.537 4.269 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 33 ILE MG 1 34 ASN H 4.000 . 6.000 1.643 1.566 1.828 0.234 25 0 "[ . 1 . 2 . 3]" 1
131 1 58 LYS H 1 58 LYS QG 4.000 . 5.500 3.482 1.840 3.985 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 61 ILE H 1 61 ILE HB 4.000 . 5.500 3.522 3.491 3.541 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 29 GLU H 1 30 GLN H 4.000 . 5.500 2.549 2.438 2.896 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 72 ASP QB 1 73 LYS H 4.000 . 5.500 2.460 2.230 3.175 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 58 LYS H 1 59 GLU H 4.000 . 5.500 2.597 2.409 2.865 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 59 GLU H 1 59 GLU QG 4.000 . 5.500 3.853 2.840 4.027 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 29 GLU H 1 29 GLU QG 4.000 . 5.500 2.278 1.846 3.005 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 41 LEU H 1 41 LEU QD 4.000 . 6.000 2.927 2.596 3.275 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 70 LYS H 1 70 LYS QG 4.000 . 5.500 2.161 1.722 3.463 0.078 30 0 "[ . 1 . 2 . 3]" 1
140 1 76 ALA H 1 77 GLU H 4.000 . 5.500 2.594 2.417 2.796 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 25 ILE H 1 25 ILE MG 4.000 . 6.000 2.299 1.784 3.715 0.016 25 0 "[ . 1 . 2 . 3]" 1
142 1 45 GLY QA 1 46 PHE H 4.000 . 5.500 2.719 2.576 2.942 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 79 ALA MB 1 80 LYS H 4.000 . 6.000 2.874 2.659 3.026 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 48 THR H 1 48 THR MG 4.000 . 6.000 2.775 2.360 3.860 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 44 ALA MB 1 45 GLY H 4.000 . 6.000 2.245 1.835 2.698 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 33 ILE H 1 33 ILE HB 4.000 . 5.500 2.487 2.409 2.570 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 49 VAL H 1 49 VAL HB 4.000 . 5.500 2.938 2.096 3.864 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 44 ALA HA 1 45 GLY H 4.000 . 5.500 3.567 3.506 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 57 LYS H 1 58 LYS H 4.000 . 5.500 2.977 2.734 3.135 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 28 LEU H 1 29 GLU H 4.000 . 5.500 3.170 2.930 3.501 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 61 ILE HB 1 62 ASN H 4.000 . 5.500 3.784 3.677 3.915 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 77 GLU H 1 78 ALA H 4.000 . 5.500 2.602 2.399 2.746 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 28 LEU H 1 28 LEU QD 4.000 . 6.000 2.568 1.783 3.585 0.017 4 0 "[ . 1 . 2 . 3]" 1
154 1 50 GLU H 1 51 ALA H 4.000 . 5.500 2.910 2.302 3.042 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 75 LEU H 1 76 ALA H 4.000 . 5.500 2.723 2.389 2.924 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 60 LEU H 1 61 ILE QG 4.000 . 5.500 3.503 3.238 3.750 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 39 LYS H 1 39 LYS QG 4.000 . 5.500 2.623 1.763 3.426 0.037 4 0 "[ . 1 . 2 . 3]" 1
158 1 75 LEU QB 1 76 ALA H 4.000 . 5.500 3.026 2.818 3.658 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 63 ILE MD 1 64 LYS H 4.000 . 6.000 3.710 2.961 4.077 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 25 ILE H 1 48 THR HA 4.000 . 5.500 3.228 2.432 3.771 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 51 ALA MB 1 52 VAL H 4.000 . 6.000 2.950 1.928 3.736 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 59 GLU QB 1 60 LEU H 4.000 . 5.500 2.395 2.160 3.321 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 39 LYS HA 1 42 GLU H 4.000 . 5.500 3.833 3.364 4.443 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 48 THR HB 1 49 VAL H 4.000 . 5.500 3.467 1.866 4.656 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 74 ILE HB 1 75 LEU H 4.000 . 5.500 2.918 1.967 3.997 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 26 SER H 1 27 ARG H 4.000 . 5.500 3.263 2.916 3.555 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 44 ALA MB 1 46 PHE H 4.000 . 6.000 3.190 2.136 3.399 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 33 ILE H 1 33 ILE QG 4.000 . 5.500 4.004 3.937 4.077 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 18 GLU H 1 18 GLU QG 4.000 . 5.500 3.405 1.985 4.182 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 38 VAL HA 1 41 LEU H 4.000 . 5.500 5.222 4.744 5.478 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 60 LEU H 1 60 LEU QD 4.000 . 6.000 3.642 3.603 3.678 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 60 LEU QB 1 61 ILE H 4.000 . 5.500 2.657 2.433 2.847 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 57 LYS HA 1 60 LEU H 4.000 . 5.500 3.613 3.201 4.091 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 76 ALA MB 1 77 GLU H 4.000 . 6.000 2.231 1.984 2.461 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 65 GLY QA 1 66 ILE H 4.000 . 5.500 2.850 2.565 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 61 ILE MG 1 62 ASN H 4.000 . 6.000 3.865 3.792 3.934 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 74 ILE MG 1 75 LEU H 4.000 . 6.000 2.316 1.769 4.059 0.031 16 0 "[ . 1 . 2 . 3]" 1
178 1 44 ALA H 1 46 PHE H 4.000 . 5.500 4.182 3.177 4.567 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 49 VAL H 1 50 GLU H 4.000 . 5.500 2.973 2.035 3.706 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 73 LYS H 1 73 LYS QG 4.000 . 5.500 3.980 3.859 4.026 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 59 GLU HA 1 60 LEU H 4.000 . 5.500 3.576 3.540 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 80 LYS H 1 81 LEU H 4.000 . 5.500 2.293 2.000 2.778 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 18 GLU H 1 19 SER H 4.000 . 5.500 4.060 2.224 4.678 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 58 LYS QG 1 59 GLU H 4.000 . 5.500 3.990 1.818 4.674 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 82 VAL H 1 82 VAL QG 4.000 . 6.000 2.251 1.773 2.871 0.027 18 0 "[ . 1 . 2 . 3]" 1
186 1 49 VAL QG 1 50 GLU H 4.000 . 6.000 2.487 1.835 3.632 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 38 VAL HA 1 39 LYS H 4.000 . 5.500 3.603 3.580 3.633 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 62 ASN HA 1 63 ILE H 4.000 . 5.500 3.482 3.405 3.525 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 69 ALA HA 1 72 ASP H 4.000 . 5.500 5.140 4.863 5.396 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 57 LYS HA 1 58 LYS H 4.000 . 5.500 3.540 3.449 3.575 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 37 ASP QB 1 38 VAL H 4.000 . 5.500 2.031 1.836 2.547 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 17 GLU H 1 17 GLU QG 4.000 . 5.500 2.981 1.847 4.383 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 32 GLY H 1 33 ILE H 4.000 . 5.500 2.561 2.300 2.697 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 64 LYS H 1 64 LYS QD 4.000 . 5.500 4.072 2.691 4.598 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 47 HIS HA 1 48 THR H 4.000 . 5.500 2.573 2.422 2.742 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 61 ILE QG 1 62 ASN H 4.000 . 5.500 1.979 1.862 2.143 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 59 GLU HA 1 63 ILE H 4.000 . 5.500 5.570 5.419 5.649 0.149 21 0 "[ . 1 . 2 . 3]" 1
198 1 68 GLU H 1 69 ALA H 4.000 . 5.500 2.630 2.574 2.855 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 47 HIS QB 1 48 THR H 4.000 . 5.500 4.010 3.950 4.065 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 25 ILE H 1 26 SER H 3.000 . 3.800 2.743 2.395 3.541 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 78 ALA H 1 79 ALA H 4.000 . 5.500 2.658 2.378 2.912 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 61 ILE MD 1 62 ASN H 4.000 . 6.000 2.105 1.947 2.376 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 37 ASP HA 1 38 VAL H 4.000 . 5.500 3.548 3.517 3.574 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 19 SER QB 1 20 PHE H 4.000 . 5.500 3.201 1.851 4.080 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 41 LEU HG 1 42 GLU H 4.000 . 5.500 2.202 1.810 3.763 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 33 ILE H 1 33 ILE MD 4.000 . 6.000 4.064 3.854 4.288 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 77 GLU H 1 77 GLU QG 4.000 . 5.500 2.410 1.826 3.310 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 35 ALA HA 1 39 LYS H 4.000 . 5.500 4.560 4.025 4.840 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 36 ASN H 1 37 ASP H 4.000 . 5.500 3.225 2.908 3.479 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 21 GLY H 1 22 PRO QD 4.000 . 5.500 3.192 1.980 3.929 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 69 ALA HA 1 70 LYS H 4.000 . 5.500 3.533 3.509 3.567 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 73 LYS QG 1 74 ILE H 4.000 . 5.500 3.712 3.463 3.905 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 63 ILE H 1 66 ILE HB 4.000 . 5.500 5.705 5.643 5.778 0.278 2 0 "[ . 1 . 2 . 3]" 1
214 1 28 LEU QB 1 29 GLU H 4.000 . 5.500 2.036 1.837 2.189 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 81 LEU H 1 81 LEU QD 4.000 . 6.000 3.610 2.154 4.016 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 41 LEU QB 1 42 GLU H 4.000 . 5.500 3.556 1.857 3.739 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 41 LEU QD 1 42 GLU H 4.000 . 6.000 3.126 2.766 3.700 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 67 SER H 1 70 LYS H 4.000 . 5.500 3.174 2.822 4.637 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 70 LYS HA 1 73 LYS H 4.000 . 5.500 3.575 3.039 4.107 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 63 ILE H 1 64 LYS H 4.000 . 5.500 3.440 2.801 3.943 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 72 ASP HA 1 73 LYS H 4.000 . 5.500 3.578 3.512 3.603 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 75 LEU H 1 75 LEU QD 4.000 . 6.000 2.686 1.878 3.523 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 46 PHE H 1 47 HIS H 4.000 . 5.500 2.900 2.617 3.670 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 78 ALA MB 1 79 ALA H 4.000 . 6.000 2.389 2.005 2.674 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 68 GLU HA 1 69 ALA H 4.000 . 5.500 3.452 3.437 3.483 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 22 PRO QB 1 23 GLN H 4.000 . 5.500 2.959 1.818 3.994 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 64 LYS H 1 64 LYS QG 4.000 . 5.500 3.631 1.835 4.059 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 67 SER H 1 70 LYS QG 4.000 . 5.500 3.847 2.782 5.010 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 29 GLU HA 1 30 GLN H 4.000 . 5.500 3.556 3.498 3.600 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 82 VAL H 1 82 VAL HB 4.000 . 5.500 2.869 1.961 3.738 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 33 ILE H 1 33 ILE MG 4.000 . 6.000 2.186 1.909 2.361 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 23 GLN H 1 23 GLN QG 4.000 . 6.000 3.458 1.957 4.298 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 30 GLN QB 1 31 CYS H 4.000 . 6.000 2.828 2.551 3.418 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 58 LYS HA 1 59 GLU H 4.000 . 6.000 3.498 3.452 3.539 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 26 SER QB 1 27 ARG H 4.000 . 6.000 2.211 1.827 3.025 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 56 PRO QB 1 57 LYS H 4.000 . 6.000 3.437 2.779 3.732 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 84 MET H 1 84 MET QG 4.000 . 6.000 3.442 2.118 4.248 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 18 GLU QB 1 19 SER H 4.000 . 6.000 3.151 1.864 4.080 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 83 PRO QG 1 84 MET H 4.000 . 6.000 3.209 1.831 4.795 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 75 LEU HA 1 76 ALA H 4.000 . 6.000 3.474 3.431 3.521 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 66 ILE H 1 67 SER H 4.000 . 6.000 4.047 2.347 4.173 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 43 GLU QG 1 44 ALA H 4.000 . 6.000 3.470 1.927 4.260 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 43 GLU H 1 45 GLY H 4.000 . 6.000 4.360 3.823 5.285 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 24 PRO QB 1 25 ILE H 4.000 . 6.000 4.009 3.986 4.022 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 62 ASN H 1 63 ILE MD 4.000 . 6.500 4.643 4.266 4.889 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 26 SER HA 1 29 GLU H 4.000 . 6.000 4.804 4.067 5.394 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 63 ILE HB 1 64 LYS H 4.000 . 6.000 2.115 1.893 2.385 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 46 PHE H 1 46 PHE QD 4.000 . 6.000 1.893 1.788 2.294 0.012 1 0 "[ . 1 . 2 . 3]" 1
