NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
394274 |
1r57   |
5845 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1r57
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 701
_Distance_constraint_stats_list.Viol_count 387
_Distance_constraint_stats_list.Viol_total 163.997
_Distance_constraint_stats_list.Viol_max 0.111
_Distance_constraint_stats_list.Viol_rms 0.0045
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0212
_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 4 LEU 0.143 0.076 5 0 "[ . 1 . 2]"
1 5 GLU 0.100 0.076 5 0 "[ . 1 . 2]"
1 6 ILE 0.099 0.031 6 0 "[ . 1 . 2]"
1 7 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLN 0.216 0.054 7 0 "[ . 1 . 2]"
1 9 GLY 0.282 0.054 7 0 "[ . 1 . 2]"
1 10 GLU 0.013 0.008 7 0 "[ . 1 . 2]"
1 11 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LYS 0.457 0.046 7 0 "[ . 1 . 2]"
1 13 PHE 0.031 0.013 2 0 "[ . 1 . 2]"
1 14 TYR 0.118 0.061 8 0 "[ . 1 . 2]"
1 15 ILE 0.318 0.041 5 0 "[ . 1 . 2]"
1 16 GLY 0.053 0.053 19 0 "[ . 1 . 2]"
1 17 ASP 0.095 0.053 19 0 "[ . 1 . 2]"
1 18 ASP 0.082 0.042 15 0 "[ . 1 . 2]"
1 19 GLU 0.110 0.061 8 0 "[ . 1 . 2]"
1 20 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ASN 0.279 0.056 18 0 "[ . 1 . 2]"
1 22 ALA 0.258 0.056 18 0 "[ . 1 . 2]"
1 23 LEU 0.082 0.031 2 0 "[ . 1 . 2]"
1 24 ALA 0.210 0.038 16 0 "[ . 1 . 2]"
1 25 GLU 0.232 0.045 13 0 "[ . 1 . 2]"
1 26 ILE 0.185 0.033 4 0 "[ . 1 . 2]"
1 27 THR 0.930 0.045 13 0 "[ . 1 . 2]"
1 28 TYR 0.473 0.032 2 0 "[ . 1 . 2]"
1 29 ARG 0.384 0.111 9 0 "[ . 1 . 2]"
1 30 PHE 0.425 0.111 9 0 "[ . 1 . 2]"
1 31 VAL 0.046 0.024 6 0 "[ . 1 . 2]"
1 32 ASP 0.162 0.052 8 0 "[ . 1 . 2]"
1 33 ASN 0.311 0.071 2 0 "[ . 1 . 2]"
1 34 ASN 0.226 0.071 2 0 "[ . 1 . 2]"
1 35 GLU 0.036 0.018 19 0 "[ . 1 . 2]"
1 36 ILE 0.167 0.092 2 0 "[ . 1 . 2]"
1 37 ASN 0.023 0.011 18 0 "[ . 1 . 2]"
1 38 ILE 0.268 0.032 11 0 "[ . 1 . 2]"
1 39 ASP 0.030 0.016 20 0 "[ . 1 . 2]"
1 40 HIS 0.344 0.095 20 0 "[ . 1 . 2]"
1 41 THR 0.104 0.033 10 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 VAL 0.250 0.042 8 0 "[ . 1 . 2]"
1 44 SER 0.966 0.098 7 0 "[ . 1 . 2]"
1 45 ASP 1.119 0.098 7 0 "[ . 1 . 2]"
1 46 GLU 0.200 0.081 1 0 "[ . 1 . 2]"
1 47 LEU 0.198 0.047 16 0 "[ . 1 . 2]"
1 48 GLY 0.097 0.047 16 0 "[ . 1 . 2]"
1 50 GLN 0.063 0.021 20 0 "[ . 1 . 2]"
1 52 VAL 0.287 0.042 8 0 "[ . 1 . 2]"
1 53 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LYS 0.004 0.003 2 0 "[ . 1 . 2]"
1 55 LYS 0.060 0.025 15 0 "[ . 1 . 2]"
1 56 LEU 0.089 0.038 16 0 "[ . 1 . 2]"
1 57 LEU 0.184 0.039 14 0 "[ . 1 . 2]"
1 58 LYS 0.042 0.015 16 0 "[ . 1 . 2]"
1 59 ALA 0.141 0.046 13 0 "[ . 1 . 2]"
1 60 VAL 0.156 0.032 2 0 "[ . 1 . 2]"
1 61 VAL 0.100 0.016 2 0 "[ . 1 . 2]"
1 62 GLU 0.199 0.046 13 0 "[ . 1 . 2]"
1 63 HIS 0.301 0.092 2 0 "[ . 1 . 2]"
1 64 ALA 0.048 0.023 14 0 "[ . 1 . 2]"
1 65 ARG 0.036 0.023 17 0 "[ . 1 . 2]"
1 66 GLU 0.067 0.042 2 0 "[ . 1 . 2]"
1 67 ASN 0.277 0.042 2 0 "[ . 1 . 2]"
1 68 ASN 0.103 0.049 11 0 "[ . 1 . 2]"
1 69 LEU 0.325 0.049 11 0 "[ . 1 . 2]"
1 70 LYS 0.147 0.061 11 0 "[ . 1 . 2]"
1 71 ILE 0.258 0.030 3 0 "[ . 1 . 2]"
1 72 ILE 0.069 0.020 16 0 "[ . 1 . 2]"
1 73 ALA 0.086 0.037 16 0 "[ . 1 . 2]"
1 74 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 CYS 0.513 0.095 20 0 "[ . 1 . 2]"
1 76 SER 0.028 0.028 6 0 "[ . 1 . 2]"
1 77 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ALA 0.266 0.041 1 0 "[ . 1 . 2]"
1 79 LYS 0.040 0.028 6 0 "[ . 1 . 2]"
1 80 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 MET 0.260 0.033 4 0 "[ . 1 . 2]"
1 82 LEU 0.095 0.026 11 0 "[ . 1 . 2]"
1 83 GLU 0.094 0.043 4 0 "[ . 1 . 2]"
1 84 LYS 0.014 0.014 17 0 "[ . 1 . 2]"
1 85 GLU 0.052 0.027 2 0 "[ . 1 . 2]"
1 86 ASP 0.140 0.042 11 0 "[ . 1 . 2]"
1 87 SER 0.015 0.015 2 0 "[ . 1 . 2]"
1 88 TYR 0.168 0.027 2 0 "[ . 1 . 2]"
1 89 GLN 0.172 0.042 11 0 "[ . 1 . 2]"
1 90 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 VAL 0.096 0.023 17 0 "[ . 1 . 2]"
1 92 TYR 0.193 0.043 4 0 "[ . 1 . 2]"
1 93 LEU 0.485 0.066 12 0 "[ . 1 . 2]"
1 94 GLY 0.297 0.066 12 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 LEU H 1 5 GLU H 4.000 . 4.000 3.158 1.898 4.076 0.076 5 0 "[ . 1 . 2]" 1
2 1 4 LEU HA 1 15 ILE MG 4.000 . 4.000 2.594 1.821 3.298 . 0 0 "[ . 1 . 2]" 1
3 1 4 LEU HA 1 15 ILE MD 5.000 . 5.000 4.158 2.879 5.025 0.025 7 0 "[ . 1 . 2]" 1
4 1 4 LEU MD2 1 15 ILE MG 5.000 . 5.000 3.254 2.093 5.013 0.013 1 0 "[ . 1 . 2]" 1
5 1 5 GLU H 1 5 GLU QG 5.000 . 5.000 3.033 1.793 4.043 0.007 11 0 "[ . 1 . 2]" 1
6 1 5 GLU HA 1 6 ILE H 3.000 . 3.000 2.283 2.131 2.654 . 0 0 "[ . 1 . 2]" 1
7 1 5 GLU QB 1 6 ILE H 4.000 . 4.000 2.948 1.873 3.762 . 0 0 "[ . 1 . 2]" 1
8 1 5 GLU H 1 15 ILE MG 5.000 . 5.000 3.462 2.485 4.821 . 0 0 "[ . 1 . 2]" 1
9 1 6 ILE H 1 6 ILE HB 3.000 . 3.000 2.562 2.498 2.615 . 0 0 "[ . 1 . 2]" 1
10 1 6 ILE H 1 6 ILE MD 4.000 . 4.000 3.640 3.493 3.823 . 0 0 "[ . 1 . 2]" 1
11 1 6 ILE HA 1 7 LYS H 3.000 . 3.000 2.165 2.127 2.230 . 0 0 "[ . 1 . 2]" 1
12 1 6 ILE QG 1 7 LYS H 5.000 . 5.000 4.321 4.200 4.418 . 0 0 "[ . 1 . 2]" 1
13 1 6 ILE MG 1 7 LYS H 4.000 . 4.000 3.112 2.773 3.405 . 0 0 "[ . 1 . 2]" 1
14 1 6 ILE MG 1 13 PHE HA 5.000 . 5.000 3.513 3.113 4.313 . 0 0 "[ . 1 . 2]" 1
15 1 6 ILE MG 1 13 PHE HB2 5.000 . 5.000 3.557 3.143 4.188 . 0 0 "[ . 1 . 2]" 1
16 1 6 ILE MG 1 13 PHE HB3 5.000 . 5.000 2.217 1.807 2.812 . 0 0 "[ . 1 . 2]" 1
17 1 6 ILE MG 1 13 PHE QD 4.000 . 4.000 2.608 1.925 3.145 . 0 0 "[ . 1 . 2]" 1
18 1 6 ILE MG 1 14 TYR H 5.000 . 5.000 3.476 3.062 4.006 . 0 0 "[ . 1 . 2]" 1
19 1 6 ILE MG 1 56 LEU HA 5.000 . 5.000 3.811 3.315 4.430 . 0 0 "[ . 1 . 2]" 1
20 1 6 ILE MD 1 56 LEU HA 5.000 . 5.000 3.130 2.011 4.276 . 0 0 "[ . 1 . 2]" 1
21 1 6 ILE MD 1 58 LYS QE 5.000 . 5.000 4.460 3.841 5.015 0.015 16 0 "[ . 1 . 2]" 1
22 1 6 ILE MD 1 59 ALA H 5.000 . 5.000 4.033 3.117 4.839 . 0 0 "[ . 1 . 2]" 1
23 1 6 ILE MD 1 59 ALA MB 5.000 . 5.000 2.406 1.793 3.324 0.007 10 0 "[ . 1 . 2]" 1
24 1 6 ILE HA 1 15 ILE MD 4.000 . 4.000 3.328 2.231 4.023 0.023 20 0 "[ . 1 . 2]" 1
25 1 6 ILE MG 1 56 LEU MD2 5.000 . 5.000 2.489 2.171 3.231 . 0 0 "[ . 1 . 2]" 1
26 1 6 ILE MD 1 56 LEU MD2 5.000 . 5.000 2.912 2.228 4.437 . 0 0 "[ . 1 . 2]" 1
27 1 6 ILE HA 1 15 ILE QG 5.000 . 5.000 2.154 1.868 2.926 . 0 0 "[ . 1 . 2]" 1
28 1 6 ILE MG 1 13 PHE QE 5.000 . 5.000 3.942 3.373 4.496 . 0 0 "[ . 1 . 2]" 1
29 1 6 ILE HA 1 15 ILE MG 5.000 . 5.000 3.986 3.629 4.860 . 0 0 "[ . 1 . 2]" 1
30 1 6 ILE MD 1 55 LYS QB 5.000 . 5.000 3.365 2.226 4.620 . 0 0 "[ . 1 . 2]" 1
31 1 6 ILE HA 1 15 ILE HA 5.000 . 5.000 3.454 2.598 4.804 . 0 0 "[ . 1 . 2]" 1
32 1 6 ILE MG 1 59 ALA MB 5.000 . 5.000 3.156 2.091 4.037 . 0 0 "[ . 1 . 2]" 1
33 1 6 ILE QG 1 15 ILE MD 5.000 . 5.000 2.162 1.769 3.381 0.031 6 0 "[ . 1 . 2]" 1
34 1 7 LYS H 1 8 GLN H 5.000 . 5.000 4.473 4.360 4.603 . 0 0 "[ . 1 . 2]" 1
35 1 7 LYS H 1 14 TYR H 4.000 . 4.000 3.437 3.173 3.814 . 0 0 "[ . 1 . 2]" 1
36 1 7 LYS HA 1 8 GLN H 3.000 . 3.000 2.187 2.111 2.376 . 0 0 "[ . 1 . 2]" 1
37 1 7 LYS QB 1 8 GLN H 4.000 . 4.000 3.178 2.489 3.855 . 0 0 "[ . 1 . 2]" 1
38 1 7 LYS QB 1 14 TYR QE 5.000 . 5.000 2.898 2.605 3.213 . 0 0 "[ . 1 . 2]" 1
39 1 8 GLN H 1 9 GLY H 5.000 . 5.000 4.482 4.376 4.597 . 0 0 "[ . 1 . 2]" 1
40 1 8 GLN HA 1 9 GLY H 3.000 . 3.000 2.171 2.103 2.309 . 0 0 "[ . 1 . 2]" 1
41 1 8 GLN HA 1 13 PHE HA 4.000 . 4.000 2.708 2.212 3.855 . 0 0 "[ . 1 . 2]" 1
42 1 8 GLN HA 1 14 TYR H 5.000 . 5.000 3.746 3.321 4.722 . 0 0 "[ . 1 . 2]" 1
43 1 8 GLN HG2 1 9 GLY H 5.000 . 5.000 4.457 3.202 5.054 0.054 7 0 "[ . 1 . 2]" 1
44 1 8 GLN HG3 1 9 GLY H 5.000 . 5.000 4.133 3.126 5.033 0.033 18 0 "[ . 1 . 2]" 1
45 1 8 GLN QB 1 13 PHE QD 5.000 . 5.000 2.992 2.409 4.606 . 0 0 "[ . 1 . 2]" 1
46 1 8 GLN QB 1 13 PHE QE 5.000 . 5.000 2.610 1.853 3.985 . 0 0 "[ . 1 . 2]" 1
47 1 9 GLY H 1 10 GLU H 5.000 . 5.000 4.305 4.080 4.446 . 0 0 "[ . 1 . 2]" 1
48 1 9 GLY H 1 12 LYS H 5.000 . 5.000 3.332 2.851 3.902 . 0 0 "[ . 1 . 2]" 1
49 1 9 GLY H 1 12 LYS QG 5.000 . 5.000 3.185 2.398 4.513 . 0 0 "[ . 1 . 2]" 1
50 1 9 GLY H 1 13 PHE HA 4.000 . 4.000 3.266 2.940 3.684 . 0 0 "[ . 1 . 2]" 1
51 1 9 GLY HA2 1 10 GLU H 3.000 . 3.000 2.674 2.174 2.966 . 0 0 "[ . 1 . 2]" 1
52 1 9 GLY HA3 1 10 GLU H 3.000 . 3.000 2.481 2.220 3.008 0.008 7 0 "[ . 1 . 2]" 1
53 1 9 GLY QA 1 12 LYS QG 5.000 . 5.000 2.651 1.990 5.046 0.046 7 0 "[ . 1 . 2]" 1
54 1 9 GLY QA 1 14 TYR QE 5.000 . 5.000 2.521 1.788 3.198 0.012 20 0 "[ . 1 . 2]" 1
55 1 9 GLY H 1 14 TYR QE 5.000 . 5.000 3.696 3.028 4.323 . 0 0 "[ . 1 . 2]" 1
56 1 10 GLU H 1 11 ASN H 5.000 . 5.000 4.188 3.002 4.408 . 0 0 "[ . 1 . 2]" 1
