NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
433555 |
2jv2   |
15465 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jv2
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 651
_Distance_constraint_stats_list.Viol_count 774
_Distance_constraint_stats_list.Viol_total 3458.046
_Distance_constraint_stats_list.Viol_max 1.978
_Distance_constraint_stats_list.Viol_rms 0.1027
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0110
_Distance_constraint_stats_list.Viol_average_violations_only 0.2031
_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 9 GLY 0.311 0.116 14 0 "[ . 1 . 2 ]"
1 10 VAL 0.513 0.202 18 0 "[ . 1 . 2 ]"
1 11 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 12 MET 0.392 0.067 1 0 "[ . 1 . 2 ]"
1 13 SER 0.320 0.057 19 0 "[ . 1 . 2 ]"
1 14 GLU 0.320 0.057 19 0 "[ . 1 . 2 ]"
1 15 LEU 0.763 0.070 11 0 "[ . 1 . 2 ]"
1 16 LYS 4.894 0.419 17 0 "[ . 1 . 2 ]"
1 17 LEU 5.047 0.419 17 0 "[ . 1 . 2 ]"
1 18 LYS 0.721 0.103 16 0 "[ . 1 . 2 ]"
1 19 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 20 LEU 0.657 0.042 20 0 "[ . 1 . 2 ]"
1 21 PRO 0.739 0.042 20 0 "[ . 1 . 2 ]"
1 22 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 23 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 24 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 25 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 26 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 27 PRO 2.962 0.102 19 0 "[ . 1 . 2 ]"
1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 29 PHE 2.833 0.188 21 0 "[ . 1 . 2 ]"
1 30 VAL 2.275 0.188 21 0 "[ . 1 . 2 ]"
1 31 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 32 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 33 ILE 0.830 0.052 19 0 "[ . 1 . 2 ]"
1 34 ARG 7.547 0.881 21 8 "[** * * 1 * . *+-]"
1 35 ILE 41.891 1.978 4 22 [***+*************-****]
1 36 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 37 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 38 GLN 60.980 1.978 4 22 [***+*****************-]
1 39 GLY 0.191 0.020 15 0 "[ . 1 . 2 ]"
1 40 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 41 THR 0.176 0.023 8 0 "[ . 1 . 2 ]"
1 42 VAL 27.140 1.369 9 22 [********+**********-**]