249 1 58 LYS HA 1 61 ILE H 4.000 . 6.000 4.205 4.042 4.352 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 51 ALA HA 1 52 VAL H 4.000 . 6.000 3.335 2.206 3.597 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 60 LEU H 1 62 ASN H 4.000 . 6.000 3.843 3.548 4.005 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 43 GLU H 1 44 ALA MB 4.000 . 6.500 4.440 3.779 5.074 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 68 GLU QG 1 69 ALA H 4.000 . 6.000 4.407 3.379 4.701 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 50 GLU HA 1 51 ALA H 4.000 . 6.000 3.498 3.280 3.541 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 34 ASN QB 1 35 ALA H 4.000 . 6.000 1.972 1.805 2.322 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 73 LYS HA 1 74 ILE H 4.000 . 6.000 3.526 3.493 3.555 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 62 ASN H 1 63 ILE HA 4.000 . 6.000 5.316 5.175 5.398 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 30 GLN HA 1 31 CYS H 4.000 . 6.000 3.536 3.448 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 40 LYS H 1 41 LEU QB 4.000 . 6.000 5.051 4.492 5.380 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 27 ARG HA 1 30 GLN H 4.000 . 6.000 4.205 3.633 4.675 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 31 CYS H 1 33 ILE H 4.000 . 6.000 4.498 4.357 4.860 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 37 ASP HA 1 41 LEU H 4.000 . 6.000 3.441 2.916 3.870 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 39 LYS HA 1 43 GLU H 4.000 . 6.000 3.521 2.787 4.176 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 20 PHE QB 1 21 GLY H 4.000 . 6.000 3.071 1.814 4.016 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 50 GLU H 1 50 GLU QG 4.000 . 6.000 3.114 1.890 3.946 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 32 GLY QA 1 33 ILE H 4.000 . 6.000 2.517 2.387 2.579 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 44 ALA H 1 45 GLY QA 4.000 . 6.000 3.820 3.585 4.484 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 39 LYS H 1 41 LEU H 4.000 . 6.000 4.615 4.034 4.885 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 24 PRO QG 1 25 ILE H 4.000 . 6.000 4.462 4.403 4.527 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 23 GLN HA 1 51 ALA H 4.000 . 6.000 5.926 4.589 6.165 0.165 26 0 "[ . 1 . 2 . 3]" 1
271 1 29 GLU QB 1 30 GLN H 4.000 . 6.000 3.504 3.307 3.635 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 64 LYS H 1 65 GLY H 4.000 . 6.000 2.629 2.364 2.965 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 18 GLU H 1 19 SER HA 4.000 . 6.000 5.214 4.567 5.939 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 69 ALA H 1 71 ALA H 4.000 . 6.000 4.377 4.047 4.606 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 25 ILE H 1 49 VAL H 4.000 . 6.000 3.401 1.996 4.214 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 57 LYS H 1 57 LYS QG 4.000 . 6.000 2.412 1.853 4.008 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 25 ILE HA 1 26 SER H 4.000 . 6.000 3.210 2.659 3.413 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 35 ALA MB 1 36 ASN H 4.000 . 6.500 2.813 2.450 3.005 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 40 LYS H 1 41 LEU QD 4.000 . 6.500 4.873 4.379 4.976 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 66 ILE QG 1 71 ALA H 4.000 . 6.000 5.463 5.389 5.529 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 25 ILE HB 1 26 SER H 4.000 . 6.000 4.124 3.098 4.493 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 77 GLU HA 1 80 LYS H 4.000 . 6.000 3.560 3.202 3.830 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 60 LEU HG 1 61 ILE H 4.000 . 6.000 1.855 1.805 1.943 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 70 LYS HA 1 74 ILE H 4.000 . 6.000 4.542 4.239 4.805 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 66 ILE QG 1 67 SER H 4.000 . 6.000 3.820 3.722 3.868 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 67 SER H 1 71 ALA H 4.000 . 6.000 3.872 3.614 4.753 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 40 LYS QG 1 41 LEU H 4.000 . 6.000 4.225 4.013 4.527 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 71 ALA H 1 73 LYS H 4.000 . 6.000 4.214 3.931 4.541 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 38 VAL HA 1 42 GLU H 4.000 . 6.000 4.291 3.667 4.714 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 64 LYS QB 1 65 GLY H 4.000 . 6.000 2.866 2.430 3.739 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 44 ALA MB 1 47 HIS H 4.000 . 6.500 5.491 5.393 5.603 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 49 VAL HA 1 50 GLU H 4.000 . 6.000 3.500 3.249 3.598 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 75 LEU QD 1 76 ALA H 4.000 . 6.500 3.963 2.720 4.302 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 63 ILE H 1 66 ILE H 4.000 . 6.000 4.396 4.110 4.635 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 48 THR HA 1 50 GLU H 4.000 . 6.000 4.241 3.980 5.440 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 35 ALA H 1 37 ASP H 4.000 . 6.000 5.218 4.454 5.632 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 74 ILE H 1 76 ALA H 4.000 . 6.000 3.694 3.507 3.864 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 25 ILE H 1 47 HIS HA 4.000 . 6.000 5.986 5.603 6.120 0.120 5 0 "[ . 1 . 2 . 3]" 1
299 1 29 GLU QG 1 31 CYS H 4.000 . 6.000 4.283 4.101 4.512 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 27 ARG HA 1 28 LEU H 4.000 . 6.000 3.517 3.442 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 47 HIS H 1 47 HIS HD2 4.000 . 6.000 3.473 1.856 4.475 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 72 ASP QB 1 74 ILE H 4.000 . 6.000 4.442 4.310 4.703 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 25 ILE H 1 25 ILE QG 4.000 . 6.000 2.215 1.845 3.427 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 25 ILE H 1 25 ILE MD 4.000 . 6.500 3.422 1.841 3.863 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 58 LYS HA 1 60 LEU H 4.000 . 6.000 4.899 4.512 5.326 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 67 SER H 1 68 GLU H 4.000 . 6.000 4.123 4.024 4.625 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 77 GLU HA 1 78 ALA H 4.000 . 6.000 3.532 3.442 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 50 GLU QG 1 51 ALA H 4.000 . 6.000 4.415 3.949 4.756 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 28 LEU HA 1 31 CYS H 4.000 . 6.000 4.385 3.731 4.695 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 81 LEU QB 1 82 VAL H 4.000 . 6.000 2.587 1.920 3.232 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 25 ILE MD 1 26 SER H 4.000 . 6.500 4.347 3.084 5.195 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 28 LEU HA 1 30 GLN H 4.000 . 6.000 4.814 4.364 5.207 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 79 ALA HA 1 80 LYS H 4.000 . 6.000 3.483 3.447 3.563 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 60 LEU H 1 63 ILE MD 4.000 . 6.500 5.067 4.369 5.586 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 66 ILE HB 1 67 SER H 4.000 . 6.000 1.857 1.777 1.956 0.023 29 0 "[ . 1 . 2 . 3]" 1
316 1 71 ALA H 1 72 ASP QB 4.000 . 6.000 4.663 4.474 5.066 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 27 ARG H 1 27 ARG QD 4.000 . 6.000 4.000 3.083 4.823 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 72 ASP HA 1 76 ALA H 4.000 . 6.000 4.229 3.634 4.565 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 52 VAL HA 1 55 ALA H 4.000 . 6.000 5.381 4.229 6.057 0.057 5 0 "[ . 1 . 2 . 3]" 1
320 1 48 THR MG 1 50 GLU H 4.000 . 6.500 2.778 1.812 4.976 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 37 ASP H 1 38 VAL HA 4.000 . 6.000 5.858 5.711 5.966 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 56 PRO QG 1 57 LYS H 4.000 . 6.000 4.703 4.336 4.775 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 54 TYR QB 1 55 ALA H 4.000 . 6.000 2.306 1.791 4.022 0.009 2 0 "[ . 1 . 2 . 3]" 1
324 1 67 SER HA 1 70 LYS H 4.000 . 6.000 5.486 5.243 5.664 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 39 LYS QE 1 40 LYS H 4.000 . 6.000 4.778 2.581 5.419 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 68 GLU H 1 69 ALA HA 4.000 . 6.000 5.144 5.066 5.341 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 23 GLN HA 1 26 SER H 4.000 . 6.000 6.235 6.084 6.375 0.375 20 0 "[ . 1 . 2 . 3]" 1
328 1 33 ILE HB 1 34 ASN H 4.000 . 6.000 3.394 3.372 3.419 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 80 LYS HA 1 81 LEU H 4.000 . 6.000 3.345 2.857 3.575 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 43 GLU QG 1 45 GLY H 4.000 . 6.000 4.945 3.079 5.439 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 31 CYS QB 1 33 ILE H 4.000 . 6.000 4.794 4.583 5.242 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 58 LYS H 1 60 LEU H 4.000 . 6.000 4.436 4.137 4.799 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 82 VAL H 1 83 PRO QD 4.000 . 6.000 2.675 1.815 3.399 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 74 ILE HA 1 75 LEU H 4.000 . 6.000 3.581 3.508 3.605 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 21 GLY H 1 22 PRO QG 4.000 . 6.000 4.944 3.643 5.467 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 34 ASN HA 1 34 ASN QD 4.000 . 6.000 2.989 1.805 4.445 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 83 PRO QD 1 84 MET H 4.000 . 6.000 3.559 2.434 5.015 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 46 PHE QB 1 47 HIS H 4.000 . 6.000 3.583 3.288 3.930 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 29 GLU H 1 48 THR H 4.000 . 6.000 5.919 5.461 6.061 0.061 28 0 "[ . 1 . 2 . 3]" 1