57 1 10 GLU HA 1 11 ASN H 3.000 . 3.000 2.208 2.097 2.712 . 0 0 "[ . 1 . 2]" 1
58 1 10 GLU HA 1 12 LYS H 5.000 . 5.000 3.901 3.606 4.358 . 0 0 "[ . 1 . 2]" 1
59 1 10 GLU HA 1 11 ASN HA 5.000 . 5.000 4.392 4.297 4.682 . 0 0 "[ . 1 . 2]" 1
60 1 10 GLU H 1 10 GLU QG 5.000 . 5.000 2.722 1.795 3.984 0.005 10 0 "[ . 1 . 2]" 1
61 1 10 GLU QB 1 11 ASN H 5.000 . 5.000 3.721 3.390 4.056 . 0 0 "[ . 1 . 2]" 1
62 1 11 ASN H 1 11 ASN HA 2.800 . 2.800 2.268 2.247 2.278 . 0 0 "[ . 1 . 2]" 1
63 1 11 ASN H 1 12 LYS H 3.000 . 3.000 2.685 2.546 2.924 . 0 0 "[ . 1 . 2]" 1
64 1 11 ASN HA 1 28 TYR QE 5.000 . 5.000 3.797 2.832 4.687 . 0 0 "[ . 1 . 2]" 1
65 1 12 LYS HA 1 13 PHE H 4.000 . 4.000 2.203 2.129 2.377 . 0 0 "[ . 1 . 2]" 1
66 1 12 LYS HA 1 27 THR MG 5.000 . 5.000 3.072 2.118 3.815 . 0 0 "[ . 1 . 2]" 1
67 1 12 LYS HA 1 28 TYR QE 5.000 . 5.000 3.827 2.943 4.836 . 0 0 "[ . 1 . 2]" 1
68 1 12 LYS QG 1 14 TYR QD 5.000 . 5.000 2.632 1.791 4.078 0.009 7 0 "[ . 1 . 2]" 1
69 1 12 LYS QB 1 27 THR MG 5.000 . 5.000 1.796 1.756 2.029 0.044 16 0 "[ . 1 . 2]" 1
70 1 12 LYS QD 1 27 THR MG 5.000 . 5.000 3.162 2.037 3.901 . 0 0 "[ . 1 . 2]" 1
71 1 12 LYS QE 1 27 THR MG 5.000 . 5.000 3.557 2.358 4.998 . 0 0 "[ . 1 . 2]" 1
72 1 12 LYS QB 1 28 TYR H 5.000 . 5.000 4.169 3.280 5.017 0.017 4 0 "[ . 1 . 2]" 1
73 1 12 LYS QD 1 14 TYR QD 5.000 . 5.000 3.301 2.168 4.272 . 0 0 "[ . 1 . 2]" 1
74 1 12 LYS QD 1 14 TYR QE 5.000 . 5.000 3.962 2.510 5.019 0.019 8 0 "[ . 1 . 2]" 1
75 1 12 LYS HA 1 27 THR HA 4.000 . 4.000 2.313 2.127 2.633 . 0 0 "[ . 1 . 2]" 1
76 1 12 LYS HA 1 28 TYR H 5.000 . 5.000 3.352 2.832 3.885 . 0 0 "[ . 1 . 2]" 1
77 1 12 LYS HA 1 27 THR HB 5.000 . 5.000 4.294 3.708 4.867 . 0 0 "[ . 1 . 2]" 1
78 1 12 LYS H 1 12 LYS QG 5.000 . 5.000 2.619 2.310 3.902 . 0 0 "[ . 1 . 2]" 1
79 1 12 LYS QB 1 13 PHE H 4.000 . 4.000 2.875 2.368 3.781 . 0 0 "[ . 1 . 2]" 1
80 1 13 PHE H 1 26 ILE H 4.000 . 4.000 3.126 2.847 3.537 . 0 0 "[ . 1 . 2]" 1
81 1 13 PHE H 1 26 ILE MG 4.000 . 4.000 2.671 2.448 3.002 . 0 0 "[ . 1 . 2]" 1
82 1 13 PHE H 1 27 THR HA 4.000 . 4.000 3.574 3.292 4.013 0.013 10 0 "[ . 1 . 2]" 1
83 1 13 PHE HA 1 14 TYR H 3.000 . 3.000 2.204 2.137 2.327 . 0 0 "[ . 1 . 2]" 1
84 1 13 PHE HA 1 14 TYR QD 5.000 . 5.000 3.286 2.948 3.577 . 0 0 "[ . 1 . 2]" 1
85 1 13 PHE HA 1 26 ILE MG 5.000 . 5.000 4.331 4.169 4.598 . 0 0 "[ . 1 . 2]" 1
86 1 13 PHE HB2 1 26 ILE MG 5.000 . 5.000 2.223 1.899 2.558 . 0 0 "[ . 1 . 2]" 1
87 1 13 PHE HB3 1 26 ILE MG 5.000 . 5.000 3.451 3.092 3.822 . 0 0 "[ . 1 . 2]" 1
88 1 13 PHE QD 1 26 ILE MG 5.000 . 5.000 2.865 2.438 3.241 . 0 0 "[ . 1 . 2]" 1
89 1 13 PHE QD 1 28 TYR QE 5.000 . 5.000 3.051 1.926 3.495 . 0 0 "[ . 1 . 2]" 1
90 1 13 PHE QE 1 28 TYR QE 5.000 . 5.000 2.520 1.787 3.486 0.013 2 0 "[ . 1 . 2]" 1
91 1 13 PHE QD 1 59 ALA MB 5.000 . 5.000 3.793 2.806 4.474 . 0 0 "[ . 1 . 2]" 1
92 1 13 PHE QE 1 60 VAL HA 5.000 . 5.000 3.412 2.688 4.583 . 0 0 "[ . 1 . 2]" 1
93 1 13 PHE QD 1 60 VAL MG2 4.000 . 4.000 2.460 2.030 3.137 . 0 0 "[ . 1 . 2]" 1
94 1 13 PHE QE 1 60 VAL MG2 5.000 . 5.000 2.902 2.331 3.861 . 0 0 "[ . 1 . 2]" 1
95 1 13 PHE QB 1 26 ILE H 5.000 . 5.000 3.684 3.316 4.265 . 0 0 "[ . 1 . 2]" 1
96 1 13 PHE QB 1 56 LEU MD2 5.000 . 5.000 2.419 2.010 2.942 . 0 0 "[ . 1 . 2]" 1
97 1 13 PHE H 1 27 THR MG 5.000 . 5.000 4.124 3.410 4.843 . 0 0 "[ . 1 . 2]" 1
98 1 13 PHE H 1 28 TYR QE 5.000 . 5.000 4.252 2.911 4.985 . 0 0 "[ . 1 . 2]" 1
99 1 13 PHE QB 1 14 TYR H 4.000 . 4.000 3.200 2.733 3.573 . 0 0 "[ . 1 . 2]" 1
100 1 14 TYR HA 1 15 ILE H 3.000 . 3.000 2.156 2.090 2.273 . 0 0 "[ . 1 . 2]" 1
101 1 14 TYR HA 1 26 ILE H 5.000 . 5.000 3.390 3.090 3.695 . 0 0 "[ . 1 . 2]" 1
102 1 14 TYR HA 1 24 ALA MB 5.000 . 5.000 4.294 3.098 4.718 . 0 0 "[ . 1 . 2]" 1
103 1 14 TYR HA 1 56 LEU MD2 5.000 . 5.000 3.298 2.692 3.866 . 0 0 "[ . 1 . 2]" 1
104 1 14 TYR QD 1 19 GLU QG 5.000 . 5.000 4.229 3.062 5.061 0.061 8 0 "[ . 1 . 2]" 1
105 1 14 TYR QE 1 19 GLU QG 5.000 . 5.000 3.170 2.046 4.573 . 0 0 "[ . 1 . 2]" 1
106 1 14 TYR HA 1 22 ALA MB 5.000 . 5.000 4.095 3.632 4.871 . 0 0 "[ . 1 . 2]" 1
107 1 14 TYR QD 1 22 ALA MB 5.000 . 5.000 2.795 2.253 3.622 . 0 0 "[ . 1 . 2]" 1
108 1 14 TYR QE 1 22 ALA MB 5.000 . 5.000 4.266 3.804 4.938 . 0 0 "[ . 1 . 2]" 1
109 1 14 TYR HB3 1 22 ALA MB 5.000 . 5.000 3.473 3.076 4.103 . 0 0 "[ . 1 . 2]" 1
110 1 14 TYR HB2 1 22 ALA MB 5.000 . 5.000 2.362 1.850 3.169 . 0 0 "[ . 1 . 2]" 1
111 1 14 TYR HA 1 25 GLU HA 4.000 . 4.000 2.118 1.831 2.741 . 0 0 "[ . 1 . 2]" 1
112 1 14 TYR QD 1 19 GLU HA 5.000 . 5.000 3.516 2.777 4.343 . 0 0 "[ . 1 . 2]" 1
113 1 14 TYR QE 1 19 GLU HA 5.000 . 5.000 3.217 2.328 4.548 . 0 0 "[ . 1 . 2]" 1
114 1 15 ILE H 1 16 GLY H 5.000 . 5.000 4.313 4.147 4.444 . 0 0 "[ . 1 . 2]" 1
115 1 15 ILE H 1 24 ALA H 4.000 . 4.000 3.209 2.874 3.569 . 0 0 "[ . 1 . 2]" 1
116 1 15 ILE H 1 25 GLU HA 4.000 . 4.000 3.451 3.034 4.028 0.028 14 0 "[ . 1 . 2]" 1
117 1 15 ILE HA 1 16 GLY H 3.000 . 3.000 2.142 2.047 2.306 . 0 0 "[ . 1 . 2]" 1
118 1 15 ILE MG 1 16 GLY H 4.000 . 4.000 2.785 2.201 3.225 . 0 0 "[ . 1 . 2]" 1
119 1 15 ILE HB 1 24 ALA H 5.000 . 5.000 3.671 3.234 4.269 . 0 0 "[ . 1 . 2]" 1
120 1 15 ILE MD 1 56 LEU MD2 5.000 . 5.000 2.475 2.232 2.725 . 0 0 "[ . 1 . 2]" 1
121 1 15 ILE MD 1 52 VAL MG1 4.000 . 4.000 2.164 1.759 3.583 0.041 5 0 "[ . 1 . 2]" 1
122 1 15 ILE MD 1 52 VAL MG2 5.000 . 5.000 3.732 2.791 5.008 0.008 13 0 "[ . 1 . 2]" 1
123 1 15 ILE MD 1 24 ALA MB 5.000 . 5.000 3.316 2.568 4.170 . 0 0 "[ . 1 . 2]" 1
124 1 15 ILE H 1 22 ALA MB 5.000 . 5.000 3.859 2.844 4.455 . 0 0 "[ . 1 . 2]" 1
125 1 16 GLY H 1 17 ASP H 5.000 . 5.000 4.333 4.267 4.392 . 0 0 "[ . 1 . 2]" 1
126 1 16 GLY HA3 1 17 ASP H 3.000 . 3.000 2.608 2.244 3.053 0.053 19 0 "[ . 1 . 2]" 1
127 1 16 GLY HA2 1 17 ASP H 3.000 . 3.000 2.525 2.078 3.000 . 0 0 "[ . 1 . 2]" 1
128 1 16 GLY QA 1 22 ALA HA 4.000 . 4.000 2.233 1.833 2.982 . 0 0 "[ . 1 . 2]" 1
129 1 16 GLY HA2 1 23 LEU H 5.000 . 5.000 3.143 2.215 3.671 . 0 0 "[ . 1 . 2]" 1
130 1 16 GLY HA3 1 23 LEU H 5.000 . 5.000 2.664 2.055 3.268 . 0 0 "[ . 1 . 2]" 1
131 1 16 GLY QA 1 23 LEU MD1 5.000 . 5.000 3.111 2.091 3.965 . 0 0 "[ . 1 . 2]" 1
132 1 16 GLY QA 1 18 ASP H 5.000 . 5.000 3.316 2.944 3.794 . 0 0 "[ . 1 . 2]" 1
133 1 17 ASP H 1 18 ASP H 3.000 . 3.000 2.408 1.837 2.666 . 0 0 "[ . 1 . 2]" 1
134 1 17 ASP H 1 22 ALA HA 5.000 . 5.000 4.136 3.489 4.725 . 0 0 "[ . 1 . 2]" 1
135 1 17 ASP H 1 23 LEU H 5.000 . 5.000 4.395 3.328 5.007 0.007 20 0 "[ . 1 . 2]" 1
136 1 17 ASP H 1 23 LEU MD1 5.000 . 5.000 4.117 3.177 5.015 0.015 5 0 "[ . 1 . 2]" 1
137 1 18 ASP H 1 19 GLU H 5.000 . 5.000 4.373 4.267 4.476 . 0 0 "[ . 1 . 2]" 1
138 1 18 ASP H 1 21 ASN H 4.000 . 4.000 3.460 2.960 4.042 0.042 15 0 "[ . 1 . 2]" 1
139 1 18 ASP H 1 21 ASN QB 5.000 . 5.000 2.745 1.782 5.014 0.018 17 0 "[ . 1 . 2]" 1
140 1 18 ASP H 1 22 ALA HA 5.000 . 5.000 4.119 3.349 4.810 . 0 0 "[ . 1 . 2]" 1
141 1 18 ASP QB 1 19 GLU H 4.000 . 4.000 3.118 2.018 3.546 . 0 0 "[ . 1 . 2]" 1
142 1 18 ASP HA 1 20 ASN H 5.000 . 5.000 4.233 4.087 4.635 . 0 0 "[ . 1 . 2]" 1
143 1 19 GLU H 1 20 ASN H 4.000 . 4.000 2.523 2.266 2.699 . 0 0 "[ . 1 . 2]" 1
144 1 19 GLU H 1 21 ASN H 5.000 . 5.000 3.902 3.679 4.457 . 0 0 "[ . 1 . 2]" 1
145 1 19 GLU HA 1 22 ALA MB 5.000 . 5.000 2.914 1.848 3.399 . 0 0 "[ . 1 . 2]" 1
146 1 19 GLU H 1 19 GLU QG 4.000 . 4.000 2.932 1.783 4.023 0.023 6 0 "[ . 1 . 2]" 1
147 1 19 GLU QB 1 20 ASN H 4.000 . 4.000 2.840 2.559 3.737 . 0 0 "[ . 1 . 2]" 1
148 1 20 ASN H 1 21 ASN H 3.000 . 3.000 2.424 2.213 2.710 . 0 0 "[ . 1 . 2]" 1
149 1 20 ASN QB 1 21 ASN H 4.000 . 4.000 2.923 2.308 3.635 . 0 0 "[ . 1 . 2]" 1
150 1 21 ASN H 1 22 ALA H 3.000 . 3.000 2.866 2.302 3.056 0.056 18 0 "[ . 1 . 2]" 1
151 1 21 ASN H 1 22 ALA MB 5.000 . 5.000 4.130 3.689 4.387 . 0 0 "[ . 1 . 2]" 1
152 1 21 ASN QB 1 22 ALA H 5.000 . 5.000 3.878 3.725 4.031 . 0 0 "[ . 1 . 2]" 1
153 1 21 ASN HA 1 22 ALA H 3.000 . 3.000 2.750 2.331 2.981 . 0 0 "[ . 1 . 2]" 1
154 1 22 ALA H 1 23 LEU H 5.000 . 5.000 4.383 4.083 4.619 . 0 0 "[ . 1 . 2]" 1
155 1 22 ALA HA 1 23 LEU H 3.000 . 3.000 2.163 2.126 2.284 . 0 0 "[ . 1 . 2]" 1
156 1 22 ALA HA 1 24 ALA H 5.000 . 5.000 3.595 3.210 4.130 . 0 0 "[ . 1 . 2]" 1
157 1 22 ALA MB 1 24 ALA H 4.000 . 4.000 3.180 2.567 3.960 . 0 0 "[ . 1 . 2]" 1
158 1 22 ALA MB 1 25 GLU HB3 5.000 . 5.000 2.923 2.319 4.218 . 0 0 "[ . 1 . 2]" 1
159 1 22 ALA MB 1 25 GLU HB2 5.000 . 5.000 3.642 2.250 4.526 . 0 0 "[ . 1 . 2]" 1
160 1 22 ALA MB 1 25 GLU HG3 5.000 . 5.000 4.235 3.283 5.022 0.022 14 0 "[ . 1 . 2]" 1
161 1 22 ALA MB 1 25 GLU HG2 5.000 . 5.000 4.256 2.754 5.032 0.032 5 0 "[ . 1 . 2]" 1
