NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
381884 |
1j8c   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1j8c
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 721
_Distance_constraint_stats_list.Viol_count 950
_Distance_constraint_stats_list.Viol_total 1571.931
_Distance_constraint_stats_list.Viol_max 1.542
_Distance_constraint_stats_list.Viol_rms 0.0481
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0055
_Distance_constraint_stats_list.Viol_average_violations_only 0.0827
_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 30 PRO 4.627 0.280 1 0 "[ . 1 . 2]"
1 31 LYS 0.620 0.063 20 0 "[ . 1 . 2]"
1 32 ILE 15.510 1.542 13 7 "[ .* * - + * **2]"
1 33 ILE 7.174 0.185 9 0 "[ . 1 . 2]"
1 34 LYS 10.003 1.542 13 7 "[ .* * - + * **2]"
1 35 VAL 0.141 0.084 3 0 "[ . 1 . 2]"
1 36 THR 0.417 0.084 3 0 "[ . 1 . 2]"
1 37 VAL 0.528 0.037 12 0 "[ . 1 . 2]"
1 38 LYS 0.002 0.002 5 0 "[ . 1 . 2]"
1 39 THR 0.763 0.060 17 0 "[ . 1 . 2]"
1 40 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LYS 0.085 0.049 17 0 "[ . 1 . 2]"
1 42 GLU 0.087 0.049 17 0 "[ . 1 . 2]"
1 43 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLU 0.247 0.037 8 0 "[ . 1 . 2]"
1 45 GLU 0.011 0.011 14 0 "[ . 1 . 2]"
1 46 PHE 1.898 0.105 11 0 "[ . 1 . 2]"
1 47 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 VAL 3.750 0.208 11 0 "[ . 1 . 2]"
1 49 PRO 8.445 0.442 1 0 "[ . 1 . 2]"
1 50 GLU 10.119 0.442 1 0 "[ . 1 . 2]"
1 51 ASN 0.992 0.128 1 0 "[ . 1 . 2]"
1 52 SER 21.399 1.329 20 20 [****************-**+]
1 53 SER 0.328 0.046 2 0 "[ . 1 . 2]"
1 54 VAL 22.158 1.329 20 20 [****************-**+]
1 55 GLN 0.019 0.019 19 0 "[ . 1 . 2]"
1 56 GLN 0.247 0.046 2 0 "[ . 1 . 2]"
1 57 PHE 0.087 0.051 10 0 "[ . 1 . 2]"
1 58 LYS 3.093 0.182 3 0 "[ . 1 . 2]"
1 59 GLU 0.005 0.005 8 0 "[ . 1 . 2]"
1 60 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ILE 1.098 0.060 17 0 "[ . 1 . 2]"
1 62 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LYS 0.095 0.023 17 0 "[ . 1 . 2]"
1 64 ARG 0.143 0.024 14 0 "[ . 1 . 2]"
1 65 PHE 0.322 0.035 17 0 "[ . 1 . 2]"
1 66 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 SER 0.147 0.023 17 0 "[ . 1 . 2]"
1 68 GLN 0.079 0.048 8 0 "[ . 1 . 2]"
1 69 THR 0.067 0.027 8 0 "[ . 1 . 2]"
1 70 ASP 0.017 0.014 8 0 "[ . 1 . 2]"
1 71 GLN 0.123 0.048 8 0 "[ . 1 . 2]"
1 72 LEU 0.083 0.022 8 0 "[ . 1 . 2]"
1 73 VAL 0.162 0.055 13 0 "[ . 1 . 2]"
1 74 LEU 1.223 0.093 20 0 "[ . 1 . 2]"
1 75 ILE 0.921 0.089 17 0 "[ . 1 . 2]"
1 76 PHE 2.408 0.093 20 0 "[ . 1 . 2]"
1 77 ALA 0.011 0.011 11 0 "[ . 1 . 2]"
1 78 GLY 0.168 0.030 4 0 "[ . 1 . 2]"
1 79 LYS 0.061 0.016 11 0 "[ . 1 . 2]"
1 80 ILE 1.539 0.253 3 0 "[ . 1 . 2]"
1 81 LEU 1.922 0.123 5 0 "[ . 1 . 2]"
1 82 LYS 0.410 0.094 20 0 "[ . 1 . 2]"
1 83 ASP 0.033 0.020 10 0 "[ . 1 . 2]"
1 84 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 ASP 0.597 0.135 16 0 "[ . 1 . 2]"
1 86 THR 1.006 0.199 19 0 "[ . 1 . 2]"
1 87 LEU 7.696 0.487 8 0 "[ . 1 . 2]"
1 88 ILE 2.479 0.199 19 0 "[ . 1 . 2]"
1 89 GLN 0.750 0.067 16 0 "[ . 1 . 2]"
1 90 HIS 4.706 0.175 2 0 "[ . 1 . 2]"
1 91 GLY 0.392 0.060 4 0 "[ . 1 . 2]"
1 92 ILE 5.480 0.185 9 0 "[ . 1 . 2]"
1 93 HIS 0.216 0.037 9 0 "[ . 1 . 2]"
1 94 ASP 1.798 0.092 19 0 "[ . 1 . 2]"
1 95 GLY 0.059 0.018 15 0 "[ . 1 . 2]"
1 96 LEU 1.060 0.102 3 0 "[ . 1 . 2]"
1 97 THR 0.046 0.023 1 0 "[ . 1 . 2]"
1 98 VAL 0.910 0.085 5 0 "[ . 1 . 2]"
1 99 HIS 0.947 0.089 17 0 "[ . 1 . 2]"
1 100 LEU 0.131 0.028 13 0 "[ . 1 . 2]"
1 101 VAL 0.137 0.055 13 0 "[ . 1 . 2]"
1 102 ILE 0.539 0.046 13 0 "[ . 1 . 2]"
1 103 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 30 PRO HA 1 32 ILE HA 4.000 . 4.500 4.729 4.653 4.780 0.280 1 0 "[ . 1 . 2]" 1
2 1 30 PRO HA 1 32 ILE MD 3.000 . 3.500 2.810 2.196 3.541 0.041 16 0 "[ . 1 . 2]" 1
3 1 31 LYS H 1 31 LYS QG 4.000 . 4.500 3.063 2.387 4.210 . 0 0 "[ . 1 . 2]" 1
4 1 31 LYS H 1 32 ILE H 5.000 . 5.500 3.272 2.795 3.765 . 0 0 "[ . 1 . 2]" 1
5 1 31 LYS H 1 49 PRO QB 5.000 . 5.500 5.173 4.546 5.563 0.063 20 0 "[ . 1 . 2]" 1
6 1 31 LYS H 1 50 GLU H 5.000 . 5.500 4.621 3.442 5.360 . 0 0 "[ . 1 . 2]" 1
7 1 31 LYS H 1 50 GLU QB 5.000 . 5.500 4.282 2.656 5.532 0.032 5 0 "[ . 1 . 2]" 1
8 1 31 LYS H 1 50 GLU QG 5.000 . 5.500 4.641 2.983 5.528 0.028 7 0 "[ . 1 . 2]" 1
9 1 31 LYS HA 1 31 LYS QG 3.000 . 3.500 2.140 1.966 2.358 . 0 0 "[ . 1 . 2]" 1
10 1 31 LYS HA 1 32 ILE H 4.000 . 4.500 2.679 2.518 2.881 . 0 0 "[ . 1 . 2]" 1
11 1 31 LYS QB 1 32 ILE H 4.000 . 4.500 3.880 3.786 4.004 . 0 0 "[ . 1 . 2]" 1
12 1 31 LYS QG 1 32 ILE H 4.000 . 4.500 4.409 4.005 4.534 0.034 14 0 "[ . 1 . 2]" 1
13 1 32 ILE H 1 32 ILE HB 4.000 . 4.500 2.305 2.059 2.422 . 0 0 "[ . 1 . 2]" 1
14 1 32 ILE H 1 32 ILE MG 4.000 . 4.500 3.630 2.591 3.705 . 0 0 "[ . 1 . 2]" 1
15 1 32 ILE H 1 33 ILE H 5.000 . 5.500 4.493 4.331 4.652 . 0 0 "[ . 1 . 2]" 1
16 1 32 ILE HA 1 32 ILE MD 3.000 . 3.500 3.038 1.935 3.538 0.038 10 0 "[ . 1 . 2]" 1
17 1 32 ILE HA 1 32 ILE MG 3.000 . 3.500 2.481 2.367 3.178 . 0 0 "[ . 1 . 2]" 1
18 1 32 ILE HA 1 33 ILE H 4.000 . 4.500 2.246 2.205 2.313 . 0 0 "[ . 1 . 2]" 1
19 1 32 ILE HB 1 33 ILE H 5.000 . 5.500 4.439 4.135 4.630 . 0 0 "[ . 1 . 2]" 1
20 1 32 ILE MD 1 48 VAL HA 5.000 . 5.500 4.918 2.358 5.533 0.033 18 0 "[ . 1 . 2]" 1
21 1 32 ILE QG 1 32 ILE MG 3.000 . 3.500 2.040 1.882 2.376 . 0 0 "[ . 1 . 2]" 1
22 1 32 ILE QG 1 33 ILE H 4.000 . 4.500 4.196 2.766 4.633 0.133 12 0 "[ . 1 . 2]" 1
23 1 32 ILE MG 1 33 ILE H 4.000 . 4.500 3.012 2.426 3.677 . 0 0 "[ . 1 . 2]" 1
24 1 32 ILE MG 1 34 LYS QG 3.000 . 3.500 3.986 3.303 5.042 1.542 13 7 "[ .* * - + * **2]" 1
25 1 32 ILE MG 1 47 ALA HA 4.000 . 4.500 2.932 2.597 3.960 . 0 0 "[ . 1 . 2]" 1
26 1 33 ILE H 1 33 ILE MD 5.000 . 5.500 3.362 3.059 3.647 . 0 0 "[ . 1 . 2]" 1
27 1 33 ILE H 1 33 ILE MG 4.000 . 4.500 2.219 1.942 2.562 . 0 0 "[ . 1 . 2]" 1
28 1 33 ILE H 1 48 VAL H 5.000 . 5.500 3.387 2.813 3.876 . 0 0 "[ . 1 . 2]" 1
29 1 33 ILE H 1 48 VAL QG 5.000 . 5.500 3.027 2.677 3.506 . 0 0 "[ . 1 . 2]" 1
30 1 33 ILE H 1 50 GLU H 5.000 . 5.500 3.101 2.623 3.698 . 0 0 "[ . 1 . 2]" 1
31 1 33 ILE HA 1 33 ILE HB 3.000 . 3.500 2.419 2.387 2.442 . 0 0 "[ . 1 . 2]" 1
32 1 33 ILE HA 1 33 ILE MD 3.500 . 4.000 4.120 4.106 4.136 0.136 20 0 "[ . 1 . 2]" 1
33 1 33 ILE HA 1 33 ILE MG 3.000 . 3.500 2.367 2.312 2.440 . 0 0 "[ . 1 . 2]" 1
34 1 33 ILE HA 1 34 LYS H 3.000 . 3.500 2.362 2.274 2.531 . 0 0 "[ . 1 . 2]" 1
35 1 33 ILE HA 1 95 GLY H 5.000 . 5.500 5.286 4.267 5.518 0.018 15 0 "[ . 1 . 2]" 1
36 1 33 ILE HB 1 94 ASP HA 3.000 . 3.500 2.719 2.577 2.938 . 0 0 "[ . 1 . 2]" 1
37 1 33 ILE HB 1 94 ASP QB 4.000 . 4.500 4.535 4.501 4.592 0.092 19 0 "[ . 1 . 2]" 1
38 1 33 ILE MD 1 33 ILE MG 3.000 . 3.500 1.874 1.780 2.039 0.020 7 0 "[ . 1 . 2]" 1
39 1 33 ILE MD 1 34 LYS H 5.000 . 5.500 4.665 4.414 4.918 . 0 0 "[ . 1 . 2]" 1
40 1 33 ILE MD 1 50 GLU H 5.000 . 5.500 4.123 3.641 4.733 . 0 0 "[ . 1 . 2]" 1
41 1 33 ILE MD 1 87 LEU HA 4.000 . 4.500 4.502 4.312 4.664 0.164 1 0 "[ . 1 . 2]" 1
42 1 33 ILE MD 1 93 HIS HA 4.000 . 4.500 4.317 3.932 4.537 0.037 9 0 "[ . 1 . 2]" 1
43 1 33 ILE MD 1 94 ASP HA 4.000 . 4.500 4.383 4.066 4.537 0.037 19 0 "[ . 1 . 2]" 1
44 1 33 ILE QG 1 92 ILE H 5.000 . 5.500 5.582 5.465 5.685 0.185 9 0 "[ . 1 . 2]" 1
45 1 33 ILE QG 1 94 ASP H 5.000 . 5.500 5.529 5.414 5.558 0.058 1 0 "[ . 1 . 2]" 1
46 1 33 ILE MG 1 34 LYS H 5.000 . 5.500 4.010 3.839 4.152 . 0 0 "[ . 1 . 2]" 1
47 1 33 ILE MG 1 50 GLU H 5.000 . 5.500 3.061 2.606 3.393 . 0 0 "[ . 1 . 2]" 1
48 1 33 ILE MG 1 51 ASN H 5.000 . 5.500 5.067 4.663 5.487 . 0 0 "[ . 1 . 2]" 1
49 1 33 ILE MG 1 93 HIS HA 5.000 . 5.500 4.660 3.897 5.017 . 0 0 "[ . 1 . 2]" 1
50 1 33 ILE MG 1 94 ASP H 5.000 . 5.500 5.119 4.304 5.382 . 0 0 "[ . 1 . 2]" 1
51 1 33 ILE MG 1 94 ASP HA 4.000 . 4.500 3.491 2.613 3.731 . 0 0 "[ . 1 . 2]" 1