340 1 47 HIS H 1 48 THR MG 4.000 . 6.500 3.782 2.854 5.449 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 18 GLU QG 1 19 SER H 4.000 . 6.000 3.442 1.974 4.658 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 69 ALA H 1 72 ASP QB 4.000 . 6.000 4.346 4.172 4.803 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 77 GLU QG 1 78 ALA H 4.000 . 6.000 4.035 1.879 4.454 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 68 GLU H 1 70 LYS H 4.000 . 6.000 5.600 5.448 5.704 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 38 VAL H 1 40 LYS H 4.000 . 6.000 4.665 3.950 5.259 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 59 GLU H 1 67 SER HA 4.000 . 6.000 6.112 6.029 6.208 0.208 14 0 "[ . 1 . 2 . 3]" 1
347 1 26 SER H 1 48 THR HA 4.000 . 6.000 2.258 1.801 3.429 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 49 VAL H 1 51 ALA H 4.000 . 6.000 4.441 2.968 4.718 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 73 LYS H 1 74 ILE HA 4.000 . 6.000 5.472 5.317 5.539 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 70 LYS H 1 70 LYS QE 4.000 . 6.000 3.855 2.802 4.958 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 59 GLU QG 1 60 LEU H 4.000 . 6.000 3.112 1.938 3.862 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 35 ALA H 1 36 ASN H 4.000 . 6.000 2.701 2.262 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 25 ILE QG 1 26 SER H 4.000 . 6.000 3.197 2.345 4.761 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 60 LEU QD 1 61 ILE H 4.000 . 6.500 2.835 2.723 2.974 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 33 ILE QG 1 34 ASN H 4.000 . 6.000 1.829 1.700 1.931 0.100 25 0 "[ . 1 . 2 . 3]" 1
356 1 22 PRO QD 1 23 GLN H 4.000 . 6.000 3.926 1.901 5.024 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 28 LEU H 1 30 GLN H 4.000 . 6.000 3.910 3.602 4.490 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 64 LYS H 1 64 LYS QE 4.000 . 6.000 4.821 3.166 5.335 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 75 LEU HA 1 77 GLU H 4.000 . 6.000 5.003 4.710 5.293 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 57 LYS H 1 59 GLU H 4.000 . 6.000 4.336 4.232 4.464 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 64 LYS H 1 65 GLY QA 4.000 . 6.000 4.577 4.321 4.827 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 28 LEU H 1 29 GLU QG 4.000 . 6.000 4.483 3.780 5.277 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 40 LYS H 1 42 GLU H 4.000 . 6.000 4.255 3.598 5.355 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 39 LYS H 1 39 LYS QD 3.000 . 3.800 2.343 1.799 3.505 0.001 3 0 "[ . 1 . 2 . 3]" 1
365 1 46 PHE H 1 46 PHE HA 3.000 . 3.800 2.940 2.842 2.992 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 50 GLU QB 1 51 ALA H 3.000 . 3.800 2.927 2.721 3.394 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 31 CYS H 1 32 GLY H 3.000 . 3.800 2.450 2.310 2.772 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 27 ARG HA 1 31 CYS H 3.000 . 3.800 3.282 2.839 3.810 0.010 2 0 "[ . 1 . 2 . 3]" 1
369 1 57 LYS HA 1 61 ILE H 3.000 . 3.800 3.694 3.243 3.895 0.095 18 0 "[ . 1 . 2 . 3]" 1
370 1 71 ALA HA 1 74 ILE H 3.000 . 3.800 3.817 3.687 3.908 0.108 22 0 "[ . 1 . 2 . 3]" 1
371 1 72 ASP HA 1 74 ILE H 3.000 . 3.800 3.800 3.601 3.868 0.068 28 0 "[ . 1 . 2 . 3]" 1
372 1 74 ILE HA 1 76 ALA H 3.000 . 3.800 3.819 3.739 3.877 0.077 13 0 "[ . 1 . 2 . 3]" 1
373 1 76 ALA HA 1 77 GLU H 3.000 . 3.800 3.587 3.572 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 74 ILE HA 1 77 GLU H 3.000 . 3.800 3.487 3.072 3.784 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 79 ALA H 1 80 LYS H 3.000 . 3.800 2.616 2.382 2.839 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 60 LEU QD 1 63 ILE H 3.000 . 4.300 3.373 3.331 3.438 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 31 CYS QB 1 32 GLY H 3.000 . 3.800 3.106 2.971 3.446 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 33 ILE H 1 34 ASN H 3.000 . 3.800 3.919 3.848 3.971 0.171 29 0 "[ . 1 . 2 . 3]" 1
379 1 33 ILE MD 1 34 ASN H 3.000 . 4.300 3.401 2.297 3.584 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 81 LEU HA 1 81 LEU QD 3.000 . 4.300 2.342 1.795 3.027 0.005 24 0 "[ . 1 . 2 . 3]" 1
381 1 75 LEU HA 1 75 LEU QD 4.000 . 6.000 2.547 1.734 3.337 0.066 28 0 "[ . 1 . 2 . 3]" 1
382 1 60 LEU HA 1 60 LEU QD 4.000 . 6.000 2.493 2.370 2.644 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 41 LEU HA 1 41 LEU QD 4.000 . 6.000 3.143 1.868 3.334 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 33 ILE HA 1 33 ILE MD 4.000 . 6.000 2.712 1.813 3.815 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 27 ARG HA 1 27 ARG QD 4.000 . 5.500 3.665 2.075 4.495 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 76 ALA HA 1 79 ALA H 4.000 . 6.000 3.868 3.496 4.185 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 79 ALA HA 1 82 VAL H 4.000 . 6.000 4.417 3.838 5.031 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 31 CYS H 1 31 CYS HA 3.000 . 3.800 2.928 2.915 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 29 GLU H 1 29 GLU HA 3.000 . 3.800 2.921 2.791 2.957 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 29 GLU HA 1 33 ILE H 3.000 . 3.800 2.128 1.878 3.486 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 29 GLU HA 1 29 GLU QG 3.000 . 3.800 3.363 3.285 3.438 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 47 HIS HA 1 47 HIS HD2 4.000 . 5.500 4.474 3.817 5.157 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 20 PHE QB 1 20 PHE QE 4.000 . 6.000 3.978 3.962 4.016 . 0 0 "[ . 1 . 2 . 3]" 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 284
_Distance_constraint_stats_list.Viol_count 1073
_Distance_constraint_stats_list.Viol_total 2572.229
_Distance_constraint_stats_list.Viol_max 0.434
_Distance_constraint_stats_list.Viol_rms 0.0404
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0101
_Distance_constraint_stats_list.Viol_average_violations_only 0.0799
_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 18 GLU 0.207 0.049 4 0 "[ . 1 . 2 . 3]"
1 19 SER 0.011 0.011 4 0 "[ . 1 . 2 . 3]"
1 22 PRO 0.782 0.069 12 0 "[ . 1 . 2 . 3]"
1 23 GLN 0.088 0.049 10 0 "[ . 1 . 2 . 3]"
1 24 PRO 1.436 0.109 3 0 "[ . 1 . 2 . 3]"
1 25 ILE 7.058 0.183 22 0 "[ . 1 . 2 . 3]"
1 26 SER 0.722 0.104 18 0 "[ . 1 . 2 . 3]"
1 27 ARG 1.465 0.163 26 0 "[ . 1 . 2 . 3]"
1 28 LEU 2.183 0.166 27 0 "[ . 1 . 2 . 3]"
1 29 GLU 13.801 0.434 12 0 "[ . 1 . 2 . 3]"
1 30 GLN 4.227 0.255 16 0 "[ . 1 . 2 . 3]"
1 31 CYS 0.192 0.050 25 0 "[ . 1 . 2 . 3]"
1 32 GLY 0.433 0.061 27 0 "[ . 1 . 2 . 3]"
1 33 ILE 6.827 0.175 27 0 "[ . 1 . 2 . 3]"
1 34 ASN 11.742 0.434 12 0 "[ . 1 . 2 . 3]"
1 35 ALA 8.990 0.264 2 0 "[ . 1 . 2 . 3]"
1 36 ASN 3.434 0.255 16 0 "[ . 1 . 2 . 3]"
1 37 ASP 1.472 0.120 24 0 "[ . 1 . 2 . 3]"
1 38 VAL 3.612 0.158 5 0 "[ . 1 . 2 . 3]"
1 39 LYS 0.355 0.117 29 0 "[ . 1 . 2 . 3]"
1 40 LYS 13.671 0.290 21 0 "[ . 1 . 2 . 3]"
1 41 LEU 3.077 0.219 22 0 "[ . 1 . 2 . 3]"
1 42 GLU 7.036 0.348 29 0 "[ . 1 . 2 . 3]"
1 43 GLU 0.266 0.117 29 0 "[ . 1 . 2 . 3]"
1 44 ALA 2.242 0.182 25 0 "[ . 1 . 2 . 3]"
1 45 GLY 0.183 0.071 27 0 "[ . 1 . 2 . 3]"
1 46 PHE 7.575 0.348 29 0 "[ . 1 . 2 . 3]"
1 47 HIS 0.500 0.116 16 0 "[ . 1 . 2 . 3]"
1 48 THR 1.953 0.118 18 0 "[ . 1 . 2 . 3]"
1 49 VAL 3.889 0.183 22 0 "[ . 1 . 2 . 3]"
1 50 GLU 1.181 0.092 27 0 "[ . 1 . 2 . 3]"
1 51 ALA 0.169 0.034 24 0 "[ . 1 . 2 . 3]"
1 52 VAL 0.237 0.069 12 0 "[ . 1 . 2 . 3]"
1 54 TYR 0.006 0.006 11 0 "[ . 1 . 2 . 3]"
1 55 ALA 1.650 0.114 8 0 "[ . 1 . 2 . 3]"
1 56 PRO 1.359 0.114 23 0 "[ . 1 . 2 . 3]"
1 57 LYS 0.130 0.071 23 0 "[ . 1 . 2 . 3]"
1 58 LYS 1.502 0.114 23 0 "[ . 1 . 2 . 3]"
1 59 GLU 2.344 0.173 11 0 "[ . 1 . 2 . 3]"
1 60 LEU 6.803 0.179 14 0 "[ . 1 . 2 . 3]"
1 61 ILE 4.371 0.230 4 0 "[ . 1 . 2 . 3]"
1 62 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 63 ILE 6.864 0.219 22 0 "[ . 1 . 2 . 3]"
1 64 LYS 0.170 0.067 22 0 "[ . 1 . 2 . 3]"
1 65 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 66 ILE 12.423 0.399 10 0 "[ . 1 . 2 . 3]"
1 67 SER 0.025 0.014 22 0 "[ . 1 . 2 . 3]"
1 68 GLU 0.162 0.100 28 0 "[ . 1 . 2 . 3]"
1 69 ALA 8.415 0.399 10 0 "[ . 1 . 2 . 3]"
1 70 LYS 3.342 0.264 2 0 "[ . 1 . 2 . 3]"
1 71 ALA 0.010 0.010 22 0 "[ . 1 . 2 . 3]"
1 72 ASP 2.414 0.207 13 0 "[ . 1 . 2 . 3]"
1 73 LYS 0.242 0.037 13 0 "[ . 1 . 2 . 3]"
1 74 ILE 1.225 0.207 13 0 "[ . 1 . 2 . 3]"
1 75 LEU 0.828 0.094 21 0 "[ . 1 . 2 . 3]"
1 76 ALA 0.081 0.026 6 0 "[ . 1 . 2 . 3]"
1 77 GLU 0.310 0.114 19 0 "[ . 1 . 2 . 3]"
1 78 ALA 2.438 0.114 19 0 "[ . 1 . 2 . 3]"
1 79 ALA 0.125 0.042 10 0 "[ . 1 . 2 . 3]"
1 80 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 81 LEU 0.020 0.020 28 0 "[ . 1 . 2 . 3]"
1 82 VAL 0.450 0.070 5 0 "[ . 1 . 2 . 3]"
1 83 PRO 0.074 0.054 18 0 "[ . 1 . 2 . 3]"
1 84 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
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 48 THR H 1 51 ALA MB 3.000 . 4.300 4.000 3.280 4.334 0.034 24 0 "[ . 1 . 2 . 3]" 2
2 1 24 PRO QG 1 26 SER H 4.000 . 5.500 4.949 4.177 5.445 . 0 0 "[ . 1 . 2 . 3]" 2
3 1 46 PHE HA 1 48 THR H 4.000 . 5.500 4.053 3.743 4.321 . 0 0 "[ . 1 . 2 . 3]" 2
4 1 63 ILE H 1 66 ILE QG 4.000 . 5.500 5.241 3.928 5.558 0.058 20 0 "[ . 1 . 2 . 3]" 2
5 1 64 LYS HA 1 66 ILE H 4.000 . 5.500 5.161 4.927 5.564 0.064 28 0 "[ . 1 . 2 . 3]" 2
6 1 35 ALA HA 1 38 VAL H 4.000 . 5.500 4.095 3.846 4.427 . 0 0 "[ . 1 . 2 . 3]" 2
7 1 48 THR HB 1 50 GLU H 4.000 . 5.500 4.194 2.466 5.534 0.034 10 0 "[ . 1 . 2 . 3]" 2
8 1 56 PRO QB 1 58 LYS H 4.000 . 5.500 2.732 2.201 3.404 . 0 0 "[ . 1 . 2 . 3]" 2
9 1 63 ILE H 1 66 ILE MD 4.000 . 6.000 3.975 3.313 5.975 . 0 0 "[ . 1 . 2 . 3]" 2
10 1 59 GLU H 1 60 LEU HG 4.000 . 5.500 5.567 5.305 5.673 0.173 11 0 "[ . 1 . 2 . 3]" 2
11 1 33 ILE MD 1 78 ALA H 4.000 . 6.000 4.549 3.823 5.956 . 0 0 "[ . 1 . 2 . 3]" 2
12 1 64 LYS QB 1 66 ILE H 4.000 . 5.500 3.449 3.121 4.008 . 0 0 "[ . 1 . 2 . 3]" 2
13 1 36 ASN QB 1 39 LYS H 4.000 . 5.500 5.251 5.096 5.421 . 0 0 "[ . 1 . 2 . 3]" 2
14 1 81 LEU H 1 83 PRO QB 4.000 . 5.500 5.082 3.947 5.520 0.020 28 0 "[ . 1 . 2 . 3]" 2
15 1 60 LEU HG 1 71 ALA H 4.000 . 6.000 5.404 4.918 5.842 . 0 0 "[ . 1 . 2 . 3]" 2
16 1 67 SER HA 1 69 ALA H 4.000 . 6.000 4.139 4.069 4.252 . 0 0 "[ . 1 . 2 . 3]" 2
17 1 24 PRO QG 1 27 ARG H 4.000 . 6.000 5.902 5.422 6.055 0.055 25 0 "[ . 1 . 2 . 3]" 2
18 1 23 GLN QB 1 49 VAL H 4.000 . 6.000 4.809 3.421 6.049 0.049 10 0 "[ . 1 . 2 . 3]" 2
19 1 67 SER QB 1 70 LYS H 4.000 . 6.000 5.372 4.837 5.837 . 0 0 "[ . 1 . 2 . 3]" 2
20 1 42 GLU QB 1 45 GLY H 4.000 . 6.000 5.718 4.951 6.071 0.071 27 0 "[ . 1 . 2 . 3]" 2
21 1 35 ALA HA 1 37 ASP H 4.000 . 6.000 4.702 3.708 5.131 . 0 0 "[ . 1 . 2 . 3]" 2
22 1 44 ALA H 1 63 ILE MD 4.000 . 6.500 3.737 2.408 4.558 . 0 0 "[ . 1 . 2 . 3]" 2
23 1 62 ASN H 1 63 ILE QG 4.000 . 6.000 4.537 3.566 5.200 . 0 0 "[ . 1 . 2 . 3]" 2
24 1 60 LEU HA 1 62 ASN H 4.000 . 6.000 3.995 3.828 4.126 . 0 0 "[ . 1 . 2 . 3]" 2
25 1 39 LYS H 1 40 LYS HA 4.000 . 6.000 5.301 5.097 5.476 . 0 0 "[ . 1 . 2 . 3]" 2
26 1 25 ILE MG 1 52 VAL H 4.000 . 6.500 5.074 3.964 6.234 . 0 0 "[ . 1 . 2 . 3]" 2
27 1 71 ALA H 1 72 ASP HA 4.000 . 6.000 5.649 5.515 5.815 . 0 0 "[ . 1 . 2 . 3]" 2