162 1 22 ALA MB 1 25 GLU HA 5.000 . 5.000 4.145 3.571 4.833 . 0 0 "[ . 1 . 2]" 1
163 1 23 LEU H 1 23 LEU HG 4.000 . 4.000 2.553 2.170 3.627 . 0 0 "[ . 1 . 2]" 1
164 1 23 LEU H 1 24 ALA H 3.000 . 3.000 2.379 2.150 2.828 . 0 0 "[ . 1 . 2]" 1
165 1 23 LEU HA 1 23 LEU MD2 4.000 . 4.000 2.261 1.974 3.681 . 0 0 "[ . 1 . 2]" 1
166 1 23 LEU HG 1 24 ALA H 5.000 . 5.000 4.476 4.168 5.031 0.031 2 0 "[ . 1 . 2]" 1
167 1 23 LEU MD2 1 44 SER HB2 5.000 . 5.000 3.796 2.754 5.009 0.009 7 0 "[ . 1 . 2]" 1
168 1 23 LEU MD2 1 44 SER HB3 5.000 . 5.000 3.962 2.078 4.965 . 0 0 "[ . 1 . 2]" 1
169 1 23 LEU HA 1 24 ALA H 4.000 . 4.000 3.433 3.281 3.557 . 0 0 "[ . 1 . 2]" 1
170 1 24 ALA HA 1 25 GLU H 2.800 . 2.800 2.177 2.147 2.274 . 0 0 "[ . 1 . 2]" 1
171 1 24 ALA HA 1 43 VAL HA 4.000 . 4.000 2.183 1.771 2.718 0.029 1 0 "[ . 1 . 2]" 1
172 1 24 ALA HA 1 44 SER H 4.000 . 4.000 3.315 2.841 3.996 . 0 0 "[ . 1 . 2]" 1
173 1 24 ALA MB 1 43 VAL HA 4.000 . 4.000 2.684 2.013 4.003 0.003 16 0 "[ . 1 . 2]" 1
174 1 24 ALA MB 1 43 VAL MG1 5.000 . 5.000 2.337 1.911 3.790 . 0 0 "[ . 1 . 2]" 1
175 1 24 ALA MB 1 43 VAL MG2 5.000 . 5.000 2.177 1.781 3.958 0.019 10 0 "[ . 1 . 2]" 1
176 1 24 ALA MB 1 44 SER H 5.000 . 5.000 3.407 2.445 4.397 . 0 0 "[ . 1 . 2]" 1
177 1 24 ALA MB 1 56 LEU MD1 5.000 . 5.000 2.089 1.762 2.630 0.038 16 0 "[ . 1 . 2]" 1
178 1 24 ALA MB 1 52 VAL MG1 5.000 . 5.000 2.183 1.867 2.967 . 0 0 "[ . 1 . 2]" 1
179 1 24 ALA HA 1 43 VAL MG1 5.000 . 5.000 3.570 2.857 4.238 . 0 0 "[ . 1 . 2]" 1
180 1 24 ALA HA 1 43 VAL MG2 4.000 . 4.000 3.043 2.203 3.759 . 0 0 "[ . 1 . 2]" 1
181 1 24 ALA HA 1 56 LEU MD1 5.000 . 5.000 3.740 2.663 4.495 . 0 0 "[ . 1 . 2]" 1
182 1 24 ALA MB 1 25 GLU H 4.000 . 4.000 3.316 3.077 3.601 . 0 0 "[ . 1 . 2]" 1
183 1 25 GLU H 1 42 GLY H 4.000 . 4.000 3.202 2.828 3.664 . 0 0 "[ . 1 . 2]" 1
184 1 25 GLU H 1 56 LEU MD1 5.000 . 5.000 3.761 2.984 4.327 . 0 0 "[ . 1 . 2]" 1
185 1 25 GLU HA 1 26 ILE H 3.000 . 3.000 2.190 2.129 2.290 . 0 0 "[ . 1 . 2]" 1
186 1 25 GLU HA 1 56 LEU MD1 5.000 . 5.000 3.145 2.434 4.499 . 0 0 "[ . 1 . 2]" 1
187 1 25 GLU HA 1 56 LEU MD2 5.000 . 5.000 3.962 3.117 4.767 . 0 0 "[ . 1 . 2]" 1
188 1 25 GLU HB2 1 26 ILE H 5.000 . 5.000 3.318 2.621 4.363 . 0 0 "[ . 1 . 2]" 1
189 1 25 GLU HB3 1 26 ILE H 5.000 . 5.000 4.140 3.711 4.400 . 0 0 "[ . 1 . 2]" 1
190 1 25 GLU HG2 1 27 THR MG 5.000 . 5.000 3.936 2.384 5.031 0.031 19 0 "[ . 1 . 2]" 1
191 1 25 GLU HG3 1 27 THR MG 5.000 . 5.000 3.829 3.140 5.045 0.045 13 0 "[ . 1 . 2]" 1
192 1 25 GLU HG2 1 40 HIS HD2 5.000 . 5.000 3.292 1.932 4.849 . 0 0 "[ . 1 . 2]" 1
193 1 25 GLU HG3 1 40 HIS HD2 5.000 . 5.000 3.538 2.075 4.779 . 0 0 "[ . 1 . 2]" 1
194 1 25 GLU H 1 43 VAL HA 5.000 . 5.000 3.617 2.590 4.338 . 0 0 "[ . 1 . 2]" 1
195 1 25 GLU QB 1 42 GLY H 5.000 . 5.000 4.147 2.567 4.902 . 0 0 "[ . 1 . 2]" 1
196 1 25 GLU QB 1 26 ILE H 4.000 . 4.000 3.150 2.579 3.903 . 0 0 "[ . 1 . 2]" 1
197 1 26 ILE H 1 26 ILE MG 4.000 . 4.000 2.185 2.011 2.445 . 0 0 "[ . 1 . 2]" 1
198 1 26 ILE H 1 56 LEU MD1 5.000 . 5.000 3.208 2.657 4.501 . 0 0 "[ . 1 . 2]" 1
199 1 26 ILE HA 1 26 ILE HB 3.000 . 3.000 2.431 2.403 2.469 . 0 0 "[ . 1 . 2]" 1
200 1 26 ILE HA 1 27 THR H 2.800 . 2.800 2.162 2.122 2.253 . 0 0 "[ . 1 . 2]" 1
201 1 26 ILE HA 1 41 THR HA 4.000 . 4.000 2.350 2.009 2.770 . 0 0 "[ . 1 . 2]" 1
202 1 26 ILE HA 1 41 THR MG 5.000 . 5.000 3.148 2.588 3.882 . 0 0 "[ . 1 . 2]" 1
203 1 26 ILE HA 1 42 GLY H 5.000 . 5.000 3.553 3.110 4.067 . 0 0 "[ . 1 . 2]" 1
204 1 26 ILE HB 1 41 THR MG 5.000 . 5.000 2.402 1.798 3.148 0.002 12 0 "[ . 1 . 2]" 1
205 1 26 ILE HB 1 56 LEU MD1 5.000 . 5.000 2.774 1.867 3.394 . 0 0 "[ . 1 . 2]" 1
206 1 26 ILE QG 1 27 THR H 4.000 . 4.000 2.652 2.363 3.016 . 0 0 "[ . 1 . 2]" 1
207 1 26 ILE MG 1 56 LEU QB 5.000 . 5.000 1.989 1.794 2.527 0.006 3 0 "[ . 1 . 2]" 1
208 1 26 ILE MG 1 56 LEU MD1 5.000 . 5.000 2.320 1.924 2.935 . 0 0 "[ . 1 . 2]" 1
209 1 26 ILE MG 1 56 LEU MD2 4.000 . 4.000 2.404 1.872 2.939 . 0 0 "[ . 1 . 2]" 1
210 1 26 ILE MG 1 60 VAL MG1 5.000 . 5.000 4.401 3.983 4.991 . 0 0 "[ . 1 . 2]" 1
211 1 26 ILE MG 1 60 VAL MG2 4.000 . 4.000 2.588 2.213 3.112 . 0 0 "[ . 1 . 2]" 1
212 1 26 ILE MD 1 27 THR H 5.000 . 5.000 4.325 4.041 4.669 . 0 0 "[ . 1 . 2]" 1
213 1 26 ILE MD 1 38 ILE MG 5.000 . 5.000 2.597 2.235 2.981 . 0 0 "[ . 1 . 2]" 1
214 1 26 ILE MD 1 41 THR HA 5.000 . 5.000 4.450 3.928 4.895 . 0 0 "[ . 1 . 2]" 1
215 1 26 ILE MD 1 56 LEU MD2 5.000 . 5.000 4.458 3.885 4.952 . 0 0 "[ . 1 . 2]" 1
216 1 26 ILE MD 1 57 LEU HA 4.000 . 4.000 3.005 2.060 3.618 . 0 0 "[ . 1 . 2]" 1
217 1 26 ILE MD 1 60 VAL MG1 5.000 . 5.000 3.279 2.895 3.702 . 0 0 "[ . 1 . 2]" 1
218 1 26 ILE MD 1 60 VAL MG2 4.000 . 4.000 2.032 1.797 2.475 0.003 7 0 "[ . 1 . 2]" 1
219 1 26 ILE MD 1 78 ALA MB 5.000 . 5.000 3.362 2.864 3.715 . 0 0 "[ . 1 . 2]" 1
220 1 26 ILE MD 1 81 MET ME 5.000 . 5.000 4.648 3.649 5.033 0.033 4 0 "[ . 1 . 2]" 1
221 1 26 ILE QG 1 41 THR MG 5.000 . 5.000 2.914 2.508 3.321 . 0 0 "[ . 1 . 2]" 1
222 1 26 ILE MD 1 38 ILE MD 5.000 . 5.000 2.903 1.837 4.153 . 0 0 "[ . 1 . 2]" 1
223 1 26 ILE MG 1 38 ILE MG 5.000 . 5.000 4.441 4.221 4.931 . 0 0 "[ . 1 . 2]" 1
224 1 26 ILE H 1 56 LEU MD2 5.000 . 5.000 3.804 3.028 4.587 . 0 0 "[ . 1 . 2]" 1
225 1 26 ILE MD 1 41 THR MG 5.000 . 5.000 2.796 2.374 3.211 . 0 0 "[ . 1 . 2]" 1
226 1 26 ILE MG 1 56 LEU HA 5.000 . 5.000 3.691 3.182 4.085 . 0 0 "[ . 1 . 2]" 1
227 1 26 ILE MD 1 57 LEU MD1 5.000 . 5.000 2.426 1.985 2.979 . 0 0 "[ . 1 . 2]" 1
228 1 26 ILE QG 1 60 VAL MG2 5.000 . 5.000 3.126 2.747 3.426 . 0 0 "[ . 1 . 2]" 1
229 1 26 ILE QG 1 38 ILE MG 5.000 . 5.000 2.244 2.004 2.692 . 0 0 "[ . 1 . 2]" 1
230 1 26 ILE HB 1 27 THR H 5.000 . 5.000 4.181 4.090 4.323 . 0 0 "[ . 1 . 2]" 1
231 1 27 THR HA 1 27 THR HB 2.800 . 2.800 2.500 2.440 2.561 . 0 0 "[ . 1 . 2]" 1
232 1 27 THR H 1 40 HIS H 5.000 . 5.000 3.187 2.729 3.838 . 0 0 "[ . 1 . 2]" 1
233 1 27 THR HA 1 28 TYR H 4.000 . 4.000 2.210 2.168 2.328 . 0 0 "[ . 1 . 2]" 1
234 1 27 THR HA 1 28 TYR QD 5.000 . 5.000 3.378 3.153 3.728 . 0 0 "[ . 1 . 2]" 1
235 1 27 THR HB 1 28 TYR H 3.000 . 3.000 2.977 2.626 3.031 0.031 13 0 "[ . 1 . 2]" 1
236 1 27 THR MG 1 28 TYR H 5.000 . 5.000 3.790 3.627 3.944 . 0 0 "[ . 1 . 2]" 1
237 1 27 THR MG 1 40 HIS HD2 5.000 . 5.000 3.458 2.040 4.197 . 0 0 "[ . 1 . 2]" 1
238 1 27 THR MG 1 40 HIS QB 5.000 . 5.000 3.530 2.453 4.939 . 0 0 "[ . 1 . 2]" 1
239 1 27 THR H 1 38 ILE MG 5.000 . 5.000 3.204 2.928 3.686 . 0 0 "[ . 1 . 2]" 1
240 1 27 THR H 1 38 ILE QG 5.000 . 5.000 4.887 4.482 5.032 0.032 11 0 "[ . 1 . 2]" 1
241 1 28 TYR HA 1 29 ARG H 3.000 . 3.000 2.212 2.113 2.498 . 0 0 "[ . 1 . 2]" 1
242 1 28 TYR HA 1 38 ILE HA 4.000 . 4.000 2.411 2.097 2.751 . 0 0 "[ . 1 . 2]" 1
243 1 28 TYR HA 1 38 ILE MG 5.000 . 5.000 4.090 3.393 4.462 . 0 0 "[ . 1 . 2]" 1
244 1 28 TYR HA 1 39 ASP H 4.000 . 4.000 3.000 2.025 4.016 0.016 20 0 "[ . 1 . 2]" 1
245 1 28 TYR QB 1 29 ARG H 4.000 . 4.000 3.085 2.413 3.995 . 0 0 "[ . 1 . 2]" 1
246 1 28 TYR QB 1 38 ILE HA 5.000 . 5.000 3.180 2.461 3.975 . 0 0 "[ . 1 . 2]" 1
247 1 28 TYR QD 1 36 ILE MG 5.000 . 5.000 2.584 2.302 3.180 . 0 0 "[ . 1 . 2]" 1
248 1 28 TYR QD 1 36 ILE MD 5.000 . 5.000 2.892 2.165 3.689 . 0 0 "[ . 1 . 2]" 1
249 1 28 TYR QD 1 60 VAL MG1 5.000 . 5.000 3.628 2.962 3.992 . 0 0 "[ . 1 . 2]" 1
250 1 28 TYR QE 1 36 ILE MG 4.000 . 4.000 3.376 2.517 4.013 0.013 18 0 "[ . 1 . 2]" 1
251 1 28 TYR QE 1 36 ILE MD 5.000 . 5.000 3.813 3.169 4.639 . 0 0 "[ . 1 . 2]" 1
252 1 28 TYR QE 1 60 VAL MG1 5.000 . 5.000 4.255 3.445 4.817 . 0 0 "[ . 1 . 2]" 1
253 1 28 TYR QD 1 36 ILE HB 5.000 . 5.000 2.643 1.848 3.334 . 0 0 "[ . 1 . 2]" 1
254 1 28 TYR QE 1 30 PHE HZ 5.000 . 5.000 3.363 2.140 4.449 . 0 0 "[ . 1 . 2]" 1
255 1 28 TYR QE 1 30 PHE QE 5.000 . 5.000 3.309 2.417 4.692 . 0 0 "[ . 1 . 2]" 1
256 1 28 TYR QD 1 60 VAL MG2 4.000 . 4.000 3.411 2.878 3.839 . 0 0 "[ . 1 . 2]" 1
257 1 28 TYR QE 1 60 VAL MG2 4.000 . 4.000 3.806 3.176 4.032 0.032 2 0 "[ . 1 . 2]" 1
258 1 29 ARG H 1 37 ASN H 4.000 . 4.000 2.892 2.480 3.436 . 0 0 "[ . 1 . 2]" 1
259 1 29 ARG H 1 38 ILE HA 5.000 . 5.000 3.867 3.360 4.445 . 0 0 "[ . 1 . 2]" 1
260 1 29 ARG HA 1 30 PHE H 3.000 . 3.000 2.267 2.161 2.473 . 0 0 "[ . 1 . 2]" 1
261 1 29 ARG HB2 1 30 PHE H 4.000 . 4.000 3.695 2.699 4.111 0.111 9 0 "[ . 1 . 2]" 1
262 1 29 ARG HB3 1 30 PHE H 4.000 . 4.000 3.416 2.465 4.018 0.018 4 0 "[ . 1 . 2]" 1
263 1 29 ARG H 1 36 ILE HB 5.000 . 5.000 3.901 3.354 4.565 . 0 0 "[ . 1 . 2]" 1
264 1 30 PHE H 1 30 PHE QB 3.000 . 3.000 2.410 2.337 2.484 . 0 0 "[ . 1 . 2]" 1
265 1 30 PHE HA 1 31 VAL H 3.000 . 3.000 2.180 2.142 2.246 . 0 0 "[ . 1 . 2]" 1