52 1 33 ILE MG 1 94 ASP QB 4.000 . 4.500 4.365 3.804 4.518 0.018 10 0 "[ . 1 . 2]" 1
53 1 33 ILE MG 1 95 GLY H 5.000 . 5.500 5.183 4.505 5.437 . 0 0 "[ . 1 . 2]" 1
54 1 34 LYS H 1 34 LYS QB 3.000 . 3.500 2.162 2.034 2.333 . 0 0 "[ . 1 . 2]" 1
55 1 34 LYS H 1 94 ASP HA 5.000 . 5.500 3.186 2.828 3.465 . 0 0 "[ . 1 . 2]" 1
56 1 34 LYS H 1 94 ASP QB 5.000 . 5.500 4.844 4.474 5.091 . 0 0 "[ . 1 . 2]" 1
57 1 34 LYS H 1 95 GLY H 5.000 . 5.500 3.662 3.134 4.002 . 0 0 "[ . 1 . 2]" 1
58 1 34 LYS HA 1 35 VAL H 3.000 . 3.500 2.262 2.220 2.275 . 0 0 "[ . 1 . 2]" 1
59 1 34 LYS QB 1 35 VAL H 5.000 . 5.500 3.131 2.993 3.587 . 0 0 "[ . 1 . 2]" 1
60 1 34 LYS QB 1 94 ASP H 5.000 . 5.500 5.351 4.870 5.521 0.021 2 0 "[ . 1 . 2]" 1
61 1 34 LYS QB 1 95 GLY H 4.000 . 4.500 3.778 3.347 4.051 . 0 0 "[ . 1 . 2]" 1
62 1 34 LYS QG 1 35 VAL H 5.000 . 5.500 3.743 2.523 4.531 . 0 0 "[ . 1 . 2]" 1
63 1 35 VAL H 1 35 VAL HB 4.000 . 4.500 3.056 2.574 3.852 . 0 0 "[ . 1 . 2]" 1
64 1 35 VAL H 1 35 VAL QG 4.000 . 4.500 2.225 1.882 2.814 . 0 0 "[ . 1 . 2]" 1
65 1 35 VAL H 1 36 THR H 5.000 . 5.500 4.171 4.089 4.379 . 0 0 "[ . 1 . 2]" 1
66 1 35 VAL H 1 45 GLU QG 5.000 . 5.500 3.665 2.358 4.889 . 0 0 "[ . 1 . 2]" 1
67 1 35 VAL H 1 46 PHE H 5.000 . 5.500 2.601 2.245 2.891 . 0 0 "[ . 1 . 2]" 1
68 1 35 VAL H 1 46 PHE QB 5.000 . 5.500 3.868 3.628 4.186 . 0 0 "[ . 1 . 2]" 1
69 1 35 VAL HA 1 35 VAL QG 3.000 . 3.500 2.215 2.028 2.355 . 0 0 "[ . 1 . 2]" 1
70 1 35 VAL HA 1 36 THR H 3.000 . 3.500 2.221 2.201 2.254 . 0 0 "[ . 1 . 2]" 1
71 1 35 VAL HA 1 95 GLY H 5.000 . 5.500 4.397 3.861 4.989 . 0 0 "[ . 1 . 2]" 1
72 1 35 VAL HB 1 57 PHE QE 5.500 . 6.000 4.344 3.269 5.483 . 0 0 "[ . 1 . 2]" 1
73 1 35 VAL HB 1 57 PHE HZ 5.500 . 6.000 4.386 2.940 5.867 . 0 0 "[ . 1 . 2]" 1
74 1 35 VAL QG 1 36 THR H 3.000 . 3.500 3.071 2.850 3.584 0.084 3 0 "[ . 1 . 2]" 1
75 1 35 VAL QG 1 37 VAL H 5.000 . 5.500 3.766 3.421 4.162 . 0 0 "[ . 1 . 2]" 1
76 1 35 VAL QG 1 57 PHE QE 4.000 . 4.500 2.637 2.065 3.581 . 0 0 "[ . 1 . 2]" 1
77 1 35 VAL QG 1 57 PHE HZ 4.500 . 5.000 2.482 1.822 3.513 . 0 0 "[ . 1 . 2]" 1
78 1 35 VAL QG 1 95 GLY H 5.000 . 5.500 4.688 3.680 5.489 . 0 0 "[ . 1 . 2]" 1
79 1 36 THR H 1 36 THR HB 4.000 . 4.500 2.587 2.405 2.844 . 0 0 "[ . 1 . 2]" 1
80 1 36 THR H 1 37 VAL H 5.000 . 5.500 4.321 4.180 4.417 . 0 0 "[ . 1 . 2]" 1
81 1 36 THR H 1 97 THR HA 5.000 . 5.500 3.407 2.795 3.939 . 0 0 "[ . 1 . 2]" 1
82 1 36 THR H 1 98 VAL H 5.000 . 5.500 4.672 4.227 5.047 . 0 0 "[ . 1 . 2]" 1
83 1 36 THR HA 1 36 THR HG1 3.000 . 3.500 2.135 1.992 2.272 . 0 0 "[ . 1 . 2]" 1
84 1 36 THR HA 1 36 THR MG 3.000 . 3.500 2.203 2.065 2.361 . 0 0 "[ . 1 . 2]" 1
85 1 36 THR HA 1 45 GLU QB 4.000 . 4.500 3.634 2.563 4.139 . 0 0 "[ . 1 . 2]" 1
86 1 36 THR HA 1 45 GLU QG 4.000 . 4.500 2.442 1.963 4.511 0.011 14 0 "[ . 1 . 2]" 1
87 1 36 THR HA 1 98 VAL H 5.000 . 5.500 5.475 5.303 5.548 0.048 19 0 "[ . 1 . 2]" 1
88 1 36 THR HB 1 97 THR HA 3.000 . 3.500 1.977 1.876 2.127 . 0 0 "[ . 1 . 2]" 1
89 1 36 THR HB 1 97 THR HG1 4.000 . 4.500 2.692 2.103 4.088 . 0 0 "[ . 1 . 2]" 1
90 1 36 THR HB 1 98 VAL H 5.000 . 5.500 3.558 3.116 3.979 . 0 0 "[ . 1 . 2]" 1
91 1 36 THR HG1 1 37 VAL H 5.000 . 5.500 3.222 2.880 3.472 . 0 0 "[ . 1 . 2]" 1
92 1 36 THR HG1 1 38 LYS H 5.000 . 5.500 4.720 4.491 5.157 . 0 0 "[ . 1 . 2]" 1
93 1 36 THR HG1 1 44 GLU H 5.000 . 5.500 4.188 3.483 4.672 . 0 0 "[ . 1 . 2]" 1
94 1 36 THR HG1 1 45 GLU HA 4.000 . 4.500 3.332 2.797 3.715 . 0 0 "[ . 1 . 2]" 1
95 1 36 THR HG1 1 46 PHE H 5.000 . 5.500 4.786 4.134 5.201 . 0 0 "[ . 1 . 2]" 1
96 1 36 THR HG1 1 98 VAL H 5.000 . 5.500 4.100 3.684 4.368 . 0 0 "[ . 1 . 2]" 1
97 1 36 THR MG 1 97 THR HA 4.000 . 4.500 3.373 3.002 3.739 . 0 0 "[ . 1 . 2]" 1
98 1 37 VAL H 1 38 LYS H 5.000 . 5.500 4.505 4.470 4.525 . 0 0 "[ . 1 . 2]" 1
99 1 37 VAL H 1 44 GLU H 5.000 . 5.500 3.697 3.115 4.043 . 0 0 "[ . 1 . 2]" 1
100 1 37 VAL H 1 45 GLU HA 5.000 . 5.500 2.831 2.409 3.427 . 0 0 "[ . 1 . 2]" 1
101 1 37 VAL H 1 46 PHE H 5.000 . 5.500 4.124 3.780 4.647 . 0 0 "[ . 1 . 2]" 1
102 1 37 VAL H 1 46 PHE QD 5.000 . 5.500 3.850 3.573 3.980 . 0 0 "[ . 1 . 2]" 1
103 1 37 VAL H 1 46 PHE QE 5.000 . 5.500 5.447 5.274 5.527 0.027 4 0 "[ . 1 . 2]" 1
104 1 37 VAL HA 1 37 VAL QG 3.000 . 3.500 2.086 2.028 2.344 . 0 0 "[ . 1 . 2]" 1
105 1 37 VAL HA 1 38 LYS H 3.000 . 3.500 2.211 2.205 2.218 . 0 0 "[ . 1 . 2]" 1
106 1 37 VAL HA 1 44 GLU H 5.000 . 5.500 5.305 4.950 5.477 . 0 0 "[ . 1 . 2]" 1
107 1 37 VAL HB 1 38 LYS H 5.000 . 5.500 4.208 3.400 4.264 . 0 0 "[ . 1 . 2]" 1
108 1 37 VAL HB 1 46 PHE QD 4.000 . 4.500 3.427 2.824 4.511 0.011 18 0 "[ . 1 . 2]" 1
109 1 37 VAL HB 1 46 PHE QE 4.500 . 5.000 4.164 3.732 4.912 . 0 0 "[ . 1 . 2]" 1
110 1 37 VAL HB 1 65 PHE QE 3.000 . 3.500 3.510 3.442 3.535 0.035 17 0 "[ . 1 . 2]" 1
111 1 37 VAL QG 1 38 LYS H 4.000 . 4.500 2.719 2.489 3.606 . 0 0 "[ . 1 . 2]" 1
112 1 37 VAL QG 1 39 THR H 5.000 . 5.500 4.223 4.106 4.481 . 0 0 "[ . 1 . 2]" 1
113 1 37 VAL QG 1 39 THR HG1 4.000 . 4.500 2.358 2.126 2.924 . 0 0 "[ . 1 . 2]" 1
114 1 37 VAL QG 1 46 PHE H 5.000 . 5.500 3.718 3.241 4.299 . 0 0 "[ . 1 . 2]" 1
115 1 37 VAL QG 1 46 PHE QD 4.500 . 5.000 2.798 1.994 3.363 . 0 0 "[ . 1 . 2]" 1
116 1 37 VAL QG 1 46 PHE QE 5.500 . 6.000 3.835 2.653 4.325 . 0 0 "[ . 1 . 2]" 1
117 1 37 VAL QG 1 57 PHE QE 4.500 . 5.000 2.786 2.337 3.390 . 0 0 "[ . 1 . 2]" 1
118 1 37 VAL QG 1 57 PHE HZ 4.500 . 5.000 2.152 1.804 3.217 . 0 0 "[ . 1 . 2]" 1
119 1 37 VAL QG 1 61 ILE MD 3.000 . 3.500 2.117 1.763 3.064 0.037 12 0 "[ . 1 . 2]" 1
120 1 37 VAL QG 1 65 PHE QE 5.500 . 6.000 3.079 2.695 3.468 . 0 0 "[ . 1 . 2]" 1
121 1 37 VAL QG 1 65 PHE HZ 5.500 . 6.000 4.069 1.990 4.655 . 0 0 "[ . 1 . 2]" 1
122 1 37 VAL QG 1 100 LEU QD 4.000 . 4.500 2.038 1.780 3.596 0.020 13 0 "[ . 1 . 2]" 1
123 1 38 LYS H 1 38 LYS QG 4.000 . 4.500 3.381 1.908 4.014 . 0 0 "[ . 1 . 2]" 1
124 1 38 LYS H 1 39 THR H 5.000 . 5.500 4.426 4.373 4.477 . 0 0 "[ . 1 . 2]" 1
125 1 38 LYS H 1 98 VAL H 5.000 . 5.500 3.767 3.285 4.346 . 0 0 "[ . 1 . 2]" 1
126 1 38 LYS H 1 100 LEU H 5.000 . 5.500 3.535 2.894 4.130 . 0 0 "[ . 1 . 2]" 1
127 1 38 LYS HA 1 44 GLU H 5.000 . 5.500 3.862 3.604 4.175 . 0 0 "[ . 1 . 2]" 1
128 1 38 LYS QB 1 39 THR H 5.000 . 5.500 3.616 3.370 3.855 . 0 0 "[ . 1 . 2]" 1
129 1 38 LYS QG 1 39 THR H 5.000 . 5.500 3.652 2.827 4.356 . 0 0 "[ . 1 . 2]" 1
130 1 38 LYS QG 1 98 VAL H 5.000 . 5.500 4.631 2.757 5.502 0.002 5 0 "[ . 1 . 2]" 1
131 1 39 THR H 1 39 THR HA 3.000 . 3.500 3.003 3.000 3.004 . 0 0 "[ . 1 . 2]" 1
132 1 39 THR H 1 42 GLU H 5.000 . 5.500 3.499 3.328 3.589 . 0 0 "[ . 1 . 2]" 1
133 1 39 THR H 1 43 LYS HA 5.000 . 5.500 3.130 2.693 3.401 . 0 0 "[ . 1 . 2]" 1
134 1 39 THR H 1 44 GLU H 5.000 . 5.500 4.473 4.104 4.845 . 0 0 "[ . 1 . 2]" 1
135 1 39 THR HA 1 39 THR HB 3.000 . 3.500 2.601 2.426 2.794 . 0 0 "[ . 1 . 2]" 1
136 1 39 THR HA 1 39 THR HG1 3.000 . 3.500 2.158 2.013 2.366 . 0 0 "[ . 1 . 2]" 1
137 1 39 THR HA 1 39 THR MG 3.000 . 3.500 2.175 2.019 2.402 . 0 0 "[ . 1 . 2]" 1
138 1 39 THR HA 1 40 PRO QD 3.000 . 3.500 2.233 2.154 2.312 . 0 0 "[ . 1 . 2]" 1
139 1 39 THR HA 1 42 GLU H 5.000 . 5.500 4.978 4.680 5.212 . 0 0 "[ . 1 . 2]" 1
140 1 39 THR HB 1 40 PRO QD 4.000 . 4.500 1.890 1.804 1.960 . 0 0 "[ . 1 . 2]" 1
141 1 39 THR HG1 1 42 GLU H 5.000 . 5.500 2.574 1.995 4.193 . 0 0 "[ . 1 . 2]" 1
142 1 39 THR HG1 1 100 LEU H 5.000 . 5.500 4.254 3.852 4.629 . 0 0 "[ . 1 . 2]" 1
143 1 39 THR MG 1 61 ILE MD 3.000 . 3.500 3.530 3.400 3.560 0.060 17 0 "[ . 1 . 2]" 1
144 1 39 THR MG 1 65 PHE QD 5.000 . 5.500 3.421 2.640 3.770 . 0 0 "[ . 1 . 2]" 1
145 1 39 THR MG 1 65 PHE QE 4.500 . 5.000 2.600 1.858 3.073 . 0 0 "[ . 1 . 2]" 1
146 1 39 THR MG 1 65 PHE HZ 5.500 . 6.000 2.647 2.181 3.423 . 0 0 "[ . 1 . 2]" 1
147 1 40 PRO HA 1 41 LYS H 5.000 . 5.500 3.001 2.625 3.460 . 0 0 "[ . 1 . 2]" 1
148 1 40 PRO QB 1 41 LYS H 5.000 . 5.500 3.808 3.494 4.012 . 0 0 "[ . 1 . 2]" 1