28 1 44 ALA MB 1 63 ILE H 4.000 . 6.500 6.433 5.330 6.680 0.180 30 0 "[ . 1 . 2 . 3]" 2
29 1 41 LEU QB 1 46 PHE H 4.000 . 6.000 3.737 2.615 4.952 . 0 0 "[ . 1 . 2 . 3]" 2
30 1 42 GLU H 1 63 ILE MD 4.000 . 6.500 5.187 3.923 6.411 . 0 0 "[ . 1 . 2 . 3]" 2
31 1 35 ALA MB 1 37 ASP H 4.000 . 6.500 5.008 4.326 5.265 . 0 0 "[ . 1 . 2 . 3]" 2
32 1 25 ILE HA 1 49 VAL H 4.000 . 6.000 5.898 4.510 6.183 0.183 22 0 "[ . 1 . 2 . 3]" 2
33 1 25 ILE HA 1 27 ARG H 4.000 . 6.000 4.654 4.143 5.081 . 0 0 "[ . 1 . 2 . 3]" 2
34 1 25 ILE MG 1 48 THR H 4.000 . 6.500 3.953 2.552 4.424 . 0 0 "[ . 1 . 2 . 3]" 2
35 1 25 ILE MD 1 27 ARG H 4.000 . 6.500 6.217 4.961 6.663 0.163 26 0 "[ . 1 . 2 . 3]" 2
36 1 45 GLY H 1 46 PHE QE 4.000 . 6.000 3.195 2.782 4.755 . 0 0 "[ . 1 . 2 . 3]" 2
37 1 39 LYS HA 1 41 LEU H 4.000 . 6.000 4.974 4.150 5.403 . 0 0 "[ . 1 . 2 . 3]" 2
38 1 38 VAL HA 1 40 LYS H 4.000 . 6.000 5.416 4.740 5.923 . 0 0 "[ . 1 . 2 . 3]" 2
39 1 28 LEU QB 1 33 ILE H 4.000 . 6.000 5.461 5.164 5.992 . 0 0 "[ . 1 . 2 . 3]" 2
40 1 37 ASP H 1 41 LEU HG 4.000 . 6.000 5.832 3.782 6.055 0.055 27 0 "[ . 1 . 2 . 3]" 2
41 1 40 LYS QG 1 72 ASP H 4.000 . 6.000 6.045 5.738 6.183 0.183 29 0 "[ . 1 . 2 . 3]" 2
42 1 35 ALA MB 1 38 VAL H 4.000 . 6.500 4.949 4.655 5.336 . 0 0 "[ . 1 . 2 . 3]" 2
43 1 38 VAL H 1 39 LYS QD 4.000 . 6.000 4.495 3.507 5.967 . 0 0 "[ . 1 . 2 . 3]" 2
44 1 41 LEU HG 1 43 GLU H 4.000 . 6.000 4.781 4.266 6.043 0.043 5 0 "[ . 1 . 2 . 3]" 2
45 1 35 ALA H 1 37 ASP QB 4.000 . 6.000 5.711 5.361 6.117 0.117 11 0 "[ . 1 . 2 . 3]" 2
46 1 56 PRO QD 1 59 GLU H 4.000 . 6.000 3.993 3.393 4.530 . 0 0 "[ . 1 . 2 . 3]" 2
47 1 46 PHE QB 1 48 THR H 4.000 . 6.000 3.898 3.591 4.477 . 0 0 "[ . 1 . 2 . 3]" 2
48 1 44 ALA H 1 60 LEU QD 4.000 . 6.500 4.377 3.411 5.080 . 0 0 "[ . 1 . 2 . 3]" 2
49 1 38 VAL H 1 39 LYS QG 4.000 . 6.000 5.210 4.382 6.054 0.054 25 0 "[ . 1 . 2 . 3]" 2
50 1 59 GLU H 1 60 LEU QD 4.000 . 6.500 5.224 5.085 5.296 . 0 0 "[ . 1 . 2 . 3]" 2
51 1 48 THR H 1 51 ALA HA 4.000 . 6.000 5.488 4.947 6.021 0.021 24 0 "[ . 1 . 2 . 3]" 2
52 1 68 GLU H 1 71 ALA H 4.000 . 6.000 5.527 5.310 5.642 . 0 0 "[ . 1 . 2 . 3]" 2
53 1 46 PHE H 1 63 ILE MD 4.000 . 6.500 5.356 4.645 5.966 . 0 0 "[ . 1 . 2 . 3]" 2
54 1 39 LYS QG 1 43 GLU H 4.000 . 6.000 5.478 4.630 6.117 0.117 29 0 "[ . 1 . 2 . 3]" 2
55 1 19 SER HA 1 23 GLN QE 4.000 . 6.000 4.812 2.346 6.011 0.011 4 0 "[ . 1 . 2 . 3]" 2
56 1 46 PHE H 1 60 LEU QB 4.000 . 6.000 5.750 5.124 6.069 0.069 20 0 "[ . 1 . 2 . 3]" 2
57 1 58 LYS H 1 59 GLU HA 4.000 . 6.000 5.276 5.107 5.521 . 0 0 "[ . 1 . 2 . 3]" 2
58 1 31 CYS HA 1 33 ILE H 4.000 . 6.000 5.923 5.570 6.035 0.035 27 0 "[ . 1 . 2 . 3]" 2
59 1 24 PRO HA 1 48 THR H 4.000 . 6.000 5.808 5.180 6.109 0.109 3 0 "[ . 1 . 2 . 3]" 2
60 1 56 PRO QD 1 58 LYS H 4.000 . 6.000 5.295 4.571 5.860 . 0 0 "[ . 1 . 2 . 3]" 2
61 1 55 ALA H 1 56 PRO QD 4.000 . 6.000 4.283 3.680 4.405 . 0 0 "[ . 1 . 2 . 3]" 2
62 1 57 LYS H 1 58 LYS HA 4.000 . 6.000 5.573 5.353 5.701 . 0 0 "[ . 1 . 2 . 3]" 2
63 1 77 GLU QB 1 81 LEU H 4.000 . 6.000 4.949 4.380 5.267 . 0 0 "[ . 1 . 2 . 3]" 2
64 1 64 LYS H 1 66 ILE QG 4.000 . 6.000 3.869 3.089 4.195 . 0 0 "[ . 1 . 2 . 3]" 2
65 1 31 CYS H 1 33 ILE MG 4.000 . 6.500 5.270 4.847 5.417 . 0 0 "[ . 1 . 2 . 3]" 2
66 1 49 VAL HA 1 51 ALA H 3.000 . 3.800 3.497 3.241 3.808 0.008 16 0 "[ . 1 . 2 . 3]" 2
67 1 30 GLN HA 1 32 GLY H 3.000 . 3.800 3.777 3.581 3.861 0.061 27 0 "[ . 1 . 2 . 3]" 2
68 1 72 ASP HA 1 75 LEU H 3.000 . 3.800 3.249 2.608 3.814 0.014 18 0 "[ . 1 . 2 . 3]" 2
69 1 75 LEU HA 1 79 ALA H 3.000 . 3.800 3.651 3.188 3.817 0.017 20 0 "[ . 1 . 2 . 3]" 2
70 1 78 ALA HA 1 81 LEU H 3.000 . 3.800 3.443 3.150 3.785 . 0 0 "[ . 1 . 2 . 3]" 2
71 1 61 ILE MG 1 72 ASP H 3.000 . 4.300 4.066 3.854 4.335 0.035 10 0 "[ . 1 . 2 . 3]" 2
72 1 44 ALA MB 1 63 ILE MD 3.000 . 4.300 2.945 2.353 4.260 . 0 0 "[ . 1 . 2 . 3]" 2
73 1 28 LEU HA 1 28 LEU QD 3.000 . 4.300 2.073 1.776 2.845 0.024 13 0 "[ . 1 . 2 . 3]" 2
74 1 61 ILE HB 1 61 ILE MD 3.000 . 4.300 2.052 1.977 2.162 . 0 0 "[ . 1 . 2 . 3]" 2
75 1 66 ILE QG 1 66 ILE MG 3.000 . 4.300 2.008 1.834 2.528 . 0 0 "[ . 1 . 2 . 3]" 2
76 1 60 LEU QD 1 63 ILE MD 4.000 . 6.000 1.724 1.621 1.776 0.179 14 0 "[ . 1 . 2 . 3]" 2
77 1 29 GLU QG 1 30 GLN HA 4.000 . 5.500 3.414 2.734 3.928 . 0 0 "[ . 1 . 2 . 3]" 2
78 1 60 LEU QD 1 61 ILE MG 4.000 . 6.000 2.763 2.601 2.919 . 0 0 "[ . 1 . 2 . 3]" 2
79 1 83 PRO HA 1 84 MET H 4.000 . 5.500 3.075 2.217 3.595 . 0 0 "[ . 1 . 2 . 3]" 2
80 1 25 ILE MG 1 78 ALA MB 4.000 . 6.000 2.496 1.918 3.365 . 0 0 "[ . 1 . 2 . 3]" 2
81 1 60 LEU HA 1 63 ILE MD 4.000 . 6.000 2.824 1.856 3.873 . 0 0 "[ . 1 . 2 . 3]" 2
82 1 23 GLN HA 1 24 PRO QD 4.000 . 5.500 2.690 1.824 3.530 . 0 0 "[ . 1 . 2 . 3]" 2
83 1 73 LYS HA 1 76 ALA MB 4.000 . 6.000 2.812 2.471 3.365 . 0 0 "[ . 1 . 2 . 3]" 2
84 1 44 ALA MB 1 63 ILE MG 4.000 . 6.000 4.715 2.932 5.574 . 0 0 "[ . 1 . 2 . 3]" 2
85 1 57 LYS HA 1 75 LEU QD 4.000 . 6.000 5.310 4.424 5.993 . 0 0 "[ . 1 . 2 . 3]" 2
86 1 63 ILE HA 1 63 ILE MD 4.000 . 6.000 3.763 3.478 4.108 . 0 0 "[ . 1 . 2 . 3]" 2
87 1 58 LYS HA 1 61 ILE MD 4.000 . 6.000 2.563 2.303 2.864 . 0 0 "[ . 1 . 2 . 3]" 2
88 1 78 ALA HA 1 82 VAL QG 4.000 . 6.000 2.441 1.789 3.942 0.011 18 0 "[ . 1 . 2 . 3]" 2
89 1 22 PRO QD 1 78 ALA MB 4.000 . 6.000 5.689 3.487 6.060 0.060 1 0 "[ . 1 . 2 . 3]" 2
90 1 55 ALA HA 1 56 PRO QD 4.000 . 5.500 2.026 1.883 2.181 . 0 0 "[ . 1 . 2 . 3]" 2
91 1 57 LYS HA 1 61 ILE MG 4.000 . 6.000 3.363 3.043 3.635 . 0 0 "[ . 1 . 2 . 3]" 2
92 1 33 ILE MD 1 74 ILE HA 4.000 . 6.000 3.314 2.062 4.647 . 0 0 "[ . 1 . 2 . 3]" 2
93 1 40 LYS QB 1 66 ILE MD 4.000 . 6.000 4.930 4.066 5.562 . 0 0 "[ . 1 . 2 . 3]" 2
94 1 57 LYS QG 1 61 ILE MG 4.000 . 6.000 3.965 2.255 4.845 . 0 0 "[ . 1 . 2 . 3]" 2
95 1 43 GLU HA 1 44 ALA H 4.000 . 5.500 3.444 3.238 3.588 . 0 0 "[ . 1 . 2 . 3]" 2
96 1 25 ILE MG 1 47 HIS HA 4.000 . 6.000 4.907 2.787 5.611 . 0 0 "[ . 1 . 2 . 3]" 2
97 1 57 LYS QE 1 58 LYS QB 4.000 . 5.500 4.517 2.683 5.571 0.071 23 0 "[ . 1 . 2 . 3]" 2
98 1 38 VAL HB 1 66 ILE MD 4.000 . 6.000 6.018 5.510 6.156 0.156 5 0 "[ . 1 . 2 . 3]" 2
99 1 44 ALA MB 1 63 ILE HB 4.000 . 6.000 5.795 4.975 6.145 0.145 24 0 "[ . 1 . 2 . 3]" 2
100 1 73 LYS QB 1 74 ILE HA 4.000 . 5.500 4.313 4.199 4.462 . 0 0 "[ . 1 . 2 . 3]" 2
101 1 58 LYS QB 1 61 ILE MD 4.000 . 6.000 3.880 3.299 4.272 . 0 0 "[ . 1 . 2 . 3]" 2
102 1 41 LEU HA 1 63 ILE MD 4.000 . 6.000 5.558 4.159 6.219 0.219 22 0 "[ . 1 . 2 . 3]" 2
103 1 41 LEU QD 1 44 ALA MB 4.000 . 6.000 5.501 5.125 6.182 0.182 25 0 "[ . 1 . 2 . 3]" 2
104 1 33 ILE MD 1 73 LYS QB 4.000 . 6.000 5.324 3.698 5.970 . 0 0 "[ . 1 . 2 . 3]" 2
105 1 81 LEU HA 1 82 VAL H 4.000 . 5.500 3.553 3.406 3.602 . 0 0 "[ . 1 . 2 . 3]" 2
106 1 66 ILE MG 1 71 ALA H 4.000 . 6.000 3.549 3.195 4.008 . 0 0 "[ . 1 . 2 . 3]" 2
107 1 66 ILE MG 1 68 GLU HA 4.000 . 6.000 5.504 5.164 5.931 . 0 0 "[ . 1 . 2 . 3]" 2
108 1 72 ASP HA 1 75 LEU QB 4.000 . 5.500 2.617 1.859 3.940 . 0 0 "[ . 1 . 2 . 3]" 2
109 1 46 PHE QD 1 60 LEU QD 4.000 . 6.000 2.328 1.778 2.664 0.022 11 0 "[ . 1 . 2 . 3]" 2
110 1 72 ASP HA 1 75 LEU QD 4.000 . 6.000 2.832 1.780 3.884 0.020 1 0 "[ . 1 . 2 . 3]" 2
111 1 24 PRO HA 1 48 THR HA 4.000 . 5.500 3.613 3.047 4.156 . 0 0 "[ . 1 . 2 . 3]" 2
112 1 24 PRO HA 1 25 ILE HB 4.000 . 6.000 5.752 4.672 6.035 0.035 24 0 "[ . 1 . 2 . 3]" 2
113 1 42 GLU QG 1 63 ILE MD 4.000 . 6.500 6.143 4.722 6.568 0.068 7 0 "[ . 1 . 2 . 3]" 2
114 1 37 ASP HA 1 40 LYS QB 4.000 . 6.000 3.935 3.512 4.361 . 0 0 "[ . 1 . 2 . 3]" 2
115 1 35 ALA HA 1 38 VAL HB 4.000 . 6.000 3.926 3.359 4.642 . 0 0 "[ . 1 . 2 . 3]" 2
116 1 61 ILE HA 1 62 ASN H 4.000 . 6.000 3.523 3.499 3.559 . 0 0 "[ . 1 . 2 . 3]" 2
117 1 58 LYS HA 1 61 ILE QG 4.000 . 6.000 1.856 1.795 2.046 0.005 2 0 "[ . 1 . 2 . 3]" 2
118 1 30 GLN HA 1 36 ASN QB 4.000 . 6.000 6.110 5.900 6.255 0.255 16 0 "[ . 1 . 2 . 3]" 2
119 1 61 ILE MD 1 68 GLU HA 4.000 . 6.500 5.685 5.620 5.755 . 0 0 "[ . 1 . 2 . 3]" 2
120 1 66 ILE MD 1 71 ALA MB 4.000 . 6.500 4.721 4.138 5.514 . 0 0 "[ . 1 . 2 . 3]" 2
121 1 25 ILE MG 1 79 ALA MB 4.000 . 6.500 5.862 5.126 6.542 0.042 10 0 "[ . 1 . 2 . 3]" 2
122 1 33 ILE HB 1 37 ASP HA 4.000 . 6.000 5.862 5.055 6.062 0.062 30 0 "[ . 1 . 2 . 3]" 2
123 1 36 ASN HA 1 66 ILE MD 4.000 . 6.500 4.636 3.151 5.310 . 0 0 "[ . 1 . 2 . 3]" 2
124 1 66 ILE MG 1 73 LYS QB 4.000 . 6.500 5.412 4.930 5.667 . 0 0 "[ . 1 . 2 . 3]" 2
125 1 42 GLU HA 1 46 PHE H 4.000 . 6.000 6.218 6.061 6.348 0.348 29 0 "[ . 1 . 2 . 3]" 2
126 1 71 ALA HA 1 74 ILE HB 4.000 . 6.000 3.481 3.062 5.357 . 0 0 "[ . 1 . 2 . 3]" 2
127 1 66 ILE HB 1 69 ALA HA 4.000 . 6.000 6.281 6.131 6.399 0.399 10 0 "[ . 1 . 2 . 3]" 2
128 1 37 ASP HA 1 41 LEU QD 4.000 . 6.500 1.769 1.680 1.831 0.120 24 0 "[ . 1 . 2 . 3]" 2
129 1 40 LYS QG 1 66 ILE MD 4.000 . 6.500 4.039 2.664 4.844 . 0 0 "[ . 1 . 2 . 3]" 2
130 1 28 LEU QD 1 78 ALA H 4.000 . 6.500 3.066 2.174 4.194 . 0 0 "[ . 1 . 2 . 3]" 2
131 1 55 ALA MB 1 56 PRO QD 4.000 . 6.500 2.456 1.843 3.120 . 0 0 "[ . 1 . 2 . 3]" 2
132 1 30 GLN H 1 30 GLN QG 4.000 . 6.000 3.694 2.730 3.989 . 0 0 "[ . 1 . 2 . 3]" 2
133 1 81 LEU QB 1 82 VAL QG 4.000 . 6.500 2.885 2.206 4.098 . 0 0 "[ . 1 . 2 . 3]" 2
134 1 33 ILE MD 1 77 GLU QG 3.000 . 4.300 3.059 1.805 4.007 . 0 0 "[ . 1 . 2 . 3]" 2
135 1 73 LYS HA 1 76 ALA H 4.000 . 6.000 3.860 3.606 4.284 . 0 0 "[ . 1 . 2 . 3]" 2
136 1 59 GLU HA 1 62 ASN QB 4.000 . 6.000 2.261 2.079 2.553 . 0 0 "[ . 1 . 2 . 3]" 2
137 1 58 LYS HA 1 61 ILE MG 4.000 . 6.500 3.524 3.219 3.773 . 0 0 "[ . 1 . 2 . 3]" 2
138 1 68 GLU QG 1 69 ALA MB 4.000 . 6.500 5.493 4.271 5.764 . 0 0 "[ . 1 . 2 . 3]" 2
139 1 50 GLU QB 1 74 ILE MG 4.000 . 6.500 6.423 5.952 6.562 0.062 22 0 "[ . 1 . 2 . 3]" 2
140 1 60 LEU HA 1 60 LEU HG 4.000 . 6.000 3.691 3.529 3.740 . 0 0 "[ . 1 . 2 . 3]" 2
141 1 24 PRO HA 1 25 ILE MG 4.000 . 6.500 4.356 3.946 5.724 . 0 0 "[ . 1 . 2 . 3]" 2
142 1 48 THR MG 1 49 VAL H 4.000 . 6.500 3.284 1.845 4.111 . 0 0 "[ . 1 . 2 . 3]" 2
143 1 63 ILE HA 1 64 LYS QB 4.000 . 6.000 5.074 4.909 5.434 . 0 0 "[ . 1 . 2 . 3]" 2
144 1 80 LYS HA 1 82 VAL H 4.000 . 6.000 4.965 4.391 5.781 . 0 0 "[ . 1 . 2 . 3]" 2
145 1 37 ASP HA 1 40 LYS H 4.000 . 6.000 4.995 4.417 5.547 . 0 0 "[ . 1 . 2 . 3]" 2
146 1 40 LYS HA 1 41 LEU H 4.000 . 6.000 3.611 3.595 3.643 . 0 0 "[ . 1 . 2 . 3]" 2
147 1 25 ILE MG 1 50 GLU HA 4.000 . 6.500 6.438 5.636 6.592 0.092 27 0 "[ . 1 . 2 . 3]" 2
148 1 66 ILE H 1 66 ILE MD 4.000 . 6.500 2.395 1.811 3.684 . 0 0 "[ . 1 . 2 . 3]" 2
149 1 25 ILE MG 1 74 ILE H 4.000 . 6.500 5.754 5.010 6.519 0.019 12 0 "[ . 1 . 2 . 3]" 2
150 1 82 VAL QG 1 83 PRO QD 4.000 . 6.500 3.107 1.746 3.398 0.054 18 0 "[ . 1 . 2 . 3]" 2
151 1 60 LEU QD 1 66 ILE MG 4.000 . 6.500 5.487 5.113 5.934 . 0 0 "[ . 1 . 2 . 3]" 2
152 1 33 ILE MD 1 73 LYS QE 4.000 . 6.500 4.547 3.063 5.732 . 0 0 "[ . 1 . 2 . 3]" 2
153 1 25 ILE MG 1 28 LEU HA 4.000 . 6.500 6.011 5.202 6.553 0.053 9 0 "[ . 1 . 2 . 3]" 2
154 1 28 LEU QB 1 31 CYS QB 4.000 . 6.000 5.100 4.837 5.309 . 0 0 "[ . 1 . 2 . 3]" 2
155 1 37 ASP QB 1 41 LEU QD 4.000 . 6.500 3.087 2.309 3.320 . 0 0 "[ . 1 . 2 . 3]" 2
156 1 18 GLU HA 1 19 SER QB 4.000 . 6.000 4.231 3.710 5.238 . 0 0 "[ . 1 . 2 . 3]" 2
157 1 47 HIS QB 1 48 THR MG 4.000 . 6.500 4.064 3.692 5.409 . 0 0 "[ . 1 . 2 . 3]" 2