1 43 ARG 0.088 0.024 16 0 "[ . 1 . 2 ]"
1 44 THR 0.029 0.029 9 0 "[ . 1 . 2 ]"
1 45 GLY 0.151 0.017 8 0 "[ . 1 . 2 ]"
1 46 ASP 0.484 0.041 22 0 "[ . 1 . 2 ]"
1 47 VAL 1.013 0.056 5 0 "[ . 1 . 2 ]"
1 48 ILE 15.769 0.716 6 22 [*****+************-***]
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 50 ILE 16.267 0.825 21 18 "[** *.*-****** *** **+*]"
1 51 SER 0.879 0.228 14 0 "[ . 1 . 2 ]"
1 52 ILE 2.674 0.239 20 0 "[ . 1 . 2 ]"
1 53 LEU 4.311 0.458 20 0 "[ . 1 . 2 ]"
1 54 GLY 6.710 0.458 20 0 "[ . 1 . 2 ]"
1 55 LYS 5.074 0.239 20 0 "[ . 1 . 2 ]"
1 56 GLU 0.879 0.228 14 0 "[ . 1 . 2 ]"
1 57 VAL 7.759 0.503 6 1 "[ .+ 1 . 2 ]"
1 58 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 59 PHE 40.224 0.825 21 22 [*****-**************+*]
1 60 LYS 0.051 0.011 7 0 "[ . 1 . 2 ]"
1 61 VAL 27.965 1.369 9 22 [********+**********-**]
1 62 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 63 GLN 3.778 0.453 13 0 "[ . 1 . 2 ]"
1 64 ALA 2.310 0.453 13 0 "[ . 1 . 2 ]"
1 65 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 66 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 67 SER 0.067 0.014 6 0 "[ . 1 . 2 ]"
1 68 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 69 LEU 0.834 0.046 13 0 "[ . 1 . 2 ]"
1 70 ARG 0.191 0.020 15 0 "[ . 1 . 2 ]"
1 71 VAL 2.501 0.344 20 0 "[ . 1 . 2 ]"
1 72 GLU 9.591 0.564 22 4 "[* . 1 . -*+]"
1 73 ASP 0.157 0.018 6 0 "[ . 1 . 2 ]"
1 74 ARG 0.342 0.064 8 0 "[ . 1 . 2 ]"
1 75 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 76 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 77 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 78 THR 0.548 0.032 6 0 "[ . 1 . 2 ]"
1 79 LEU 0.360 0.032 6 0 "[ . 1 . 2 ]"
1 80 VAL 0.034 0.015 6 0 "[ . 1 . 2 ]"
1 81 THR 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 57 VAL H 1 57 VAL MG1 0.000 . 4.000 2.003 1.996 2.014 . 0 0 "[ . 1 . 2 ]" 1
2 1 79 LEU H 1 79 LEU HB2 0.000 . 3.200 2.308 2.288 2.471 . 0 0 "[ . 1 . 2 ]" 1
3 1 76 LYS H 1 76 LYS QB 0.000 . 3.500 2.283 2.258 2.292 . 0 0 "[ . 1 . 2 ]" 1
4 1 61 VAL H 1 61 VAL QG 0.000 . 4.000 2.141 2.090 2.225 . 0 0 "[ . 1 . 2 ]" 1
5 1 61 VAL H 1 61 VAL HB 0.000 . 3.200 2.427 2.417 2.442 . 0 0 "[ . 1 . 2 ]" 1
6 1 60 LYS H 1 60 LYS HB3 0.000 . 3.200 2.514 2.350 2.548 . 0 0 "[ . 1 . 2 ]" 1