149 1 40 PRO QD 1 41 LYS H 5.000 . 5.500 3.507 2.697 4.150 . 0 0 "[ . 1 . 2]" 1
150 1 41 LYS H 1 41 LYS QD 4.000 . 4.500 4.219 2.680 4.507 0.007 3 0 "[ . 1 . 2]" 1
151 1 41 LYS H 1 42 GLU H 4.000 . 4.500 2.211 1.975 2.443 . 0 0 "[ . 1 . 2]" 1
152 1 41 LYS H 1 42 GLU QB 5.000 . 5.500 4.712 4.443 5.153 . 0 0 "[ . 1 . 2]" 1
153 1 41 LYS H 1 42 GLU QG 5.000 . 5.500 4.852 3.866 5.549 0.049 17 0 "[ . 1 . 2]" 1
154 1 41 LYS HA 1 41 LYS QD 3.000 . 3.500 2.767 1.995 3.505 0.005 5 0 "[ . 1 . 2]" 1
155 1 41 LYS HA 1 41 LYS QG 3.000 . 3.500 2.187 1.937 2.857 . 0 0 "[ . 1 . 2]" 1
156 1 41 LYS HA 1 42 GLU H 5.000 . 5.500 3.575 3.552 3.589 . 0 0 "[ . 1 . 2]" 1
157 1 41 LYS QB 1 42 GLU H 5.000 . 5.500 2.451 2.253 2.605 . 0 0 "[ . 1 . 2]" 1
158 1 41 LYS QD 1 42 GLU H 5.000 . 5.500 4.500 3.509 5.007 . 0 0 "[ . 1 . 2]" 1
159 1 41 LYS QG 1 42 GLU H 5.000 . 5.500 4.179 3.636 4.439 . 0 0 "[ . 1 . 2]" 1
160 1 42 GLU H 1 43 LYS H 5.000 . 5.500 4.382 4.329 4.403 . 0 0 "[ . 1 . 2]" 1
161 1 42 GLU HA 1 43 LYS H 4.000 . 4.500 2.628 2.369 2.817 . 0 0 "[ . 1 . 2]" 1
162 1 42 GLU QB 1 43 LYS H 5.000 . 5.500 2.332 1.975 2.930 . 0 0 "[ . 1 . 2]" 1
163 1 42 GLU QB 1 65 PHE QE 4.500 . 5.000 4.577 3.226 5.011 0.011 11 0 "[ . 1 . 2]" 1
164 1 42 GLU QG 1 43 LYS H 5.000 . 5.500 3.078 2.062 3.637 . 0 0 "[ . 1 . 2]" 1
165 1 43 LYS H 1 44 GLU H 5.000 . 5.500 4.374 4.089 4.618 . 0 0 "[ . 1 . 2]" 1
166 1 43 LYS HA 1 44 GLU H 3.000 . 3.500 2.224 2.207 2.256 . 0 0 "[ . 1 . 2]" 1
167 1 43 LYS QB 1 44 GLU H 4.000 . 4.500 3.563 3.171 3.940 . 0 0 "[ . 1 . 2]" 1
168 1 43 LYS QE 1 43 LYS QG 3.000 . 3.500 2.111 1.950 2.335 . 0 0 "[ . 1 . 2]" 1
169 1 43 LYS QG 1 44 GLU H 5.000 . 5.500 3.619 2.535 4.355 . 0 0 "[ . 1 . 2]" 1
170 1 44 GLU H 1 65 PHE QE 5.000 . 5.500 4.277 3.477 5.045 . 0 0 "[ . 1 . 2]" 1
171 1 44 GLU H 1 65 PHE HZ 5.000 . 5.500 4.093 3.714 4.582 . 0 0 "[ . 1 . 2]" 1
172 1 44 GLU HA 1 45 GLU H 3.000 . 3.500 2.220 2.205 2.232 . 0 0 "[ . 1 . 2]" 1
173 1 44 GLU QB 1 45 GLU H 5.000 . 5.500 3.375 3.193 3.663 . 0 0 "[ . 1 . 2]" 1
174 1 44 GLU QB 1 46 PHE H 5.000 . 5.500 5.511 5.464 5.537 0.037 8 0 "[ . 1 . 2]" 1
175 1 45 GLU H 1 45 GLU QB 3.000 . 3.500 2.155 1.997 2.552 . 0 0 "[ . 1 . 2]" 1
176 1 45 GLU H 1 46 PHE H 5.000 . 5.500 4.641 4.620 4.667 . 0 0 "[ . 1 . 2]" 1
177 1 45 GLU HA 1 45 GLU QG 3.000 . 3.500 2.257 1.973 3.320 . 0 0 "[ . 1 . 2]" 1
178 1 45 GLU HA 1 46 PHE H 3.000 . 3.500 2.325 2.292 2.358 . 0 0 "[ . 1 . 2]" 1
179 1 45 GLU HA 1 46 PHE QD 5.500 . 6.000 3.734 3.202 4.239 . 0 0 "[ . 1 . 2]" 1
180 1 45 GLU QB 1 46 PHE H 4.000 . 4.500 3.123 2.824 3.594 . 0 0 "[ . 1 . 2]" 1
181 1 45 GLU QG 1 46 PHE H 5.000 . 5.500 3.291 2.234 4.085 . 0 0 "[ . 1 . 2]" 1
182 1 46 PHE H 1 46 PHE QD 4.000 . 4.500 3.400 2.978 3.748 . 0 0 "[ . 1 . 2]" 1
183 1 46 PHE H 1 47 ALA H 5.000 . 5.500 4.378 4.177 4.507 . 0 0 "[ . 1 . 2]" 1
184 1 46 PHE H 1 47 ALA MB 5.000 . 5.500 5.214 5.101 5.345 . 0 0 "[ . 1 . 2]" 1
185 1 46 PHE H 1 48 VAL QG 4.000 . 4.500 4.564 4.512 4.605 0.105 11 0 "[ . 1 . 2]" 1
186 1 46 PHE HA 1 46 PHE QD 4.000 . 4.500 2.898 2.580 2.983 . 0 0 "[ . 1 . 2]" 1
187 1 46 PHE QB 1 47 ALA H 4.000 . 4.500 3.311 2.971 3.727 . 0 0 "[ . 1 . 2]" 1
188 1 46 PHE QD 1 47 ALA H 5.000 . 5.500 3.634 2.890 4.214 . 0 0 "[ . 1 . 2]" 1
189 1 46 PHE QD 1 48 VAL HA 5.500 . 6.000 5.978 5.595 6.040 0.040 14 0 "[ . 1 . 2]" 1
190 1 46 PHE QD 1 48 VAL QG 5.500 . 6.000 3.420 2.645 3.767 . 0 0 "[ . 1 . 2]" 1
191 1 46 PHE QD 1 57 PHE QE 5.500 . 6.000 2.784 1.956 3.682 . 0 0 "[ . 1 . 2]" 1
192 1 46 PHE QD 1 57 PHE HZ 5.500 . 6.000 3.640 3.017 4.948 . 0 0 "[ . 1 . 2]" 1
193 1 46 PHE QD 1 61 ILE MG 5.500 . 6.000 5.677 4.858 6.015 0.015 11 0 "[ . 1 . 2]" 1
194 1 46 PHE QE 1 61 ILE HA 4.500 . 5.000 3.800 3.135 4.286 . 0 0 "[ . 1 . 2]" 1
195 1 46 PHE QE 1 64 ARG H 5.000 . 5.500 5.342 4.798 5.524 0.024 14 0 "[ . 1 . 2]" 1
196 1 46 PHE QE 1 64 ARG QB 5.500 . 6.000 3.541 2.960 4.050 . 0 0 "[ . 1 . 2]" 1
197 1 46 PHE HZ 1 61 ILE HA 4.500 . 5.000 3.414 2.552 4.039 . 0 0 "[ . 1 . 2]" 1
198 1 46 PHE HZ 1 64 ARG H 5.000 . 5.500 5.102 4.057 5.509 0.009 1 0 "[ . 1 . 2]" 1
199 1 46 PHE HZ 1 64 ARG QB 5.500 . 6.000 2.838 2.561 3.166 . 0 0 "[ . 1 . 2]" 1
200 1 46 PHE HZ 1 65 PHE QD 5.500 . 6.000 4.008 2.740 5.682 . 0 0 "[ . 1 . 2]" 1
201 1 47 ALA H 1 47 ALA MB 3.000 . 3.500 2.102 1.991 2.245 . 0 0 "[ . 1 . 2]" 1
202 1 47 ALA HA 1 48 VAL H 3.000 . 3.500 2.239 2.221 2.264 . 0 0 "[ . 1 . 2]" 1
203 1 47 ALA MB 1 48 VAL H 4.000 . 4.500 3.282 3.165 3.533 . 0 0 "[ . 1 . 2]" 1
204 1 48 VAL H 1 48 VAL QG 4.000 . 4.500 2.020 1.890 2.154 . 0 0 "[ . 1 . 2]" 1
205 1 48 VAL H 1 49 PRO QD 5.000 . 5.500 4.348 4.297 4.396 . 0 0 "[ . 1 . 2]" 1
206 1 48 VAL H 1 50 GLU H 5.000 . 5.500 5.535 4.306 5.708 0.208 11 0 "[ . 1 . 2]" 1
207 1 48 VAL HA 1 49 PRO QD 3.000 . 3.500 2.077 2.004 2.117 . 0 0 "[ . 1 . 2]" 1
208 1 48 VAL HB 1 49 PRO QD 4.000 . 4.500 2.330 2.089 2.561 . 0 0 "[ . 1 . 2]" 1
209 1 48 VAL QG 1 52 SER H 5.000 . 5.500 4.572 3.963 5.089 . 0 0 "[ . 1 . 2]" 1
210 1 48 VAL QG 1 57 PHE QD 4.500 . 5.000 2.547 1.934 3.169 . 0 0 "[ . 1 . 2]" 1
211 1 48 VAL QG 1 57 PHE QE 4.500 . 5.000 3.023 1.943 3.896 . 0 0 "[ . 1 . 2]" 1
212 1 48 VAL QG 1 57 PHE HZ 5.500 . 6.000 4.225 3.158 5.061 . 0 0 "[ . 1 . 2]" 1
213 1 49 PRO HA 1 49 PRO QG 3.000 . 3.500 3.503 3.496 3.515 0.015 12 0 "[ . 1 . 2]" 1
214 1 49 PRO QB 1 50 GLU H 5.000 . 5.500 3.472 3.321 4.019 . 0 0 "[ . 1 . 2]" 1
215 1 49 PRO QB 1 51 ASN H 5.000 . 5.500 2.876 2.512 3.776 . 0 0 "[ . 1 . 2]" 1
216 1 49 PRO QD 1 50 GLU H 4.000 . 4.500 4.864 3.915 4.942 0.442 1 0 "[ . 1 . 2]" 1
217 1 49 PRO QD 1 51 ASN H 5.000 . 5.500 5.386 5.025 5.535 0.035 17 0 "[ . 1 . 2]" 1
218 1 49 PRO QD 1 52 SER H 5.000 . 5.500 4.966 3.354 5.324 . 0 0 "[ . 1 . 2]" 1
219 1 49 PRO QG 1 51 ASN QD 5.000 . 5.500 4.684 3.739 5.490 . 0 0 "[ . 1 . 2]" 1
220 1 50 GLU H 1 51 ASN H 5.000 . 5.500 3.160 2.825 4.021 . 0 0 "[ . 1 . 2]" 1
221 1 50 GLU H 1 52 SER H 5.000 . 5.500 4.987 3.862 5.502 0.002 16 0 "[ . 1 . 2]" 1
222 1 50 GLU QB 1 51 ASN H 4.000 . 4.500 2.920 1.881 3.556 . 0 0 "[ . 1 . 2]" 1
223 1 50 GLU QG 1 51 ASN H 5.000 . 5.500 3.421 1.818 4.745 . 0 0 "[ . 1 . 2]" 1
224 1 51 ASN H 1 52 SER H 4.000 . 4.500 3.314 2.791 3.473 . 0 0 "[ . 1 . 2]" 1
225 1 51 ASN H 1 52 SER QB 5.000 . 5.500 4.195 3.773 4.580 . 0 0 "[ . 1 . 2]" 1
226 1 51 ASN HA 1 52 SER H 5.000 . 5.500 2.818 2.553 3.502 . 0 0 "[ . 1 . 2]" 1
227 1 51 ASN HA 1 88 ILE H 5.000 . 5.500 5.536 5.345 5.628 0.128 1 0 "[ . 1 . 2]" 1
228 1 51 ASN HA 1 88 ILE MD 5.000 . 5.500 3.293 2.104 4.719 . 0 0 "[ . 1 . 2]" 1
229 1 51 ASN HA 1 88 ILE MG 4.000 . 4.500 3.691 2.823 4.260 . 0 0 "[ . 1 . 2]" 1
230 1 51 ASN QB 1 52 SER H 5.000 . 5.500 3.900 2.843 4.086 . 0 0 "[ . 1 . 2]" 1
231 1 52 SER H 1 52 SER QB 3.000 . 3.500 2.439 1.942 2.904 . 0 0 "[ . 1 . 2]" 1
232 1 52 SER H 1 53 SER H 5.000 . 5.500 4.313 4.107 4.617 . 0 0 "[ . 1 . 2]" 1
233 1 52 SER H 1 87 LEU QB 5.000 . 5.500 4.655 3.819 5.516 0.016 16 0 "[ . 1 . 2]" 1
234 1 52 SER H 1 88 ILE MG 5.000 . 5.500 3.391 1.928 5.518 0.018 19 0 "[ . 1 . 2]" 1
235 1 52 SER HA 1 53 SER H 3.000 . 3.500 2.374 2.214 2.969 . 0 0 "[ . 1 . 2]" 1
236 1 52 SER HA 1 54 VAL H 5.000 . 5.500 6.431 6.233 6.829 1.329 20 20 [****************-**+] 1
237 1 52 SER QB 1 53 SER H 5.000 . 5.500 3.392 1.983 4.019 . 0 0 "[ . 1 . 2]" 1
238 1 52 SER QB 1 87 LEU QD 4.000 . 4.500 4.236 2.964 4.987 0.487 8 0 "[ . 1 . 2]" 1
239 1 53 SER H 1 54 VAL H 5.000 . 5.500 4.613 4.379 4.703 . 0 0 "[ . 1 . 2]" 1
240 1 53 SER H 1 56 GLN H 5.000 . 5.500 4.402 3.876 4.810 . 0 0 "[ . 1 . 2]" 1
241 1 53 SER H 1 56 GLN QB 4.000 . 4.500 3.618 2.970 4.086 . 0 0 "[ . 1 . 2]" 1
242 1 53 SER H 1 56 GLN QG 5.000 . 5.500 5.157 4.380 5.515 0.015 17 0 "[ . 1 . 2]" 1
243 1 53 SER H 1 86 THR HG1 5.000 . 5.500 4.320 3.689 5.079 . 0 0 "[ . 1 . 2]" 1