158 1 24 PRO HA 1 48 THR MG 4.000 . 6.500 5.238 3.836 6.341 . 0 0 "[ . 1 . 2 . 3]" 2
159 1 63 ILE MG 1 66 ILE HB 4.000 . 6.500 6.372 5.776 6.605 0.105 8 0 "[ . 1 . 2 . 3]" 2
160 1 63 ILE MD 1 71 ALA MB 4.000 . 6.500 6.005 5.175 6.510 0.010 22 0 "[ . 1 . 2 . 3]" 2
161 1 44 ALA HA 1 63 ILE MD 4.000 . 6.500 5.006 4.160 6.354 . 0 0 "[ . 1 . 2 . 3]" 2
162 1 28 LEU HA 1 31 CYS QB 4.000 . 6.000 3.800 3.232 4.156 . 0 0 "[ . 1 . 2 . 3]" 2
163 1 41 LEU QB 1 47 HIS HA 4.000 . 6.000 3.641 3.111 5.124 . 0 0 "[ . 1 . 2 . 3]" 2
164 1 78 ALA H 1 79 ALA MB 4.000 . 6.500 4.195 3.990 4.450 . 0 0 "[ . 1 . 2 . 3]" 2
165 1 38 VAL HA 1 41 LEU HG 4.000 . 6.000 4.223 3.690 4.739 . 0 0 "[ . 1 . 2 . 3]" 2
166 1 39 LYS QG 1 64 LYS HA 4.000 . 6.000 4.838 3.927 6.067 0.067 22 0 "[ . 1 . 2 . 3]" 2
167 1 38 VAL HA 1 41 LEU QB 4.000 . 6.000 5.820 4.230 6.059 0.059 24 0 "[ . 1 . 2 . 3]" 2
168 1 46 PHE QB 1 71 ALA MB 4.000 . 6.500 5.931 5.529 6.432 . 0 0 "[ . 1 . 2 . 3]" 2
169 1 39 LYS HA 1 42 GLU QG 4.000 . 6.000 4.907 3.610 6.018 0.018 11 0 "[ . 1 . 2 . 3]" 2
170 1 78 ALA HA 1 82 VAL H 4.000 . 6.000 2.900 2.572 3.367 . 0 0 "[ . 1 . 2 . 3]" 2
171 1 30 GLN HA 1 47 HIS H 4.000 . 6.000 5.900 5.504 6.095 0.095 30 0 "[ . 1 . 2 . 3]" 2
172 1 33 ILE HA 1 73 LYS QG 4.000 . 6.000 5.820 5.313 6.022 0.022 27 0 "[ . 1 . 2 . 3]" 2
173 1 29 GLU QG 1 31 CYS QB 4.000 . 6.000 5.635 5.386 6.031 0.031 10 0 "[ . 1 . 2 . 3]" 2
174 1 71 ALA HA 1 73 LYS QB 4.000 . 6.000 4.835 4.609 5.019 . 0 0 "[ . 1 . 2 . 3]" 2
175 1 61 ILE MG 1 62 ASN QB 4.000 . 6.500 5.143 5.080 5.215 . 0 0 "[ . 1 . 2 . 3]" 2
176 1 41 LEU QD 1 46 PHE QB 4.000 . 6.500 5.291 3.373 6.047 . 0 0 "[ . 1 . 2 . 3]" 2
177 1 48 THR MG 1 51 ALA MB 4.000 . 6.500 5.172 4.447 6.510 0.010 28 0 "[ . 1 . 2 . 3]" 2
178 1 73 LYS HA 1 77 GLU QG 4.000 . 6.000 4.264 3.601 5.452 . 0 0 "[ . 1 . 2 . 3]" 2
179 1 61 ILE HA 1 66 ILE HB 4.000 . 6.000 3.200 2.940 3.616 . 0 0 "[ . 1 . 2 . 3]" 2
180 1 68 GLU HA 1 71 ALA H 4.000 . 6.000 4.110 3.854 4.388 . 0 0 "[ . 1 . 2 . 3]" 2
181 1 60 LEU QD 1 75 LEU QD 4.000 . 6.500 5.245 4.274 6.126 . 0 0 "[ . 1 . 2 . 3]" 2
182 1 33 ILE MD 1 74 ILE H 4.000 . 6.500 5.512 3.833 6.513 0.013 25 0 "[ . 1 . 2 . 3]" 2
183 1 68 GLU QB 1 69 ALA HA 4.000 . 6.000 4.092 3.921 4.641 . 0 0 "[ . 1 . 2 . 3]" 2
184 1 58 LYS HA 1 59 GLU HA 4.000 . 6.000 4.746 4.697 4.769 . 0 0 "[ . 1 . 2 . 3]" 2
185 1 26 SER HA 1 29 GLU QG 4.000 . 6.000 3.774 2.396 4.664 . 0 0 "[ . 1 . 2 . 3]" 2
186 1 33 ILE HB 1 78 ALA MB 4.000 . 6.500 6.491 6.086 6.605 0.105 25 0 "[ . 1 . 2 . 3]" 2
187 1 73 LYS QE 1 77 GLU HA 4.000 . 6.000 5.407 4.561 6.022 0.022 9 0 "[ . 1 . 2 . 3]" 2
188 1 72 ASP HA 1 76 ALA MB 4.000 . 6.500 4.520 3.804 5.055 . 0 0 "[ . 1 . 2 . 3]" 2
189 1 72 ASP HA 1 74 ILE HB 4.000 . 6.000 5.105 4.467 6.207 0.207 13 0 "[ . 1 . 2 . 3]" 2
190 1 56 PRO QD 1 59 GLU QB 4.000 . 6.000 2.373 1.811 3.549 . 0 0 "[ . 1 . 2 . 3]" 2
191 1 41 LEU QD 1 46 PHE QD 4.000 . 6.500 5.206 4.281 6.165 . 0 0 "[ . 1 . 2 . 3]" 2
192 1 27 ARG HA 1 29 GLU H 4.000 . 6.000 5.389 5.014 5.902 . 0 0 "[ . 1 . 2 . 3]" 2
193 1 18 GLU H 1 72 ASP HA 4.000 . 6.000 5.793 4.759 6.049 0.049 4 0 "[ . 1 . 2 . 3]" 2
194 1 63 ILE MD 1 66 ILE HB 4.000 . 6.500 6.012 4.517 6.545 0.045 10 0 "[ . 1 . 2 . 3]" 2
195 1 60 LEU QD 1 71 ALA MB 4.000 . 6.500 3.155 2.728 3.525 . 0 0 "[ . 1 . 2 . 3]" 2
196 1 73 LYS QE 1 76 ALA MB 4.000 . 6.500 3.554 2.408 5.128 . 0 0 "[ . 1 . 2 . 3]" 2
197 1 28 LEU QD 1 77 GLU QG 3.000 . 4.300 3.909 2.585 4.317 0.017 12 0 "[ . 1 . 2 . 3]" 2
198 1 33 ILE MG 1 34 ASN HA 3.000 . 4.300 3.850 3.737 3.919 . 0 0 "[ . 1 . 2 . 3]" 2
199 1 31 CYS HA 1 32 GLY H 3.000 . 3.800 3.400 3.241 3.441 . 0 0 "[ . 1 . 2 . 3]" 2
200 1 29 GLU HA 1 34 ASN H 3.000 . 3.800 4.191 4.034 4.234 0.434 12 0 "[ . 1 . 2 . 3]" 2
201 1 29 GLU HA 1 33 ILE MG 3.000 . 4.300 1.735 1.625 1.774 0.175 27 0 "[ . 1 . 2 . 3]" 2
202 1 28 LEU HA 1 29 GLU H 3.000 . 3.800 3.572 3.534 3.597 . 0 0 "[ . 1 . 2 . 3]" 2
203 1 28 LEU HA 1 33 ILE HB 3.000 . 3.800 3.865 3.754 3.966 0.166 27 0 "[ . 1 . 2 . 3]" 2
204 1 55 ALA MB 1 60 LEU HA 3.000 . 4.300 4.310 3.749 4.414 0.114 8 0 "[ . 1 . 2 . 3]" 2
205 1 77 GLU HA 1 77 GLU QG 3.000 . 3.800 2.438 1.998 3.356 . 0 0 "[ . 1 . 2 . 3]" 2
206 1 39 LYS HA 1 40 LYS H 3.000 . 3.800 3.576 3.464 3.631 . 0 0 "[ . 1 . 2 . 3]" 2
207 1 66 ILE HA 1 66 ILE HB 3.000 . 3.800 2.984 2.919 3.013 . 0 0 "[ . 1 . 2 . 3]" 2
208 1 40 LYS HA 1 40 LYS QE 3.000 . 3.800 3.838 3.371 4.090 0.290 21 0 "[ . 1 . 2 . 3]" 2
209 1 66 ILE MG 1 70 LYS HA 3.000 . 4.300 4.186 3.796 4.345 0.045 16 0 "[ . 1 . 2 . 3]" 2
210 1 70 LYS HA 1 71 ALA H 3.000 . 3.800 3.582 3.514 3.611 . 0 0 "[ . 1 . 2 . 3]" 2
211 1 64 LYS HA 1 65 GLY H 3.000 . 3.800 3.480 3.013 3.579 . 0 0 "[ . 1 . 2 . 3]" 2
212 1 75 LEU HA 1 78 ALA H 3.000 . 3.800 3.801 3.570 3.894 0.094 21 0 "[ . 1 . 2 . 3]" 2
213 1 26 SER H 1 26 SER HA 3.000 . 3.800 2.776 2.662 2.913 . 0 0 "[ . 1 . 2 . 3]" 2
214 1 26 SER HA 1 27 ARG H 3.000 . 3.800 3.573 3.537 3.606 . 0 0 "[ . 1 . 2 . 3]" 2
215 1 67 SER QB 1 69 ALA H 3.000 . 3.800 3.020 2.449 3.593 . 0 0 "[ . 1 . 2 . 3]" 2
216 1 67 SER QB 1 68 GLU H 3.000 . 3.800 2.154 1.786 2.866 0.014 22 0 "[ . 1 . 2 . 3]" 2
217 1 25 ILE HA 1 28 LEU H 3.000 . 3.800 3.305 2.988 3.813 0.013 2 0 "[ . 1 . 2 . 3]" 2
218 1 27 ARG HA 1 31 CYS QB 3.000 . 3.800 2.802 1.954 3.850 0.050 25 0 "[ . 1 . 2 . 3]" 2
219 1 25 ILE QG 1 49 VAL HA 3.000 . 3.800 3.631 2.482 3.880 0.080 20 0 "[ . 1 . 2 . 3]" 2
220 1 33 ILE MG 1 74 ILE HA 3.000 . 4.300 4.100 3.673 4.316 0.016 2 0 "[ . 1 . 2 . 3]" 2
221 1 73 LYS QG 1 74 ILE HA 3.000 . 3.800 3.663 3.381 3.837 0.037 13 0 "[ . 1 . 2 . 3]" 2
222 1 74 ILE HA 1 77 GLU QB 3.000 . 3.800 3.051 2.168 3.835 0.035 19 0 "[ . 1 . 2 . 3]" 2
223 1 33 ILE MG 1 40 LYS QE 3.000 . 4.300 3.871 3.607 4.119 . 0 0 "[ . 1 . 2 . 3]" 2
224 1 73 LYS QE 1 77 GLU QG 3.000 . 3.800 2.741 1.875 3.665 . 0 0 "[ . 1 . 2 . 3]" 2
225 1 62 ASN QB 1 63 ILE H 3.000 . 3.800 3.157 2.939 3.702 . 0 0 "[ . 1 . 2 . 3]" 2
226 1 36 ASN QB 1 70 LYS QB 3.000 . 3.800 3.389 2.512 3.719 . 0 0 "[ . 1 . 2 . 3]" 2
227 1 55 ALA MB 1 59 GLU QG 3.000 . 4.300 3.163 2.279 4.081 . 0 0 "[ . 1 . 2 . 3]" 2
228 1 56 PRO QD 1 59 GLU QG 3.000 . 3.800 3.134 2.262 3.727 . 0 0 "[ . 1 . 2 . 3]" 2
229 1 68 GLU H 1 68 GLU QG 3.000 . 3.800 3.030 2.295 3.900 0.100 28 0 "[ . 1 . 2 . 3]" 2
230 1 74 ILE HA 1 74 ILE HB 3.000 . 3.800 2.848 2.399 3.038 . 0 0 "[ . 1 . 2 . 3]" 2
231 1 73 LYS QG 1 77 GLU QG 3.000 . 3.800 3.225 2.389 3.780 . 0 0 "[ . 1 . 2 . 3]" 2
232 1 35 ALA MB 1 38 VAL HB 3.000 . 4.300 4.227 3.658 4.400 0.100 17 0 "[ . 1 . 2 . 3]" 2
233 1 77 GLU QB 1 78 ALA H 3.000 . 3.800 2.765 2.399 3.493 . 0 0 "[ . 1 . 2 . 3]" 2
234 1 57 LYS QE 1 57 LYS QG 3.000 . 3.800 2.131 1.899 2.396 . 0 0 "[ . 1 . 2 . 3]" 2
235 1 22 PRO HA 1 22 PRO QD 3.000 . 3.800 3.450 3.376 3.528 . 0 0 "[ . 1 . 2 . 3]" 2
236 1 22 PRO HA 1 52 VAL QG 3.000 . 4.300 4.005 2.075 4.369 0.069 12 0 "[ . 1 . 2 . 3]" 2
237 1 56 PRO HA 1 58 LYS H 3.000 . 3.800 3.839 3.732 3.914 0.114 23 0 "[ . 1 . 2 . 3]" 2
238 1 24 PRO HA 1 26 SER H 3.000 . 3.800 3.171 2.924 3.904 0.104 18 0 "[ . 1 . 2 . 3]" 2
239 1 38 VAL HA 1 41 LEU QD 3.000 . 4.300 3.760 3.399 4.458 0.158 5 0 "[ . 1 . 2 . 3]" 2
240 1 43 GLU QG 1 60 LEU QD 3.000 . 4.300 3.507 1.841 4.351 0.051 11 0 "[ . 1 . 2 . 3]" 2
241 1 48 THR MG 1 49 VAL QG 3.000 . 4.300 3.254 2.046 4.311 0.011 12 0 "[ . 1 . 2 . 3]" 2
242 1 33 ILE MD 1 77 GLU QB 3.000 . 4.300 2.426 1.848 3.356 . 0 0 "[ . 1 . 2 . 3]" 2
243 1 40 LYS HA 1 61 ILE MG 3.000 . 4.300 4.427 4.341 4.530 0.230 4 0 "[ . 1 . 2 . 3]" 2
244 1 61 ILE MG 1 71 ALA H 3.000 . 4.300 2.374 2.075 2.715 . 0 0 "[ . 1 . 2 . 3]" 2
245 1 60 LEU H 1 61 ILE MG 3.000 . 4.300 4.281 3.980 4.368 0.068 13 0 "[ . 1 . 2 . 3]" 2
246 1 78 ALA MB 1 82 VAL H 3.000 . 4.300 4.097 3.831 4.359 0.059 18 0 "[ . 1 . 2 . 3]" 2
247 1 77 GLU QB 1 78 ALA MB 3.000 . 4.300 3.829 3.626 4.414 0.114 19 0 "[ . 1 . 2 . 3]" 2
248 1 70 LYS H 1 71 ALA MB 3.000 . 4.300 3.943 3.819 4.171 . 0 0 "[ . 1 . 2 . 3]" 2
249 1 35 ALA MB 1 66 ILE QG 3.000 . 4.300 4.159 3.593 4.454 0.154 8 0 "[ . 1 . 2 . 3]" 2
250 1 35 ALA MB 1 70 LYS H 3.000 . 4.300 4.407 4.281 4.564 0.264 2 0 "[ . 1 . 2 . 3]" 2
251 1 76 ALA MB 1 77 GLU QG 3.000 . 4.300 3.039 2.468 3.932 . 0 0 "[ . 1 . 2 . 3]" 2
252 1 76 ALA MB 1 78 ALA H 3.000 . 4.300 4.192 3.943 4.326 0.026 6 0 "[ . 1 . 2 . 3]" 2
253 1 69 ALA MB 1 71 ALA H 3.000 . 4.300 3.864 3.678 4.130 . 0 0 "[ . 1 . 2 . 3]" 2
254 1 25 ILE MG 1 48 THR HA 3.000 . 4.300 4.322 4.093 4.418 0.118 18 0 "[ . 1 . 2 . 3]" 2
255 1 44 ALA MB 1 46 PHE QD 3.000 . 4.300 3.065 2.617 3.270 . 0 0 "[ . 1 . 2 . 3]" 2
256 1 46 PHE QE 1 55 ALA MB 3.000 . 4.300 2.853 2.314 3.511 . 0 0 "[ . 1 . 2 . 3]" 2
257 1 44 ALA MB 1 46 PHE QE 3.000 . 4.300 1.929 1.716 2.389 0.084 1 0 "[ . 1 . 2 . 3]" 2
258 1 46 PHE QE 1 63 ILE MD 3.000 . 4.300 2.638 1.971 4.499 0.199 11 0 "[ . 1 . 2 . 3]" 2
259 1 46 PHE QE 1 60 LEU QD 4.000 . 6.000 2.200 1.786 2.719 0.014 20 0 "[ . 1 . 2 . 3]" 2
260 1 46 PHE QE 1 63 ILE MG 4.000 . 6.000 4.858 2.460 6.107 0.107 6 0 "[ . 1 . 2 . 3]" 2
261 1 41 LEU QB 1 47 HIS HE1 4.000 . 5.500 4.829 3.714 5.616 0.116 16 0 "[ . 1 . 2 . 3]" 2
262 1 45 GLY QA 1 47 HIS HE1 4.000 . 5.500 3.391 1.946 4.999 . 0 0 "[ . 1 . 2 . 3]" 2
263 1 46 PHE QE 1 59 GLU QG 4.000 . 5.500 5.181 4.215 5.507 0.007 17 0 "[ . 1 . 2 . 3]" 2
264 1 46 PHE QE 1 60 LEU HG 4.000 . 5.500 4.768 4.217 5.511 0.011 14 0 "[ . 1 . 2 . 3]" 2
265 1 46 PHE QB 1 46 PHE QE 4.000 . 6.000 3.940 3.930 3.999 . 0 0 "[ . 1 . 2 . 3]" 2
266 1 46 PHE QE 1 60 LEU QB 4.000 . 6.000 2.866 1.844 3.579 . 0 0 "[ . 1 . 2 . 3]" 2
267 1 46 PHE QE 1 55 ALA HA 4.000 . 6.000 5.709 4.914 6.091 0.091 12 0 "[ . 1 . 2 . 3]" 2
268 1 50 GLU QB 1 54 TYR QE 4.000 . 6.000 5.339 3.894 6.006 0.006 11 0 "[ . 1 . 2 . 3]" 2
269 1 54 TYR QB 1 54 TYR QE 4.000 . 6.000 3.973 3.961 4.004 . 0 0 "[ . 1 . 2 . 3]" 2
270 1 50 GLU HA 1 54 TYR QE 4.000 . 6.000 4.974 2.748 6.000 0.000 28 0 "[ . 1 . 2 . 3]" 2
271 1 46 PHE HA 1 46 PHE QD 4.000 . 6.000 2.939 2.017 3.083 . 0 0 "[ . 1 . 2 . 3]" 2
272 1 61 ILE MD 1 64 LYS H 4.000 . 6.500 5.602 5.001 6.312 . 0 0 "[ . 1 . 2 . 3]" 2
273 1 67 SER H 1 70 LYS QB 4.000 . 6.000 4.562 3.442 5.708 . 0 0 "[ . 1 . 2 . 3]" 2
274 1 31 CYS H 1 32 GLY QA 4.000 . 6.000 4.473 4.377 4.698 . 0 0 "[ . 1 . 2 . 3]" 2
275 1 43 GLU H 1 60 LEU QD 4.000 . 6.500 4.571 3.916 5.121 . 0 0 "[ . 1 . 2 . 3]" 2
276 1 29 GLU QB 1 74 ILE H 4.000 . 6.000 5.840 5.269 6.043 0.043 12 0 "[ . 1 . 2 . 3]" 2
277 1 26 SER HA 1 82 VAL QG 4.000 . 6.500 6.364 5.509 6.570 0.070 5 0 "[ . 1 . 2 . 3]" 2
278 1 25 ILE HA 1 49 VAL HA 4.000 . 6.000 5.924 5.411 6.068 0.068 15 0 "[ . 1 . 2 . 3]" 2
279 1 33 ILE HB 1 40 LYS QE 4.000 . 6.000 6.048 5.911 6.151 0.151 18 0 "[ . 1 . 2 . 3]" 2
280 1 28 LEU QD 1 31 CYS QB 4.000 . 6.500 4.544 3.833 5.303 . 0 0 "[ . 1 . 2 . 3]" 2
281 1 24 PRO HA 1 25 ILE HA 4.000 . 6.000 4.697 4.666 4.733 . 0 0 "[ . 1 . 2 . 3]" 2
282 1 26 SER HA 1 48 THR MG 4.000 . 6.500 3.870 1.848 5.152 . 0 0 "[ . 1 . 2 . 3]" 2
283 1 58 LYS QB 1 61 ILE MG 4.000 . 6.500 4.998 4.673 5.298 . 0 0 "[ . 1 . 2 . 3]" 2
284 1 35 ALA MB 1 40 LYS HA 4.000 . 6.500 6.628 6.400 6.745 0.245 3 0 "[ . 1 . 2 . 3]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 349