7 1 52 ILE H 1 52 ILE MD 0.000 . 5.000 3.813 3.641 3.884 . 0 0 "[ . 1 . 2 ]" 1
8 1 58 LYS H 1 58 LYS QG 0.000 . 4.800 2.493 2.459 2.518 . 0 0 "[ . 1 . 2 ]" 1
9 1 77 ILE H 1 77 ILE HB 0.000 . 3.200 2.570 2.543 2.577 . 0 0 "[ . 1 . 2 ]" 1
10 1 57 VAL H 1 57 VAL HB 0.000 . 3.200 3.082 3.042 3.102 . 0 0 "[ . 1 . 2 ]" 1
11 1 18 LYS H 1 18 LYS HB2 0.000 . 4.000 2.969 2.875 3.038 . 0 0 "[ . 1 . 2 ]" 1
12 1 46 ASP H 1 46 ASP HB2 0.000 . 2.700 2.332 2.314 2.345 . 0 0 "[ . 1 . 2 ]" 1
13 1 37 LEU H 1 37 LEU QB 0.000 . 3.500 2.206 2.098 2.276 . 0 0 "[ . 1 . 2 ]" 1
14 1 22 LYS H 1 22 LYS HA 2.500 2.500 3.500 2.946 2.932 2.950 . 0 0 "[ . 1 . 2 ]" 1
15 1 70 ARG H 1 70 ARG HB3 0.000 . 4.000 3.447 3.444 3.450 . 0 0 "[ . 1 . 2 ]" 1
16 1 29 PHE HA 1 29 PHE HD1 0.000 . 4.000 3.520 3.402 3.661 . 0 0 "[ . 1 . 2 ]" 1
17 1 56 GLU H 1 56 GLU QG 0.000 . 4.800 3.968 3.937 4.044 . 0 0 "[ . 1 . 2 ]" 1
18 1 12 MET H 1 12 MET QG 0.000 . 5.000 2.005 1.952 2.115 . 0 0 "[ . 1 . 2 ]" 1
19 1 34 ARG H 1 34 ARG QB 0.000 . 2.700 2.175 2.171 2.179 . 0 0 "[ . 1 . 2 ]" 1
20 1 47 VAL H 1 47 VAL MG2 0.000 . 4.000 2.801 2.700 2.853 . 0 0 "[ . 1 . 2 ]" 1
21 1 69 LEU H 1 69 LEU HB3 0.000 . 3.200 3.238 3.229 3.246 0.046 13 0 "[ . 1 . 2 ]" 1
22 1 71 VAL H 1 71 VAL MG2 0.000 . 3.500 2.202 2.147 2.255 . 0 0 "[ . 1 . 2 ]" 1
23 1 63 GLN H 1 63 GLN QG 0.000 . 4.800 4.132 3.724 4.312 . 0 0 "[ . 1 . 2 ]" 1
24 1 78 THR H 1 78 THR HB 0.000 . 3.200 2.650 2.618 2.679 . 0 0 "[ . 1 . 2 ]" 1
25 1 79 LEU H 1 79 LEU HB3 0.000 . 4.000 3.583 3.571 3.699 . 0 0 "[ . 1 . 2 ]" 1
26 1 67 SER H 1 67 SER QB 0.000 . 3.500 2.289 2.201 2.484 . 0 0 "[ . 1 . 2 ]" 1
27 1 24 GLU H 1 24 GLU QB 0.000 . 3.200 2.381 2.271 2.915 . 0 0 "[ . 1 . 2 ]" 1
28 1 81 THR H 1 81 THR HA 2.700 2.700 7.700 2.973 2.970 2.976 . 0 0 "[ . 1 . 2 ]" 1
29 1 18 LYS H 1 18 LYS HB3 0.000 . 3.200 2.671 2.588 2.755 . 0 0 "[ . 1 . 2 ]" 1
30 1 80 VAL H 1 80 VAL HB 0.000 . 4.000 2.390 2.386 2.395 . 0 0 "[ . 1 . 2 ]" 1
31 1 45 GLY H 1 45 GLY HA2 0.000 . 2.700 2.417 2.414 2.421 . 0 0 "[ . 1 . 2 ]" 1
32 1 40 LYS H 1 40 LYS HB2 0.000 . 3.200 2.303 2.273 2.329 . 0 0 "[ . 1 . 2 ]" 1
33 1 13 SER H 1 13 SER HB3 0.000 . 4.000 2.894 2.606 3.187 . 0 0 "[ . 1 . 2 ]" 1