266 1 30 PHE HA 1 36 ILE HA 3.000 . 3.000 2.494 2.240 2.744 . 0 0 "[ . 1 . 2]" 1
267 1 30 PHE HA 1 36 ILE MG 4.000 . 4.000 2.633 2.266 3.406 . 0 0 "[ . 1 . 2]" 1
268 1 30 PHE HA 1 37 ASN H 5.000 . 5.000 3.713 3.389 4.229 . 0 0 "[ . 1 . 2]" 1
269 1 30 PHE QB 1 32 ASP H 5.000 . 5.000 3.691 2.816 4.372 . 0 0 "[ . 1 . 2]" 1
270 1 30 PHE QD 1 36 ILE MG 5.000 . 5.000 2.786 2.406 3.171 . 0 0 "[ . 1 . 2]" 1
271 1 30 PHE QE 1 36 ILE MG 5.000 . 5.000 2.898 2.743 3.037 . 0 0 "[ . 1 . 2]" 1
272 1 30 PHE QE 1 69 LEU MD1 5.000 . 5.000 2.842 2.110 4.038 . 0 0 "[ . 1 . 2]" 1
273 1 30 PHE QE 1 69 LEU MD2 5.000 . 5.000 2.582 1.983 3.344 . 0 0 "[ . 1 . 2]" 1
274 1 30 PHE HZ 1 69 LEU MD1 5.000 . 5.000 3.402 2.614 4.904 . 0 0 "[ . 1 . 2]" 1
275 1 30 PHE HZ 1 69 LEU MD2 5.000 . 5.000 4.236 3.649 5.025 0.025 13 0 "[ . 1 . 2]" 1
276 1 30 PHE HZ 1 36 ILE MG 5.000 . 5.000 3.632 3.249 4.060 . 0 0 "[ . 1 . 2]" 1
277 1 30 PHE H 1 30 PHE QD 4.000 . 4.000 2.257 2.067 2.469 . 0 0 "[ . 1 . 2]" 1
278 1 31 VAL H 1 31 VAL MG2 4.000 . 4.000 1.905 1.850 2.015 . 0 0 "[ . 1 . 2]" 1
279 1 31 VAL H 1 32 ASP H 3.000 . 3.000 2.347 1.961 2.547 . 0 0 "[ . 1 . 2]" 1
280 1 31 VAL H 1 36 ILE HA 5.000 . 5.000 2.960 2.399 3.774 . 0 0 "[ . 1 . 2]" 1
281 1 31 VAL H 1 36 ILE MG 5.000 . 5.000 4.133 3.715 4.850 . 0 0 "[ . 1 . 2]" 1
282 1 31 VAL HA 1 31 VAL HB 2.800 . 2.800 2.507 2.476 2.534 . 0 0 "[ . 1 . 2]" 1
283 1 31 VAL HA 1 32 ASP H 4.000 . 4.000 3.491 3.330 3.584 . 0 0 "[ . 1 . 2]" 1
284 1 31 VAL HB 1 32 ASP H 4.000 . 4.000 3.756 3.446 4.024 0.024 6 0 "[ . 1 . 2]" 1
285 1 31 VAL MG1 1 32 ASP H 5.000 . 5.000 4.044 3.995 4.100 . 0 0 "[ . 1 . 2]" 1
286 1 31 VAL MG2 1 32 ASP H 4.000 . 4.000 2.227 1.846 2.639 . 0 0 "[ . 1 . 2]" 1
287 1 31 VAL MG2 1 35 GLU HB2 5.000 . 5.000 2.557 1.900 3.699 . 0 0 "[ . 1 . 2]" 1
288 1 31 VAL MG2 1 35 GLU HB3 5.000 . 5.000 2.736 2.004 3.638 . 0 0 "[ . 1 . 2]" 1
289 1 31 VAL MG2 1 36 ILE HA 5.000 . 5.000 3.301 2.739 3.981 . 0 0 "[ . 1 . 2]" 1
290 1 31 VAL MG2 1 37 ASN H 5.000 . 5.000 3.494 3.036 3.927 . 0 0 "[ . 1 . 2]" 1
291 1 31 VAL MG2 1 37 ASN HA 5.000 . 5.000 4.471 4.015 5.011 0.011 18 0 "[ . 1 . 2]" 1
292 1 31 VAL MG2 1 37 ASN HB2 5.000 . 5.000 3.814 2.613 4.941 . 0 0 "[ . 1 . 2]" 1
293 1 31 VAL MG2 1 37 ASN HB3 5.000 . 5.000 3.300 2.733 3.823 . 0 0 "[ . 1 . 2]" 1
294 1 31 VAL MG2 1 35 GLU HA 5.000 . 5.000 4.231 4.012 4.837 . 0 0 "[ . 1 . 2]" 1
295 1 31 VAL MG2 1 35 GLU QG 5.000 . 5.000 3.638 2.279 4.667 . 0 0 "[ . 1 . 2]" 1
296 1 31 VAL MG2 1 32 ASP QB 5.000 . 5.000 2.692 2.384 2.944 . 0 0 "[ . 1 . 2]" 1
297 1 31 VAL MG2 1 35 GLU H 5.000 . 5.000 4.066 3.623 4.505 . 0 0 "[ . 1 . 2]" 1
298 1 32 ASP H 1 35 GLU H 4.000 . 4.000 3.506 3.213 3.816 . 0 0 "[ . 1 . 2]" 1
299 1 32 ASP H 1 35 GLU HB3 5.000 . 5.000 4.164 2.431 4.861 . 0 0 "[ . 1 . 2]" 1
300 1 32 ASP H 1 35 GLU HB2 5.000 . 5.000 3.157 2.584 4.296 . 0 0 "[ . 1 . 2]" 1
301 1 32 ASP HA 1 33 ASN H 4.000 . 4.000 2.997 2.159 3.570 . 0 0 "[ . 1 . 2]" 1
302 1 32 ASP QB 1 33 ASN H 4.000 . 4.000 2.659 1.748 4.011 0.052 8 0 "[ . 1 . 2]" 1
303 1 33 ASN H 1 34 ASN H 4.000 . 4.000 3.059 2.067 4.071 0.071 2 0 "[ . 1 . 2]" 1
304 1 33 ASN QB 1 34 ASN H 4.000 . 4.000 2.342 1.785 3.983 0.015 18 0 "[ . 1 . 2]" 1
305 1 33 ASN H 1 35 GLU H 5.000 . 5.000 3.330 2.128 4.806 . 0 0 "[ . 1 . 2]" 1
306 1 34 ASN H 1 35 GLU H 3.000 . 3.000 2.142 1.782 2.621 0.018 19 0 "[ . 1 . 2]" 1
307 1 34 ASN H 1 69 LEU MD2 5.000 . 5.000 4.559 3.734 5.021 0.021 16 0 "[ . 1 . 2]" 1
308 1 34 ASN HA 1 35 GLU H 4.000 . 4.000 3.258 2.997 3.521 . 0 0 "[ . 1 . 2]" 1
309 1 34 ASN HB2 1 69 LEU MD2 5.000 . 5.000 3.496 2.036 4.812 . 0 0 "[ . 1 . 2]" 1
310 1 34 ASN HB3 1 69 LEU MD2 5.000 . 5.000 3.285 2.257 4.520 . 0 0 "[ . 1 . 2]" 1
311 1 35 GLU HA 1 36 ILE H 3.000 . 3.000 2.140 2.103 2.197 . 0 0 "[ . 1 . 2]" 1
312 1 35 GLU HA 1 70 LYS H 4.000 . 4.000 2.693 2.100 3.330 . 0 0 "[ . 1 . 2]" 1
313 1 35 GLU HB2 1 36 ILE H 5.000 . 5.000 4.302 4.068 4.623 . 0 0 "[ . 1 . 2]" 1
314 1 35 GLU HB3 1 36 ILE H 5.000 . 5.000 3.591 3.131 4.292 . 0 0 "[ . 1 . 2]" 1
315 1 35 GLU H 1 69 LEU MD2 5.000 . 5.000 4.430 3.550 5.011 0.011 15 0 "[ . 1 . 2]" 1
316 1 36 ILE H 1 70 LYS H 4.000 . 4.000 3.440 3.165 3.748 . 0 0 "[ . 1 . 2]" 1
317 1 36 ILE H 1 71 ILE HA 4.000 . 4.000 3.355 3.030 3.803 . 0 0 "[ . 1 . 2]" 1
318 1 36 ILE H 1 72 ILE H 5.000 . 5.000 3.871 3.602 4.169 . 0 0 "[ . 1 . 2]" 1
319 1 36 ILE HA 1 36 ILE HB 3.000 . 3.000 2.493 2.459 2.536 . 0 0 "[ . 1 . 2]" 1
320 1 36 ILE HA 1 36 ILE MG 3.000 . 3.000 2.295 2.233 2.343 . 0 0 "[ . 1 . 2]" 1
321 1 36 ILE HA 1 37 ASN H 3.000 . 3.000 2.174 2.089 2.281 . 0 0 "[ . 1 . 2]" 1
322 1 36 ILE HB 1 37 ASN H 4.000 . 4.000 3.103 2.596 3.597 . 0 0 "[ . 1 . 2]" 1
323 1 36 ILE HG12 1 71 ILE HA 5.000 . 5.000 3.089 2.771 3.683 . 0 0 "[ . 1 . 2]" 1
324 1 36 ILE HG13 1 71 ILE HA 5.000 . 5.000 2.376 2.040 2.976 . 0 0 "[ . 1 . 2]" 1
325 1 36 ILE MG 1 69 LEU MD1 5.000 . 5.000 2.241 1.870 2.745 . 0 0 "[ . 1 . 2]" 1
326 1 36 ILE MD 1 38 ILE MD 5.000 . 5.000 3.788 2.781 5.014 0.014 1 0 "[ . 1 . 2]" 1
327 1 36 ILE MD 1 60 VAL MG1 4.000 . 4.000 2.536 2.234 2.817 . 0 0 "[ . 1 . 2]" 1
328 1 36 ILE MD 1 60 VAL MG2 5.000 . 5.000 4.386 3.875 4.806 . 0 0 "[ . 1 . 2]" 1
329 1 36 ILE MD 1 64 ALA MB 5.000 . 5.000 2.458 1.941 3.119 . 0 0 "[ . 1 . 2]" 1
330 1 36 ILE MD 1 69 LEU MD1 5.000 . 5.000 2.245 1.862 2.554 . 0 0 "[ . 1 . 2]" 1
331 1 36 ILE MD 1 71 ILE HA 5.000 . 5.000 3.475 2.979 4.157 . 0 0 "[ . 1 . 2]" 1
332 1 36 ILE MD 1 71 ILE MG 5.000 . 5.000 3.529 3.211 4.177 . 0 0 "[ . 1 . 2]" 1
333 1 36 ILE MD 1 71 ILE MD 5.000 . 5.000 2.932 2.106 3.456 . 0 0 "[ . 1 . 2]" 1
334 1 36 ILE MD 1 63 HIS HD2 5.000 . 5.000 4.471 3.691 5.092 0.092 2 0 "[ . 1 . 2]" 1
335 1 36 ILE H 1 36 ILE MG 4.000 . 4.000 2.853 2.636 3.046 . 0 0 "[ . 1 . 2]" 1
336 1 36 ILE MG 1 37 ASN H 5.000 . 5.000 3.796 3.624 3.899 . 0 0 "[ . 1 . 2]" 1
337 1 36 ILE QG 1 72 ILE H 5.000 . 5.000 3.309 2.959 3.912 . 0 0 "[ . 1 . 2]" 1
338 1 37 ASN HA 1 38 ILE H 3.000 . 3.000 2.161 2.110 2.244 . 0 0 "[ . 1 . 2]" 1
339 1 37 ASN HA 1 72 ILE H 4.000 . 4.000 2.902 2.573 3.314 . 0 0 "[ . 1 . 2]" 1
340 1 37 ASN HA 1 72 ILE HG12 5.000 . 5.000 2.993 2.026 3.298 . 0 0 "[ . 1 . 2]" 1
341 1 37 ASN HA 1 72 ILE HG13 5.000 . 5.000 2.132 1.793 3.677 0.007 7 0 "[ . 1 . 2]" 1
342 1 37 ASN HA 1 72 ILE MG 5.000 . 5.000 4.620 4.440 4.789 . 0 0 "[ . 1 . 2]" 1
343 1 37 ASN HA 1 72 ILE MD 5.000 . 5.000 3.516 3.207 3.942 . 0 0 "[ . 1 . 2]" 1
344 1 38 ILE H 1 72 ILE H 5.000 . 5.000 3.897 3.454 4.203 . 0 0 "[ . 1 . 2]" 1
345 1 38 ILE H 1 73 ALA HA 4.000 . 4.000 2.301 1.876 2.821 . 0 0 "[ . 1 . 2]" 1
346 1 38 ILE H 1 73 ALA MB 5.000 . 5.000 3.646 3.150 4.369 . 0 0 "[ . 1 . 2]" 1
347 1 38 ILE HA 1 38 ILE MG 3.000 . 3.000 2.458 2.374 2.571 . 0 0 "[ . 1 . 2]" 1
348 1 38 ILE HA 1 39 ASP H 3.000 . 3.000 2.138 2.096 2.201 . 0 0 "[ . 1 . 2]" 1
349 1 38 ILE HB 1 73 ALA HA 4.000 . 4.000 2.289 1.783 2.727 0.017 12 0 "[ . 1 . 2]" 1
350 1 38 ILE HB 1 73 ALA MB 4.000 . 4.000 2.524 2.082 3.435 . 0 0 "[ . 1 . 2]" 1
351 1 38 ILE MG 1 39 ASP H 4.000 . 4.000 3.156 2.993 3.410 . 0 0 "[ . 1 . 2]" 1
352 1 38 ILE MG 1 40 HIS H 4.000 . 4.000 3.178 2.759 3.668 . 0 0 "[ . 1 . 2]" 1
353 1 38 ILE MG 1 73 ALA HA 5.000 . 5.000 3.777 3.337 4.086 . 0 0 "[ . 1 . 2]" 1
354 1 38 ILE MG 1 73 ALA MB 5.000 . 5.000 3.255 2.779 4.099 . 0 0 "[ . 1 . 2]" 1
355 1 38 ILE MG 1 75 CYS H 5.000 . 5.000 3.412 2.815 4.109 . 0 0 "[ . 1 . 2]" 1
356 1 38 ILE MG 1 75 CYS QB 5.000 . 5.000 2.886 1.889 3.945 . 0 0 "[ . 1 . 2]" 1
357 1 38 ILE MG 1 78 ALA MB 4.000 . 4.000 2.409 1.805 3.268 . 0 0 "[ . 1 . 2]" 1
358 1 38 ILE MD 1 60 VAL HB 5.000 . 5.000 4.299 3.342 5.026 0.026 7 0 "[ . 1 . 2]" 1
359 1 38 ILE MD 1 60 VAL MG1 4.000 . 4.000 2.680 2.125 3.565 . 0 0 "[ . 1 . 2]" 1
360 1 38 ILE MD 1 60 VAL MG2 5.000 . 5.000 3.865 3.122 4.494 . 0 0 "[ . 1 . 2]" 1
361 1 38 ILE MD 1 71 ILE MG 5.000 . 5.000 2.144 1.774 2.567 0.026 2 0 "[ . 1 . 2]" 1
362 1 38 ILE MD 1 73 ALA HA 5.000 . 5.000 3.370 2.507 4.314 . 0 0 "[ . 1 . 2]" 1
363 1 38 ILE MD 1 73 ALA MB 5.000 . 5.000 2.753 2.035 3.709 . 0 0 "[ . 1 . 2]" 1
364 1 38 ILE MD 1 78 ALA MB 5.000 . 5.000 3.502 2.076 4.768 . 0 0 "[ . 1 . 2]" 1
365 1 38 ILE MD 1 82 LEU MD1 5.000 . 5.000 2.872 1.892 4.238 . 0 0 "[ . 1 . 2]" 1
366 1 38 ILE H 1 38 ILE MD 5.000 . 5.000 2.833 1.945 3.936 . 0 0 "[ . 1 . 2]" 1
367 1 38 ILE H 1 74 SER H 5.000 . 5.000 3.363 2.562 4.206 . 0 0 "[ . 1 . 2]" 1
368 1 38 ILE QG 1 60 VAL MG1 5.000 . 5.000 3.180 2.683 3.780 . 0 0 "[ . 1 . 2]" 1
369 1 38 ILE HB 1 74 SER H 5.000 . 5.000 3.353 2.817 4.072 . 0 0 "[ . 1 . 2]" 1
370 1 39 ASP H 1 40 HIS H 3.000 . 3.000 2.585 2.154 3.015 0.015 10 0 "[ . 1 . 2]" 1