_Distance_constraint_stats_list.Viol_count 293
_Distance_constraint_stats_list.Viol_total 455.193
_Distance_constraint_stats_list.Viol_max 0.256
_Distance_constraint_stats_list.Viol_rms 0.0123
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0014
_Distance_constraint_stats_list.Viol_average_violations_only 0.0518
_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 17 GLU 0.182 0.036 12 0 "[ . 1 . 2 . 3]"
1 18 GLU 0.034 0.034 9 0 "[ . 1 . 2 . 3]"
1 20 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 21 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 22 PRO 0.616 0.103 3 0 "[ . 1 . 2 . 3]"
1 23 GLN 0.504 0.103 3 0 "[ . 1 . 2 . 3]"
1 24 PRO 0.501 0.103 3 0 "[ . 1 . 2 . 3]"
1 25 ILE 0.614 0.174 10 0 "[ . 1 . 2 . 3]"
1 26 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 27 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 28 LEU 0.659 0.174 10 0 "[ . 1 . 2 . 3]"
1 29 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 30 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 31 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 32 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 33 ILE 0.109 0.042 25 0 "[ . 1 . 2 . 3]"
1 34 ASN 0.109 0.057 20 0 "[ . 1 . 2 . 3]"
1 35 ALA 0.044 0.025 24 0 "[ . 1 . 2 . 3]"
1 36 ASN 3.656 0.240 5 0 "[ . 1 . 2 . 3]"
1 37 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 38 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 39 LYS 0.730 0.094 24 0 "[ . 1 . 2 . 3]"
1 40 LYS 1.274 0.076 17 0 "[ . 1 . 2 . 3]"
1 41 LEU 4.628 0.240 5 0 "[ . 1 . 2 . 3]"
1 42 GLU 0.685 0.122 27 0 "[ . 1 . 2 . 3]"
1 43 GLU 0.581 0.122 27 0 "[ . 1 . 2 . 3]"
1 44 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 45 GLY 0.181 0.048 15 0 "[ . 1 . 2 . 3]"
1 46 PHE 3.962 0.240 5 0 "[ . 1 . 2 . 3]"
1 47 HIS 0.066 0.053 27 0 "[ . 1 . 2 . 3]"
1 48 THR 0.069 0.069 16 0 "[ . 1 . 2 . 3]"
1 49 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 50 GLU 0.319 0.029 24 0 "[ . 1 . 2 . 3]"
1 51 ALA 0.003 0.003 5 0 "[ . 1 . 2 . 3]"
1 52 VAL 0.290 0.111 13 0 "[ . 1 . 2 . 3]"
1 54 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 55 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 56 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 57 LYS 0.328 0.062 18 0 "[ . 1 . 2 . 3]"
1 58 LYS 0.068 0.025 26 0 "[ . 1 . 2 . 3]"
1 59 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 60 LEU 2.675 0.256 28 0 "[ . 1 . 2 . 3]"
1 61 ILE 5.479 0.162 16 0 "[ . 1 . 2 . 3]"
1 62 ASN 0.028 0.017 20 0 "[ . 1 . 2 . 3]"
1 63 ILE 0.859 0.151 19 0 "[ . 1 . 2 . 3]"
1 64 LYS 2.144 0.256 28 0 "[ . 1 . 2 . 3]"
1 65 GLY 0.032 0.032 11 0 "[ . 1 . 2 . 3]"
1 66 ILE 2.297 0.256 28 0 "[ . 1 . 2 . 3]"
1 67 SER 0.070 0.030 10 0 "[ . 1 . 2 . 3]"
1 68 GLU 0.148 0.036 12 0 "[ . 1 . 2 . 3]"
1 69 ALA 0.002 0.002 26 0 "[ . 1 . 2 . 3]"
1 70 LYS 1.197 0.094 24 0 "[ . 1 . 2 . 3]"
1 71 ALA 4.984 0.162 16 0 "[ . 1 . 2 . 3]"
1 72 ASP 0.083 0.036 12 0 "[ . 1 . 2 . 3]"
1 73 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 74 ILE 0.425 0.111 13 0 "[ . 1 . 2 . 3]"
1 75 LEU 1.721 0.174 10 0 "[ . 1 . 2 . 3]"
1 76 ALA 0.003 0.003 5 0 "[ . 1 . 2 . 3]"
1 77 GLU 0.139 0.046 5 0 "[ . 1 . 2 . 3]"
1 78 ALA 0.463 0.174 10 0 "[ . 1 . 2 . 3]"
1 79 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 80 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 81 LEU 0.103 0.058 18 0 "[ . 1 . 2 . 3]"
1 82 VAL 0.100 0.058 18 0 "[ . 1 . 2 . 3]"
1 83 PRO 0.058 0.058 18 0 "[ . 1 . 2 . 3]"
1 84 MET 0.501 0.103 3 0 "[ . 1 . 2 . 3]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 41 LEU HA 1 45 GLY H 2.500 . 3.200 2.195 1.951 2.444 . 0 0 "[ . 1 . 2 . 3]" 3
2 1 41 LEU HA 1 46 PHE H 3.000 . 3.800 2.119 1.752 2.624 0.048 15 0 "[ . 1 . 2 . 3]" 3
3 1 60 LEU QD 1 71 ALA H 3.000 . 4.300 3.453 3.160 3.808 . 0 0 "[ . 1 . 2 . 3]" 3
4 1 41 LEU HA 1 44 ALA H 3.000 . 3.800 2.958 2.781 3.321 . 0 0 "[ . 1 . 2 . 3]" 3
5 1 61 ILE MD 1 63 ILE H 4.000 . 6.000 3.119 2.130 3.342 . 0 0 "[ . 1 . 2 . 3]" 3
6 1 36 ASN HA 1 40 LYS H 4.000 . 5.500 2.343 1.914 2.760 . 0 0 "[ . 1 . 2 . 3]" 3
7 1 63 ILE QG 1 67 SER H 4.000 . 5.500 4.520 3.417 5.516 0.016 20 0 "[ . 1 . 2 . 3]" 3
8 1 33 ILE MG 1 37 ASP H 4.000 . 6.000 2.171 1.858 2.638 . 0 0 "[ . 1 . 2 . 3]" 3
9 1 61 ILE HB 1 66 ILE H 4.000 . 5.500 3.282 2.967 3.576 . 0 0 "[ . 1 . 2 . 3]" 3
10 1 68 GLU HA 1 72 ASP H 4.000 . 5.500 2.160 1.994 2.600 . 0 0 "[ . 1 . 2 . 3]" 3
11 1 61 ILE MD 1 66 ILE H 4.000 . 6.000 3.001 2.343 3.327 . 0 0 "[ . 1 . 2 . 3]" 3
12 1 40 LYS HA 1 63 ILE H 4.000 . 5.500 3.887 3.767 4.050 . 0 0 "[ . 1 . 2 . 3]" 3
13 1 61 ILE MD 1 71 ALA H 4.000 . 6.000 2.371 2.074 2.710 . 0 0 "[ . 1 . 2 . 3]" 3
14 1 56 PRO QD 1 59 GLU H 4.000 . 5.500 3.579 3.228 3.831 . 0 0 "[ . 1 . 2 . 3]" 3
15 1 35 ALA MB 1 39 LYS H 4.000 . 6.000 4.078 3.736 4.415 . 0 0 "[ . 1 . 2 . 3]" 3
16 1 67 SER QB 1 69 ALA H 4.000 . 5.500 3.005 2.447 3.558 . 0 0 "[ . 1 . 2 . 3]" 3
17 1 27 ARG H 1 28 LEU QD 4.000 . 6.000 3.818 3.124 4.446 . 0 0 "[ . 1 . 2 . 3]" 3
18 1 58 LYS H 1 61 ILE MD 4.000 . 6.000 4.184 3.876 4.302 . 0 0 "[ . 1 . 2 . 3]" 3
19 1 66 ILE MD 1 70 LYS H 4.000 . 6.000 1.838 1.742 1.986 0.058 20 0 "[ . 1 . 2 . 3]" 3
20 1 52 VAL H 1 55 ALA H 4.000 . 5.500 3.726 2.269 4.660 . 0 0 "[ . 1 . 2 . 3]" 3
21 1 57 LYS H 1 61 ILE MG 4.000 . 6.000 4.627 4.194 4.935 . 0 0 "[ . 1 . 2 . 3]" 3
22 1 25 ILE MD 1 48 THR H 4.000 . 6.000 2.658 1.812 5.063 . 0 0 "[ . 1 . 2 . 3]" 3
23 1 24 PRO QB 1 26 SER H 4.000 . 5.500 3.632 3.217 3.967 . 0 0 "[ . 1 . 2 . 3]" 3
24 1 57 LYS QB 1 73 LYS H 4.000 . 6.000 4.247 4.024 4.586 . 0 0 "[ . 1 . 2 . 3]" 3
25 1 33 ILE MG 1 41 LEU H 4.000 . 6.500 4.738 4.519 4.899 . 0 0 "[ . 1 . 2 . 3]" 3
26 1 56 PRO QG 1 58 LYS H 4.000 . 6.000 3.681 2.990 4.155 . 0 0 "[ . 1 . 2 . 3]" 3
27 1 40 LYS HA 1 61 ILE H 4.000 . 6.000 3.550 3.525 3.567 . 0 0 "[ . 1 . 2 . 3]" 3
28 1 26 SER H 1 49 VAL QG 4.000 . 6.500 4.045 3.343 4.680 . 0 0 "[ . 1 . 2 . 3]" 3
29 1 34 ASN QB 1 37 ASP H 4.000 . 6.000 4.259 3.716 4.892 . 0 0 "[ . 1 . 2 . 3]" 3
30 1 61 ILE MD 1 68 GLU H 4.000 . 6.500 3.917 3.805 4.036 . 0 0 "[ . 1 . 2 . 3]" 3
31 1 25 ILE HB 1 49 VAL H 4.000 . 6.500 3.182 1.833 3.828 . 0 0 "[ . 1 . 2 . 3]" 3
32 1 49 VAL HA 1 52 VAL H 4.000 . 6.000 3.853 3.065 5.355 . 0 0 "[ . 1 . 2 . 3]" 3
33 1 33 ILE MD 1 73 LYS H 4.000 . 6.500 5.161 3.822 5.840 . 0 0 "[ . 1 . 2 . 3]" 3
34 1 25 ILE MD 1 78 ALA H 4.000 . 6.500 4.153 3.642 4.784 . 0 0 "[ . 1 . 2 . 3]" 3
35 1 57 LYS QB 1 72 ASP H 4.000 . 6.000 3.880 3.384 4.371 . 0 0 "[ . 1 . 2 . 3]" 3
36 1 23 GLN QE 1 49 VAL QG 4.000 . 6.500 2.835 1.849 4.101 . 0 0 "[ . 1 . 2 . 3]" 3
37 1 59 GLU HA 1 62 ASN QD 4.000 . 6.000 3.589 2.840 4.242 . 0 0 "[ . 1 . 2 . 3]" 3
38 1 68 GLU HA 1 70 LYS H 4.000 . 6.000 4.559 4.492 4.692 . 0 0 "[ . 1 . 2 . 3]" 3
39 1 29 GLU H 1 33 ILE MG 4.000 . 6.500 3.558 3.259 4.010 . 0 0 "[ . 1 . 2 . 3]" 3
40 1 61 ILE H 1 66 ILE MD 4.000 . 6.500 4.489 4.092 5.934 . 0 0 "[ . 1 . 2 . 3]" 3
41 1 17 GLU QB 1 72 ASP H 4.000 . 6.000 3.563 3.332 3.790 . 0 0 "[ . 1 . 2 . 3]" 3
42 1 38 VAL QG 1 42 GLU H 4.000 . 6.500 4.510 4.168 4.776 . 0 0 "[ . 1 . 2 . 3]" 3
43 1 30 GLN QG 1 48 THR H 4.000 . 6.000 3.862 3.563 4.433 . 0 0 "[ . 1 . 2 . 3]" 3
44 1 17 GLU QB 1 72 ASP H 4.000 . 6.000 4.389 4.009 4.642 . 0 0 "[ . 1 . 2 . 3]" 3
45 1 76 ALA MB 1 78 ALA H 4.000 . 6.500 3.733 3.576 3.887 . 0 0 "[ . 1 . 2 . 3]" 3
46 1 66 ILE HA 1 71 ALA H 4.000 . 6.000 4.980 4.672 5.158 . 0 0 "[ . 1 . 2 . 3]" 3
47 1 51 ALA H 1 52 VAL QG 4.000 . 6.500 3.856 2.811 4.953 . 0 0 "[ . 1 . 2 . 3]" 3
48 1 60 LEU QD 1 72 ASP H 4.000 . 6.500 4.660 4.316 5.011 . 0 0 "[ . 1 . 2 . 3]" 3
49 1 41 LEU QB 1 46 PHE H 4.000 . 6.500 3.710 2.614 4.847 . 0 0 "[ . 1 . 2 . 3]" 3
50 1 39 LYS H 1 42 GLU H 4.000 . 6.000 4.481 4.240 4.721 . 0 0 "[ . 1 . 2 . 3]" 3
51 1 51 ALA MB 1 76 ALA H 4.000 . 6.500 3.975 3.701 4.220 . 0 0 "[ . 1 . 2 . 3]" 3
52 1 26 SER H 1 27 ARG QB 4.000 . 6.000 4.048 3.591 4.351 . 0 0 "[ . 1 . 2 . 3]" 3
53 1 52 VAL QG 1 55 ALA H 4.000 . 6.500 4.944 4.506 5.516 . 0 0 "[ . 1 . 2 . 3]" 3
54 1 39 LYS QD 1 42 GLU H 4.000 . 6.500 5.185 4.420 5.811 . 0 0 "[ . 1 . 2 . 3]" 3
55 1 76 ALA HA 1 79 ALA H 4.000 . 6.000 3.776 3.447 4.049 . 0 0 "[ . 1 . 2 . 3]" 3
56 1 25 ILE QG 1 52 VAL H 4.000 . 6.500 5.233 2.294 6.427 . 0 0 "[ . 1 . 2 . 3]" 3
57 1 38 VAL H 1 39 LYS QB 4.000 . 6.000 4.523 4.057 4.818 . 0 0 "[ . 1 . 2 . 3]" 3
58 1 23 GLN QE 1 49 VAL HB 4.000 . 6.000 3.796 2.067 5.304 . 0 0 "[ . 1 . 2 . 3]" 3
59 1 33 ILE MD 1 77 GLU H 4.000 . 6.500 4.138 3.526 4.711 . 0 0 "[ . 1 . 2 . 3]" 3
60 1 23 GLN H 1 49 VAL QG 4.000 . 6.500 3.339 1.960 4.182 . 0 0 "[ . 1 . 2 . 3]" 3
61 1 17 GLU QG 1 58 LYS H 4.000 . 6.000 5.587 5.058 6.025 0.025 26 0 "[ . 1 . 2 . 3]" 3
62 1 22 PRO HA 1 49 VAL H 4.000 . 6.000 2.971 2.012 5.749 . 0 0 "[ . 1 . 2 . 3]" 3
63 1 57 LYS QB 1 69 ALA H 4.000 . 6.000 5.251 4.849 5.525 . 0 0 "[ . 1 . 2 . 3]" 3
64 1 25 ILE HB 1 51 ALA H 4.000 . 6.500 4.099 3.046 5.327 . 0 0 "[ . 1 . 2 . 3]" 3
65 1 61 ILE QG 1 68 GLU H 4.000 . 6.500 3.844 3.709 4.003 . 0 0 "[ . 1 . 2 . 3]" 3
66 1 25 ILE H 1 28 LEU QD 4.000 . 6.500 4.042 3.571 4.603 . 0 0 "[ . 1 . 2 . 3]" 3
67 1 58 LYS QB 1 62 ASN H 4.000 . 6.000 4.276 4.119 4.423 . 0 0 "[ . 1 . 2 . 3]" 3
68 1 33 ILE MD 1 76 ALA H 4.000 . 6.500 4.065 3.751 4.789 . 0 0 "[ . 1 . 2 . 3]" 3
69 1 36 ASN QB 1 41 LEU H 3.000 . 3.800 3.921 3.831 4.040 0.240 5 0 "[ . 1 . 2 . 3]" 3
70 1 55 ALA H 1 56 PRO QD 4.000 . 6.000 4.218 3.667 4.323 . 0 0 "[ . 1 . 2 . 3]" 3
71 1 36 ASN QB 1 42 GLU H 4.000 . 6.000 5.727 5.440 5.900 . 0 0 "[ . 1 . 2 . 3]" 3
72 1 49 VAL QG 1 52 VAL H 4.000 . 6.500 3.862 3.146 4.994 . 0 0 "[ . 1 . 2 . 3]" 3
73 1 33 ILE MG 1 78 ALA H 4.000 . 6.500 4.566 3.935 5.630 . 0 0 "[ . 1 . 2 . 3]" 3
74 1 59 GLU H 1 60 LEU QB 4.000 . 6.000 3.311 3.219 3.372 . 0 0 "[ . 1 . 2 . 3]" 3
75 1 41 LEU QB 1 45 GLY H 4.000 . 6.000 4.163 3.549 4.933 . 0 0 "[ . 1 . 2 . 3]" 3
76 1 23 GLN HA 1 25 ILE H 4.000 . 6.000 3.766 3.560 3.980 . 0 0 "[ . 1 . 2 . 3]" 3
77 1 59 GLU H 1 61 ILE MD 4.000 . 6.500 4.128 4.050 4.192 . 0 0 "[ . 1 . 2 . 3]" 3
78 1 27 ARG QB 1 30 GLN H 4.000 . 6.000 3.926 3.699 4.151 . 0 0 "[ . 1 . 2 . 3]" 3
79 1 39 LYS QE 1 66 ILE H 4.000 . 6.000 5.227 4.154 6.026 0.026 27 0 "[ . 1 . 2 . 3]" 3
80 1 61 ILE MD 1 69 ALA H 4.000 . 6.500 4.178 4.015 4.453 . 0 0 "[ . 1 . 2 . 3]" 3
81 1 28 LEU QD 1 80 LYS H 4.000 . 6.500 3.908 3.393 4.382 . 0 0 "[ . 1 . 2 . 3]" 3
82 1 79 ALA MB 1 81 LEU H 4.000 . 6.500 3.808 2.212 4.165 . 0 0 "[ . 1 . 2 . 3]" 3
83 1 24 PRO QB 1 27 ARG H 4.000 . 6.000 3.921 3.316 4.589 . 0 0 "[ . 1 . 2 . 3]" 3
84 1 46 PHE QD 1 50 GLU H 4.000 . 6.000 4.324 3.810 5.103 . 0 0 "[ . 1 . 2 . 3]" 3
85 1 28 LEU QB 1 33 ILE H 4.000 . 6.000 5.337 5.094 5.809 . 0 0 "[ . 1 . 2 . 3]" 3
86 1 29 GLU QB 1 34 ASN H 4.000 . 6.000 4.193 3.831 4.424 . 0 0 "[ . 1 . 2 . 3]" 3
87 1 34 ASN QB 1 40 LYS H 4.000 . 6.000 3.812 3.447 4.102 . 0 0 "[ . 1 . 2 . 3]" 3
88 1 61 ILE QG 1 67 SER H 4.000 . 6.500 3.496 3.014 3.729 . 0 0 "[ . 1 . 2 . 3]" 3
89 1 64 LYS H 1 66 ILE MD 4.000 . 6.500 2.866 1.781 4.568 0.019 20 0 "[ . 1 . 2 . 3]" 3
90 1 24 PRO QB 1 28 LEU H 4.000 . 6.000 4.117 3.816 4.565 . 0 0 "[ . 1 . 2 . 3]" 3
91 1 60 LEU HA 1 64 LYS H 4.000 . 6.000 5.977 5.670 6.256 0.256 28 0 "[ . 1 . 2 . 3]" 3