34 1 50 ILE H 1 50 ILE HB 0.000 . 4.000 2.581 2.550 2.614 . 0 0 "[ . 1 . 2 ]" 1
35 1 25 LEU H 1 25 LEU HB2 0.000 . 3.200 2.274 2.177 2.302 . 0 0 "[ . 1 . 2 ]" 1
36 1 70 ARG H 1 70 ARG HB2 0.000 . 3.200 2.113 2.110 2.117 . 0 0 "[ . 1 . 2 ]" 1
37 1 79 LEU H 1 79 LEU HG 0.000 . 4.000 2.617 2.575 2.879 . 0 0 "[ . 1 . 2 ]" 1
38 1 58 LYS H 1 58 LYS HB2 0.000 . 3.200 2.296 2.284 2.308 . 0 0 "[ . 1 . 2 ]" 1
39 1 55 LYS H 1 55 LYS QG 0.000 . 4.800 3.534 2.919 4.137 . 0 0 "[ . 1 . 2 ]" 1
40 1 16 LYS H 1 16 LYS HB2 0.000 . 3.200 2.170 2.134 2.210 . 0 0 "[ . 1 . 2 ]" 1
41 1 42 VAL H 1 42 VAL HB 0.000 . 4.000 3.779 3.763 3.808 . 0 0 "[ . 1 . 2 ]" 1
42 1 54 GLY H 1 54 GLY HA2 0.000 . 2.700 2.365 2.362 2.366 . 0 0 "[ . 1 . 2 ]" 1
43 1 74 ARG H 1 74 ARG QG 0.000 . 3.500 2.252 1.982 2.362 . 0 0 "[ . 1 . 2 ]" 1
44 1 71 VAL H 1 71 VAL MG1 0.000 . 4.800 3.750 3.746 3.754 . 0 0 "[ . 1 . 2 ]" 1
45 1 60 LYS H 1 60 LYS HB2 0.000 . 3.200 2.669 2.630 2.772 . 0 0 "[ . 1 . 2 ]" 1
46 1 40 LYS H 1 40 LYS HB3 0.000 . 4.000 3.564 3.556 3.573 . 0 0 "[ . 1 . 2 ]" 1
47 1 25 LEU H 1 25 LEU MD1 0.000 . 5.000 3.456 3.343 3.545 . 0 0 "[ . 1 . 2 ]" 1
48 1 71 VAL H 1 71 VAL HB 0.000 . 3.200 2.403 2.382 2.432 . 0 0 "[ . 1 . 2 ]" 1
49 1 54 GLY H 1 54 GLY HA3 2.700 2.700 3.700 2.916 2.911 2.921 . 0 0 "[ . 1 . 2 ]" 1
50 1 58 LYS H 1 58 LYS HB3 0.000 . 4.000 3.570 3.565 3.574 . 0 0 "[ . 1 . 2 ]" 1
51 1 16 LYS H 1 16 LYS HB3 0.000 . 4.000 3.477 3.449 3.507 . 0 0 "[ . 1 . 2 ]" 1
52 1 47 VAL H 1 47 VAL HB 0.000 . 3.200 2.645 2.591 2.656 . 0 0 "[ . 1 . 2 ]" 1
53 1 18 LYS H 1 18 LYS QD 0.000 . 4.800 4.692 4.530 4.903 0.103 16 0 "[ . 1 . 2 ]" 1
54 1 43 ARG H 1 43 ARG QG 0.000 . 4.800 3.532 2.947 4.094 . 0 0 "[ . 1 . 2 ]" 1
55 1 74 ARG H 1 74 ARG QD 0.000 . 4.800 3.877 3.759 4.071 . 0 0 "[ . 1 . 2 ]" 1
56 1 69 LEU H 1 69 LEU HB2 0.000 . 4.000 3.872 3.864 3.880 . 0 0 "[ . 1 . 2 ]" 1
57 1 75 THR H 1 75 THR MG 0.000 . 4.800 3.731 3.719 3.741 . 0 0 "[ . 1 . 2 ]" 1
58 1 36 LYS H 1 36 LYS QB 0.000 . 3.500 2.351 2.317 2.478 . 0 0 "[ . 1 . 2 ]" 1
59 1 15 LEU H 1 15 LEU HB3 0.000 . 4.000 2.716 2.584 3.703 . 0 0 "[ . 1 . 2 ]" 1
60 1 35 ILE H 1 35 ILE MD 0.000 . 5.000 3.203 3.127 3.252 . 0 0 "[ . 1 . 2 ]" 1