244 1 53 SER HA 1 54 VAL H 4.000 . 4.500 2.355 2.265 2.552 . 0 0 "[ . 1 . 2]" 1
245 1 53 SER HA 1 55 GLN H 5.000 . 5.500 4.250 4.111 4.490 . 0 0 "[ . 1 . 2]" 1
246 1 53 SER HA 1 86 THR HA 3.000 . 3.500 3.219 2.766 3.531 0.031 17 0 "[ . 1 . 2]" 1
247 1 53 SER HA 1 86 THR HB 4.000 . 4.500 4.330 3.400 4.521 0.021 3 0 "[ . 1 . 2]" 1
248 1 53 SER HA 1 86 THR HG1 4.000 . 4.500 2.354 1.815 3.283 . 0 0 "[ . 1 . 2]" 1
249 1 53 SER HA 1 86 THR MG 3.000 . 3.500 2.357 1.816 3.302 . 0 0 "[ . 1 . 2]" 1
250 1 53 SER HA 1 87 LEU H 5.000 . 5.500 3.647 2.168 4.577 . 0 0 "[ . 1 . 2]" 1
251 1 53 SER QB 1 54 VAL H 4.000 . 4.500 3.099 2.335 3.619 . 0 0 "[ . 1 . 2]" 1
252 1 53 SER QB 1 55 GLN H 5.000 . 5.500 2.968 2.588 3.535 . 0 0 "[ . 1 . 2]" 1
253 1 53 SER QB 1 56 GLN QB 3.000 . 3.500 3.442 3.164 3.546 0.046 2 0 "[ . 1 . 2]" 1
254 1 54 VAL H 1 54 VAL HB 4.000 . 4.500 2.461 2.373 2.544 . 0 0 "[ . 1 . 2]" 1
255 1 54 VAL H 1 54 VAL QG 4.000 . 4.500 2.101 1.895 2.236 . 0 0 "[ . 1 . 2]" 1
256 1 54 VAL H 1 55 GLN H 5.000 . 5.500 2.751 2.651 2.844 . 0 0 "[ . 1 . 2]" 1
257 1 54 VAL H 1 83 ASP HA 5.000 . 5.500 3.554 3.343 4.035 . 0 0 "[ . 1 . 2]" 1
258 1 54 VAL H 1 85 ASP H 5.000 . 5.500 5.517 5.347 5.635 0.135 16 0 "[ . 1 . 2]" 1
259 1 54 VAL H 1 86 THR HA 5.000 . 5.500 3.057 2.779 3.360 . 0 0 "[ . 1 . 2]" 1
260 1 54 VAL H 1 86 THR HG1 5.000 . 5.500 3.502 2.997 4.087 . 0 0 "[ . 1 . 2]" 1
261 1 54 VAL H 1 87 LEU H 5.000 . 5.500 3.730 2.690 4.511 . 0 0 "[ . 1 . 2]" 1
262 1 54 VAL HA 1 54 VAL QG 3.000 . 3.500 2.032 2.009 2.123 . 0 0 "[ . 1 . 2]" 1
263 1 54 VAL HA 1 55 GLN H 5.000 . 5.500 3.559 3.553 3.565 . 0 0 "[ . 1 . 2]" 1
264 1 54 VAL HA 1 57 PHE H 5.000 . 5.500 3.293 3.008 3.559 . 0 0 "[ . 1 . 2]" 1
265 1 54 VAL HA 1 58 LYS H 5.000 . 5.500 3.347 2.784 3.647 . 0 0 "[ . 1 . 2]" 1
266 1 54 VAL HA 1 87 LEU QD 5.000 . 5.500 3.503 2.856 4.586 . 0 0 "[ . 1 . 2]" 1
267 1 54 VAL HB 1 55 GLN H 4.000 . 4.500 2.725 2.674 2.775 . 0 0 "[ . 1 . 2]" 1
268 1 54 VAL HB 1 58 LYS H 5.000 . 5.500 5.045 4.752 5.225 . 0 0 "[ . 1 . 2]" 1
269 1 54 VAL HB 1 85 ASP H 5.000 . 5.500 4.504 4.362 4.909 . 0 0 "[ . 1 . 2]" 1
270 1 54 VAL QG 1 55 GLN H 4.000 . 4.500 3.326 3.304 3.346 . 0 0 "[ . 1 . 2]" 1
271 1 54 VAL QG 1 57 PHE H 5.000 . 5.500 4.138 3.937 4.322 . 0 0 "[ . 1 . 2]" 1
272 1 54 VAL QG 1 58 LYS H 4.000 . 4.500 2.918 2.536 3.159 . 0 0 "[ . 1 . 2]" 1
273 1 54 VAL QG 1 58 LYS HA 3.000 . 3.500 3.647 3.611 3.682 0.182 3 0 "[ . 1 . 2]" 1
274 1 54 VAL QG 1 83 ASP HA 3.000 . 3.500 2.761 1.903 2.933 . 0 0 "[ . 1 . 2]" 1
275 1 54 VAL QG 1 83 ASP QB 3.000 . 3.500 3.202 2.242 3.503 0.003 3 0 "[ . 1 . 2]" 1
276 1 54 VAL QG 1 85 ASP H 5.000 . 5.500 3.474 2.815 3.561 . 0 0 "[ . 1 . 2]" 1
277 1 55 GLN H 1 56 GLN H 5.000 . 5.500 2.964 2.919 3.027 . 0 0 "[ . 1 . 2]" 1
278 1 55 GLN H 1 57 PHE H 5.000 . 5.500 4.452 4.171 4.634 . 0 0 "[ . 1 . 2]" 1
279 1 55 GLN H 1 83 ASP HA 5.000 . 5.500 3.231 2.890 4.416 . 0 0 "[ . 1 . 2]" 1
280 1 55 GLN HA 1 56 GLN H 5.000 . 5.500 3.585 3.569 3.600 . 0 0 "[ . 1 . 2]" 1
281 1 55 GLN HA 1 57 PHE H 5.000 . 5.500 4.928 4.723 5.041 . 0 0 "[ . 1 . 2]" 1
282 1 55 GLN HA 1 58 LYS H 5.000 . 5.500 3.938 3.677 4.339 . 0 0 "[ . 1 . 2]" 1
283 1 55 GLN HA 1 58 LYS QG 4.000 . 4.500 3.542 2.126 4.519 0.019 19 0 "[ . 1 . 2]" 1
284 1 55 GLN QB 1 56 GLN H 5.000 . 5.500 2.422 2.262 2.603 . 0 0 "[ . 1 . 2]" 1
285 1 56 GLN H 1 56 GLN QB 3.000 . 3.500 2.168 2.071 2.243 . 0 0 "[ . 1 . 2]" 1
286 1 56 GLN H 1 56 GLN QG 4.000 . 4.500 3.776 2.253 4.004 . 0 0 "[ . 1 . 2]" 1
287 1 56 GLN H 1 57 PHE H 5.000 . 5.500 2.675 2.463 2.852 . 0 0 "[ . 1 . 2]" 1
288 1 56 GLN H 1 58 LYS H 5.000 . 5.500 4.059 3.933 4.273 . 0 0 "[ . 1 . 2]" 1
289 1 56 GLN HA 1 56 GLN QG 3.000 . 3.500 2.349 2.155 2.719 . 0 0 "[ . 1 . 2]" 1
290 1 56 GLN HA 1 57 PHE H 5.000 . 5.500 3.582 3.565 3.587 . 0 0 "[ . 1 . 2]" 1
291 1 56 GLN HA 1 58 LYS H 5.000 . 5.500 4.562 4.348 4.923 . 0 0 "[ . 1 . 2]" 1
292 1 56 GLN HA 1 59 GLU H 5.000 . 5.500 3.710 3.628 3.918 . 0 0 "[ . 1 . 2]" 1
293 1 56 GLN HA 1 59 GLU QB 3.000 . 3.500 3.078 2.711 3.419 . 0 0 "[ . 1 . 2]" 1
294 1 56 GLN QB 1 57 PHE H 4.000 . 4.500 2.293 2.165 2.556 . 0 0 "[ . 1 . 2]" 1
295 1 56 GLN QB 1 58 LYS H 5.000 . 5.500 4.594 4.424 4.948 . 0 0 "[ . 1 . 2]" 1
296 1 56 GLN QG 1 57 PHE H 5.000 . 5.500 3.663 3.266 4.035 . 0 0 "[ . 1 . 2]" 1
297 1 56 GLN QG 1 58 LYS H 5.000 . 5.500 5.395 5.088 5.513 0.013 11 0 "[ . 1 . 2]" 1
298 1 57 PHE H 1 57 PHE QB 3.000 . 3.500 2.159 2.114 2.178 . 0 0 "[ . 1 . 2]" 1
299 1 57 PHE H 1 57 PHE QD 5.000 . 5.500 4.128 4.093 4.141 . 0 0 "[ . 1 . 2]" 1
300 1 57 PHE H 1 58 LYS H 4.000 . 4.500 2.731 2.627 2.851 . 0 0 "[ . 1 . 2]" 1
301 1 57 PHE HA 1 57 PHE QD 3.000 . 3.500 2.331 2.109 3.042 . 0 0 "[ . 1 . 2]" 1
302 1 57 PHE HA 1 58 LYS H 5.000 . 5.500 3.553 3.533 3.582 . 0 0 "[ . 1 . 2]" 1
303 1 57 PHE HA 1 60 ALA H 5.000 . 5.500 3.216 3.067 3.422 . 0 0 "[ . 1 . 2]" 1
304 1 57 PHE HA 1 60 ALA MB 4.000 . 4.500 2.221 2.046 2.513 . 0 0 "[ . 1 . 2]" 1
305 1 57 PHE QB 1 58 LYS H 4.000 . 4.500 2.486 2.238 2.633 . 0 0 "[ . 1 . 2]" 1
306 1 57 PHE QD 1 61 ILE MD 5.500 . 6.000 4.375 3.424 6.051 0.051 10 0 "[ . 1 . 2]" 1
307 1 57 PHE QD 1 87 LEU MD1 4.500 . 5.000 3.396 2.394 4.597 . 0 0 "[ . 1 . 2]" 1
308 1 57 PHE QD 1 87 LEU QD 4.000 . 4.500 2.900 2.218 4.044 . 0 0 "[ . 1 . 2]" 1
309 1 57 PHE QE 1 61 ILE MD 5.500 . 6.000 3.329 2.122 5.527 . 0 0 "[ . 1 . 2]" 1
310 1 58 LYS H 1 58 LYS QG 3.000 . 3.500 2.937 2.274 3.533 0.033 2 0 "[ . 1 . 2]" 1
311 1 58 LYS H 1 59 GLU H 5.000 . 5.500 2.757 2.719 2.806 . 0 0 "[ . 1 . 2]" 1
312 1 58 LYS H 1 60 ALA H 5.000 . 5.500 3.932 3.783 4.053 . 0 0 "[ . 1 . 2]" 1
313 1 58 LYS HA 1 59 GLU H 5.000 . 5.500 3.558 3.530 3.582 . 0 0 "[ . 1 . 2]" 1
314 1 58 LYS HA 1 60 ALA H 5.000 . 5.500 4.168 4.026 4.342 . 0 0 "[ . 1 . 2]" 1
315 1 58 LYS HA 1 61 ILE H 5.000 . 5.500 3.936 3.632 4.290 . 0 0 "[ . 1 . 2]" 1
316 1 58 LYS HA 1 61 ILE HB 4.000 . 4.500 3.804 3.275 4.523 0.023 3 0 "[ . 1 . 2]" 1
317 1 58 LYS HA 1 61 ILE MD 4.000 . 4.500 3.865 3.181 4.390 . 0 0 "[ . 1 . 2]" 1
318 1 58 LYS HA 1 62 SER H 5.000 . 5.500 4.950 4.511 5.393 . 0 0 "[ . 1 . 2]" 1
319 1 58 LYS QB 1 59 GLU H 4.000 . 4.500 2.825 2.465 3.499 . 0 0 "[ . 1 . 2]" 1
320 1 58 LYS QB 1 60 ALA H 5.000 . 5.500 4.550 4.289 5.057 . 0 0 "[ . 1 . 2]" 1
321 1 58 LYS QG 1 59 GLU H 4.000 . 4.500 3.748 1.860 4.457 . 0 0 "[ . 1 . 2]" 1
322 1 59 GLU H 1 59 GLU QB 3.000 . 3.500 2.130 1.982 2.263 . 0 0 "[ . 1 . 2]" 1
323 1 59 GLU H 1 59 GLU QG 4.000 . 4.500 3.554 2.486 3.992 . 0 0 "[ . 1 . 2]" 1
324 1 59 GLU H 1 60 ALA H 4.000 . 4.500 2.455 2.312 2.644 . 0 0 "[ . 1 . 2]" 1
325 1 59 GLU H 1 69 THR HG1 5.000 . 5.500 3.778 3.254 4.082 . 0 0 "[ . 1 . 2]" 1
326 1 59 GLU HA 1 60 ALA H 5.000 . 5.500 3.490 3.457 3.514 . 0 0 "[ . 1 . 2]" 1
327 1 59 GLU HA 1 69 THR HA 5.000 . 5.500 4.494 3.414 5.505 0.005 8 0 "[ . 1 . 2]" 1
328 1 59 GLU HA 1 69 THR HG1 3.000 . 3.500 2.087 1.868 2.485 . 0 0 "[ . 1 . 2]" 1
329 1 59 GLU QB 1 60 ALA H 4.000 . 4.500 2.900 2.776 3.018 . 0 0 "[ . 1 . 2]" 1
330 1 59 GLU QG 1 60 ALA H 5.000 . 5.500 4.254 3.779 4.518 . 0 0 "[ . 1 . 2]" 1
331 1 60 ALA H 1 60 ALA MB 3.000 . 3.500 2.065 1.979 2.156 . 0 0 "[ . 1 . 2]" 1
332 1 60 ALA H 1 61 ILE H 5.000 . 5.500 2.710 2.618 2.823 . 0 0 "[ . 1 . 2]" 1
333 1 60 ALA H 1 61 ILE HB 5.000 . 5.500 4.617 4.392 5.232 . 0 0 "[ . 1 . 2]" 1
334 1 60 ALA H 1 62 SER H 5.000 . 5.500 4.029 3.795 4.153 . 0 0 "[ . 1 . 2]" 1
335 1 60 ALA H 1 69 THR HG1 5.000 . 5.500 4.778 4.480 5.061 . 0 0 "[ . 1 . 2]" 1
336 1 60 ALA HA 1 61 ILE H 5.000 . 5.500 3.576 3.555 3.593 . 0 0 "[ . 1 . 2]" 1
337 1 60 ALA HA 1 63 LYS QB 4.000 . 4.500 3.349 3.079 3.654 . 0 0 "[ . 1 . 2]" 1
338 1 60 ALA MB 1 61 ILE H 4.000 . 4.500 2.344 2.182 2.549 . 0 0 "[ . 1 . 2]" 1
339 1 60 ALA MB 1 62 SER H 5.000 . 5.500 4.345 4.161 4.457 . 0 0 "[ . 1 . 2]" 1