92 1 61 ILE MD 1 67 SER H 4.000 . 6.500 2.662 1.775 2.972 0.025 20 0 "[ . 1 . 2 . 3]" 3
93 1 67 SER QB 1 72 ASP H 4.000 . 6.000 4.768 4.167 5.163 . 0 0 "[ . 1 . 2 . 3]" 3
94 1 22 PRO QG 1 76 ALA H 4.000 . 6.000 5.101 4.713 5.346 . 0 0 "[ . 1 . 2 . 3]" 3
95 1 23 GLN QG 1 76 ALA H 4.000 . 6.000 4.166 3.323 4.730 . 0 0 "[ . 1 . 2 . 3]" 3
96 1 61 ILE QG 1 66 ILE H 4.000 . 6.500 4.152 3.409 4.350 . 0 0 "[ . 1 . 2 . 3]" 3
97 1 25 ILE MD 1 31 CYS H 4.000 . 6.500 4.812 4.187 5.222 . 0 0 "[ . 1 . 2 . 3]" 3
98 1 79 ALA MB 1 82 VAL H 4.000 . 6.500 4.876 3.850 5.364 . 0 0 "[ . 1 . 2 . 3]" 3
99 1 49 VAL QG 1 51 ALA H 3.000 . 4.300 3.865 3.662 4.186 . 0 0 "[ . 1 . 2 . 3]" 3
100 1 17 GLU QG 1 72 ASP H 3.000 . 3.800 3.583 3.140 3.836 0.036 12 0 "[ . 1 . 2 . 3]" 3
101 1 40 LYS HA 1 60 LEU QD 3.000 . 4.300 1.889 1.724 2.294 0.076 17 0 "[ . 1 . 2 . 3]" 3
102 1 52 VAL QG 1 75 LEU QD 3.000 . 4.300 2.434 1.763 3.924 0.037 10 0 "[ . 1 . 2 . 3]" 3
103 1 61 ILE MG 1 63 ILE MD 3.000 . 4.300 2.297 1.649 2.762 0.151 19 0 "[ . 1 . 2 . 3]" 3
104 1 61 ILE QG 1 61 ILE MG 3.000 . 4.300 1.675 1.638 1.726 0.162 16 0 "[ . 1 . 2 . 3]" 3
105 1 41 LEU HA 1 41 LEU QD 3.000 . 4.300 2.286 1.864 2.541 . 0 0 "[ . 1 . 2 . 3]" 3
106 1 61 ILE MG 1 71 ALA MB 3.000 . 4.300 1.774 1.726 1.882 0.074 16 0 "[ . 1 . 2 . 3]" 3
107 1 61 ILE QG 1 66 ILE MG 4.000 . 6.000 4.121 3.789 4.441 . 0 0 "[ . 1 . 2 . 3]" 3
108 1 60 LEU QD 1 71 ALA MB 4.000 . 6.000 3.018 2.665 3.322 . 0 0 "[ . 1 . 2 . 3]" 3
109 1 60 LEU QB 1 63 ILE MG 4.000 . 6.000 4.413 3.548 4.776 . 0 0 "[ . 1 . 2 . 3]" 3
110 1 40 LYS QB 1 40 LYS QE 4.000 . 5.500 1.817 1.771 1.919 0.029 24 0 "[ . 1 . 2 . 3]" 3
111 1 33 ILE MD 1 78 ALA MB 4.000 . 6.000 2.813 1.968 3.838 . 0 0 "[ . 1 . 2 . 3]" 3
112 1 41 LEU QB 1 60 LEU QD 4.000 . 6.000 2.901 2.620 3.145 . 0 0 "[ . 1 . 2 . 3]" 3
113 1 25 ILE MD 1 28 LEU HA 4.000 . 6.000 4.308 3.160 6.045 0.045 28 0 "[ . 1 . 2 . 3]" 3
114 1 41 LEU QD 1 63 ILE MD 4.000 . 6.000 3.744 1.901 5.199 . 0 0 "[ . 1 . 2 . 3]" 3
115 1 21 GLY QA 1 79 ALA MB 4.000 . 6.000 2.921 2.436 3.216 . 0 0 "[ . 1 . 2 . 3]" 3
116 1 72 ASP H 1 76 ALA MB 4.000 . 6.000 2.230 1.984 2.460 . 0 0 "[ . 1 . 2 . 3]" 3
117 1 40 LYS HA 1 63 ILE MD 4.000 . 6.000 2.368 1.853 2.871 . 0 0 "[ . 1 . 2 . 3]" 3
118 1 61 ILE MD 1 68 GLU QG 4.000 . 6.000 4.789 4.419 5.515 . 0 0 "[ . 1 . 2 . 3]" 3
119 1 42 GLU H 1 63 ILE MG 4.000 . 6.000 2.113 1.789 3.374 0.011 30 0 "[ . 1 . 2 . 3]" 3
120 1 46 PHE QD 1 51 ALA MB 4.000 . 6.000 2.926 1.927 3.688 . 0 0 "[ . 1 . 2 . 3]" 3
121 1 34 ASN QD 1 69 ALA MB 4.000 . 6.000 1.889 1.798 1.994 0.002 26 0 "[ . 1 . 2 . 3]" 3
122 1 39 LYS QD 1 63 ILE MG 4.000 . 6.000 2.955 2.126 4.732 . 0 0 "[ . 1 . 2 . 3]" 3
123 1 23 GLN QE 1 51 ALA MB 4.000 . 6.000 4.507 3.319 6.003 0.003 5 0 "[ . 1 . 2 . 3]" 3
124 1 35 ALA HA 1 37 ASP QB 4.000 . 5.500 3.618 3.296 4.142 . 0 0 "[ . 1 . 2 . 3]" 3
125 1 40 LYS HA 1 66 ILE MD 4.000 . 6.000 3.556 3.183 3.689 . 0 0 "[ . 1 . 2 . 3]" 3
126 1 25 ILE QG 1 75 LEU QD 4.000 . 6.000 2.943 2.290 3.706 . 0 0 "[ . 1 . 2 . 3]" 3
127 1 60 LEU QB 1 63 ILE MD 4.000 . 6.000 3.380 3.063 3.659 . 0 0 "[ . 1 . 2 . 3]" 3
128 1 28 LEU QD 1 78 ALA MB 4.000 . 6.000 2.162 1.758 2.994 0.042 25 0 "[ . 1 . 2 . 3]" 3
129 1 61 ILE MD 1 68 GLU HA 4.000 . 6.000 3.914 3.641 4.329 . 0 0 "[ . 1 . 2 . 3]" 3
130 1 33 ILE HA 1 33 ILE MD 4.000 . 6.000 2.668 1.813 3.610 . 0 0 "[ . 1 . 2 . 3]" 3
131 1 58 LYS HA 1 61 ILE MD 4.000 . 6.000 2.498 2.275 2.719 . 0 0 "[ . 1 . 2 . 3]" 3
132 1 38 VAL QG 1 66 ILE MD 4.000 . 6.000 3.632 2.758 4.794 . 0 0 "[ . 1 . 2 . 3]" 3
133 1 35 ALA MB 1 37 ASP QB 4.000 . 6.000 4.054 3.608 4.222 . 0 0 "[ . 1 . 2 . 3]" 3
134 1 40 LYS HA 1 44 ALA MB 4.000 . 6.000 3.284 2.921 3.477 . 0 0 "[ . 1 . 2 . 3]" 3
135 1 61 ILE H 1 63 ILE MD 4.000 . 6.000 2.978 2.653 3.090 . 0 0 "[ . 1 . 2 . 3]" 3
136 1 36 ASN QD 1 51 ALA MB 4.000 . 6.000 3.924 3.259 4.301 . 0 0 "[ . 1 . 2 . 3]" 3
137 1 25 ILE HA 1 28 LEU QD 4.000 . 6.000 2.560 1.974 3.165 . 0 0 "[ . 1 . 2 . 3]" 3
138 1 40 LYS QB 1 66 ILE MD 4.000 . 6.000 2.187 1.797 2.471 0.003 27 0 "[ . 1 . 2 . 3]" 3
139 1 25 ILE MD 1 78 ALA HA 4.000 . 6.000 3.999 3.140 5.151 . 0 0 "[ . 1 . 2 . 3]" 3
140 1 60 LEU QD 1 71 ALA HA 4.000 . 6.000 3.326 2.908 3.770 . 0 0 "[ . 1 . 2 . 3]" 3
141 1 61 ILE MG 1 68 GLU HA 4.000 . 6.000 3.263 3.072 3.427 . 0 0 "[ . 1 . 2 . 3]" 3
142 1 40 LYS QB 1 66 ILE MG 4.000 . 6.000 2.783 1.964 3.307 . 0 0 "[ . 1 . 2 . 3]" 3
143 1 61 ILE H 1 61 ILE MG 4.000 . 6.000 2.003 1.793 2.167 0.007 28 0 "[ . 1 . 2 . 3]" 3
144 1 69 ALA H 1 71 ALA MB 4.000 . 6.000 2.175 1.891 2.605 . 0 0 "[ . 1 . 2 . 3]" 3
145 1 29 GLU QG 1 40 LYS QB 4.000 . 5.500 3.879 2.349 4.826 . 0 0 "[ . 1 . 2 . 3]" 3
146 1 51 ALA MB 1 71 ALA HA 4.000 . 6.000 3.078 2.833 3.433 . 0 0 "[ . 1 . 2 . 3]" 3
147 1 25 ILE HA 1 28 LEU QD 4.000 . 6.000 1.986 1.626 2.608 0.174 10 0 "[ . 1 . 2 . 3]" 3
148 1 59 GLU QB 1 61 ILE MD 4.000 . 6.000 4.820 4.642 5.013 . 0 0 "[ . 1 . 2 . 3]" 3
149 1 57 LYS QG 1 68 GLU HA 4.000 . 6.000 2.584 2.233 2.995 . 0 0 "[ . 1 . 2 . 3]" 3
150 1 22 PRO QB 1 25 ILE MG 4.000 . 6.000 5.249 3.448 6.046 0.046 5 0 "[ . 1 . 2 . 3]" 3
151 1 42 GLU H 1 43 GLU QG 4.000 . 5.500 2.435 1.688 3.478 0.112 30 0 "[ . 1 . 2 . 3]" 3
152 1 82 VAL HA 1 83 PRO QD 4.000 . 5.500 2.349 2.027 3.087 . 0 0 "[ . 1 . 2 . 3]" 3
153 1 28 LEU QB 1 33 ILE MD 4.000 . 6.000 2.207 1.761 3.132 0.039 23 0 "[ . 1 . 2 . 3]" 3
154 1 42 GLU H 1 42 GLU QG 4.000 . 5.500 3.397 2.756 3.737 . 0 0 "[ . 1 . 2 . 3]" 3
155 1 17 GLU QG 1 61 ILE MG 4.000 . 6.000 4.711 4.423 5.013 . 0 0 "[ . 1 . 2 . 3]" 3
156 1 34 ASN QB 1 69 ALA HA 4.000 . 5.500 4.325 4.094 4.657 . 0 0 "[ . 1 . 2 . 3]" 3
157 1 28 LEU H 1 28 LEU QD 4.000 . 6.000 2.516 1.782 3.434 0.018 4 0 "[ . 1 . 2 . 3]" 3
158 1 58 LYS HA 1 60 LEU QB 4.000 . 5.500 1.855 1.794 2.045 0.006 2 0 "[ . 1 . 2 . 3]" 3
159 1 40 LYS HA 1 63 ILE MG 4.000 . 6.000 4.427 2.660 5.054 . 0 0 "[ . 1 . 2 . 3]" 3
160 1 25 ILE MD 1 49 VAL HA 4.000 . 6.000 3.538 2.172 4.886 . 0 0 "[ . 1 . 2 . 3]" 3
161 1 33 ILE MG 1 35 ALA HA 4.000 . 6.000 3.302 2.455 3.903 . 0 0 "[ . 1 . 2 . 3]" 3
162 1 25 ILE H 1 48 THR MG 4.000 . 6.000 2.739 2.357 3.736 . 0 0 "[ . 1 . 2 . 3]" 3
163 1 38 VAL H 1 41 LEU QD 4.000 . 6.000 2.840 2.574 3.098 . 0 0 "[ . 1 . 2 . 3]" 3
164 1 40 LYS QB 1 71 ALA MB 4.000 . 6.000 1.950 1.738 2.447 0.062 18 0 "[ . 1 . 2 . 3]" 3
165 1 60 LEU QD 1 61 ILE HA 4.000 . 6.000 2.006 1.759 2.579 0.041 14 0 "[ . 1 . 2 . 3]" 3
166 1 33 ILE MG 1 37 ASP QB 4.000 . 6.000 2.520 1.895 2.777 . 0 0 "[ . 1 . 2 . 3]" 3
167 1 24 PRO QB 1 25 ILE MG 4.000 . 6.000 4.652 4.524 5.083 . 0 0 "[ . 1 . 2 . 3]" 3
168 1 36 ASN QD 1 66 ILE MG 4.000 . 6.000 2.031 1.770 3.193 0.030 10 0 "[ . 1 . 2 . 3]" 3
169 1 39 LYS HA 1 42 GLU QB 4.000 . 5.500 2.453 1.739 3.809 0.061 6 0 "[ . 1 . 2 . 3]" 3
170 1 39 LYS HA 1 42 GLU H 4.000 . 5.500 3.175 2.698 3.548 . 0 0 "[ . 1 . 2 . 3]" 3
171 1 67 SER QB 1 69 ALA MB 4.000 . 6.000 3.188 2.867 3.526 . 0 0 "[ . 1 . 2 . 3]" 3
172 1 58 LYS HA 1 61 ILE QG 4.000 . 6.000 1.854 1.794 2.042 0.006 2 0 "[ . 1 . 2 . 3]" 3
173 1 29 GLU QG 1 33 ILE MD 4.000 . 6.000 3.017 1.803 3.953 . 0 0 "[ . 1 . 2 . 3]" 3
174 1 38 VAL H 1 38 VAL HB 4.000 . 5.500 2.546 2.331 2.685 . 0 0 "[ . 1 . 2 . 3]" 3
175 1 64 LYS QB 1 66 ILE HA 4.000 . 5.500 4.752 4.343 5.101 . 0 0 "[ . 1 . 2 . 3]" 3
176 1 61 ILE H 1 61 ILE QG 4.000 . 5.500 1.962 1.886 2.061 . 0 0 "[ . 1 . 2 . 3]" 3
177 1 61 ILE MD 1 66 ILE QG 4.000 . 6.000 3.675 3.070 3.854 . 0 0 "[ . 1 . 2 . 3]" 3
178 1 25 ILE QG 1 75 LEU HA 4.000 . 6.000 2.562 2.123 2.977 . 0 0 "[ . 1 . 2 . 3]" 3
179 1 39 LYS HA 1 66 ILE MG 4.000 . 6.000 4.561 4.310 4.941 . 0 0 "[ . 1 . 2 . 3]" 3
180 1 61 ILE HB 1 66 ILE MG 4.000 . 6.000 3.493 3.391 3.704 . 0 0 "[ . 1 . 2 . 3]" 3
181 1 51 ALA MB 1 52 VAL QG 4.000 . 6.000 2.377 1.841 2.856 . 0 0 "[ . 1 . 2 . 3]" 3
182 1 61 ILE HB 1 66 ILE MD 4.000 . 6.000 2.799 2.283 4.155 . 0 0 "[ . 1 . 2 . 3]" 3
183 1 61 ILE H 1 63 ILE MG 4.000 . 6.000 3.393 2.139 3.688 . 0 0 "[ . 1 . 2 . 3]" 3
184 1 33 ILE MG 1 35 ALA MB 4.000 . 6.000 3.800 3.441 4.022 . 0 0 "[ . 1 . 2 . 3]" 3
185 1 52 VAL HB 1 78 ALA MB 4.000 . 6.000 3.819 3.585 4.117 . 0 0 "[ . 1 . 2 . 3]" 3
186 1 40 LYS HA 1 42 GLU H 4.000 . 5.500 4.199 3.880 4.787 . 0 0 "[ . 1 . 2 . 3]" 3
187 1 25 ILE HA 1 25 ILE MD 4.000 . 6.500 3.557 1.893 4.111 . 0 0 "[ . 1 . 2 . 3]" 3
188 1 33 ILE MD 1 75 LEU HA 4.000 . 6.500 3.032 2.691 4.652 . 0 0 "[ . 1 . 2 . 3]" 3
189 1 25 ILE QG 1 28 LEU QD 4.000 . 6.500 3.584 2.734 4.003 . 0 0 "[ . 1 . 2 . 3]" 3
190 1 61 ILE HB 1 66 ILE QG 4.000 . 6.000 3.726 2.802 4.003 . 0 0 "[ . 1 . 2 . 3]" 3
191 1 17 GLU QB 1 71 ALA MB 4.000 . 6.500 3.542 3.307 3.647 . 0 0 "[ . 1 . 2 . 3]" 3
192 1 34 ASN HA 1 35 ALA MB 4.000 . 6.500 3.595 3.474 3.711 . 0 0 "[ . 1 . 2 . 3]" 3
193 1 40 LYS HA 1 71 ALA MB 4.000 . 6.500 5.062 4.856 5.278 . 0 0 "[ . 1 . 2 . 3]" 3
194 1 40 LYS QB 1 61 ILE MG 4.000 . 6.500 3.440 3.331 3.527 . 0 0 "[ . 1 . 2 . 3]" 3
195 1 40 LYS QB 1 44 ALA MB 4.000 . 6.500 3.255 2.858 3.689 . 0 0 "[ . 1 . 2 . 3]" 3
196 1 22 PRO QB 1 48 THR MG 4.000 . 6.500 5.472 4.646 6.569 0.069 16 0 "[ . 1 . 2 . 3]" 3
197 1 57 LYS HA 1 60 LEU QD 4.000 . 6.500 3.148 2.271 3.650 . 0 0 "[ . 1 . 2 . 3]" 3
198 1 38 VAL HB 1 39 LYS HA 4.000 . 6.000 2.866 2.300 3.278 . 0 0 "[ . 1 . 2 . 3]" 3
199 1 28 LEU QD 1 29 GLU QG 4.000 . 6.500 3.545 3.380 3.962 . 0 0 "[ . 1 . 2 . 3]" 3
200 1 39 LYS QG 1 66 ILE MG 4.000 . 6.500 2.125 1.706 3.355 0.094 24 0 "[ . 1 . 2 . 3]" 3
201 1 22 PRO QG 1 83 PRO HA 4.000 . 6.000 3.946 2.925 4.724 . 0 0 "[ . 1 . 2 . 3]" 3
202 1 35 ALA HA 1 37 ASP H 4.000 . 6.000 3.826 3.402 4.111 . 0 0 "[ . 1 . 2 . 3]" 3
203 1 57 LYS QE 1 61 ILE MD 4.000 . 6.500 3.447 2.003 4.774 . 0 0 "[ . 1 . 2 . 3]" 3
204 1 25 ILE QG 1 28 LEU QD 4.000 . 6.500 3.241 1.899 3.808 . 0 0 "[ . 1 . 2 . 3]" 3
205 1 28 LEU QD 1 79 ALA HA 4.000 . 6.500 4.082 2.896 4.831 . 0 0 "[ . 1 . 2 . 3]" 3
206 1 25 ILE H 1 25 ILE HB 4.000 . 6.000 3.260 2.068 3.529 . 0 0 "[ . 1 . 2 . 3]" 3
207 1 28 LEU QB 1 78 ALA MB 4.000 . 6.500 3.011 2.700 3.229 . 0 0 "[ . 1 . 2 . 3]" 3
208 1 58 LYS HA 1 61 ILE HB 4.000 . 6.000 4.364 4.284 4.548 . 0 0 "[ . 1 . 2 . 3]" 3
209 1 81 LEU H 1 81 LEU QD 4.000 . 6.500 3.195 2.143 3.691 . 0 0 "[ . 1 . 2 . 3]" 3
210 1 42 GLU H 1 44 ALA MB 4.000 . 6.500 4.291 3.642 4.891 . 0 0 "[ . 1 . 2 . 3]" 3
211 1 28 LEU QD 1 77 GLU QB 4.000 . 6.500 2.215 1.827 2.936 . 0 0 "[ . 1 . 2 . 3]" 3
212 1 40 LYS QB 1 40 LYS QE 4.000 . 6.000 1.816 1.771 1.919 0.029 24 0 "[ . 1 . 2 . 3]" 3
213 1 58 LYS QB 1 61 ILE MD 4.000 . 6.500 3.728 3.251 4.009 . 0 0 "[ . 1 . 2 . 3]" 3
214 1 40 LYS QB 1 69 ALA MB 4.000 . 6.500 3.878 3.816 3.987 . 0 0 "[ . 1 . 2 . 3]" 3
215 1 17 GLU QB 1 79 ALA MB 4.000 . 6.500 3.684 2.243 5.625 . 0 0 "[ . 1 . 2 . 3]" 3
216 1 31 CYS QB 1 33 ILE MD 4.000 . 6.500 4.031 3.037 4.742 . 0 0 "[ . 1 . 2 . 3]" 3
217 1 28 LEU QB 1 78 ALA HA 4.000 . 6.000 2.975 2.227 3.764 . 0 0 "[ . 1 . 2 . 3]" 3
218 1 28 LEU QD 1 33 ILE HB 4.000 . 6.500 3.680 2.302 4.288 . 0 0 "[ . 1 . 2 . 3]" 3
219 1 34 ASN QB 1 35 ALA MB 4.000 . 6.500 3.249 3.074 3.525 . 0 0 "[ . 1 . 2 . 3]" 3
220 1 39 LYS HA 1 39 LYS QD 4.000 . 6.000 3.242 1.879 3.954 . 0 0 "[ . 1 . 2 . 3]" 3