61 1 55 LYS H 1 55 LYS QB 0.000 . 3.500 2.516 2.472 2.592 . 0 0 "[ . 1 . 2 ]" 1
62 1 38 GLN H 1 38 GLN QB 0.000 . 3.500 2.430 2.406 2.445 . 0 0 "[ . 1 . 2 ]" 1
63 1 11 ILE H 1 11 ILE HB 0.000 . 3.200 2.471 2.389 2.571 . 0 0 "[ . 1 . 2 ]" 1
64 1 31 ASP H 1 31 ASP QB 0.000 . 3.500 2.300 2.191 2.355 . 0 0 "[ . 1 . 2 ]" 1
65 1 65 TYR H 1 65 TYR HB2 0.000 . 4.000 2.372 2.365 2.381 . 0 0 "[ . 1 . 2 ]" 1
66 1 15 LEU H 1 15 LEU HB2 0.000 . 4.000 2.854 2.480 2.974 . 0 0 "[ . 1 . 2 ]" 1
67 1 23 VAL H 1 23 VAL HB 0.000 . 4.000 3.233 3.211 3.244 . 0 0 "[ . 1 . 2 ]" 1
68 1 29 PHE H 1 29 PHE HB3 0.000 . 4.000 3.475 3.466 3.478 . 0 0 "[ . 1 . 2 ]" 1
69 1 12 MET H 1 12 MET HB3 0.000 . 3.200 2.825 2.606 3.267 0.067 1 0 "[ . 1 . 2 ]" 1
70 1 34 ARG HA 1 34 ARG HE 0.000 . 5.000 4.710 4.612 4.787 . 0 0 "[ . 1 . 2 ]" 1
71 1 35 ILE H 1 35 ILE HG12 0.000 . 5.000 3.529 3.495 3.561 . 0 0 "[ . 1 . 2 ]" 1
72 1 62 VAL H 1 62 VAL HB 0.000 . 3.200 2.431 2.424 2.443 . 0 0 "[ . 1 . 2 ]" 1
73 1 10 VAL H 1 10 VAL HB 0.000 . 3.200 2.557 2.408 3.402 0.202 18 0 "[ . 1 . 2 ]" 1
74 1 46 ASP H 1 46 ASP HB3 0.000 . 4.000 3.552 3.549 3.554 . 0 0 "[ . 1 . 2 ]" 1
75 1 44 THR H 1 44 THR HB 0.000 . 2.700 2.672 2.655 2.729 0.029 9 0 "[ . 1 . 2 ]" 1
76 1 30 VAL H 1 30 VAL HB 0.000 . 3.200 2.410 2.327 2.423 . 0 0 "[ . 1 . 2 ]" 1
77 1 78 THR H 1 78 THR MG 0.000 . 4.800 3.868 3.848 3.883 . 0 0 "[ . 1 . 2 ]" 1
78 1 52 ILE H 1 52 ILE HB 0.000 . 3.200 2.613 2.563 2.664 . 0 0 "[ . 1 . 2 ]" 1
79 1 36 LYS H 1 36 LYS HG2 0.000 . 3.500 2.901 2.006 3.452 . 0 0 "[ . 1 . 2 ]" 1
80 1 36 LYS H 1 36 LYS HG3 0.000 . 3.500 2.587 2.138 3.412 . 0 0 "[ . 1 . 2 ]" 1
81 1 81 THR H 1 81 THR MG 0.000 . 4.000 3.087 3.030 3.153 . 0 0 "[ . 1 . 2 ]" 1
82 1 41 THR H 1 41 THR HB 0.000 . 3.200 2.508 2.503 2.531 . 0 0 "[ . 1 . 2 ]" 1
83 1 32 VAL H 1 32 VAL HB 0.000 . 2.700 2.466 2.439 2.471 . 0 0 "[ . 1 . 2 ]" 1
84 1 28 ASP H 1 28 ASP HB3 0.000 . 4.000 2.611 2.565 2.630 . 0 0 "[ . 1 . 2 ]" 1
85 1 37 LEU HA 1 37 LEU MD2 0.000 . 4.000 2.071 2.015 2.187 . 0 0 "[ . 1 . 2 ]" 1
86 1 32 VAL H 1 32 VAL MG2 0.000 . 4.200 2.044 2.015 2.098 . 0 0 "[ . 1 . 2 ]" 1
87 1 35 ILE H 1 35 ILE HG13 0.000 . 4.000 2.074 2.051 2.094 . 0 0 "[ . 1 . 2 ]" 1