340 1 61 ILE H 1 61 ILE HB 4.000 . 4.500 2.207 2.027 2.617 . 0 0 "[ . 1 . 2]" 1
341 1 61 ILE H 1 61 ILE MD 5.000 . 5.500 3.639 3.478 3.855 . 0 0 "[ . 1 . 2]" 1
342 1 61 ILE H 1 61 ILE QG 4.000 . 4.500 2.956 2.208 4.012 . 0 0 "[ . 1 . 2]" 1
343 1 61 ILE H 1 62 SER H 5.000 . 5.500 2.697 2.617 2.742 . 0 0 "[ . 1 . 2]" 1
344 1 61 ILE HA 1 62 SER H 5.000 . 5.500 3.547 3.514 3.574 . 0 0 "[ . 1 . 2]" 1
345 1 61 ILE HA 1 64 ARG H 5.000 . 5.500 3.697 3.497 3.815 . 0 0 "[ . 1 . 2]" 1
346 1 61 ILE HA 1 65 PHE QD 5.500 . 6.000 3.344 3.036 4.310 . 0 0 "[ . 1 . 2]" 1
347 1 61 ILE HB 1 61 ILE MD 3.000 . 3.500 2.358 1.934 3.182 . 0 0 "[ . 1 . 2]" 1
348 1 61 ILE HB 1 62 SER H 5.000 . 5.500 3.117 2.646 4.117 . 0 0 "[ . 1 . 2]" 1
349 1 61 ILE MD 1 61 ILE MG 3.000 . 3.500 2.106 1.781 2.830 0.019 10 0 "[ . 1 . 2]" 1
350 1 61 ILE MD 1 62 SER H 5.000 . 5.500 4.435 2.776 4.973 . 0 0 "[ . 1 . 2]" 1
351 1 61 ILE MD 1 65 PHE QD 4.500 . 5.000 3.092 1.943 3.914 . 0 0 "[ . 1 . 2]" 1
352 1 61 ILE MD 1 65 PHE QE 5.500 . 6.000 3.528 2.416 4.204 . 0 0 "[ . 1 . 2]" 1
353 1 61 ILE MD 1 100 LEU QD 3.000 . 3.500 2.523 1.858 3.108 . 0 0 "[ . 1 . 2]" 1
354 1 61 ILE QG 1 65 PHE H 5.000 . 5.500 4.133 3.424 4.303 . 0 0 "[ . 1 . 2]" 1
355 1 61 ILE MG 1 62 SER H 5.000 . 5.500 2.685 1.900 3.327 . 0 0 "[ . 1 . 2]" 1
356 1 61 ILE MG 1 65 PHE QD 4.000 . 4.500 2.552 1.957 4.407 . 0 0 "[ . 1 . 2]" 1
357 1 61 ILE MG 1 100 LEU QD 3.000 . 3.500 2.940 2.274 3.528 0.028 13 0 "[ . 1 . 2]" 1
358 1 62 SER H 1 63 LYS H 5.000 . 5.500 2.879 2.715 2.966 . 0 0 "[ . 1 . 2]" 1
359 1 62 SER H 1 69 THR HG1 5.000 . 5.500 3.845 3.104 4.538 . 0 0 "[ . 1 . 2]" 1
360 1 62 SER H 1 72 LEU QD 5.000 . 5.500 3.857 3.106 4.883 . 0 0 "[ . 1 . 2]" 1
361 1 62 SER HA 1 63 LYS H 5.000 . 5.500 3.585 3.572 3.594 . 0 0 "[ . 1 . 2]" 1
362 1 62 SER HA 1 69 THR HG1 5.000 . 5.500 4.173 3.171 4.785 . 0 0 "[ . 1 . 2]" 1
363 1 62 SER HA 1 72 LEU QD 4.000 . 4.500 3.598 2.706 4.404 . 0 0 "[ . 1 . 2]" 1
364 1 62 SER QB 1 63 LYS H 5.000 . 5.500 2.608 2.189 3.288 . 0 0 "[ . 1 . 2]" 1
365 1 62 SER QB 1 67 SER H 5.000 . 5.500 4.094 3.620 4.467 . 0 0 "[ . 1 . 2]" 1
366 1 63 LYS H 1 63 LYS QB 3.000 . 3.500 2.109 1.950 2.330 . 0 0 "[ . 1 . 2]" 1
367 1 63 LYS H 1 63 LYS QD 4.000 . 4.500 3.807 2.378 4.459 . 0 0 "[ . 1 . 2]" 1
368 1 63 LYS H 1 64 ARG H 5.000 . 5.500 2.859 2.824 2.942 . 0 0 "[ . 1 . 2]" 1
369 1 63 LYS H 1 65 PHE H 5.000 . 5.500 4.457 4.407 4.523 . 0 0 "[ . 1 . 2]" 1
370 1 63 LYS H 1 66 LYS H 5.000 . 5.500 4.361 4.260 4.558 . 0 0 "[ . 1 . 2]" 1
371 1 63 LYS HA 1 63 LYS QD 3.000 . 3.500 2.645 1.936 3.499 . 0 0 "[ . 1 . 2]" 1
372 1 63 LYS HA 1 66 LYS H 5.000 . 5.500 4.107 3.714 4.245 . 0 0 "[ . 1 . 2]" 1
373 1 63 LYS HA 1 67 SER H 5.000 . 5.500 5.386 4.515 5.523 0.023 17 0 "[ . 1 . 2]" 1
374 1 63 LYS QB 1 64 ARG H 4.000 . 4.500 2.283 2.179 2.503 . 0 0 "[ . 1 . 2]" 1
375 1 64 ARG H 1 65 PHE H 4.000 . 4.500 2.784 2.726 2.877 . 0 0 "[ . 1 . 2]" 1
376 1 64 ARG H 1 66 LYS H 5.000 . 5.500 3.939 3.911 4.057 . 0 0 "[ . 1 . 2]" 1
377 1 64 ARG HA 1 64 ARG QD 3.000 . 3.500 2.925 2.088 3.507 0.007 14 0 "[ . 1 . 2]" 1
378 1 64 ARG HA 1 65 PHE H 5.000 . 5.500 3.592 3.586 3.596 . 0 0 "[ . 1 . 2]" 1
379 1 64 ARG QB 1 65 PHE H 4.000 . 4.500 2.278 2.163 2.425 . 0 0 "[ . 1 . 2]" 1
380 1 65 PHE H 1 66 LYS H 4.000 . 4.500 2.624 2.596 2.649 . 0 0 "[ . 1 . 2]" 1
381 1 65 PHE H 1 66 LYS HA 5.000 . 5.500 4.951 4.913 4.973 . 0 0 "[ . 1 . 2]" 1
382 1 65 PHE H 1 67 SER H 5.000 . 5.500 5.425 4.987 5.511 0.011 12 0 "[ . 1 . 2]" 1
383 1 65 PHE HA 1 65 PHE QD 4.000 . 4.500 2.467 1.891 2.876 . 0 0 "[ . 1 . 2]" 1
384 1 65 PHE HA 1 66 LYS H 5.000 . 5.500 3.546 3.537 3.551 . 0 0 "[ . 1 . 2]" 1
385 1 65 PHE QB 1 66 LYS H 5.000 . 5.500 2.701 2.577 2.745 . 0 0 "[ . 1 . 2]" 1
386 1 65 PHE QB 1 67 SER H 5.000 . 5.500 3.937 3.423 4.247 . 0 0 "[ . 1 . 2]" 1
387 1 66 LYS H 1 66 LYS HA 3.000 . 3.500 2.365 2.357 2.371 . 0 0 "[ . 1 . 2]" 1
388 1 66 LYS H 1 66 LYS QG 4.000 . 4.500 3.661 2.612 4.261 . 0 0 "[ . 1 . 2]" 1
389 1 66 LYS H 1 67 SER H 5.000 . 5.500 3.112 2.804 3.190 . 0 0 "[ . 1 . 2]" 1
390 1 66 LYS HA 1 66 LYS QG 3.000 . 3.500 2.186 1.934 2.479 . 0 0 "[ . 1 . 2]" 1
391 1 66 LYS HA 1 67 SER H 4.000 . 4.500 2.424 2.349 2.657 . 0 0 "[ . 1 . 2]" 1
392 1 66 LYS QB 1 67 SER H 5.000 . 5.500 3.967 3.865 4.022 . 0 0 "[ . 1 . 2]" 1
393 1 66 LYS QG 1 67 SER H 5.000 . 5.500 4.098 3.840 4.492 . 0 0 "[ . 1 . 2]" 1
394 1 67 SER H 1 68 GLN H 5.000 . 5.500 3.414 2.345 4.340 . 0 0 "[ . 1 . 2]" 1
395 1 67 SER H 1 72 LEU QD 5.000 . 5.500 4.501 4.002 5.517 0.017 8 0 "[ . 1 . 2]" 1
396 1 67 SER HA 1 68 GLN H 4.000 . 4.500 3.236 2.777 3.590 . 0 0 "[ . 1 . 2]" 1
397 1 67 SER QB 1 68 GLN H 4.000 . 4.500 2.174 1.919 2.740 . 0 0 "[ . 1 . 2]" 1
398 1 67 SER QB 1 68 GLN QG 5.000 . 5.500 4.499 2.253 5.392 . 0 0 "[ . 1 . 2]" 1
399 1 67 SER QB 1 72 LEU QD 4.000 . 4.500 3.030 2.180 4.193 . 0 0 "[ . 1 . 2]" 1
400 1 68 GLN H 1 68 GLN QG 4.000 . 4.500 3.378 1.975 4.239 . 0 0 "[ . 1 . 2]" 1
401 1 68 GLN H 1 69 THR H 5.000 . 5.500 4.375 2.286 4.674 . 0 0 "[ . 1 . 2]" 1
402 1 68 GLN HA 1 68 GLN QG 3.000 . 3.500 2.337 1.978 3.315 . 0 0 "[ . 1 . 2]" 1
403 1 68 GLN HA 1 69 THR H 5.000 . 5.500 2.663 2.374 3.463 . 0 0 "[ . 1 . 2]" 1
404 1 68 GLN QB 1 69 THR H 5.000 . 5.500 2.467 1.996 3.055 . 0 0 "[ . 1 . 2]" 1
405 1 68 GLN QB 1 70 ASP H 5.000 . 5.500 4.158 3.484 4.750 . 0 0 "[ . 1 . 2]" 1
406 1 68 GLN QB 1 71 GLN H 5.000 . 5.500 3.901 2.479 5.548 0.048 8 0 "[ . 1 . 2]" 1
407 1 68 GLN QE 1 71 GLN HA 5.000 . 5.500 5.017 4.522 5.514 0.014 8 0 "[ . 1 . 2]" 1
408 1 68 GLN QE 1 102 ILE QG 5.000 . 5.500 3.488 2.000 5.160 . 0 0 "[ . 1 . 2]" 1
409 1 68 GLN QG 1 69 THR H 5.000 . 5.500 3.077 2.112 4.536 . 0 0 "[ . 1 . 2]" 1
410 1 68 GLN QG 1 70 ASP H 5.000 . 5.500 4.497 3.258 5.514 0.014 8 0 "[ . 1 . 2]" 1
411 1 69 THR H 1 70 ASP H 5.000 . 5.500 2.302 1.938 3.816 . 0 0 "[ . 1 . 2]" 1
412 1 69 THR H 1 71 GLN H 5.000 . 5.500 3.734 3.201 5.527 0.027 8 0 "[ . 1 . 2]" 1
413 1 69 THR HA 1 69 THR HG1 3.000 . 3.500 2.203 2.044 2.372 . 0 0 "[ . 1 . 2]" 1
414 1 69 THR HA 1 70 ASP H 5.000 . 5.500 3.587 3.568 3.595 . 0 0 "[ . 1 . 2]" 1
415 1 69 THR HA 1 72 LEU QB 5.000 . 5.500 2.335 2.071 2.813 . 0 0 "[ . 1 . 2]" 1
416 1 69 THR HA 1 72 LEU QD 4.000 . 4.500 2.543 1.865 3.044 . 0 0 "[ . 1 . 2]" 1
417 1 69 THR HB 1 70 ASP H 5.000 . 5.500 2.223 1.949 3.034 . 0 0 "[ . 1 . 2]" 1
418 1 69 THR HB 1 71 GLN H 5.000 . 5.500 5.183 4.904 5.514 0.014 16 0 "[ . 1 . 2]" 1
419 1 69 THR HB 1 72 LEU H 5.000 . 5.500 5.202 5.010 5.522 0.022 8 0 "[ . 1 . 2]" 1
420 1 69 THR HG1 1 70 ASP H 5.000 . 5.500 3.193 2.934 3.430 . 0 0 "[ . 1 . 2]" 1
421 1 70 ASP H 1 71 GLN H 5.000 . 5.500 3.093 2.835 4.261 . 0 0 "[ . 1 . 2]" 1
422 1 70 ASP H 1 72 LEU H 5.000 . 5.500 3.838 3.552 5.209 . 0 0 "[ . 1 . 2]" 1
423 1 70 ASP HA 1 71 GLN H 5.000 . 5.500 3.580 3.505 3.591 . 0 0 "[ . 1 . 2]" 1
424 1 70 ASP HA 1 72 LEU H 5.000 . 5.500 4.356 4.171 5.327 . 0 0 "[ . 1 . 2]" 1
425 1 70 ASP QB 1 71 GLN H 5.000 . 5.500 2.070 1.903 2.438 . 0 0 "[ . 1 . 2]" 1
426 1 71 GLN H 1 71 GLN QG 4.000 . 4.500 2.558 1.959 3.780 . 0 0 "[ . 1 . 2]" 1
427 1 71 GLN H 1 72 LEU H 4.000 . 4.500 2.606 2.445 2.711 . 0 0 "[ . 1 . 2]" 1
428 1 71 GLN H 1 72 LEU QD 5.000 . 5.500 5.309 4.484 5.510 0.010 12 0 "[ . 1 . 2]" 1
429 1 71 GLN HA 1 71 GLN QG 3.000 . 3.500 2.282 1.959 2.787 . 0 0 "[ . 1 . 2]" 1
430 1 71 GLN HA 1 72 LEU H 5.000 . 5.500 3.509 3.501 3.581 . 0 0 "[ . 1 . 2]" 1
431 1 71 GLN HA 1 103 LYS H 5.000 . 5.500 3.571 3.084 4.931 . 0 0 "[ . 1 . 2]" 1
432 1 71 GLN QB 1 72 LEU H 5.000 . 5.500 2.809 2.493 2.891 . 0 0 "[ . 1 . 2]" 1
433 1 71 GLN QB 1 103 LYS H 5.000 . 5.500 2.789 1.968 3.982 . 0 0 "[ . 1 . 2]" 1
434 1 72 LEU H 1 72 LEU QB 3.000 . 3.500 2.113 1.956 2.638 . 0 0 "[ . 1 . 2]" 1
435 1 72 LEU H 1 72 LEU QD 4.000 . 4.500 3.540 2.825 3.688 . 0 0 "[ . 1 . 2]" 1