371 1 39 ASP QB 1 40 HIS H 5.000 . 5.000 2.539 1.945 3.774 . 0 0 "[ . 1 . 2]" 1
372 1 40 HIS HA 1 41 THR H 3.000 . 3.000 2.190 2.113 2.257 . 0 0 "[ . 1 . 2]" 1
373 1 40 HIS QB 1 41 THR H 4.000 . 4.000 3.412 2.664 3.902 . 0 0 "[ . 1 . 2]" 1
374 1 40 HIS HA 1 75 CYS HA 5.000 . 5.000 4.665 3.769 5.095 0.095 20 0 "[ . 1 . 2]" 1
375 1 40 HIS HA 1 75 CYS QB 5.000 . 5.000 2.827 1.797 4.030 0.003 18 0 "[ . 1 . 2]" 1
376 1 41 THR H 1 41 THR HB 4.000 . 4.000 2.833 2.662 2.926 . 0 0 "[ . 1 . 2]" 1
377 1 41 THR HA 1 41 THR MG 3.000 . 3.000 2.330 2.276 2.372 . 0 0 "[ . 1 . 2]" 1
378 1 41 THR HA 1 42 GLY H 3.000 . 3.000 2.199 2.148 2.263 . 0 0 "[ . 1 . 2]" 1
379 1 41 THR HB 1 77 PHE QB 5.000 . 5.000 3.258 2.226 4.258 . 0 0 "[ . 1 . 2]" 1
380 1 41 THR HB 1 77 PHE QD 5.000 . 5.000 2.890 1.946 4.176 . 0 0 "[ . 1 . 2]" 1
381 1 41 THR MG 1 42 GLY H 4.000 . 4.000 3.344 3.057 3.564 . 0 0 "[ . 1 . 2]" 1
382 1 41 THR MG 1 53 GLY QA 5.000 . 5.000 4.041 3.268 4.774 . 0 0 "[ . 1 . 2]" 1
383 1 41 THR MG 1 56 LEU MD1 5.000 . 5.000 3.464 2.717 4.215 . 0 0 "[ . 1 . 2]" 1
384 1 41 THR MG 1 77 PHE QD 5.000 . 5.000 2.684 1.967 3.573 . 0 0 "[ . 1 . 2]" 1
385 1 41 THR MG 1 77 PHE QE 5.000 . 5.000 3.198 2.550 4.609 . 0 0 "[ . 1 . 2]" 1
386 1 41 THR MG 1 81 MET ME 5.000 . 5.000 3.507 2.148 4.703 . 0 0 "[ . 1 . 2]" 1
387 1 41 THR MG 1 43 VAL MG2 5.000 . 5.000 2.011 1.767 2.882 0.033 10 0 "[ . 1 . 2]" 1
388 1 42 GLY H 1 43 VAL MG2 5.000 . 5.000 3.844 3.280 4.262 . 0 0 "[ . 1 . 2]" 1
389 1 42 GLY QA 1 43 VAL MG2 5.000 . 5.000 3.746 3.388 4.062 . 0 0 "[ . 1 . 2]" 1
390 1 42 GLY QA 1 43 VAL H 3.000 . 3.000 2.270 2.115 2.529 . 0 0 "[ . 1 . 2]" 1
391 1 43 VAL HA 1 43 VAL MG1 3.000 . 3.000 2.389 2.344 2.463 . 0 0 "[ . 1 . 2]" 1
392 1 43 VAL HA 1 43 VAL MG2 3.000 . 3.000 2.412 2.342 2.474 . 0 0 "[ . 1 . 2]" 1
393 1 43 VAL HA 1 44 SER H 3.000 . 3.000 2.165 2.119 2.348 . 0 0 "[ . 1 . 2]" 1
394 1 43 VAL MG1 1 44 SER H 4.000 . 4.000 2.879 2.010 3.342 . 0 0 "[ . 1 . 2]" 1
395 1 43 VAL H 1 43 VAL MG2 4.000 . 4.000 2.540 2.338 2.829 . 0 0 "[ . 1 . 2]" 1
396 1 43 VAL MG2 1 53 GLY H 5.000 . 5.000 4.160 3.315 4.972 . 0 0 "[ . 1 . 2]" 1
397 1 43 VAL MG2 1 53 GLY HA2 5.000 . 5.000 2.850 1.901 3.741 . 0 0 "[ . 1 . 2]" 1
398 1 43 VAL MG2 1 53 GLY HA3 5.000 . 5.000 3.172 1.926 4.139 . 0 0 "[ . 1 . 2]" 1
399 1 43 VAL MG1 1 52 VAL HB 5.000 . 5.000 3.154 2.243 3.984 . 0 0 "[ . 1 . 2]" 1
400 1 43 VAL MG1 1 52 VAL MG2 5.000 . 5.000 3.933 2.082 4.812 . 0 0 "[ . 1 . 2]" 1
401 1 43 VAL MG2 1 52 VAL MG1 5.000 . 5.000 3.875 3.268 5.042 0.042 8 0 "[ . 1 . 2]" 1
402 1 43 VAL MG2 1 52 VAL HB 5.000 . 5.000 4.515 3.921 5.009 0.009 7 0 "[ . 1 . 2]" 1
403 1 44 SER HA 1 45 ASP H 3.000 . 3.000 2.187 2.082 2.527 . 0 0 "[ . 1 . 2]" 1
404 1 44 SER HB2 1 45 ASP H 4.000 . 4.000 3.827 2.760 4.098 0.098 7 0 "[ . 1 . 2]" 1
405 1 44 SER HB3 1 45 ASP H 4.000 . 4.000 3.513 2.217 4.062 0.062 14 0 "[ . 1 . 2]" 1
406 1 45 ASP H 1 46 GLU H 4.000 . 4.000 2.897 1.818 4.081 0.081 1 0 "[ . 1 . 2]" 1
407 1 45 ASP HA 1 48 GLY H 5.000 . 5.000 3.825 2.998 4.722 . 0 0 "[ . 1 . 2]" 1
408 1 46 GLU H 1 47 LEU H 4.000 . 4.000 2.804 2.098 4.037 0.037 9 0 "[ . 1 . 2]" 1
409 1 47 LEU H 1 48 GLY H 3.000 . 3.000 2.523 1.789 3.047 0.047 16 0 "[ . 1 . 2]" 1
410 1 47 LEU MD2 1 50 GLN QE 5.000 . 5.000 4.081 2.724 5.021 0.021 20 0 "[ . 1 . 2]" 1
411 1 50 GLN QB 1 52 VAL MG2 5.000 . 5.000 3.535 1.978 4.760 . 0 0 "[ . 1 . 2]" 1
412 1 52 VAL H 1 53 GLY H 5.000 . 5.000 2.700 2.380 2.956 . 0 0 "[ . 1 . 2]" 1
413 1 52 VAL HA 1 55 LYS H 4.000 . 4.000 3.558 3.219 4.005 0.005 5 0 "[ . 1 . 2]" 1
414 1 52 VAL H 1 52 VAL MG2 4.000 . 4.000 1.999 1.828 2.290 . 0 0 "[ . 1 . 2]" 1
415 1 52 VAL H 1 52 VAL HB 4.000 . 4.000 2.635 2.432 3.614 . 0 0 "[ . 1 . 2]" 1
416 1 52 VAL MG1 1 56 LEU MD1 5.000 . 5.000 3.041 2.280 4.845 . 0 0 "[ . 1 . 2]" 1
417 1 52 VAL MG1 1 55 LYS H 5.000 . 5.000 4.640 3.847 5.007 0.007 8 0 "[ . 1 . 2]" 1
418 1 52 VAL HA 1 55 LYS QB 5.000 . 5.000 2.927 2.255 3.469 . 0 0 "[ . 1 . 2]" 1
419 1 52 VAL HA 1 55 LYS QD 5.000 . 5.000 3.486 2.030 5.025 0.025 15 0 "[ . 1 . 2]" 1
420 1 53 GLY H 1 54 LYS H 4.000 . 4.000 2.713 2.554 2.833 . 0 0 "[ . 1 . 2]" 1
421 1 53 GLY QA 1 54 LYS H 4.000 . 4.000 2.721 2.589 2.841 . 0 0 "[ . 1 . 2]" 1
422 1 53 GLY QA 1 56 LEU QB 5.000 . 5.000 2.982 2.499 3.568 . 0 0 "[ . 1 . 2]" 1
423 1 53 GLY QA 1 56 LEU MD1 5.000 . 5.000 2.765 2.157 3.550 . 0 0 "[ . 1 . 2]" 1
424 1 54 LYS H 1 55 LYS H 4.000 . 4.000 2.564 2.394 2.668 . 0 0 "[ . 1 . 2]" 1
425 1 54 LYS HA 1 57 LEU H 4.000 . 4.000 3.384 2.990 4.001 0.001 13 0 "[ . 1 . 2]" 1
426 1 54 LYS HA 1 57 LEU HB2 5.000 . 5.000 2.893 2.105 4.544 . 0 0 "[ . 1 . 2]" 1
427 1 54 LYS HA 1 57 LEU HB3 5.000 . 5.000 3.421 2.097 4.603 . 0 0 "[ . 1 . 2]" 1
428 1 54 LYS HA 1 57 LEU MD2 5.000 . 5.000 3.282 2.633 4.188 . 0 0 "[ . 1 . 2]" 1
429 1 54 LYS HA 1 81 MET ME 5.000 . 5.000 4.131 2.481 5.003 0.003 2 0 "[ . 1 . 2]" 1
430 1 55 LYS H 1 56 LEU H 3.000 . 3.000 2.647 2.504 2.798 . 0 0 "[ . 1 . 2]" 1
431 1 55 LYS HA 1 58 LYS H 4.000 . 4.000 3.582 3.085 3.991 . 0 0 "[ . 1 . 2]" 1
432 1 55 LYS HA 1 58 LYS QB 5.000 . 5.000 2.764 2.086 3.318 . 0 0 "[ . 1 . 2]" 1
433 1 56 LEU H 1 56 LEU HG 4.000 . 4.000 2.388 2.270 2.542 . 0 0 "[ . 1 . 2]" 1
434 1 56 LEU H 1 57 LEU H 4.000 . 4.000 2.694 2.541 2.930 . 0 0 "[ . 1 . 2]" 1
435 1 56 LEU HA 1 56 LEU MD2 4.000 . 4.000 1.978 1.912 2.056 . 0 0 "[ . 1 . 2]" 1
436 1 56 LEU HA 1 59 ALA H 5.000 . 5.000 3.611 3.375 3.977 . 0 0 "[ . 1 . 2]" 1
437 1 56 LEU HA 1 59 ALA MB 5.000 . 5.000 3.002 2.633 3.577 . 0 0 "[ . 1 . 2]" 1
438 1 56 LEU HA 1 60 VAL H 5.000 . 5.000 4.434 4.108 4.770 . 0 0 "[ . 1 . 2]" 1
439 1 57 LEU HA 1 60 VAL H 5.000 . 5.000 3.424 3.054 3.646 . 0 0 "[ . 1 . 2]" 1
440 1 57 LEU HA 1 60 VAL MG1 5.000 . 5.000 4.187 3.814 4.696 . 0 0 "[ . 1 . 2]" 1
441 1 57 LEU MD1 1 61 VAL MG2 5.000 . 5.000 3.966 2.457 5.008 0.008 5 0 "[ . 1 . 2]" 1
442 1 57 LEU MD1 1 78 ALA HA 5.000 . 5.000 3.985 3.409 4.637 . 0 0 "[ . 1 . 2]" 1
443 1 57 LEU MD1 1 82 LEU MD2 5.000 . 5.000 3.141 1.796 5.007 0.007 17 0 "[ . 1 . 2]" 1
444 1 57 LEU MD2 1 61 VAL MG2 5.000 . 5.000 3.762 3.065 4.358 . 0 0 "[ . 1 . 2]" 1
445 1 57 LEU MD2 1 82 LEU MD1 5.000 . 5.000 3.707 2.035 4.444 . 0 0 "[ . 1 . 2]" 1
446 1 57 LEU MD2 1 82 LEU MD2 5.000 . 5.000 2.157 1.799 3.595 0.001 14 0 "[ . 1 . 2]" 1
447 1 57 LEU MD2 1 78 ALA HA 4.000 . 4.000 3.784 2.999 4.039 0.039 14 0 "[ . 1 . 2]" 1
448 1 57 LEU MD2 1 78 ALA MB 5.000 . 5.000 3.738 2.960 4.297 . 0 0 "[ . 1 . 2]" 1
449 1 57 LEU MD2 1 81 MET H 5.000 . 5.000 4.695 4.211 5.017 0.017 10 0 "[ . 1 . 2]" 1
450 1 57 LEU MD2 1 81 MET HB2 5.000 . 5.000 3.119 2.285 4.249 . 0 0 "[ . 1 . 2]" 1
451 1 57 LEU MD2 1 81 MET HB3 5.000 . 5.000 2.664 1.820 3.085 . 0 0 "[ . 1 . 2]" 1
452 1 57 LEU MD2 1 81 MET HG2 5.000 . 5.000 3.742 2.168 4.630 . 0 0 "[ . 1 . 2]" 1
453 1 57 LEU MD2 1 81 MET HG3 5.000 . 5.000 4.103 3.276 4.699 . 0 0 "[ . 1 . 2]" 1
454 1 57 LEU MD2 1 81 MET ME 5.000 . 5.000 2.342 1.779 3.741 0.021 14 0 "[ . 1 . 2]" 1
455 1 57 LEU MD2 1 82 LEU H 5.000 . 5.000 3.769 3.170 4.289 . 0 0 "[ . 1 . 2]" 1
456 1 57 LEU MD2 1 82 LEU HA 5.000 . 5.000 3.531 2.809 4.095 . 0 0 "[ . 1 . 2]" 1
457 1 57 LEU MD2 1 82 LEU HG 5.000 . 5.000 2.949 2.238 3.753 . 0 0 "[ . 1 . 2]" 1
458 1 57 LEU MD2 1 88 TYR QD 5.000 . 5.000 3.351 2.493 4.300 . 0 0 "[ . 1 . 2]" 1
459 1 57 LEU MD2 1 88 TYR QE 5.000 . 5.000 2.939 2.070 3.740 . 0 0 "[ . 1 . 2]" 1
460 1 57 LEU HG 1 88 TYR QE 5.000 . 5.000 4.198 2.669 5.006 0.006 9 0 "[ . 1 . 2]" 1
461 1 57 LEU H 1 58 LYS H 4.000 . 4.000 2.717 2.534 2.827 . 0 0 "[ . 1 . 2]" 1
462 1 57 LEU HA 1 60 VAL MG2 5.000 . 5.000 2.999 2.347 3.519 . 0 0 "[ . 1 . 2]" 1
463 1 57 LEU QB 1 58 LYS H 4.000 . 4.000 2.646 2.457 2.919 . 0 0 "[ . 1 . 2]" 1
464 1 58 LYS H 1 59 ALA H 3.000 . 3.000 2.765 2.623 2.877 . 0 0 "[ . 1 . 2]" 1
465 1 58 LYS HA 1 61 VAL H 4.000 . 4.000 3.603 3.184 4.012 0.012 7 0 "[ . 1 . 2]" 1
466 1 58 LYS HA 1 61 VAL HB 4.000 . 4.000 2.821 2.411 3.338 . 0 0 "[ . 1 . 2]" 1
467 1 58 LYS HA 1 61 VAL MG1 5.000 . 5.000 4.174 3.863 4.617 . 0 0 "[ . 1 . 2]" 1
468 1 58 LYS HA 1 61 VAL MG2 5.000 . 5.000 3.386 2.802 4.062 . 0 0 "[ . 1 . 2]" 1
469 1 58 LYS HA 1 62 GLU H 5.000 . 5.000 3.850 3.613 4.110 . 0 0 "[ . 1 . 2]" 1
470 1 58 LYS QB 1 59 ALA H 4.000 . 4.000 2.471 2.233 2.763 . 0 0 "[ . 1 . 2]" 1
471 1 59 ALA HA 1 62 GLU H 4.000 . 4.000 3.634 3.307 3.981 . 0 0 "[ . 1 . 2]" 1
472 1 59 ALA HA 1 62 GLU HB2 4.000 . 4.000 3.231 2.303 3.996 . 0 0 "[ . 1 . 2]" 1
473 1 59 ALA HA 1 62 GLU HB3 4.000 . 4.000 3.151 2.617 4.046 0.046 13 0 "[ . 1 . 2]" 1