221 1 41 LEU QB 1 42 GLU H 4.000 . 6.000 3.507 1.856 3.690 . 0 0 "[ . 1 . 2 . 3]" 3
222 1 57 LYS QG 1 60 LEU QB 4.000 . 6.500 3.583 3.369 3.872 . 0 0 "[ . 1 . 2 . 3]" 3
223 1 60 LEU HA 1 61 ILE H 4.000 . 6.000 3.325 3.285 3.368 . 0 0 "[ . 1 . 2 . 3]" 3
224 1 61 ILE H 1 61 ILE MD 4.000 . 6.500 3.320 3.265 3.375 . 0 0 "[ . 1 . 2 . 3]" 3
225 1 39 LYS QG 1 66 ILE MD 4.000 . 6.500 2.412 1.762 3.000 0.038 17 0 "[ . 1 . 2 . 3]" 3
226 1 41 LEU HA 1 42 GLU H 4.000 . 6.000 3.436 3.320 3.517 . 0 0 "[ . 1 . 2 . 3]" 3
227 1 38 VAL HA 1 41 LEU QB 4.000 . 6.000 3.135 2.277 4.112 . 0 0 "[ . 1 . 2 . 3]" 3
228 1 39 LYS HA 1 40 LYS QE 4.000 . 6.000 4.952 3.674 5.741 . 0 0 "[ . 1 . 2 . 3]" 3
229 1 39 LYS QE 1 65 GLY QA 4.000 . 6.000 4.783 2.605 6.032 0.032 11 0 "[ . 1 . 2 . 3]" 3
230 1 28 LEU QD 1 79 ALA MB 4.000 . 6.500 3.593 2.282 4.007 . 0 0 "[ . 1 . 2 . 3]" 3
231 1 56 PRO QD 1 60 LEU QD 4.000 . 6.500 2.970 2.250 3.223 . 0 0 "[ . 1 . 2 . 3]" 3
232 1 69 ALA HA 1 72 ASP QB 4.000 . 6.000 3.653 3.550 4.216 . 0 0 "[ . 1 . 2 . 3]" 3
233 1 17 GLU QG 1 57 LYS QE 4.000 . 6.000 3.327 1.767 5.502 0.033 12 0 "[ . 1 . 2 . 3]" 3
234 1 41 LEU QB 1 44 ALA MB 4.000 . 6.500 3.618 2.070 4.604 . 0 0 "[ . 1 . 2 . 3]" 3
235 1 35 ALA MB 1 39 LYS QD 4.000 . 6.500 2.299 1.775 3.220 0.025 24 0 "[ . 1 . 2 . 3]" 3
236 1 46 PHE QE 1 60 LEU QD 4.000 . 6.500 2.189 1.783 2.677 0.017 20 0 "[ . 1 . 2 . 3]" 3
237 1 36 ASN QD 1 66 ILE MD 4.000 . 6.500 3.562 2.932 3.705 . 0 0 "[ . 1 . 2 . 3]" 3
238 1 25 ILE MD 1 41 LEU HA 4.000 . 6.500 3.126 1.868 3.312 . 0 0 "[ . 1 . 2 . 3]" 3
239 1 61 ILE HB 1 66 ILE HB 4.000 . 6.000 1.998 1.828 2.303 . 0 0 "[ . 1 . 2 . 3]" 3
240 1 46 PHE QD 1 51 ALA HA 4.000 . 6.000 3.216 2.204 3.537 . 0 0 "[ . 1 . 2 . 3]" 3
241 1 34 ASN HA 1 35 ALA MB 4.000 . 6.500 3.968 3.762 4.168 . 0 0 "[ . 1 . 2 . 3]" 3
242 1 46 PHE QB 1 51 ALA MB 4.000 . 6.500 3.838 2.819 4.605 . 0 0 "[ . 1 . 2 . 3]" 3
243 1 49 VAL QG 1 50 GLU HA 4.000 . 6.500 3.309 2.862 4.018 . 0 0 "[ . 1 . 2 . 3]" 3
244 1 24 PRO QG 1 25 ILE MG 4.000 . 6.500 4.233 3.926 4.854 . 0 0 "[ . 1 . 2 . 3]" 3
245 1 28 LEU H 1 78 ALA MB 4.000 . 6.500 3.993 3.797 4.134 . 0 0 "[ . 1 . 2 . 3]" 3
246 1 27 ARG QD 1 28 LEU QD 4.000 . 6.500 3.322 2.546 4.024 . 0 0 "[ . 1 . 2 . 3]" 3
247 1 17 GLU H 1 75 LEU QD 4.000 . 6.500 2.422 1.766 3.157 0.034 9 0 "[ . 1 . 2 . 3]" 3
248 1 59 GLU HA 1 62 ASN QB 4.000 . 6.000 2.256 2.076 2.543 . 0 0 "[ . 1 . 2 . 3]" 3
249 1 20 PHE QD 1 79 ALA MB 4.000 . 6.500 4.181 2.181 5.354 . 0 0 "[ . 1 . 2 . 3]" 3
250 1 55 ALA H 1 60 LEU QD 4.000 . 6.500 2.689 2.614 2.783 . 0 0 "[ . 1 . 2 . 3]" 3
251 1 61 ILE QG 1 68 GLU QG 4.000 . 6.500 3.789 3.368 4.653 . 0 0 "[ . 1 . 2 . 3]" 3
252 1 36 ASN QB 1 41 LEU QD 4.000 . 6.500 4.139 2.792 4.496 . 0 0 "[ . 1 . 2 . 3]" 3
253 1 35 ALA MB 1 63 ILE MG 4.000 . 6.500 3.953 1.788 4.770 0.012 30 0 "[ . 1 . 2 . 3]" 3
254 1 34 ASN QD 1 66 ILE MD 4.000 . 6.500 4.145 3.053 4.747 . 0 0 "[ . 1 . 2 . 3]" 3
255 1 23 GLN QE 1 75 LEU QB 4.000 . 6.000 2.933 2.575 3.638 . 0 0 "[ . 1 . 2 . 3]" 3
256 1 38 VAL QG 1 39 LYS HA 4.000 . 6.500 3.137 2.559 3.560 . 0 0 "[ . 1 . 2 . 3]" 3
257 1 27 ARG HA 1 28 LEU QD 4.000 . 6.500 3.615 3.283 3.841 . 0 0 "[ . 1 . 2 . 3]" 3
258 1 25 ILE MD 1 37 ASP QB 4.000 . 6.500 3.083 2.308 3.319 . 0 0 "[ . 1 . 2 . 3]" 3
259 1 42 GLU H 1 63 ILE MD 4.000 . 6.500 3.132 2.512 3.687 . 0 0 "[ . 1 . 2 . 3]" 3
260 1 35 ALA MB 1 41 LEU HG 4.000 . 6.500 4.867 4.380 5.288 . 0 0 "[ . 1 . 2 . 3]" 3
261 1 25 ILE MD 1 46 PHE QB 4.000 . 6.500 3.486 2.716 5.343 . 0 0 "[ . 1 . 2 . 3]" 3
262 1 28 LEU QB 1 33 ILE HB 4.000 . 6.000 3.486 3.151 3.773 . 0 0 "[ . 1 . 2 . 3]" 3
263 1 34 ASN QB 1 69 ALA MB 4.000 . 6.500 4.706 4.586 4.969 . 0 0 "[ . 1 . 2 . 3]" 3
264 1 60 LEU QB 1 61 ILE H 4.000 . 6.000 2.649 2.429 2.832 . 0 0 "[ . 1 . 2 . 3]" 3
265 1 28 LEU QD 1 31 CYS QB 4.000 . 6.500 4.353 3.806 5.007 . 0 0 "[ . 1 . 2 . 3]" 3
266 1 68 GLU QG 1 69 ALA H 4.000 . 6.000 3.426 3.004 3.617 . 0 0 "[ . 1 . 2 . 3]" 3
267 1 56 PRO QG 1 60 LEU HA 4.000 . 6.000 3.981 3.694 4.360 . 0 0 "[ . 1 . 2 . 3]" 3
268 1 59 GLU HA 1 61 ILE MD 4.000 . 6.500 3.267 3.175 3.410 . 0 0 "[ . 1 . 2 . 3]" 3
269 1 36 ASN QB 1 51 ALA MB 4.000 . 6.500 3.902 2.813 4.784 . 0 0 "[ . 1 . 2 . 3]" 3
270 1 56 PRO HA 1 56 PRO QD 4.000 . 6.000 3.301 3.280 3.332 . 0 0 "[ . 1 . 2 . 3]" 3
271 1 73 LYS QG 1 77 GLU HA 4.000 . 6.500 3.956 2.110 4.666 . 0 0 "[ . 1 . 2 . 3]" 3
272 1 41 LEU QB 1 46 PHE QB 4.000 . 6.500 4.104 3.381 4.751 . 0 0 "[ . 1 . 2 . 3]" 3
273 1 30 GLN HA 1 32 GLY H 4.000 . 6.000 3.758 3.567 3.838 . 0 0 "[ . 1 . 2 . 3]" 3
274 1 72 ASP H 1 73 LYS HA 4.000 . 6.000 4.103 3.609 4.409 . 0 0 "[ . 1 . 2 . 3]" 3
275 1 36 ASN HA 1 36 ASN QD 4.000 . 6.000 3.231 2.829 3.393 . 0 0 "[ . 1 . 2 . 3]" 3
276 1 39 LYS HA 1 60 LEU QD 4.000 . 6.500 2.539 2.293 3.085 . 0 0 "[ . 1 . 2 . 3]" 3
277 1 60 LEU QB 1 61 ILE MD 4.000 . 6.500 3.526 3.390 3.655 . 0 0 "[ . 1 . 2 . 3]" 3
278 1 60 LEU HA 1 61 ILE MD 4.000 . 6.500 4.595 4.502 4.650 . 0 0 "[ . 1 . 2 . 3]" 3
279 1 61 ILE HA 1 71 ALA MB 4.000 . 6.500 3.525 3.459 3.616 . 0 0 "[ . 1 . 2 . 3]" 3
280 1 28 LEU QB 1 33 ILE HB 4.000 . 6.500 3.493 3.153 3.770 . 0 0 "[ . 1 . 2 . 3]" 3
281 1 25 ILE HB 1 47 HIS QB 4.000 . 6.500 3.981 3.666 5.106 . 0 0 "[ . 1 . 2 . 3]" 3
282 1 56 PRO QD 1 60 LEU QB 4.000 . 6.000 2.805 2.385 3.400 . 0 0 "[ . 1 . 2 . 3]" 3
283 1 41 LEU QD 1 42 GLU H 4.000 . 6.500 3.085 2.733 3.640 . 0 0 "[ . 1 . 2 . 3]" 3
284 1 25 ILE H 1 47 HIS HA 4.000 . 6.000 2.569 2.419 2.737 . 0 0 "[ . 1 . 2 . 3]" 3
285 1 17 GLU QB 1 79 ALA MB 4.000 . 6.500 4.824 2.134 6.230 . 0 0 "[ . 1 . 2 . 3]" 3
286 1 57 LYS QE 1 61 ILE MD 4.000 . 6.500 2.576 2.313 2.789 . 0 0 "[ . 1 . 2 . 3]" 3
287 1 33 ILE QG 1 70 LYS HA 4.000 . 6.500 3.750 3.710 3.793 . 0 0 "[ . 1 . 2 . 3]" 3
288 1 40 LYS HA 1 41 LEU QB 4.000 . 6.000 4.074 2.375 4.600 . 0 0 "[ . 1 . 2 . 3]" 3
289 1 41 LEU QD 1 46 PHE QE 4.000 . 6.500 4.036 1.851 5.220 . 0 0 "[ . 1 . 2 . 3]" 3
290 1 27 ARG QD 1 28 LEU QD 4.000 . 6.500 3.770 2.656 5.632 . 0 0 "[ . 1 . 2 . 3]" 3
291 1 36 ASN HA 1 40 LYS QE 4.000 . 6.000 3.766 3.169 4.535 . 0 0 "[ . 1 . 2 . 3]" 3
292 1 25 ILE HA 1 27 ARG QB 4.000 . 6.000 2.254 1.809 3.244 . 0 0 "[ . 1 . 2 . 3]" 3
293 1 22 PRO QG 1 24 PRO QD 4.000 . 6.000 2.180 1.697 3.200 0.103 3 0 "[ . 1 . 2 . 3]" 3
294 1 41 LEU QB 1 63 ILE MD 4.000 . 6.500 5.314 4.055 6.003 . 0 0 "[ . 1 . 2 . 3]" 3
295 1 35 ALA MB 1 36 ASN HA 4.000 . 6.500 3.742 3.590 3.887 . 0 0 "[ . 1 . 2 . 3]" 3
296 1 25 ILE MD 1 30 GLN HA 4.000 . 6.500 2.280 1.828 2.672 . 0 0 "[ . 1 . 2 . 3]" 3
297 1 33 ILE MG 1 76 ALA MB 4.000 . 6.500 4.394 2.549 4.790 . 0 0 "[ . 1 . 2 . 3]" 3
298 1 40 LYS QE 1 41 LEU QD 4.000 . 6.500 3.132 2.037 3.496 . 0 0 "[ . 1 . 2 . 3]" 3
299 1 40 LYS QB 1 60 LEU QD 4.000 . 6.500 2.747 2.558 3.085 . 0 0 "[ . 1 . 2 . 3]" 3
300 1 35 ALA MB 1 40 LYS QB 4.000 . 6.500 4.955 4.743 5.193 . 0 0 "[ . 1 . 2 . 3]" 3
301 1 34 ASN QB 1 66 ILE MD 4.000 . 6.500 3.358 1.806 4.543 . 0 0 "[ . 1 . 2 . 3]" 3
302 1 33 ILE MD 1 34 ASN QB 4.000 . 6.500 4.129 2.537 4.684 . 0 0 "[ . 1 . 2 . 3]" 3
303 1 36 ASN QB 1 41 LEU QB 4.000 . 6.000 3.791 3.300 4.356 . 0 0 "[ . 1 . 2 . 3]" 3
304 1 28 LEU HA 1 33 ILE MD 4.000 . 6.500 3.102 2.732 4.143 . 0 0 "[ . 1 . 2 . 3]" 3
305 1 28 LEU QD 1 83 PRO QD 4.000 . 6.500 2.973 1.742 3.267 0.058 18 0 "[ . 1 . 2 . 3]" 3
306 1 57 LYS H 1 75 LEU QD 4.000 . 6.500 4.830 4.210 5.612 . 0 0 "[ . 1 . 2 . 3]" 3
307 1 33 ILE MD 1 77 GLU QG 4.000 . 6.500 3.035 1.802 3.965 . 0 0 "[ . 1 . 2 . 3]" 3
308 1 17 GLU QB 1 57 LYS QE 4.000 . 6.000 4.076 2.005 5.213 . 0 0 "[ . 1 . 2 . 3]" 3
309 1 23 GLN QE 1 75 LEU HA 4.000 . 6.000 3.212 2.278 3.486 . 0 0 "[ . 1 . 2 . 3]" 3
310 1 34 ASN QD 1 69 ALA HA 4.000 . 6.000 3.521 3.458 3.552 . 0 0 "[ . 1 . 2 . 3]" 3
311 1 17 GLU QG 1 71 ALA MB 4.000 . 6.500 3.844 3.399 4.640 . 0 0 "[ . 1 . 2 . 3]" 3
312 1 22 PRO QB 1 28 LEU QD 4.000 . 6.500 3.676 2.573 4.008 . 0 0 "[ . 1 . 2 . 3]" 3
313 1 40 LYS QB 1 41 LEU HA 4.000 . 6.000 3.616 3.433 3.705 . 0 0 "[ . 1 . 2 . 3]" 3
314 1 29 GLU HA 1 30 GLN H 3.000 . 3.800 3.371 3.324 3.464 . 0 0 "[ . 1 . 2 . 3]" 3
315 1 40 LYS HA 1 61 ILE MG 3.000 . 4.300 4.137 3.660 4.354 0.054 22 0 "[ . 1 . 2 . 3]" 3
316 1 68 GLU HA 1 69 ALA H 3.000 . 3.800 2.156 1.991 2.585 . 0 0 "[ . 1 . 2 . 3]" 3
317 1 24 PRO QB 1 26 SER HA 3.000 . 3.800 2.849 2.232 3.636 . 0 0 "[ . 1 . 2 . 3]" 3
318 1 61 ILE MD 1 66 ILE HB 3.000 . 4.300 2.678 2.347 2.976 . 0 0 "[ . 1 . 2 . 3]" 3
319 1 22 PRO HA 1 22 PRO QG 3.000 . 3.800 3.302 3.182 3.411 . 0 0 "[ . 1 . 2 . 3]" 3
320 1 24 PRO HA 1 24 PRO QD 3.000 . 3.800 3.203 3.048 3.390 . 0 0 "[ . 1 . 2 . 3]" 3
321 1 52 VAL QG 1 75 LEU QB 3.000 . 4.300 3.343 1.929 4.411 0.111 13 0 "[ . 1 . 2 . 3]" 3
322 1 42 GLU QB 1 63 ILE MD 3.000 . 4.300 2.298 1.678 3.409 0.122 27 0 "[ . 1 . 2 . 3]" 3
323 1 34 ASN QD 1 66 ILE MG 3.000 . 4.300 1.841 1.743 1.998 0.057 20 0 "[ . 1 . 2 . 3]" 3
324 1 41 LEU QB 1 46 PHE QE 4.000 . 5.500 3.822 1.828 5.127 . 0 0 "[ . 1 . 2 . 3]" 3
325 1 25 ILE MD 1 46 PHE QD 4.000 . 6.000 2.318 1.777 2.635 0.023 11 0 "[ . 1 . 2 . 3]" 3
326 1 41 LEU QB 1 46 PHE QD 4.000 . 6.000 3.466 2.733 4.259 . 0 0 "[ . 1 . 2 . 3]" 3
327 1 25 ILE MD 1 46 PHE QD 4.000 . 6.000 4.567 4.053 5.351 . 0 0 "[ . 1 . 2 . 3]" 3
328 1 43 GLU QB 1 46 PHE QE 4.000 . 5.500 3.277 1.849 4.504 . 0 0 "[ . 1 . 2 . 3]" 3
329 1 40 LYS HA 1 46 PHE QD 4.000 . 5.500 2.712 1.847 3.295 . 0 0 "[ . 1 . 2 . 3]" 3
330 1 41 LEU QD 1 46 PHE QD 4.000 . 6.000 2.322 1.778 2.648 0.022 11 0 "[ . 1 . 2 . 3]" 3
331 1 25 ILE MG 1 46 PHE QD 4.000 . 6.000 4.033 3.320 4.776 . 0 0 "[ . 1 . 2 . 3]" 3
332 1 40 LYS HA 1 46 PHE QE 4.000 . 5.500 3.220 2.570 3.693 . 0 0 "[ . 1 . 2 . 3]" 3
333 1 46 PHE QE 1 50 GLU QB 4.000 . 5.500 2.835 1.843 3.513 . 0 0 "[ . 1 . 2 . 3]" 3
334 1 41 LEU QB 1 46 PHE QD 4.000 . 5.500 4.087 2.359 5.555 0.055 11 0 "[ . 1 . 2 . 3]" 3
335 1 46 PHE QB 1 46 PHE QE 4.000 . 5.500 3.667 3.225 3.954 . 0 0 "[ . 1 . 2 . 3]" 3
336 1 25 ILE MD 1 47 HIS HA 4.000 . 6.500 2.650 1.747 4.749 0.053 27 0 "[ . 1 . 2 . 3]" 3
337 1 46 PHE QE 1 56 PRO QD 4.000 . 6.000 5.313 4.877 5.887 . 0 0 "[ . 1 . 2 . 3]" 3
338 1 49 VAL HB 1 54 TYR QE 4.000 . 6.000 5.023 3.251 5.952 . 0 0 "[ . 1 . 2 . 3]" 3
339 1 46 PHE QB 1 54 TYR QE 4.000 . 6.000 3.941 3.575 3.989 . 0 0 "[ . 1 . 2 . 3]" 3
340 1 45 GLY QA 1 46 PHE QE 4.000 . 6.000 4.155 3.065 4.849 . 0 0 "[ . 1 . 2 . 3]" 3
341 1 46 PHE QB 1 54 TYR QE 4.000 . 6.000 4.012 3.158 5.407 . 0 0 "[ . 1 . 2 . 3]" 3
342 1 33 ILE MG 1 41 LEU QD 4.000 . 6.500 3.726 3.423 3.972 . 0 0 "[ . 1 . 2 . 3]" 3
343 1 29 GLU HA 1 40 LYS QB 4.000 . 6.000 5.230 4.933 5.526 . 0 0 "[ . 1 . 2 . 3]" 3
344 1 40 LYS HA 1 43 GLU QG 4.000 . 6.000 3.960 2.366 4.716 . 0 0 "[ . 1 . 2 . 3]" 3
345 1 26 SER HA 1 27 ARG QB 4.000 . 6.000 4.567 4.186 4.920 . 0 0 "[ . 1 . 2 . 3]" 3
346 1 33 ILE HA 1 34 ASN QB 4.000 . 6.000 4.369 4.179 4.662 . 0 0 "[ . 1 . 2 . 3]" 3
347 1 56 PRO QB 1 59 GLU QG 4.000 . 6.000 3.861 2.898 4.554 . 0 0 "[ . 1 . 2 . 3]" 3
348 1 61 ILE H 1 66 ILE HB 4.000 . 6.000 4.799 4.652 5.048 . 0 0 "[ . 1 . 2 . 3]" 3
349 1 34 ASN QD 1 76 ALA MB 4.000 . 6.500 4.690 4.288 4.971 . 0 0 "[ . 1 . 2 . 3]" 3
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