436 1 72 LEU H 1 73 VAL H 5.000 . 5.500 4.401 3.701 4.663 . 0 0 "[ . 1 . 2]" 1
437 1 72 LEU H 1 73 VAL QG 5.000 . 5.500 4.058 3.814 4.810 . 0 0 "[ . 1 . 2]" 1
438 1 72 LEU HA 1 72 LEU QD 3.000 . 3.500 2.420 1.891 3.034 . 0 0 "[ . 1 . 2]" 1
439 1 72 LEU HA 1 73 VAL H 4.000 . 4.500 2.247 2.190 2.362 . 0 0 "[ . 1 . 2]" 1
440 1 72 LEU QB 1 73 VAL H 5.000 . 5.500 3.904 3.578 4.039 . 0 0 "[ . 1 . 2]" 1
441 1 72 LEU QD 1 73 VAL H 3.000 . 3.500 3.172 2.689 3.506 0.006 4 0 "[ . 1 . 2]" 1
442 1 72 LEU HG 1 73 VAL H 5.000 . 5.500 3.569 2.535 5.519 0.019 8 0 "[ . 1 . 2]" 1
443 1 73 VAL H 1 73 VAL HB 4.000 . 4.500 2.931 2.518 3.805 . 0 0 "[ . 1 . 2]" 1
444 1 73 VAL H 1 73 VAL QG 3.000 . 3.500 2.554 1.916 2.974 . 0 0 "[ . 1 . 2]" 1
445 1 73 VAL H 1 100 LEU HA 5.000 . 5.500 4.964 4.494 5.441 . 0 0 "[ . 1 . 2]" 1
446 1 73 VAL H 1 100 LEU QD 5.000 . 5.500 3.845 2.677 4.483 . 0 0 "[ . 1 . 2]" 1
447 1 73 VAL H 1 101 VAL H 5.000 . 5.500 3.377 3.082 3.906 . 0 0 "[ . 1 . 2]" 1
448 1 73 VAL HA 1 73 VAL QG 3.000 . 3.500 2.133 2.027 2.330 . 0 0 "[ . 1 . 2]" 1
449 1 73 VAL HA 1 74 LEU H 3.000 . 3.500 2.414 2.288 2.507 . 0 0 "[ . 1 . 2]" 1
450 1 73 VAL HB 1 74 LEU H 5.000 . 5.500 3.650 2.556 4.247 . 0 0 "[ . 1 . 2]" 1
451 1 73 VAL HB 1 101 VAL H 5.000 . 5.500 4.714 3.987 5.555 0.055 13 0 "[ . 1 . 2]" 1
452 1 73 VAL QG 1 74 LEU H 3.000 . 3.500 2.327 1.864 3.369 . 0 0 "[ . 1 . 2]" 1
453 1 74 LEU H 1 74 LEU QD 4.000 . 4.500 2.711 1.945 3.774 . 0 0 "[ . 1 . 2]" 1
454 1 74 LEU H 1 75 ILE H 5.000 . 5.500 4.442 4.253 4.584 . 0 0 "[ . 1 . 2]" 1
455 1 74 LEU H 1 76 PHE H 5.000 . 5.500 5.556 5.516 5.593 0.093 20 0 "[ . 1 . 2]" 1
456 1 74 LEU HA 1 75 ILE H 3.000 . 3.500 2.241 2.189 2.355 . 0 0 "[ . 1 . 2]" 1
457 1 74 LEU HA 1 76 PHE H 5.000 . 5.500 5.434 5.207 5.534 0.034 14 0 "[ . 1 . 2]" 1
458 1 74 LEU HA 1 100 LEU H 5.000 . 5.500 4.690 4.383 4.955 . 0 0 "[ . 1 . 2]" 1
459 1 74 LEU QB 1 75 ILE H 4.000 . 4.500 3.275 2.876 3.640 . 0 0 "[ . 1 . 2]" 1
460 1 74 LEU QB 1 76 PHE H 5.000 . 5.500 4.223 3.732 4.537 . 0 0 "[ . 1 . 2]" 1
461 1 75 ILE H 1 75 ILE HB 4.000 . 4.500 2.374 2.087 2.637 . 0 0 "[ . 1 . 2]" 1
462 1 75 ILE H 1 75 ILE MD 4.000 . 4.500 3.520 3.108 4.113 . 0 0 "[ . 1 . 2]" 1
463 1 75 ILE H 1 76 PHE H 5.000 . 5.500 4.172 3.872 4.333 . 0 0 "[ . 1 . 2]" 1
464 1 75 ILE H 1 98 VAL QG 5.000 . 5.500 3.246 2.271 4.654 . 0 0 "[ . 1 . 2]" 1
465 1 75 ILE H 1 99 HIS H 5.000 . 5.500 3.405 2.859 4.084 . 0 0 "[ . 1 . 2]" 1
466 1 75 ILE H 1 99 HIS QB 5.000 . 5.500 3.248 2.590 3.670 . 0 0 "[ . 1 . 2]" 1
467 1 75 ILE HA 1 75 ILE HB 3.000 . 3.500 2.980 2.449 3.037 . 0 0 "[ . 1 . 2]" 1
468 1 75 ILE HA 1 75 ILE MD 3.000 . 3.500 2.018 1.928 2.614 . 0 0 "[ . 1 . 2]" 1
469 1 75 ILE HA 1 75 ILE QG 3.000 . 3.500 2.865 2.361 2.995 . 0 0 "[ . 1 . 2]" 1
470 1 75 ILE HA 1 75 ILE MG 3.000 . 3.500 2.435 2.252 3.201 . 0 0 "[ . 1 . 2]" 1
471 1 75 ILE HA 1 76 PHE H 3.000 . 3.500 2.282 2.205 2.397 . 0 0 "[ . 1 . 2]" 1
472 1 75 ILE HA 1 80 ILE HA 3.000 . 3.500 2.895 2.601 3.367 . 0 0 "[ . 1 . 2]" 1
473 1 75 ILE HA 1 81 LEU H 5.000 . 5.500 3.127 2.845 3.259 . 0 0 "[ . 1 . 2]" 1
474 1 75 ILE HB 1 75 ILE MD 3.000 . 3.500 3.140 2.143 3.209 . 0 0 "[ . 1 . 2]" 1
475 1 75 ILE HB 1 76 PHE H 5.000 . 5.500 4.493 4.420 4.634 . 0 0 "[ . 1 . 2]" 1
476 1 75 ILE HB 1 99 HIS H 5.000 . 5.500 3.401 2.951 5.455 . 0 0 "[ . 1 . 2]" 1
477 1 75 ILE MD 1 76 PHE H 4.000 . 4.500 3.718 2.755 3.976 . 0 0 "[ . 1 . 2]" 1
478 1 75 ILE MD 1 78 GLY H 4.000 . 4.500 4.323 3.397 4.530 0.030 4 0 "[ . 1 . 2]" 1
479 1 75 ILE MD 1 79 LYS H 5.000 . 5.500 4.874 2.552 5.516 0.016 11 0 "[ . 1 . 2]" 1
480 1 75 ILE MD 1 99 HIS H 5.000 . 5.500 5.469 4.331 5.589 0.089 17 0 "[ . 1 . 2]" 1
481 1 75 ILE MD 1 99 HIS QB 5.000 . 5.500 4.500 3.637 4.827 . 0 0 "[ . 1 . 2]" 1
482 1 75 ILE QG 1 76 PHE H 5.000 . 5.500 4.706 3.468 4.887 . 0 0 "[ . 1 . 2]" 1
483 1 75 ILE MG 1 76 PHE H 5.000 . 5.500 3.466 3.158 4.129 . 0 0 "[ . 1 . 2]" 1
484 1 76 PHE H 1 76 PHE QD 5.000 . 5.500 4.165 4.091 4.272 . 0 0 "[ . 1 . 2]" 1
485 1 76 PHE H 1 79 LYS H 5.000 . 5.500 3.844 2.805 4.524 . 0 0 "[ . 1 . 2]" 1
486 1 76 PHE H 1 79 LYS QB 5.000 . 5.500 3.732 3.402 5.001 . 0 0 "[ . 1 . 2]" 1
487 1 76 PHE H 1 80 ILE HA 5.000 . 5.500 3.242 2.621 4.168 . 0 0 "[ . 1 . 2]" 1
488 1 76 PHE H 1 81 LEU H 5.000 . 5.500 2.285 2.019 2.664 . 0 0 "[ . 1 . 2]" 1
489 1 76 PHE H 1 81 LEU QD 4.000 . 4.500 3.878 3.065 4.403 . 0 0 "[ . 1 . 2]" 1
490 1 76 PHE HA 1 76 PHE QD 4.000 . 4.500 2.154 1.910 2.588 . 0 0 "[ . 1 . 2]" 1
491 1 76 PHE HA 1 77 ALA H 5.000 . 5.500 2.379 2.204 2.626 . 0 0 "[ . 1 . 2]" 1
492 1 76 PHE QB 1 77 ALA H 5.000 . 5.500 3.944 3.298 4.072 . 0 0 "[ . 1 . 2]" 1
493 1 76 PHE QB 1 81 LEU QD 5.000 . 5.500 2.232 1.749 3.014 0.051 1 0 "[ . 1 . 2]" 1
494 1 76 PHE QD 1 77 ALA H 5.000 . 5.500 3.337 1.922 4.520 . 0 0 "[ . 1 . 2]" 1
495 1 76 PHE QD 1 81 LEU QD 5.500 . 6.000 2.163 1.797 2.892 0.003 20 0 "[ . 1 . 2]" 1
496 1 76 PHE QD 1 87 LEU MD1 4.500 . 5.000 5.043 5.024 5.073 0.073 12 0 "[ . 1 . 2]" 1
497 1 76 PHE QD 1 92 ILE QG 5.500 . 6.000 4.381 3.651 5.397 . 0 0 "[ . 1 . 2]" 1
498 1 76 PHE QD 1 98 VAL HA 4.000 . 4.500 3.791 2.792 4.337 . 0 0 "[ . 1 . 2]" 1
499 1 76 PHE QD 1 98 VAL QG 4.500 . 5.000 2.605 1.859 3.543 . 0 0 "[ . 1 . 2]" 1
500 1 76 PHE QD 1 99 HIS H 5.000 . 5.500 5.253 4.411 5.533 0.033 9 0 "[ . 1 . 2]" 1
501 1 76 PHE QE 1 77 ALA MB 4.000 . 4.500 3.762 3.145 4.511 0.011 11 0 "[ . 1 . 2]" 1
502 1 76 PHE QE 1 87 LEU MD1 5.500 . 6.000 5.624 5.171 5.985 . 0 0 "[ . 1 . 2]" 1
503 1 76 PHE QE 1 92 ILE H 5.000 . 5.500 4.587 3.475 5.208 . 0 0 "[ . 1 . 2]" 1
504 1 76 PHE QE 1 93 HIS H 5.000 . 5.500 4.770 4.041 5.514 0.014 1 0 "[ . 1 . 2]" 1
505 1 76 PHE QE 1 96 LEU MD2 4.500 . 5.000 2.986 1.875 4.472 . 0 0 "[ . 1 . 2]" 1
506 1 76 PHE QE 1 98 VAL QG 4.500 . 5.000 3.873 2.796 4.891 . 0 0 "[ . 1 . 2]" 1
507 1 76 PHE HZ 1 96 LEU QD 4.000 . 4.500 2.436 1.797 3.610 0.003 16 0 "[ . 1 . 2]" 1
508 1 76 PHE HZ 1 96 LEU MD2 4.500 . 5.000 2.972 1.871 4.631 . 0 0 "[ . 1 . 2]" 1
509 1 77 ALA H 1 78 GLY H 5.000 . 5.500 3.003 2.731 4.359 . 0 0 "[ . 1 . 2]" 1
510 1 77 ALA HA 1 78 GLY H 4.000 . 4.500 2.893 2.251 3.084 . 0 0 "[ . 1 . 2]" 1
511 1 77 ALA MB 1 78 GLY H 5.000 . 5.500 3.615 3.539 3.739 . 0 0 "[ . 1 . 2]" 1
512 1 77 ALA MB 1 79 LYS H 5.000 . 5.500 3.773 2.992 4.846 . 0 0 "[ . 1 . 2]" 1
513 1 78 GLY H 1 79 LYS H 5.000 . 5.500 2.783 1.993 3.416 . 0 0 "[ . 1 . 2]" 1
514 1 78 GLY QA 1 79 LYS H 5.000 . 5.500 2.725 2.556 2.865 . 0 0 "[ . 1 . 2]" 1
515 1 79 LYS H 1 80 ILE H 5.000 . 5.500 4.491 4.350 4.658 . 0 0 "[ . 1 . 2]" 1
516 1 79 LYS HA 1 79 LYS QG 3.000 . 3.500 2.204 1.943 3.311 . 0 0 "[ . 1 . 2]" 1
517 1 79 LYS HA 1 80 ILE H 3.000 . 3.500 2.680 2.237 2.832 . 0 0 "[ . 1 . 2]" 1
518 1 79 LYS QB 1 80 ILE H 4.000 . 4.500 2.296 1.946 3.702 . 0 0 "[ . 1 . 2]" 1
519 1 79 LYS QG 1 80 ILE H 5.000 . 5.500 2.951 1.976 4.245 . 0 0 "[ . 1 . 2]" 1
520 1 80 ILE H 1 80 ILE HB 3.000 . 3.500 3.423 2.897 3.551 0.051 3 0 "[ . 1 . 2]" 1
521 1 80 ILE H 1 80 ILE MD 4.000 . 4.500 2.120 1.833 3.589 . 0 0 "[ . 1 . 2]" 1
522 1 80 ILE H 1 81 LEU H 5.000 . 5.500 3.992 3.755 4.372 . 0 0 "[ . 1 . 2]" 1
523 1 80 ILE HA 1 80 ILE MD 3.000 . 3.500 3.231 2.094 3.753 0.253 3 0 "[ . 1 . 2]" 1
524 1 80 ILE HA 1 80 ILE MG 3.000 . 3.500 2.102 1.979 2.270 . 0 0 "[ . 1 . 2]" 1
525 1 80 ILE HA 1 81 LEU H 4.000 . 4.500 2.331 2.220 2.426 . 0 0 "[ . 1 . 2]" 1
526 1 80 ILE HB 1 80 ILE MD 3.000 . 3.500 2.508 1.911 3.200 . 0 0 "[ . 1 . 2]" 1
527 1 80 ILE HB 1 81 LEU H 5.000 . 5.500 4.120 4.003 4.223 . 0 0 "[ . 1 . 2]" 1
528 1 80 ILE HB 1 82 LYS H 5.000 . 5.500 3.780 3.247 4.275 . 0 0 "[ . 1 . 2]" 1
529 1 80 ILE MD 1 81 LEU H 4.000 . 4.500 4.162 3.953 4.623 0.123 5 0 "[ . 1 . 2]" 1
530 1 80 ILE MD 1 82 LYS H 5.000 . 5.500 3.851 2.868 5.594 0.094 20 0 "[ . 1 . 2]" 1
531 1 81 LEU H 1 81 LEU QB 3.000 . 3.500 2.074 1.963 2.188 . 0 0 "[ . 1 . 2]" 1