88 1 11 ILE H 1 11 ILE QG 0.000 . 5.000 2.540 2.097 2.746 . 0 0 "[ . 1 . 2 ]" 1
89 1 80 VAL H 1 80 VAL MG2 0.000 . 4.000 2.329 2.298 2.383 . 0 0 "[ . 1 . 2 ]" 1
90 1 75 THR H 1 75 THR HB 0.000 . 2.700 2.559 2.485 2.600 . 0 0 "[ . 1 . 2 ]" 1
91 1 59 PHE H 1 59 PHE QD 0.000 . 4.800 3.244 3.022 3.524 . 0 0 "[ . 1 . 2 ]" 1
92 1 72 GLU H 1 72 GLU QG 0.000 . 4.800 3.594 2.887 4.080 . 0 0 "[ . 1 . 2 ]" 1
93 1 74 ARG H 1 74 ARG QB 0.000 . 3.500 2.351 2.267 2.594 . 0 0 "[ . 1 . 2 ]" 1
94 1 29 PHE HA 1 29 PHE HD2 0.000 . 4.000 3.369 3.223 3.491 . 0 0 "[ . 1 . 2 ]" 1
95 1 14 GLU H 1 14 GLU QG 0.000 . 5.000 3.858 3.458 4.181 . 0 0 "[ . 1 . 2 ]" 1
96 1 62 VAL H 1 62 VAL MG2 0.000 . 4.000 2.138 2.090 2.222 . 0 0 "[ . 1 . 2 ]" 1
97 1 35 ILE H 1 35 ILE HB 0.000 . 2.700 2.418 2.408 2.436 . 0 0 "[ . 1 . 2 ]" 1
98 1 29 PHE H 1 29 PHE HB2 0.000 . 3.200 2.121 2.108 2.124 . 0 0 "[ . 1 . 2 ]" 1
99 1 16 LYS HA 1 17 LEU MD2 0.000 . 4.800 4.987 4.575 5.219 0.419 17 0 "[ . 1 . 2 ]" 1
100 1 20 LEU HB3 1 21 PRO QD 0.000 . 4.800 3.213 3.119 3.264 . 0 0 "[ . 1 . 2 ]" 1
101 1 15 LEU QB 1 16 LYS H 0.000 . 5.000 3.807 3.337 3.866 . 0 0 "[ . 1 . 2 ]" 1
102 1 40 LYS QG 1 41 THR H 0.000 . 5.000 3.999 3.880 4.452 . 0 0 "[ . 1 . 2 ]" 1
103 1 11 ILE HA 1 12 MET H 0.000 . 3.200 2.225 2.200 2.329 . 0 0 "[ . 1 . 2 ]" 1
104 1 56 GLU QG 1 57 VAL H 0.000 . 4.800 2.887 2.808 2.958 . 0 0 "[ . 1 . 2 ]" 1
105 1 43 ARG QD 1 44 THR H 0.000 . 5.800 4.622 4.048 4.973 . 0 0 "[ . 1 . 2 ]" 1
106 1 70 ARG QG 1 71 VAL H 0.000 . 4.000 3.595 3.576 3.605 . 0 0 "[ . 1 . 2 ]" 1
107 1 74 ARG QG 1 75 THR H 0.000 . 4.800 3.788 2.308 4.227 . 0 0 "[ . 1 . 2 ]" 1
108 1 59 PHE QB 1 60 LYS H 0.000 . 4.000 3.311 3.293 3.334 . 0 0 "[ . 1 . 2 ]" 1
109 1 10 VAL HA 1 11 ILE H 0.000 . 3.200 2.245 2.205 2.351 . 0 0 "[ . 1 . 2 ]" 1
110 1 37 LEU HA 1 38 GLN H 0.000 . 4.000 3.526 3.510 3.548 . 0 0 "[ . 1 . 2 ]" 1
111 1 55 LYS HA 1 56 GLU H 0.000 . 2.700 2.213 2.204 2.234 . 0 0 "[ . 1 . 2 ]" 1
112 1 40 LYS HA 1 41 THR H 0.000 . 2.700 2.342 2.320 2.350 . 0 0 "[ . 1 . 2 ]" 1
113 1 21 PRO QB 1 22 LYS H 0.000 . 4.800 2.780 2.582 2.978 . 0 0 "[ . 1 . 2 ]" 1
114 1 49 GLY HA3 1 50 ILE H 0.000 . 4.000 3.100 3.070 3.124 . 0 0 "[ . 1 . 2 ]" 1