474 1 59 ALA MB 1 60 VAL MG2 5.000 . 5.000 3.069 2.786 3.258 . 0 0 "[ . 1 . 2]" 1
475 1 59 ALA H 1 60 VAL H 4.000 . 4.000 2.692 2.575 2.857 . 0 0 "[ . 1 . 2]" 1
476 1 59 ALA MB 1 60 VAL H 4.000 . 4.000 2.535 2.386 2.657 . 0 0 "[ . 1 . 2]" 1
477 1 60 VAL H 1 60 VAL HB 3.000 . 3.000 2.541 2.504 2.605 . 0 0 "[ . 1 . 2]" 1
478 1 60 VAL H 1 60 VAL MG2 4.000 . 4.000 2.102 1.969 2.180 . 0 0 "[ . 1 . 2]" 1
479 1 60 VAL H 1 61 VAL H 3.000 . 3.000 2.689 2.565 2.801 . 0 0 "[ . 1 . 2]" 1
480 1 60 VAL HA 1 63 HIS H 5.000 . 5.000 3.629 3.401 3.781 . 0 0 "[ . 1 . 2]" 1
481 1 60 VAL HB 1 61 VAL H 4.000 . 4.000 2.485 2.365 2.677 . 0 0 "[ . 1 . 2]" 1
482 1 60 VAL MG1 1 64 ALA H 5.000 . 5.000 4.049 3.819 4.169 . 0 0 "[ . 1 . 2]" 1
483 1 60 VAL MG1 1 64 ALA MB 5.000 . 5.000 3.067 2.771 3.367 . 0 0 "[ . 1 . 2]" 1
484 1 60 VAL MG1 1 71 ILE MG 5.000 . 5.000 3.376 3.028 3.876 . 0 0 "[ . 1 . 2]" 1
485 1 60 VAL MG1 1 71 ILE MD 5.000 . 5.000 2.386 1.965 3.326 . 0 0 "[ . 1 . 2]" 1
486 1 61 VAL H 1 61 VAL MG2 4.000 . 4.000 2.124 2.049 2.226 . 0 0 "[ . 1 . 2]" 1
487 1 61 VAL H 1 62 GLU H 4.000 . 4.000 2.678 2.585 2.765 . 0 0 "[ . 1 . 2]" 1
488 1 61 VAL HA 1 64 ALA H 4.000 . 4.000 3.351 3.078 3.642 . 0 0 "[ . 1 . 2]" 1
489 1 61 VAL HA 1 64 ALA MB 4.000 . 4.000 2.325 2.060 2.612 . 0 0 "[ . 1 . 2]" 1
490 1 61 VAL HA 1 71 ILE MD 4.000 . 4.000 2.231 1.800 3.386 0.000 20 0 "[ . 1 . 2]" 1
491 1 61 VAL HA 1 91 VAL MG2 5.000 . 5.000 3.016 2.412 3.882 . 0 0 "[ . 1 . 2]" 1
492 1 61 VAL MG1 1 64 ALA MB 5.000 . 5.000 3.353 3.082 3.800 . 0 0 "[ . 1 . 2]" 1
493 1 61 VAL MG2 1 64 ALA MB 5.000 . 5.000 3.826 3.559 4.121 . 0 0 "[ . 1 . 2]" 1
494 1 61 VAL MG1 1 88 TYR HA 5.000 . 5.000 3.211 2.590 4.173 . 0 0 "[ . 1 . 2]" 1
495 1 61 VAL MG1 1 88 TYR QD 5.000 . 5.000 2.538 1.829 3.932 . 0 0 "[ . 1 . 2]" 1
496 1 61 VAL MG1 1 88 TYR QE 5.000 . 5.000 3.506 2.747 4.714 . 0 0 "[ . 1 . 2]" 1
497 1 61 VAL MG2 1 88 TYR QD 5.000 . 5.000 2.270 1.784 3.127 0.016 2 0 "[ . 1 . 2]" 1
498 1 61 VAL MG2 1 88 TYR QE 5.000 . 5.000 2.889 2.014 3.588 . 0 0 "[ . 1 . 2]" 1
499 1 61 VAL MG2 1 71 ILE MD 5.000 . 5.000 2.319 1.894 3.653 . 0 0 "[ . 1 . 2]" 1
500 1 61 VAL MG2 1 82 LEU MD2 5.000 . 5.000 2.928 2.203 3.852 . 0 0 "[ . 1 . 2]" 1
501 1 61 VAL MG1 1 91 VAL MG1 4.000 . 4.000 2.950 1.804 4.009 0.009 2 0 "[ . 1 . 2]" 1
502 1 61 VAL MG1 1 91 VAL MG2 4.000 . 4.000 2.050 1.789 2.760 0.011 12 0 "[ . 1 . 2]" 1
503 1 61 VAL MG2 1 91 VAL MG2 5.000 . 5.000 2.688 1.787 3.568 0.013 9 0 "[ . 1 . 2]" 1
504 1 61 VAL H 1 61 VAL HB 3.000 . 3.000 2.511 2.445 2.566 . 0 0 "[ . 1 . 2]" 1
505 1 61 VAL HB 1 62 GLU H 4.000 . 4.000 2.656 2.503 2.764 . 0 0 "[ . 1 . 2]" 1
506 1 61 VAL MG1 1 62 GLU H 4.000 . 4.000 3.416 3.257 3.522 . 0 0 "[ . 1 . 2]" 1
507 1 62 GLU H 1 63 HIS H 3.000 . 3.000 2.753 2.645 2.907 . 0 0 "[ . 1 . 2]" 1
508 1 62 GLU H 1 62 GLU QG 4.000 . 4.000 3.545 2.230 4.033 0.033 17 0 "[ . 1 . 2]" 1
509 1 62 GLU QB 1 63 HIS H 4.000 . 4.000 2.382 2.234 2.570 . 0 0 "[ . 1 . 2]" 1
510 1 62 GLU HA 1 66 GLU H 5.000 . 5.000 4.309 3.893 4.677 . 0 0 "[ . 1 . 2]" 1
511 1 63 HIS H 1 64 ALA H 3.000 . 3.000 2.565 2.474 2.842 . 0 0 "[ . 1 . 2]" 1
512 1 63 HIS HA 1 66 GLU H 5.000 . 5.000 3.398 3.152 3.860 . 0 0 "[ . 1 . 2]" 1
513 1 63 HIS HA 1 66 GLU HB2 5.000 . 5.000 2.950 2.491 3.813 . 0 0 "[ . 1 . 2]" 1
514 1 63 HIS HA 1 66 GLU HB3 5.000 . 5.000 3.456 2.193 5.004 0.004 1 0 "[ . 1 . 2]" 1
515 1 63 HIS HB3 1 64 ALA H 4.000 . 4.000 2.780 2.519 2.960 . 0 0 "[ . 1 . 2]" 1
516 1 63 HIS HB2 1 64 ALA H 4.000 . 4.000 3.896 3.753 4.023 0.023 14 0 "[ . 1 . 2]" 1
517 1 63 HIS HD2 1 69 LEU MD1 5.000 . 5.000 3.007 1.990 3.965 . 0 0 "[ . 1 . 2]" 1
518 1 63 HIS HA 1 67 ASN QD 5.000 . 5.000 4.223 3.311 5.036 0.036 4 0 "[ . 1 . 2]" 1
519 1 64 ALA H 1 65 ARG H 3.000 . 3.000 2.678 2.554 2.884 . 0 0 "[ . 1 . 2]" 1
520 1 64 ALA HA 1 69 LEU H 4.000 . 4.000 3.089 2.569 3.378 . 0 0 "[ . 1 . 2]" 1
521 1 64 ALA HA 1 69 LEU MD1 4.000 . 4.000 2.113 1.792 2.594 0.008 3 0 "[ . 1 . 2]" 1
522 1 64 ALA MB 1 69 LEU MD1 5.000 . 5.000 3.114 2.731 3.672 . 0 0 "[ . 1 . 2]" 1
523 1 64 ALA MB 1 70 LYS HA 5.000 . 5.000 4.397 3.916 4.791 . 0 0 "[ . 1 . 2]" 1
524 1 64 ALA MB 1 71 ILE QG 5.000 . 5.000 2.470 2.284 2.888 . 0 0 "[ . 1 . 2]" 1
525 1 64 ALA MB 1 71 ILE MD 4.000 . 4.000 2.124 1.899 2.582 . 0 0 "[ . 1 . 2]" 1
526 1 64 ALA MB 1 91 VAL HB 4.000 . 4.000 3.141 2.449 3.888 . 0 0 "[ . 1 . 2]" 1
527 1 64 ALA MB 1 91 VAL MG1 4.000 . 4.000 2.786 2.042 3.508 . 0 0 "[ . 1 . 2]" 1
528 1 64 ALA MB 1 91 VAL MG2 4.000 . 4.000 2.973 2.347 3.980 . 0 0 "[ . 1 . 2]" 1
529 1 64 ALA MB 1 71 ILE MG 5.000 . 5.000 4.317 4.088 4.734 . 0 0 "[ . 1 . 2]" 1
530 1 64 ALA HA 1 69 LEU QB 4.000 . 4.000 2.118 1.831 2.459 . 0 0 "[ . 1 . 2]" 1
531 1 64 ALA MB 1 71 ILE H 5.000 . 5.000 4.509 4.080 4.921 . 0 0 "[ . 1 . 2]" 1
532 1 64 ALA MB 1 65 ARG H 4.000 . 4.000 2.447 2.192 2.704 . 0 0 "[ . 1 . 2]" 1
533 1 64 ALA HA 1 67 ASN H 5.000 . 5.000 3.560 3.280 3.837 . 0 0 "[ . 1 . 2]" 1
534 1 65 ARG H 1 66 GLU H 3.000 . 3.000 2.656 2.568 2.809 . 0 0 "[ . 1 . 2]" 1
535 1 65 ARG H 1 91 VAL MG1 5.000 . 5.000 3.482 2.767 4.630 . 0 0 "[ . 1 . 2]" 1
536 1 65 ARG HA 1 68 ASN H 5.000 . 5.000 3.528 3.245 3.914 . 0 0 "[ . 1 . 2]" 1
537 1 65 ARG HA 1 91 VAL MG1 4.000 . 4.000 2.957 1.867 4.023 0.023 17 0 "[ . 1 . 2]" 1
538 1 65 ARG QB 1 91 VAL MG1 5.000 . 5.000 3.394 2.330 4.695 . 0 0 "[ . 1 . 2]" 1
539 1 65 ARG HG3 1 91 VAL MG1 5.000 . 5.000 3.665 2.263 4.865 . 0 0 "[ . 1 . 2]" 1
540 1 65 ARG HG2 1 91 VAL MG1 5.000 . 5.000 3.667 2.190 5.013 0.013 4 0 "[ . 1 . 2]" 1
541 1 65 ARG QB 1 66 GLU H 4.000 . 4.000 2.641 2.481 2.850 . 0 0 "[ . 1 . 2]" 1
542 1 66 GLU H 1 67 ASN H 3.000 . 3.000 2.778 2.562 2.966 . 0 0 "[ . 1 . 2]" 1
543 1 66 GLU QB 1 67 ASN H 4.000 . 4.000 2.471 2.142 3.061 . 0 0 "[ . 1 . 2]" 1
544 1 66 GLU QB 1 67 ASN QD 5.000 . 5.000 2.668 2.058 3.693 . 0 0 "[ . 1 . 2]" 1
545 1 66 GLU HA 1 68 ASN H 5.000 . 5.000 4.110 3.824 4.378 . 0 0 "[ . 1 . 2]" 1
546 1 66 GLU H 1 66 GLU QG 4.000 . 4.000 3.053 2.025 4.020 0.020 6 0 "[ . 1 . 2]" 1
547 1 66 GLU QG 1 67 ASN QD 5.000 . 5.000 3.435 2.107 5.042 0.042 2 0 "[ . 1 . 2]" 1
548 1 67 ASN H 1 68 ASN H 3.000 . 3.000 2.406 2.234 2.556 . 0 0 "[ . 1 . 2]" 1
549 1 67 ASN H 1 68 ASN HA 5.000 . 5.000 4.532 4.247 4.779 . 0 0 "[ . 1 . 2]" 1
550 1 67 ASN H 1 69 LEU H 5.000 . 5.000 3.704 3.222 4.565 . 0 0 "[ . 1 . 2]" 1
551 1 67 ASN HB2 1 69 LEU HG 5.000 . 5.000 2.100 1.770 2.912 0.030 9 0 "[ . 1 . 2]" 1
552 1 67 ASN HB3 1 69 LEU HG 5.000 . 5.000 2.903 1.768 3.774 0.032 19 0 "[ . 1 . 2]" 1
553 1 67 ASN HB2 1 69 LEU MD1 5.000 . 5.000 2.615 2.309 3.159 . 0 0 "[ . 1 . 2]" 1
554 1 67 ASN HB3 1 69 LEU MD1 5.000 . 5.000 3.416 2.724 4.252 . 0 0 "[ . 1 . 2]" 1
555 1 68 ASN H 1 68 ASN HA 2.800 . 2.800 2.270 2.252 2.282 . 0 0 "[ . 1 . 2]" 1
556 1 68 ASN H 1 69 LEU H 3.000 . 3.000 2.774 2.518 3.049 0.049 11 0 "[ . 1 . 2]" 1
557 1 68 ASN HA 1 69 LEU H 3.000 . 3.000 2.661 2.212 3.012 0.012 4 0 "[ . 1 . 2]" 1
558 1 69 LEU HB2 1 70 LYS H 4.000 . 4.000 3.838 3.347 4.027 0.027 19 0 "[ . 1 . 2]" 1
559 1 69 LEU HB3 1 70 LYS H 4.000 . 4.000 2.795 2.240 3.080 . 0 0 "[ . 1 . 2]" 1
560 1 69 LEU MD2 1 70 LYS H 5.000 . 5.000 3.543 3.370 3.688 . 0 0 "[ . 1 . 2]" 1
561 1 69 LEU HA 1 70 LYS H 3.000 . 3.000 2.259 2.149 2.513 . 0 0 "[ . 1 . 2]" 1
562 1 70 LYS HA 1 71 ILE H 3.000 . 3.000 2.189 2.137 2.310 . 0 0 "[ . 1 . 2]" 1
563 1 70 LYS QB 1 93 LEU MD1 5.000 . 5.000 2.250 1.739 2.902 0.061 11 0 "[ . 1 . 2]" 1
564 1 70 LYS QB 1 71 ILE H 4.000 . 4.000 3.112 2.780 3.412 . 0 0 "[ . 1 . 2]" 1
565 1 71 ILE H 1 92 TYR HA 4.000 . 4.000 3.201 2.514 3.853 . 0 0 "[ . 1 . 2]" 1
566 1 71 ILE H 1 93 LEU MD1 5.000 . 5.000 4.112 2.629 5.017 0.017 7 0 "[ . 1 . 2]" 1
567 1 71 ILE H 1 93 LEU MD2 5.000 . 5.000 4.442 2.754 5.030 0.030 3 0 "[ . 1 . 2]" 1
568 1 71 ILE HA 1 72 ILE H 2.800 . 2.800 2.115 2.090 2.144 . 0 0 "[ . 1 . 2]" 1
569 1 71 ILE HB 1 92 TYR QD 5.000 . 5.000 3.520 2.496 4.198 . 0 0 "[ . 1 . 2]" 1
570 1 71 ILE MG 1 73 ALA MB 5.000 . 5.000 3.344 2.620 3.610 . 0 0 "[ . 1 . 2]" 1
571 1 71 ILE MG 1 82 LEU MD1 4.000 . 4.000 2.337 1.967 3.522 . 0 0 "[ . 1 . 2]" 1
572 1 71 ILE MG 1 82 LEU MD2 5.000 . 5.000 3.138 2.279 3.924 . 0 0 "[ . 1 . 2]" 1
573 1 71 ILE MG 1 92 TYR QD 5.000 . 5.000 2.827 1.917 3.674 . 0 0 "[ . 1 . 2]" 1
574 1 71 ILE MG 1 92 TYR QE 5.000 . 5.000 4.218 3.435 4.895 . 0 0 "[ . 1 . 2]" 1
575 1 71 ILE MD 1 91 VAL HB 5.000 . 5.000 3.094 2.168 4.060 . 0 0 "[ . 1 . 2]" 1
576 1 71 ILE MD 1 91 VAL MG1 5.000 . 5.000 3.615 2.843 4.485 . 0 0 "[ . 1 . 2]" 1
577 1 71 ILE MD 1 91 VAL MG2 4.000 . 4.000 2.030 1.782 3.556 0.018 16 0 "[ . 1 . 2]" 1