532 1 81 LEU H 1 81 LEU QD 4.000 . 4.500 3.553 2.811 3.712 . 0 0 "[ . 1 . 2]" 1
533 1 81 LEU HA 1 81 LEU QD 3.000 . 3.500 2.640 2.016 3.034 . 0 0 "[ . 1 . 2]" 1
534 1 81 LEU HA 1 82 LYS H 4.000 . 4.500 2.372 2.277 2.510 . 0 0 "[ . 1 . 2]" 1
535 1 81 LEU HA 1 85 ASP H 5.000 . 5.500 5.136 4.830 5.490 . 0 0 "[ . 1 . 2]" 1
536 1 81 LEU QB 1 82 LYS H 5.000 . 5.500 3.995 3.943 4.060 . 0 0 "[ . 1 . 2]" 1
537 1 81 LEU QD 1 82 LYS H 5.000 . 5.500 3.778 3.134 4.375 . 0 0 "[ . 1 . 2]" 1
538 1 81 LEU QD 1 87 LEU QD 3.000 . 3.500 1.854 1.728 2.314 0.072 12 0 "[ . 1 . 2]" 1
539 1 81 LEU QD 1 92 ILE H 5.000 . 5.500 3.788 3.614 3.950 . 0 0 "[ . 1 . 2]" 1
540 1 81 LEU QD 1 92 ILE MG 5.000 . 5.500 3.027 1.883 4.247 . 0 0 "[ . 1 . 2]" 1
541 1 81 LEU QD 1 96 LEU H 5.000 . 5.500 5.531 5.426 5.602 0.102 3 0 "[ . 1 . 2]" 1
542 1 81 LEU QD 1 98 VAL QG 5.000 . 5.500 1.773 1.715 1.862 0.085 5 0 "[ . 1 . 2]" 1
543 1 82 LYS H 1 85 ASP QB 5.000 . 5.500 4.343 3.727 5.038 . 0 0 "[ . 1 . 2]" 1
544 1 82 LYS HA 1 83 ASP H 5.000 . 5.500 2.909 2.781 3.045 . 0 0 "[ . 1 . 2]" 1
545 1 82 LYS QB 1 83 ASP H 4.000 . 4.500 2.200 1.855 2.429 . 0 0 "[ . 1 . 2]" 1
546 1 82 LYS QB 1 84 GLN H 4.000 . 4.500 2.494 2.208 3.620 . 0 0 "[ . 1 . 2]" 1
547 1 82 LYS QB 1 85 ASP H 5.000 . 5.500 4.283 3.951 5.391 . 0 0 "[ . 1 . 2]" 1
548 1 82 LYS QG 1 83 ASP H 5.000 . 5.500 1.971 1.780 2.881 0.020 10 0 "[ . 1 . 2]" 1
549 1 83 ASP H 1 84 GLN H 5.000 . 5.500 2.561 2.520 2.685 . 0 0 "[ . 1 . 2]" 1
550 1 83 ASP H 1 85 ASP H 5.000 . 5.500 4.514 4.411 4.756 . 0 0 "[ . 1 . 2]" 1
551 1 83 ASP HA 1 84 GLN H 5.000 . 5.500 3.448 3.428 3.479 . 0 0 "[ . 1 . 2]" 1
552 1 83 ASP HA 1 85 ASP H 5.000 . 5.500 3.756 3.630 3.918 . 0 0 "[ . 1 . 2]" 1
553 1 83 ASP QB 1 84 GLN H 4.000 . 4.500 3.544 3.044 3.727 . 0 0 "[ . 1 . 2]" 1
554 1 84 GLN H 1 84 GLN QG 4.000 . 4.500 3.574 2.329 4.001 . 0 0 "[ . 1 . 2]" 1
555 1 84 GLN H 1 85 ASP H 4.000 . 4.500 2.769 2.669 2.852 . 0 0 "[ . 1 . 2]" 1
556 1 84 GLN HA 1 84 GLN QG 3.000 . 3.500 2.253 2.034 2.620 . 0 0 "[ . 1 . 2]" 1
557 1 84 GLN HA 1 85 ASP H 5.000 . 5.500 3.542 3.528 3.551 . 0 0 "[ . 1 . 2]" 1
558 1 84 GLN QB 1 85 ASP H 5.000 . 5.500 2.704 2.623 2.825 . 0 0 "[ . 1 . 2]" 1
559 1 84 GLN QG 1 85 ASP H 5.000 . 5.500 4.180 3.756 4.554 . 0 0 "[ . 1 . 2]" 1
560 1 85 ASP H 1 86 THR H 5.000 . 5.500 4.441 4.371 4.494 . 0 0 "[ . 1 . 2]" 1
561 1 85 ASP HA 1 86 THR H 4.000 . 4.500 2.471 2.257 2.718 . 0 0 "[ . 1 . 2]" 1
562 1 85 ASP QB 1 86 THR H 4.000 . 4.500 2.687 2.036 3.250 . 0 0 "[ . 1 . 2]" 1
563 1 86 THR H 1 86 THR HG1 4.000 . 4.500 2.420 1.892 2.900 . 0 0 "[ . 1 . 2]" 1
564 1 86 THR H 1 87 LEU H 5.000 . 5.500 4.617 4.475 4.686 . 0 0 "[ . 1 . 2]" 1
565 1 86 THR H 1 88 ILE MD 5.000 . 5.500 5.400 4.855 5.576 0.076 6 0 "[ . 1 . 2]" 1
566 1 86 THR H 1 88 ILE QG 5.000 . 5.500 4.872 4.535 5.699 0.199 19 0 "[ . 1 . 2]" 1
567 1 86 THR H 1 89 GLN H 5.000 . 5.500 4.111 3.777 4.317 . 0 0 "[ . 1 . 2]" 1
568 1 86 THR H 1 89 GLN HA 5.000 . 5.500 5.491 5.172 5.567 0.067 16 0 "[ . 1 . 2]" 1
569 1 86 THR H 1 89 GLN QB 5.000 . 5.500 2.471 2.145 2.648 . 0 0 "[ . 1 . 2]" 1
570 1 86 THR H 1 89 GLN QG 5.000 . 5.500 3.754 3.013 4.205 . 0 0 "[ . 1 . 2]" 1
571 1 86 THR HA 1 86 THR HB 3.000 . 3.500 2.734 2.469 2.995 . 0 0 "[ . 1 . 2]" 1
572 1 86 THR HA 1 86 THR HG1 3.000 . 3.500 2.136 1.964 2.400 . 0 0 "[ . 1 . 2]" 1
573 1 86 THR HA 1 86 THR MG 3.000 . 3.500 2.153 1.970 2.420 . 0 0 "[ . 1 . 2]" 1
574 1 86 THR HA 1 87 LEU H 4.000 . 4.500 2.322 2.201 2.438 . 0 0 "[ . 1 . 2]" 1
575 1 86 THR HA 1 88 ILE H 5.000 . 5.500 4.404 4.003 4.635 . 0 0 "[ . 1 . 2]" 1
576 1 86 THR HA 1 89 GLN H 5.000 . 5.500 4.402 4.152 4.608 . 0 0 "[ . 1 . 2]" 1
577 1 86 THR HB 1 87 LEU H 4.000 . 4.500 3.117 2.619 3.904 . 0 0 "[ . 1 . 2]" 1
578 1 86 THR HB 1 88 ILE H 5.000 . 5.500 3.096 2.682 3.465 . 0 0 "[ . 1 . 2]" 1
579 1 86 THR HB 1 88 ILE MG 5.000 . 5.500 4.264 2.144 4.664 . 0 0 "[ . 1 . 2]" 1
580 1 86 THR HB 1 89 GLN H 5.000 . 5.500 2.753 1.912 3.663 . 0 0 "[ . 1 . 2]" 1
581 1 86 THR HG1 1 87 LEU H 5.000 . 5.500 3.221 2.607 3.628 . 0 0 "[ . 1 . 2]" 1
582 1 87 LEU H 1 87 LEU QD 4.000 . 4.500 2.984 2.059 3.515 . 0 0 "[ . 1 . 2]" 1
583 1 87 LEU H 1 87 LEU HG 5.000 . 5.500 4.374 4.043 4.508 . 0 0 "[ . 1 . 2]" 1
584 1 87 LEU H 1 88 ILE H 5.000 . 5.500 2.797 2.477 2.906 . 0 0 "[ . 1 . 2]" 1
585 1 87 LEU H 1 88 ILE MD 5.000 . 5.500 5.036 3.256 5.561 0.061 6 0 "[ . 1 . 2]" 1
586 1 87 LEU H 1 88 ILE MG 5.000 . 5.500 4.305 3.541 5.656 0.156 19 0 "[ . 1 . 2]" 1
587 1 87 LEU H 1 90 HIS H 5.000 . 5.500 5.022 4.811 5.225 . 0 0 "[ . 1 . 2]" 1
588 1 87 LEU HA 1 87 LEU QD 3.000 . 3.500 1.968 1.847 2.289 . 0 0 "[ . 1 . 2]" 1
589 1 87 LEU HA 1 87 LEU HG 4.000 . 4.500 2.661 2.274 3.070 . 0 0 "[ . 1 . 2]" 1
590 1 87 LEU HA 1 88 ILE H 5.000 . 5.500 3.574 3.464 3.596 . 0 0 "[ . 1 . 2]" 1
591 1 87 LEU HA 1 90 HIS H 5.000 . 5.500 3.513 3.138 3.911 . 0 0 "[ . 1 . 2]" 1
592 1 87 LEU HA 1 92 ILE H 5.000 . 5.500 2.899 2.438 3.514 . 0 0 "[ . 1 . 2]" 1
593 1 87 LEU HA 1 92 ILE MD 4.000 . 4.500 4.243 3.625 4.590 0.090 14 0 "[ . 1 . 2]" 1
594 1 87 LEU QB 1 88 ILE H 5.000 . 5.500 2.475 2.287 2.798 . 0 0 "[ . 1 . 2]" 1
595 1 87 LEU QB 1 91 GLY H 5.000 . 5.500 4.515 4.218 4.945 . 0 0 "[ . 1 . 2]" 1
596 1 87 LEU QB 1 92 ILE H 5.000 . 5.500 3.870 3.233 4.694 . 0 0 "[ . 1 . 2]" 1
597 1 87 LEU QD 1 88 ILE H 5.000 . 5.500 3.949 3.845 4.044 . 0 0 "[ . 1 . 2]" 1
598 1 87 LEU QD 1 90 HIS QB 4.500 . 5.000 5.072 5.018 5.147 0.147 2 0 "[ . 1 . 2]" 1
599 1 87 LEU QD 1 92 ILE HA 4.000 . 4.500 4.466 4.090 4.622 0.122 19 0 "[ . 1 . 2]" 1
600 1 87 LEU HG 1 88 ILE H 5.000 . 5.500 4.384 3.765 5.047 . 0 0 "[ . 1 . 2]" 1
601 1 87 LEU HG 1 90 HIS H 5.000 . 5.500 5.321 5.124 5.499 . 0 0 "[ . 1 . 2]" 1
602 1 87 LEU HG 1 91 GLY H 5.000 . 5.500 4.482 3.927 5.033 . 0 0 "[ . 1 . 2]" 1
603 1 88 ILE H 1 88 ILE HB 4.000 . 4.500 3.449 2.534 3.557 . 0 0 "[ . 1 . 2]" 1
604 1 88 ILE H 1 88 ILE MD 5.000 . 5.500 3.410 1.850 3.725 . 0 0 "[ . 1 . 2]" 1
605 1 88 ILE H 1 88 ILE QG 4.000 . 4.500 2.103 1.868 4.019 . 0 0 "[ . 1 . 2]" 1
606 1 88 ILE H 1 88 ILE MG 4.000 . 4.500 2.192 1.801 3.664 . 0 0 "[ . 1 . 2]" 1
607 1 88 ILE H 1 89 GLN H 5.000 . 5.500 2.605 2.501 2.675 . 0 0 "[ . 1 . 2]" 1
608 1 88 ILE HA 1 88 ILE HB 3.000 . 3.500 2.518 2.358 3.033 . 0 0 "[ . 1 . 2]" 1
609 1 88 ILE HA 1 88 ILE QG 3.000 . 3.500 3.252 2.515 3.385 . 0 0 "[ . 1 . 2]" 1
610 1 88 ILE HA 1 89 GLN H 5.000 . 5.500 3.460 3.413 3.503 . 0 0 "[ . 1 . 2]" 1
611 1 88 ILE HA 1 90 HIS H 5.000 . 5.500 4.038 3.753 4.332 . 0 0 "[ . 1 . 2]" 1
612 1 88 ILE HA 1 91 GLY H 5.000 . 5.500 5.191 4.885 5.439 . 0 0 "[ . 1 . 2]" 1
613 1 88 ILE HA 1 92 ILE H 5.000 . 5.500 3.869 3.343 4.569 . 0 0 "[ . 1 . 2]" 1
614 1 88 ILE HB 1 89 GLN H 5.000 . 5.500 3.965 2.932 4.132 . 0 0 "[ . 1 . 2]" 1
615 1 88 ILE HB 1 90 HIS H 5.000 . 5.500 5.519 5.048 5.607 0.107 2 0 "[ . 1 . 2]" 1
616 1 88 ILE MD 1 89 GLN H 5.000 . 5.500 3.326 2.617 3.757 . 0 0 "[ . 1 . 2]" 1
617 1 88 ILE MD 1 90 HIS H 5.000 . 5.500 5.099 4.308 5.546 0.046 19 0 "[ . 1 . 2]" 1
618 1 88 ILE QG 1 88 ILE MG 3.000 . 3.500 2.127 1.905 2.648 . 0 0 "[ . 1 . 2]" 1
619 1 88 ILE QG 1 89 GLN H 5.000 . 5.500 2.344 2.027 4.083 . 0 0 "[ . 1 . 2]" 1
620 1 88 ILE MG 1 89 GLN H 4.000 . 4.500 3.917 1.958 4.172 . 0 0 "[ . 1 . 2]" 1
621 1 88 ILE MG 1 89 GLN HA 5.000 . 5.500 5.331 3.747 5.505 0.005 20 0 "[ . 1 . 2]" 1
622 1 88 ILE MG 1 90 HIS H 5.000 . 5.500 5.215 4.259 5.394 . 0 0 "[ . 1 . 2]" 1
623 1 89 GLN H 1 89 GLN QG 4.000 . 4.500 3.769 2.570 4.026 . 0 0 "[ . 1 . 2]" 1
624 1 89 GLN H 1 90 HIS H 5.000 . 5.500 2.407 2.288 2.690 . 0 0 "[ . 1 . 2]" 1
625 1 89 GLN H 1 90 HIS QB 5.000 . 5.500 4.305 4.004 4.435 . 0 0 "[ . 1 . 2]" 1
626 1 89 GLN H 1 91 GLY H 5.000 . 5.500 3.697 3.460 4.051 . 0 0 "[ . 1 . 2]" 1