115 1 69 LEU HA 1 70 ARG H 0.000 . 2.700 2.327 2.318 2.333 . 0 0 "[ . 1 . 2 ]" 1
116 1 80 VAL H 1 81 THR H 3.200 3.200 8.200 4.558 4.472 4.600 . 0 0 "[ . 1 . 2 ]" 1
117 1 22 LYS H 1 23 VAL H 3.500 3.500 8.500 4.189 4.065 4.413 . 0 0 "[ . 1 . 2 ]" 1
118 1 61 VAL H 1 62 VAL H 3.200 3.200 8.200 4.456 4.426 4.481 . 0 0 "[ . 1 . 2 ]" 1
119 1 23 VAL HB 1 24 GLU H 0.000 . 5.000 4.218 4.194 4.251 . 0 0 "[ . 1 . 2 ]" 1
120 1 9 GLY QA 1 10 VAL QG 0.000 . 6.300 3.295 2.915 3.784 . 0 0 "[ . 1 . 2 ]" 1
121 1 30 VAL HA 1 31 ASP H 0.000 . 5.000 3.537 3.533 3.567 . 0 0 "[ . 1 . 2 ]" 1
122 1 29 PHE HB2 1 30 VAL HB 0.000 . 5.000 4.485 4.421 4.838 . 0 0 "[ . 1 . 2 ]" 1
123 1 35 ILE MG 1 36 LYS H 0.000 . 4.000 3.391 3.363 3.400 . 0 0 "[ . 1 . 2 ]" 1
124 1 15 LEU HA 1 16 LYS H 0.000 . 2.700 2.207 2.197 2.214 . 0 0 "[ . 1 . 2 ]" 1
125 1 57 VAL MG2 1 58 LYS H 0.000 . 4.800 2.716 2.662 2.800 . 0 0 "[ . 1 . 2 ]" 1
126 1 18 LYS QG 1 19 PRO QD 0.000 . 4.800 2.344 2.029 2.606 . 0 0 "[ . 1 . 2 ]" 1
127 1 77 ILE HA 1 78 THR H 0.000 . 2.700 2.225 2.207 2.245 . 0 0 "[ . 1 . 2 ]" 1
128 1 70 ARG HA 1 71 VAL H 0.000 . 2.700 2.248 2.233 2.270 . 0 0 "[ . 1 . 2 ]" 1
129 1 74 ARG QB 1 75 THR H 0.000 . 4.800 3.097 2.909 3.662 . 0 0 "[ . 1 . 2 ]" 1
130 1 64 ALA HA 1 65 TYR H 0.000 . 2.700 2.228 2.220 2.240 . 0 0 "[ . 1 . 2 ]" 1
131 1 56 GLU QB 1 57 VAL H 0.000 . 4.800 3.830 3.770 3.862 . 0 0 "[ . 1 . 2 ]" 1
132 1 68 PRO QB 1 69 LEU H 0.000 . 4.000 2.789 2.726 2.844 . 0 0 "[ . 1 . 2 ]" 1
133 1 18 LYS HA 1 19 PRO QD 0.000 . 3.200 2.083 2.007 2.111 . 0 0 "[ . 1 . 2 ]" 1
134 1 52 ILE MG 1 53 LEU H 0.000 . 4.000 2.865 2.640 2.996 . 0 0 "[ . 1 . 2 ]" 1
135 1 24 GLU QB 1 25 LEU H 0.000 . 5.000 3.635 3.213 3.934 . 0 0 "[ . 1 . 2 ]" 1
136 1 55 LYS H 1 56 GLU H 3.200 3.200 8.200 4.316 4.253 4.370 . 0 0 "[ . 1 . 2 ]" 1
137 1 63 GLN HA 1 64 ALA H 0.000 . 2.700 2.202 2.195 2.212 . 0 0 "[ . 1 . 2 ]" 1
138 1 31 ASP QB 1 32 VAL H 0.000 . 4.800 2.500 2.469 2.554 . 0 0 "[ . 1 . 2 ]" 1
139 1 43 ARG QB 1 44 THR H 0.000 . 4.800 3.222 2.856 3.599 . 0 0 "[ . 1 . 2 ]" 1
140 1 44 THR MG 1 45 GLY H 0.000 . 4.000 2.579 2.478 2.626 . 0 0 "[ . 1 . 2 ]" 1
141 1 31 ASP H 1 32 VAL H 0.000 . 3.200 2.615 2.600 2.708 . 0 0 "[ . 1 . 2 ]" 1