578 1 71 ILE H 1 71 ILE HB 4.000 . 4.000 2.515 2.410 2.617 . 0 0 "[ . 1 . 2]" 1
579 1 71 ILE MD 1 82 LEU MD2 5.000 . 5.000 3.526 2.932 4.995 . 0 0 "[ . 1 . 2]" 1
580 1 71 ILE MG 1 92 TYR HA 5.000 . 5.000 3.612 2.944 4.240 . 0 0 "[ . 1 . 2]" 1
581 1 71 ILE H 1 71 ILE MD 4.000 . 4.000 3.911 3.591 4.030 0.030 6 0 "[ . 1 . 2]" 1
582 1 71 ILE H 1 93 LEU H 5.000 . 5.000 3.950 3.356 4.941 . 0 0 "[ . 1 . 2]" 1
583 1 72 ILE HA 1 72 ILE HB 3.000 . 3.000 2.523 2.483 2.566 . 0 0 "[ . 1 . 2]" 1
584 1 72 ILE HA 1 73 ALA H 3.000 . 3.000 2.310 2.135 2.646 . 0 0 "[ . 1 . 2]" 1
585 1 72 ILE HA 1 92 TYR QD 5.000 . 5.000 3.280 2.596 4.240 . 0 0 "[ . 1 . 2]" 1
586 1 72 ILE HA 1 92 TYR QE 4.000 . 4.000 3.186 2.166 4.020 0.020 16 0 "[ . 1 . 2]" 1
587 1 72 ILE HB 1 73 ALA H 4.000 . 4.000 2.921 2.108 3.795 . 0 0 "[ . 1 . 2]" 1
588 1 72 ILE MG 1 93 LEU HB2 5.000 . 5.000 2.727 1.929 4.689 . 0 0 "[ . 1 . 2]" 1
589 1 72 ILE MG 1 93 LEU HB3 5.000 . 5.000 3.918 2.933 4.974 . 0 0 "[ . 1 . 2]" 1
590 1 72 ILE MG 1 93 LEU MD1 5.000 . 5.000 2.379 1.784 3.792 0.016 11 0 "[ . 1 . 2]" 1
591 1 72 ILE MG 1 93 LEU MD2 5.000 . 5.000 3.576 1.931 4.847 . 0 0 "[ . 1 . 2]" 1
592 1 72 ILE MD 1 93 LEU MD1 5.000 . 5.000 4.029 2.340 5.019 0.019 16 0 "[ . 1 . 2]" 1
593 1 72 ILE MG 1 73 ALA H 5.000 . 5.000 3.727 3.527 3.999 . 0 0 "[ . 1 . 2]" 1
594 1 73 ALA H 1 92 TYR QE 5.000 . 5.000 2.976 1.791 4.556 0.009 12 0 "[ . 1 . 2]" 1
595 1 73 ALA HA 1 74 SER H 2.800 . 2.800 2.147 2.119 2.210 . 0 0 "[ . 1 . 2]" 1
596 1 73 ALA HA 1 75 CYS H 5.000 . 5.000 3.650 3.368 4.162 . 0 0 "[ . 1 . 2]" 1
597 1 73 ALA MB 1 74 SER H 4.000 . 4.000 3.098 2.827 3.347 . 0 0 "[ . 1 . 2]" 1
598 1 73 ALA MB 1 75 CYS H 5.000 . 5.000 3.130 2.703 3.567 . 0 0 "[ . 1 . 2]" 1
599 1 73 ALA MB 1 78 ALA MB 4.000 . 4.000 2.541 1.999 3.268 . 0 0 "[ . 1 . 2]" 1
600 1 73 ALA MB 1 82 LEU MD1 4.000 . 4.000 2.388 1.914 3.235 . 0 0 "[ . 1 . 2]" 1
601 1 73 ALA MB 1 92 TYR QD 5.000 . 5.000 4.150 3.543 5.037 0.037 16 0 "[ . 1 . 2]" 1
602 1 73 ALA MB 1 92 TYR QE 5.000 . 5.000 3.307 2.410 4.322 . 0 0 "[ . 1 . 2]" 1
603 1 73 ALA MB 1 79 LYS HA 4.000 . 4.000 2.384 1.964 2.778 . 0 0 "[ . 1 . 2]" 1
604 1 73 ALA MB 1 79 LYS HB3 4.000 . 4.000 3.666 3.355 4.011 0.011 12 0 "[ . 1 . 2]" 1
605 1 73 ALA MB 1 79 LYS HB2 4.000 . 4.000 2.274 1.867 2.801 . 0 0 "[ . 1 . 2]" 1
606 1 74 SER H 1 75 CYS H 3.000 . 3.000 2.238 1.970 2.509 . 0 0 "[ . 1 . 2]" 1
607 1 74 SER H 1 75 CYS QB 5.000 . 5.000 4.187 3.796 4.864 . 0 0 "[ . 1 . 2]" 1
608 1 75 CYS H 1 78 ALA MB 5.000 . 5.000 3.926 3.377 4.452 . 0 0 "[ . 1 . 2]" 1
609 1 75 CYS HA 1 76 SER H 3.000 . 3.000 2.152 2.115 2.201 . 0 0 "[ . 1 . 2]" 1
610 1 75 CYS HA 1 78 ALA MB 5.000 . 5.000 4.893 4.336 5.041 0.041 1 0 "[ . 1 . 2]" 1
611 1 75 CYS QB 1 76 SER H 5.000 . 5.000 3.528 2.931 3.934 . 0 0 "[ . 1 . 2]" 1
612 1 75 CYS QB 1 78 ALA MB 4.000 . 4.000 2.717 2.024 3.581 . 0 0 "[ . 1 . 2]" 1
613 1 76 SER H 1 77 PHE H 5.000 . 5.000 2.696 2.587 2.788 . 0 0 "[ . 1 . 2]" 1
614 1 76 SER HA 1 79 LYS H 5.000 . 5.000 3.460 3.068 3.790 . 0 0 "[ . 1 . 2]" 1
615 1 76 SER HA 1 79 LYS HB2 4.000 . 4.000 3.209 2.245 3.759 . 0 0 "[ . 1 . 2]" 1
616 1 76 SER HA 1 79 LYS HB3 4.000 . 4.000 2.379 1.772 3.057 0.028 6 0 "[ . 1 . 2]" 1
617 1 76 SER HA 1 79 LYS QG 5.000 . 5.000 4.117 3.500 5.001 0.001 7 0 "[ . 1 . 2]" 1
618 1 77 PHE H 1 78 ALA H 3.000 . 3.000 2.802 2.650 2.938 . 0 0 "[ . 1 . 2]" 1
619 1 77 PHE HA 1 80 HIS QB 4.000 . 4.000 3.390 2.631 3.985 . 0 0 "[ . 1 . 2]" 1
620 1 77 PHE QD 1 81 MET ME 5.000 . 5.000 3.601 2.438 4.990 . 0 0 "[ . 1 . 2]" 1
621 1 77 PHE QE 1 81 MET ME 5.000 . 5.000 3.095 2.420 3.967 . 0 0 "[ . 1 . 2]" 1
622 1 77 PHE HZ 1 81 MET ME 5.000 . 5.000 4.081 3.095 4.952 . 0 0 "[ . 1 . 2]" 1
623 1 77 PHE QB 1 78 ALA H 4.000 . 4.000 2.355 2.231 2.607 . 0 0 "[ . 1 . 2]" 1
624 1 77 PHE HA 1 80 HIS H 5.000 . 5.000 3.884 3.487 4.345 . 0 0 "[ . 1 . 2]" 1
625 1 78 ALA H 1 79 LYS H 4.000 . 4.000 2.542 2.385 2.714 . 0 0 "[ . 1 . 2]" 1
626 1 78 ALA HA 1 81 MET H 5.000 . 5.000 3.400 3.100 3.637 . 0 0 "[ . 1 . 2]" 1
627 1 78 ALA HA 1 81 MET QB 4.000 . 4.000 2.713 2.134 3.618 . 0 0 "[ . 1 . 2]" 1
628 1 78 ALA HA 1 81 MET ME 5.000 . 5.000 2.787 1.800 4.442 . 0 0 "[ . 1 . 2]" 1
629 1 78 ALA HA 1 82 LEU H 5.000 . 5.000 4.285 3.957 4.973 . 0 0 "[ . 1 . 2]" 1
630 1 78 ALA MB 1 82 LEU MD1 5.000 . 5.000 3.372 2.872 4.029 . 0 0 "[ . 1 . 2]" 1
631 1 78 ALA MB 1 79 LYS H 4.000 . 4.000 2.587 2.392 2.714 . 0 0 "[ . 1 . 2]" 1
632 1 79 LYS H 1 80 HIS H 3.000 . 3.000 2.746 2.571 2.974 . 0 0 "[ . 1 . 2]" 1
633 1 79 LYS HA 1 82 LEU H 5.000 . 5.000 3.576 3.148 4.150 . 0 0 "[ . 1 . 2]" 1
634 1 79 LYS HA 1 82 LEU MD1 5.000 . 5.000 2.686 1.949 3.873 . 0 0 "[ . 1 . 2]" 1
635 1 79 LYS QB 1 80 HIS H 4.000 . 4.000 2.535 2.236 2.823 . 0 0 "[ . 1 . 2]" 1
636 1 80 HIS H 1 81 MET H 3.000 . 3.000 2.544 2.338 2.633 . 0 0 "[ . 1 . 2]" 1
637 1 80 HIS HA 1 83 GLU H 5.000 . 5.000 3.284 2.916 3.744 . 0 0 "[ . 1 . 2]" 1
638 1 80 HIS HA 1 83 GLU HB2 5.000 . 5.000 2.969 2.304 4.011 . 0 0 "[ . 1 . 2]" 1
639 1 80 HIS HA 1 83 GLU HB3 5.000 . 5.000 3.191 1.843 4.910 . 0 0 "[ . 1 . 2]" 1
640 1 80 HIS HA 1 83 GLU QG 5.000 . 5.000 3.607 2.070 4.864 . 0 0 "[ . 1 . 2]" 1
641 1 80 HIS QB 1 81 MET H 4.000 . 4.000 2.945 2.616 3.138 . 0 0 "[ . 1 . 2]" 1
642 1 81 MET H 1 82 LEU H 3.000 . 3.000 2.512 2.295 2.846 . 0 0 "[ . 1 . 2]" 1
643 1 81 MET HA 1 84 LYS H 5.000 . 5.000 3.468 3.174 4.085 . 0 0 "[ . 1 . 2]" 1
644 1 81 MET HA 1 84 LYS QG 5.000 . 5.000 4.338 2.725 5.014 0.014 17 0 "[ . 1 . 2]" 1
645 1 81 MET H 1 81 MET QG 4.000 . 4.000 2.968 2.163 3.984 . 0 0 "[ . 1 . 2]" 1
646 1 81 MET QB 1 82 LEU H 4.000 . 4.000 2.566 2.304 2.831 . 0 0 "[ . 1 . 2]" 1
647 1 82 LEU H 1 83 GLU H 3.000 . 3.000 2.534 2.420 2.664 . 0 0 "[ . 1 . 2]" 1
648 1 82 LEU HA 1 82 LEU MD2 4.000 . 4.000 2.160 2.016 3.672 . 0 0 "[ . 1 . 2]" 1
649 1 82 LEU HA 1 88 TYR QD 5.000 . 5.000 2.714 1.795 3.681 0.005 8 0 "[ . 1 . 2]" 1
650 1 82 LEU HA 1 88 TYR QE 5.000 . 5.000 4.445 3.430 5.026 0.026 11 0 "[ . 1 . 2]" 1
651 1 82 LEU QB 1 83 GLU H 4.000 . 4.000 2.700 2.526 2.973 . 0 0 "[ . 1 . 2]" 1
652 1 82 LEU MD2 1 88 TYR HB2 5.000 . 5.000 3.029 2.373 3.508 . 0 0 "[ . 1 . 2]" 1
653 1 82 LEU MD2 1 88 TYR HB3 5.000 . 5.000 2.346 1.815 3.070 . 0 0 "[ . 1 . 2]" 1
654 1 82 LEU MD2 1 88 TYR QD 5.000 . 5.000 2.737 1.896 3.736 . 0 0 "[ . 1 . 2]" 1
655 1 82 LEU MD2 1 88 TYR QE 5.000 . 5.000 3.812 3.167 5.016 0.016 17 0 "[ . 1 . 2]" 1
656 1 82 LEU MD2 1 92 TYR QB 5.000 . 5.000 3.127 2.222 3.871 . 0 0 "[ . 1 . 2]" 1
657 1 82 LEU MD1 1 92 TYR QD 5.000 . 5.000 2.586 2.009 4.078 . 0 0 "[ . 1 . 2]" 1
658 1 82 LEU MD1 1 92 TYR QE 5.000 . 5.000 3.277 2.544 4.713 . 0 0 "[ . 1 . 2]" 1
659 1 82 LEU HA 1 85 GLU H 5.000 . 5.000 3.770 3.033 4.429 . 0 0 "[ . 1 . 2]" 1
660 1 82 LEU MD2 1 91 VAL MG2 5.000 . 5.000 3.901 2.589 4.727 . 0 0 "[ . 1 . 2]" 1
661 1 82 LEU H 1 82 LEU HG 4.000 . 4.000 2.359 1.990 3.683 . 0 0 "[ . 1 . 2]" 1
662 1 83 GLU H 1 84 LYS H 4.000 . 4.000 2.519 2.320 2.692 . 0 0 "[ . 1 . 2]" 1
663 1 83 GLU QG 1 92 TYR QE 5.000 . 5.000 3.333 1.935 5.043 0.043 4 0 "[ . 1 . 2]" 1
664 1 83 GLU HA 1 92 TYR QE 5.000 . 5.000 3.534 1.965 5.017 0.017 11 0 "[ . 1 . 2]" 1
665 1 83 GLU H 1 83 GLU QG 4.000 . 4.000 3.170 1.996 4.021 0.021 19 0 "[ . 1 . 2]" 1
666 1 84 LYS QB 1 85 GLU H 4.000 . 4.000 2.655 2.275 3.739 . 0 0 "[ . 1 . 2]" 1
667 1 85 GLU HA 1 86 ASP H 3.000 . 3.000 2.188 2.067 2.524 . 0 0 "[ . 1 . 2]" 1
668 1 85 GLU QB 1 88 TYR H 5.000 . 5.000 3.617 2.940 4.550 . 0 0 "[ . 1 . 2]" 1
669 1 85 GLU QB 1 88 TYR QD 5.000 . 5.000 2.578 1.790 4.835 0.010 14 0 "[ . 1 . 2]" 1
670 1 85 GLU QB 1 88 TYR QE 5.000 . 5.000 3.147 1.945 4.834 . 0 0 "[ . 1 . 2]" 1
671 1 85 GLU QG 1 87 SER H 4.000 . 4.000 2.345 1.785 2.787 0.015 2 0 "[ . 1 . 2]" 1
672 1 85 GLU QG 1 88 TYR H 4.000 . 4.000 3.191 2.085 4.027 0.027 2 0 "[ . 1 . 2]" 1
673 1 85 GLU QG 1 88 TYR QD 5.000 . 5.000 3.249 2.025 4.437 . 0 0 "[ . 1 . 2]" 1
674 1 85 GLU QG 1 88 TYR QE 5.000 . 5.000 3.342 2.385 4.349 . 0 0 "[ . 1 . 2]" 1
675 1 86 ASP H 1 87 SER H 4.000 . 4.000 2.599 2.303 2.779 . 0 0 "[ . 1 . 2]" 1
676 1 86 ASP HA 1 88 TYR H 5.000 . 5.000 3.713 3.257 4.454 . 0 0 "[ . 1 . 2]" 1
677 1 86 ASP HA 1 89 GLN H 5.000 . 5.000 3.485 2.841 3.948 . 0 0 "[ . 1 . 2]" 1
678 1 86 ASP HA 1 89 GLN QE 5.000 . 5.000 2.800 1.758 4.837 0.042 11 0 "[ . 1 . 2]" 1
679 1 86 ASP QB 1 87 SER H 4.000 . 4.000 3.282 2.627 3.817 . 0 0 "[ . 1 . 2]" 1
680 1 87 SER H 1 88 TYR H 4.000 . 4.000 2.630 2.443 2.760 . 0 0 "[ . 1 . 2]" 1
681 1 87 SER HA 1 89 GLN H 5.000 . 5.000 3.891 3.407 4.448 . 0 0 "[ . 1 . 2]" 1