627 1 89 GLN H 1 92 ILE H 5.000 . 5.500 4.583 4.352 4.847 . 0 0 "[ . 1 . 2]" 1
628 1 89 GLN HA 1 90 HIS H 5.000 . 5.500 3.451 3.304 3.496 . 0 0 "[ . 1 . 2]" 1
629 1 89 GLN QB 1 90 HIS H 5.000 . 5.500 3.150 2.973 3.491 . 0 0 "[ . 1 . 2]" 1
630 1 89 GLN QB 1 91 GLY H 5.000 . 5.500 4.152 3.922 4.600 . 0 0 "[ . 1 . 2]" 1
631 1 89 GLN QG 1 90 HIS H 5.000 . 5.500 4.180 3.962 4.356 . 0 0 "[ . 1 . 2]" 1
632 1 89 GLN QG 1 91 GLY H 5.000 . 5.500 5.373 5.039 5.560 0.060 4 0 "[ . 1 . 2]" 1
633 1 90 HIS H 1 91 GLY H 4.000 . 4.500 1.974 1.855 2.257 . 0 0 "[ . 1 . 2]" 1
634 1 90 HIS H 1 91 GLY QA 5.000 . 5.500 3.835 3.774 3.926 . 0 0 "[ . 1 . 2]" 1
635 1 90 HIS H 1 92 ILE H 5.000 . 5.500 3.188 2.784 3.344 . 0 0 "[ . 1 . 2]" 1
636 1 90 HIS H 1 92 ILE MD 5.000 . 5.500 5.453 5.242 5.627 0.127 19 0 "[ . 1 . 2]" 1
637 1 90 HIS H 1 92 ILE QG 4.000 . 4.500 4.587 4.512 4.675 0.175 2 0 "[ . 1 . 2]" 1
638 1 90 HIS HA 1 91 GLY H 5.000 . 5.500 3.552 3.521 3.570 . 0 0 "[ . 1 . 2]" 1
639 1 90 HIS HA 1 92 ILE H 5.000 . 5.500 4.519 4.125 4.678 . 0 0 "[ . 1 . 2]" 1
640 1 90 HIS QB 1 91 GLY H 5.000 . 5.500 2.750 2.454 2.927 . 0 0 "[ . 1 . 2]" 1
641 1 90 HIS QB 1 92 ILE H 5.000 . 5.500 4.881 4.569 5.007 . 0 0 "[ . 1 . 2]" 1
642 1 91 GLY H 1 92 ILE H 4.000 . 4.500 2.826 2.754 2.875 . 0 0 "[ . 1 . 2]" 1
643 1 91 GLY H 1 92 ILE MD 5.000 . 5.500 5.002 4.315 5.537 0.037 17 0 "[ . 1 . 2]" 1
644 1 91 GLY H 1 92 ILE QG 5.000 . 5.500 4.230 4.032 4.411 . 0 0 "[ . 1 . 2]" 1
645 1 91 GLY QA 1 92 ILE H 5.000 . 5.500 2.673 2.632 2.763 . 0 0 "[ . 1 . 2]" 1
646 1 92 ILE H 1 92 ILE HB 4.000 . 4.500 3.479 2.855 3.899 . 0 0 "[ . 1 . 2]" 1
647 1 92 ILE H 1 92 ILE MD 4.000 . 4.500 3.260 3.086 3.357 . 0 0 "[ . 1 . 2]" 1
648 1 92 ILE H 1 93 HIS H 5.000 . 5.500 4.394 4.149 4.479 . 0 0 "[ . 1 . 2]" 1
649 1 92 ILE HA 1 92 ILE MD 3.000 . 3.500 2.931 2.031 3.534 0.034 15 0 "[ . 1 . 2]" 1
650 1 92 ILE HA 1 92 ILE MG 3.000 . 3.500 2.201 1.953 2.348 . 0 0 "[ . 1 . 2]" 1
651 1 92 ILE HA 1 93 HIS H 4.000 . 4.500 2.388 2.213 2.578 . 0 0 "[ . 1 . 2]" 1
652 1 92 ILE HA 1 96 LEU QD 3.000 . 3.500 2.767 1.936 3.513 0.013 2 0 "[ . 1 . 2]" 1
653 1 92 ILE HB 1 92 ILE MD 3.000 . 3.500 2.628 2.055 3.193 . 0 0 "[ . 1 . 2]" 1
654 1 92 ILE HB 1 93 HIS H 5.000 . 5.500 3.043 2.365 4.190 . 0 0 "[ . 1 . 2]" 1
655 1 92 ILE MD 1 93 HIS H 5.000 . 5.500 3.430 2.373 4.481 . 0 0 "[ . 1 . 2]" 1
656 1 92 ILE MD 1 96 LEU H 5.000 . 5.500 3.802 3.012 4.550 . 0 0 "[ . 1 . 2]" 1
657 1 92 ILE MD 1 96 LEU QD 5.000 . 5.500 3.852 3.106 4.739 . 0 0 "[ . 1 . 2]" 1
658 1 92 ILE QG 1 93 HIS H 4.000 . 4.500 3.020 1.951 3.613 . 0 0 "[ . 1 . 2]" 1
659 1 92 ILE MG 1 96 LEU QB 4.000 . 4.500 2.392 1.816 3.501 . 0 0 "[ . 1 . 2]" 1
660 1 92 ILE MG 1 98 VAL QG 5.000 . 5.500 3.695 2.287 5.205 . 0 0 "[ . 1 . 2]" 1
661 1 93 HIS H 1 94 ASP H 5.000 . 5.500 1.993 1.848 2.263 . 0 0 "[ . 1 . 2]" 1
662 1 93 HIS H 1 96 LEU QB 5.000 . 5.500 3.010 2.590 3.668 . 0 0 "[ . 1 . 2]" 1
663 1 93 HIS H 1 96 LEU MD2 4.000 . 4.500 3.425 1.974 4.505 0.005 4 0 "[ . 1 . 2]" 1
664 1 93 HIS H 1 96 LEU HG 5.000 . 5.500 3.900 2.110 5.515 0.015 8 0 "[ . 1 . 2]" 1
665 1 93 HIS QB 1 94 ASP H 5.000 . 5.500 2.660 2.428 2.912 . 0 0 "[ . 1 . 2]" 1
666 1 94 ASP H 1 95 GLY H 5.000 . 5.500 1.954 1.883 2.212 . 0 0 "[ . 1 . 2]" 1
667 1 94 ASP HA 1 95 GLY H 3.000 . 3.500 2.939 2.797 3.001 . 0 0 "[ . 1 . 2]" 1
668 1 94 ASP HA 1 96 LEU H 5.000 . 5.500 5.475 5.268 5.530 0.030 3 0 "[ . 1 . 2]" 1
669 1 94 ASP QB 1 95 GLY H 5.000 . 5.500 3.921 3.793 4.058 . 0 0 "[ . 1 . 2]" 1
670 1 95 GLY H 1 96 LEU H 5.000 . 5.500 2.549 2.334 2.713 . 0 0 "[ . 1 . 2]" 1
671 1 95 GLY QA 1 96 LEU H 5.000 . 5.500 2.475 2.418 2.576 . 0 0 "[ . 1 . 2]" 1
672 1 96 LEU H 1 96 LEU QB 3.000 . 3.500 2.198 2.094 2.403 . 0 0 "[ . 1 . 2]" 1
673 1 96 LEU H 1 96 LEU MD2 5.000 . 5.500 3.890 2.525 4.533 . 0 0 "[ . 1 . 2]" 1
674 1 96 LEU H 1 96 LEU HG 4.000 . 4.500 3.965 2.583 4.500 0.000 5 0 "[ . 1 . 2]" 1
675 1 96 LEU H 1 97 THR H 5.000 . 5.500 4.509 4.423 4.572 . 0 0 "[ . 1 . 2]" 1
676 1 96 LEU HA 1 96 LEU QD 3.000 . 3.500 2.273 1.787 2.867 0.013 17 0 "[ . 1 . 2]" 1
677 1 96 LEU QB 1 97 THR H 3.000 . 3.500 2.421 1.987 2.746 . 0 0 "[ . 1 . 2]" 1
678 1 96 LEU MD2 1 97 THR H 5.000 . 5.500 3.243 1.993 4.280 . 0 0 "[ . 1 . 2]" 1
679 1 96 LEU HG 1 97 THR H 5.000 . 5.500 3.796 2.027 4.896 . 0 0 "[ . 1 . 2]" 1
680 1 97 THR H 1 97 THR HB 4.000 . 4.500 2.920 2.515 3.682 . 0 0 "[ . 1 . 2]" 1
681 1 97 THR H 1 98 VAL H 5.000 . 5.500 4.484 4.251 4.542 . 0 0 "[ . 1 . 2]" 1
682 1 97 THR HA 1 97 THR HG1 3.000 . 3.500 2.305 2.018 2.941 . 0 0 "[ . 1 . 2]" 1
683 1 97 THR HA 1 98 VAL H 3.000 . 3.500 2.262 2.206 2.296 . 0 0 "[ . 1 . 2]" 1
684 1 97 THR HB 1 98 VAL H 5.000 . 5.500 3.877 3.026 4.409 . 0 0 "[ . 1 . 2]" 1
685 1 97 THR HG1 1 98 VAL H 4.000 . 4.500 2.805 2.131 3.685 . 0 0 "[ . 1 . 2]" 1
686 1 97 THR HG1 1 99 HIS H 5.000 . 5.500 5.065 4.523 5.523 0.023 1 0 "[ . 1 . 2]" 1
687 1 98 VAL H 1 98 VAL QG 4.000 . 4.500 2.191 1.909 2.818 . 0 0 "[ . 1 . 2]" 1
688 1 98 VAL H 1 99 HIS H 5.000 . 5.500 4.448 4.377 4.541 . 0 0 "[ . 1 . 2]" 1
689 1 98 VAL HA 1 98 VAL QG 3.000 . 3.500 2.244 2.032 2.348 . 0 0 "[ . 1 . 2]" 1
690 1 98 VAL HA 1 99 HIS H 3.000 . 3.500 2.327 2.243 2.393 . 0 0 "[ . 1 . 2]" 1
691 1 98 VAL HB 1 99 HIS H 5.000 . 5.500 3.658 2.876 4.144 . 0 0 "[ . 1 . 2]" 1
692 1 98 VAL QG 1 99 HIS H 4.000 . 4.500 2.549 1.922 3.545 . 0 0 "[ . 1 . 2]" 1
693 1 99 HIS H 1 100 LEU H 5.000 . 5.500 4.525 4.426 4.629 . 0 0 "[ . 1 . 2]" 1
694 1 99 HIS HA 1 100 LEU H 3.000 . 3.500 2.240 2.213 2.293 . 0 0 "[ . 1 . 2]" 1
695 1 99 HIS QB 1 100 LEU H 5.000 . 5.500 3.500 3.034 3.939 . 0 0 "[ . 1 . 2]" 1
696 1 100 LEU H 1 100 LEU QD 4.000 . 4.500 3.668 3.515 3.741 . 0 0 "[ . 1 . 2]" 1
697 1 100 LEU H 1 101 VAL H 5.000 . 5.500 4.542 4.371 4.666 . 0 0 "[ . 1 . 2]" 1
698 1 100 LEU HA 1 100 LEU QD 3.000 . 3.500 2.832 1.935 3.053 . 0 0 "[ . 1 . 2]" 1
699 1 100 LEU HA 1 101 VAL H 4.000 . 4.500 2.241 2.204 2.304 . 0 0 "[ . 1 . 2]" 1
700 1 100 LEU QB 1 101 VAL H 5.000 . 5.500 3.738 3.510 3.905 . 0 0 "[ . 1 . 2]" 1
701 1 100 LEU QD 1 101 VAL H 5.000 . 5.500 2.936 2.203 3.614 . 0 0 "[ . 1 . 2]" 1
702 1 100 LEU QD 1 102 ILE H 5.000 . 5.500 4.014 3.478 5.016 . 0 0 "[ . 1 . 2]" 1
703 1 100 LEU QD 1 102 ILE MD 5.000 . 5.500 4.618 2.880 5.515 0.015 19 0 "[ . 1 . 2]" 1
704 1 101 VAL H 1 101 VAL QG 4.000 . 4.500 2.320 1.956 2.875 . 0 0 "[ . 1 . 2]" 1
705 1 101 VAL H 1 102 ILE H 5.000 . 5.500 4.258 3.961 4.438 . 0 0 "[ . 1 . 2]" 1
706 1 101 VAL HA 1 101 VAL QG 3.000 . 3.500 2.224 2.035 2.366 . 0 0 "[ . 1 . 2]" 1
707 1 101 VAL HA 1 102 ILE H 3.000 . 3.500 2.269 2.206 2.496 . 0 0 "[ . 1 . 2]" 1
708 1 101 VAL HB 1 102 ILE H 5.000 . 5.500 3.933 2.792 4.442 . 0 0 "[ . 1 . 2]" 1
709 1 101 VAL QG 1 102 ILE H 4.000 . 4.500 2.729 1.842 3.586 . 0 0 "[ . 1 . 2]" 1
710 1 102 ILE H 1 102 ILE HB 4.000 . 4.500 3.549 2.804 3.670 . 0 0 "[ . 1 . 2]" 1
711 1 102 ILE H 1 102 ILE MD 4.000 . 4.500 2.783 1.768 4.506 0.032 20 0 "[ . 1 . 2]" 1
712 1 102 ILE H 1 102 ILE QG 4.000 . 4.500 2.484 1.868 3.963 . 0 0 "[ . 1 . 2]" 1
713 1 102 ILE H 1 103 LYS H 5.000 . 5.500 4.524 4.204 4.626 . 0 0 "[ . 1 . 2]" 1
714 1 102 ILE HA 1 102 ILE MD 3.000 . 3.500 3.505 3.301 3.546 0.046 13 0 "[ . 1 . 2]" 1
715 1 102 ILE HA 1 102 ILE MG 3.000 . 3.500 2.480 2.315 3.195 . 0 0 "[ . 1 . 2]" 1
716 1 102 ILE HA 1 103 LYS H 3.000 . 3.500 2.225 2.200 2.239 . 0 0 "[ . 1 . 2]" 1
717 1 102 ILE HB 1 102 ILE MD 3.000 . 3.500 2.646 2.106 3.218 . 0 0 "[ . 1 . 2]" 1
718 1 102 ILE HB 1 103 LYS H 4.000 . 4.500 3.461 3.220 4.270 . 0 0 "[ . 1 . 2]" 1
719 1 102 ILE MD 1 103 LYS H 5.000 . 5.500 4.174 3.366 5.091 . 0 0 "[ . 1 . 2]" 1
720 1 102 ILE QG 1 103 LYS H 5.000 . 5.500 3.980 2.466 4.393 . 0 0 "[ . 1 . 2]" 1
721 1 102 ILE MG 1 103 LYS H 4.000 . 4.500 4.113 3.882 4.263 . 0 0 "[ . 1 . 2]" 1
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