682 1 88 TYR H 1 89 GLN H 3.000 . 3.000 2.324 2.049 2.611 . 0 0 "[ . 1 . 2]" 1
683 1 88 TYR HA 1 91 VAL H 5.000 . 5.000 3.995 3.406 4.920 . 0 0 "[ . 1 . 2]" 1
684 1 88 TYR HA 1 91 VAL MG2 5.000 . 5.000 3.319 2.319 4.316 . 0 0 "[ . 1 . 2]" 1
685 1 88 TYR QB 1 91 VAL MG2 5.000 . 5.000 3.561 2.592 4.321 . 0 0 "[ . 1 . 2]" 1
686 1 89 GLN H 1 90 ASP H 4.000 . 4.000 2.751 2.492 3.859 . 0 0 "[ . 1 . 2]" 1
687 1 89 GLN HA 1 91 VAL H 5.000 . 5.000 4.135 3.688 4.524 . 0 0 "[ . 1 . 2]" 1
688 1 89 GLN HA 1 92 TYR H 4.000 . 4.000 3.181 2.581 3.796 . 0 0 "[ . 1 . 2]" 1
689 1 89 GLN H 1 89 GLN QG 4.000 . 4.000 3.244 2.292 4.032 0.032 17 0 "[ . 1 . 2]" 1
690 1 90 ASP H 1 91 VAL H 3.000 . 3.000 2.497 1.951 2.908 . 0 0 "[ . 1 . 2]" 1
691 1 91 VAL H 1 91 VAL MG2 3.000 . 3.000 1.917 1.818 2.068 . 0 0 "[ . 1 . 2]" 1
692 1 91 VAL H 1 92 TYR H 3.000 . 3.000 2.197 1.902 2.447 . 0 0 "[ . 1 . 2]" 1
693 1 91 VAL HA 1 91 VAL HB 2.800 . 2.800 2.507 2.480 2.540 . 0 0 "[ . 1 . 2]" 1
694 1 91 VAL HA 1 91 VAL MG1 3.000 . 3.000 2.297 2.239 2.334 . 0 0 "[ . 1 . 2]" 1
695 1 91 VAL MG2 1 92 TYR H 4.000 . 4.000 2.661 2.079 3.326 . 0 0 "[ . 1 . 2]" 1
696 1 92 TYR HA 1 93 LEU H 3.000 . 3.000 2.163 2.116 2.219 . 0 0 "[ . 1 . 2]" 1
697 1 92 TYR QD 1 93 LEU H 5.000 . 5.000 3.179 2.764 3.693 . 0 0 "[ . 1 . 2]" 1
698 1 92 TYR QE 1 94 GLY HA2 5.000 . 5.000 3.059 2.310 5.035 0.035 2 0 "[ . 1 . 2]" 1
699 1 92 TYR QE 1 94 GLY HA3 5.000 . 5.000 3.318 2.450 4.632 . 0 0 "[ . 1 . 2]" 1
700 1 93 LEU H 1 94 GLY H 4.000 . 4.000 3.363 1.978 4.066 0.066 12 0 "[ . 1 . 2]" 1
701 1 93 LEU HA 1 93 LEU MD2 4.000 . 4.000 2.554 1.920 3.781 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 58
_Distance_constraint_stats_list.Viol_count 157
_Distance_constraint_stats_list.Viol_total 57.839
_Distance_constraint_stats_list.Viol_max 0.086
_Distance_constraint_stats_list.Viol_rms 0.0086
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0025
_Distance_constraint_stats_list.Viol_average_violations_only 0.0184
_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 7 LYS 0.070 0.026 8 0 "[ . 1 . 2]"
1 9 GLY 0.250 0.062 8 0 "[ . 1 . 2]"
1 11 ASN 0.065 0.032 8 0 "[ . 1 . 2]"
1 12 LYS 0.250 0.062 8 0 "[ . 1 . 2]"
1 13 PHE 0.010 0.009 20 0 "[ . 1 . 2]"
1 14 TYR 0.070 0.026 8 0 "[ . 1 . 2]"
1 15 ILE 0.615 0.086 5 0 "[ . 1 . 2]"
1 24 ALA 0.615 0.086 5 0 "[ . 1 . 2]"
1 25 GLU 0.142 0.053 6 0 "[ . 1 . 2]"
1 26 ILE 0.010 0.009 20 0 "[ . 1 . 2]"
1 27 THR 0.010 0.010 19 0 "[ . 1 . 2]"
1 28 TYR 0.065 0.032 8 0 "[ . 1 . 2]"
1 29 ARG 0.262 0.054 15 0 "[ . 1 . 2]"
1 31 VAL 0.068 0.028 19 0 "[ . 1 . 2]"
1 34 ASN 0.076 0.034 15 0 "[ . 1 . 2]"
1 35 GLU 0.068 0.028 19 0 "[ . 1 . 2]"
1 36 ILE 0.022 0.008 3 0 "[ . 1 . 2]"
1 37 ASN 0.262 0.054 15 0 "[ . 1 . 2]"
1 38 ILE 0.028 0.015 11 0 "[ . 1 . 2]"
1 40 HIS 0.010 0.010 19 0 "[ . 1 . 2]"
1 42 GLY 0.142 0.053 6 0 "[ . 1 . 2]"
1 52 VAL 0.207 0.049 19 0 "[ . 1 . 2]"
1 53 GLY 0.038 0.020 7 0 "[ . 1 . 2]"
1 54 LYS 0.012 0.012 3 0 "[ . 1 . 2]"
1 55 LYS 0.119 0.083 13 0 "[ . 1 . 2]"
1 56 LEU 0.253 0.049 19 0 "[ . 1 . 2]"
1 57 LEU 0.110 0.043 16 0 "[ . 1 . 2]"
1 58 LYS 0.143 0.030 18 0 "[ . 1 . 2]"
1 59 ALA 0.119 0.083 13 0 "[ . 1 . 2]"
1 60 VAL 0.046 0.018 5 0 "[ . 1 . 2]"
1 61 VAL 0.179 0.043 16 0 "[ . 1 . 2]"
1 62 GLU 0.200 0.032 11 0 "[ . 1 . 2]"
1 63 HIS 0.286 0.063 2 0 "[ . 1 . 2]"
1 64 ALA 0.153 0.035 14 0 "[ . 1 . 2]"
1 65 ARG 0.107 0.031 6 0 "[ . 1 . 2]"
1 66 GLU 0.070 0.032 11 0 "[ . 1 . 2]"
1 67 ASN 0.286 0.063 2 0 "[ . 1 . 2]"
1 69 LEU 0.153 0.035 14 0 "[ . 1 . 2]"
1 70 LYS 0.098 0.034 15 0 "[ . 1 . 2]"
1 71 ILE 0.031 0.009 4 0 "[ . 1 . 2]"
1 72 ILE 0.028 0.015 11 0 "[ . 1 . 2]"
1 91 VAL 0.031 0.009 4 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 LYS H 1 14 TYR O 1.800 . 2.400 2.080 1.894 2.426 0.026 8 0 "[ . 1 . 2]" 2
2 1 7 LYS N 1 14 TYR O 2.600 2.600 3.500 2.943 2.813 3.235 . 0 0 "[ . 1 . 2]" 2
3 1 9 GLY O 1 12 LYS H 1.800 . 2.400 2.359 1.858 2.462 0.062 8 0 "[ . 1 . 2]" 2
4 1 9 GLY O 1 12 LYS N 2.600 2.600 3.500 3.322 2.697 3.418 . 0 0 "[ . 1 . 2]" 2
5 1 13 PHE H 1 26 ILE O 1.800 . 2.400 1.972 1.821 2.212 . 0 0 "[ . 1 . 2]" 2
6 1 13 PHE N 1 26 ILE O 2.600 2.600 3.500 2.918 2.802 3.105 . 0 0 "[ . 1 . 2]" 2
7 1 7 LYS O 1 14 TYR H 1.800 . 2.400 1.986 1.785 2.419 0.019 20 0 "[ . 1 . 2]" 2
8 1 7 LYS O 1 14 TYR N 2.600 2.600 3.500 2.957 2.761 3.388 . 0 0 "[ . 1 . 2]" 2
9 1 15 ILE H 1 24 ALA O 1.800 . 2.400 1.818 1.756 1.956 0.044 8 0 "[ . 1 . 2]" 2
10 1 15 ILE N 1 24 ALA O 2.600 2.600 3.500 2.778 2.713 2.902 . 0 0 "[ . 1 . 2]" 2
11 1 15 ILE O 1 24 ALA H 1.800 . 2.400 2.349 1.964 2.486 0.086 5 0 "[ . 1 . 2]" 2
12 1 15 ILE O 1 24 ALA N 2.600 2.600 3.500 3.228 2.841 3.437 . 0 0 "[ . 1 . 2]" 2
13 1 25 GLU H 1 42 GLY O 1.800 . 2.400 2.159 1.868 2.453 0.053 6 0 "[ . 1 . 2]" 2
14 1 25 GLU N 1 42 GLY O 2.600 2.600 3.500 3.026 2.802 3.291 . 0 0 "[ . 1 . 2]" 2
15 1 13 PHE O 1 26 ILE H 1.800 . 2.400 1.911 1.791 2.363 0.009 20 0 "[ . 1 . 2]" 2
16 1 13 PHE O 1 26 ILE N 2.600 2.600 3.500 2.862 2.761 3.169 . 0 0 "[ . 1 . 2]" 2
17 1 27 THR H 1 40 HIS O 1.800 . 2.400 2.041 1.790 2.324 0.010 19 0 "[ . 1 . 2]" 2
18 1 27 THR N 1 40 HIS O 2.600 2.600 3.500 2.986 2.770 3.284 . 0 0 "[ . 1 . 2]" 2
19 1 11 ASN O 1 28 TYR H 1.800 . 2.400 2.092 1.785 2.432 0.032 8 0 "[ . 1 . 2]" 2
20 1 11 ASN O 1 28 TYR N 2.600 2.600 3.500 3.047 2.752 3.394 . 0 0 "[ . 1 . 2]" 2
21 1 29 ARG H 1 37 ASN O 1.800 . 2.400 2.018 1.785 2.435 0.035 20 0 "[ . 1 . 2]" 2
22 1 29 ARG N 1 37 ASN O 2.600 2.600 3.500 2.918 2.737 3.274 . 0 0 "[ . 1 . 2]" 2
23 1 31 VAL H 1 35 GLU O 1.800 . 2.400 2.232 1.899 2.428 0.028 19 0 "[ . 1 . 2]" 2
24 1 31 VAL N 1 35 GLU O 2.600 2.600 3.500 3.081 2.801 3.374 . 0 0 "[ . 1 . 2]" 2
25 1 36 ILE H 1 70 LYS O 1.800 . 2.400 1.890 1.792 2.075 0.008 3 0 "[ . 1 . 2]" 2
26 1 36 ILE N 1 70 LYS O 2.600 2.600 3.500 2.839 2.726 3.044 . 0 0 "[ . 1 . 2]" 2
27 1 29 ARG O 1 37 ASN H 1.800 . 2.400 1.881 1.746 2.277 0.054 15 0 "[ . 1 . 2]" 2
28 1 29 ARG O 1 37 ASN N 2.600 2.600 3.500 2.831 2.697 3.205 . 0 0 "[ . 1 . 2]" 2
29 1 38 ILE H 1 72 ILE O 1.800 . 2.400 1.922 1.785 2.287 0.015 11 0 "[ . 1 . 2]" 2
30 1 38 ILE N 1 72 ILE O 2.600 2.600 3.500 2.847 2.693 3.142 . 0 0 "[ . 1 . 2]" 2
31 1 52 VAL O 1 56 LEU H 1.800 . 2.400 2.280 2.016 2.449 0.049 19 0 "[ . 1 . 2]" 2
32 1 52 VAL O 1 56 LEU N 2.600 2.600 3.500 3.217 2.966 3.414 . 0 0 "[ . 1 . 2]" 2
33 1 53 GLY O 1 57 LEU H 1.800 . 2.400 2.057 1.796 2.420 0.020 7 0 "[ . 1 . 2]" 2
34 1 53 GLY O 1 57 LEU N 2.600 2.600 3.500 3.016 2.735 3.401 . 0 0 "[ . 1 . 2]" 2
35 1 54 LYS O 1 58 LYS H 1.800 . 2.400 1.922 1.788 2.339 0.012 3 0 "[ . 1 . 2]" 2
36 1 54 LYS O 1 58 LYS N 2.600 2.600 3.500 2.828 2.689 3.090 . 0 0 "[ . 1 . 2]" 2
37 1 55 LYS O 1 59 ALA H 1.800 . 2.400 2.281 1.970 2.483 0.083 13 0 "[ . 1 . 2]" 2
38 1 55 LYS O 1 59 ALA N 2.600 2.600 3.500 3.201 2.905 3.444 . 0 0 "[ . 1 . 2]" 2
39 1 56 LEU O 1 60 VAL H 1.800 . 2.400 2.198 1.930 2.418 0.018 5 0 "[ . 1 . 2]" 2
40 1 56 LEU O 1 60 VAL N 2.600 2.600 3.500 3.132 2.877 3.353 . 0 0 "[ . 1 . 2]" 2
41 1 57 LEU O 1 61 VAL H 1.800 . 2.400 1.867 1.757 2.047 0.043 16 0 "[ . 1 . 2]" 2
42 1 57 LEU O 1 61 VAL N 2.600 2.600 3.500 2.838 2.719 3.003 . 0 0 "[ . 1 . 2]" 2
43 1 58 LYS O 1 62 GLU H 1.800 . 2.400 1.859 1.770 2.132 0.030 18 0 "[ . 1 . 2]" 2
44 1 58 LYS O 1 62 GLU N 2.600 2.600 3.500 2.787 2.697 3.025 . 0 0 "[ . 1 . 2]" 2
45 1 61 VAL O 1 65 ARG H 1.800 . 2.400 1.870 1.769 2.096 0.031 6 0 "[ . 1 . 2]" 2
46 1 61 VAL O 1 65 ARG N 2.600 2.600 3.500 2.805 2.659 2.975 . 0 0 "[ . 1 . 2]" 2
47 1 62 GLU O 1 66 GLU H 1.800 . 2.400 2.158 1.835 2.432 0.032 11 0 "[ . 1 . 2]" 2
48 1 62 GLU O 1 66 GLU N 2.600 2.600 3.500 3.052 2.786 3.369 . 0 0 "[ . 1 . 2]" 2
49 1 63 HIS O 1 67 ASN H 1.800 . 2.400 2.312 1.985 2.463 0.063 2 0 "[ . 1 . 2]" 2
50 1 63 HIS O 1 67 ASN N 2.600 2.600 3.500 3.189 2.911 3.427 . 0 0 "[ . 1 . 2]" 2
51 1 64 ALA O 1 69 LEU H 1.800 . 2.400 1.838 1.765 2.231 0.035 14 0 "[ . 1 . 2]" 2
52 1 64 ALA O 1 69 LEU N 2.600 2.600 3.500 2.765 2.682 3.060 . 0 0 "[ . 1 . 2]" 2
53 1 34 ASN O 1 70 LYS H 1.800 . 2.400 1.904 1.785 2.434 0.034 15 0 "[ . 1 . 2]" 2
54 1 34 ASN O 1 70 LYS N 2.600 2.600 3.500 2.851 2.716 3.377 . 0 0 "[ . 1 . 2]" 2
55 1 71 ILE H 1 91 VAL O 1.800 . 2.400 1.946 1.791 2.213 0.009 4 0 "[ . 1 . 2]" 2
56 1 71 ILE N 1 91 VAL O 2.600 2.600 3.500 2.896 2.735 3.115 . 0 0 "[ . 1 . 2]" 2
57 1 36 ILE O 1 72 ILE H 1.800 . 2.400 1.996 1.843 2.234 . 0 0 "[ . 1 . 2]" 2
58 1 36 ILE O 1 72 ILE N 2.600 2.600 3.500 2.975 2.826 3.215 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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