142 1 14 GLU HA 1 15 LEU H 0.000 . 2.700 2.270 2.239 2.304 . 0 0 "[ . 1 . 2 ]" 1
143 1 47 VAL QG 1 48 ILE H 0.000 . 4.200 2.711 2.649 2.792 . 0 0 "[ . 1 . 2 ]" 1
144 1 17 LEU MD2 1 18 LYS H 0.000 . 5.800 3.289 3.131 3.530 . 0 0 "[ . 1 . 2 ]" 1
145 1 53 LEU HB2 1 54 GLY H 4.000 4.000 9.000 4.125 4.079 4.472 . 0 0 "[ . 1 . 2 ]" 1
146 1 58 LYS HB2 1 59 PHE H 0.000 . 5.000 4.280 4.235 4.341 . 0 0 "[ . 1 . 2 ]" 1
147 1 21 PRO HD3 1 22 LYS H 3.200 3.200 8.200 5.589 5.559 5.615 . 0 0 "[ . 1 . 2 ]" 1
148 1 33 ILE MD 1 34 ARG H 0.000 . 5.800 4.627 4.616 4.645 . 0 0 "[ . 1 . 2 ]" 1
149 1 48 ILE MG 1 49 GLY H 0.000 . 5.000 3.861 3.836 3.898 . 0 0 "[ . 1 . 2 ]" 1
150 1 73 ASP HA 1 74 ARG H 0.000 . 5.000 3.526 3.515 3.531 . 0 0 "[ . 1 . 2 ]" 1
151 1 30 VAL HB 1 31 ASP H 0.000 . 4.000 3.827 2.532 3.959 . 0 0 "[ . 1 . 2 ]" 1
152 1 29 PHE H 1 30 VAL H 0.000 . 4.000 2.816 2.801 2.867 . 0 0 "[ . 1 . 2 ]" 1
153 1 80 VAL HA 1 81 THR H 0.000 . 2.700 2.232 2.201 2.284 . 0 0 "[ . 1 . 2 ]" 1
154 1 71 VAL H 1 72 GLU H 3.200 3.200 8.200 4.572 4.521 4.604 . 0 0 "[ . 1 . 2 ]" 1
155 1 41 THR H 1 42 VAL H 3.200 3.200 5.000 4.592 4.586 4.597 . 0 0 "[ . 1 . 2 ]" 1
156 1 53 LEU HA 1 54 GLY H 2.700 2.700 7.700 2.976 2.943 2.985 . 0 0 "[ . 1 . 2 ]" 1
157 1 35 ILE H 1 36 LYS H 0.000 . 3.200 2.693 2.682 2.718 . 0 0 "[ . 1 . 2 ]" 1
158 1 32 VAL H 1 33 ILE H 0.000 . 3.200 2.615 2.609 2.623 . 0 0 "[ . 1 . 2 ]" 1
159 1 22 LYS HA 1 23 VAL H 0.000 . 2.700 2.297 2.160 2.355 . 0 0 "[ . 1 . 2 ]" 1
160 1 64 ALA MB 1 65 TYR H 0.000 . 4.800 3.137 3.090 3.199 . 0 0 "[ . 1 . 2 ]" 1
161 1 17 LEU HA 1 18 LYS H 0.000 . 2.700 2.310 2.291 2.329 . 0 0 "[ . 1 . 2 ]" 1
162 1 69 LEU QD 1 70 ARG H 0.000 . 5.500 3.292 3.264 3.310 . 0 0 "[ . 1 . 2 ]" 1
163 1 23 VAL QG 1 24 GLU H 0.000 . 5.500 2.477 2.413 2.582 . 0 0 "[ . 1 . 2 ]" 1
164 1 21 PRO HD2 1 22 LYS H 3.200 3.200 8.200 5.638 5.585 5.675 . 0 0 "[ . 1 . 2 ]" 1
165 1 47 VAL H 1 48 ILE H 3.200 3.200 5.000 4.335 4.315 4.359 . 0 0 "[ . 1 . 2 ]" 1
166 1 53 LEU H 1 54 GLY H 2.700 2.700 7.700 2.857 2.826 2.865 . 0 0 "[ . 1 . 2 ]" 1
167 1 9 GLY H 1 10 VAL H 3.200 3.200 5.000 4.067 3.084 4.642 0.116 14 0 "[ . 1 . 2 ]" 1
168 1 46 ASP HA 1 47 VAL H 0.000 . 2.700 2.307 2.297 2.317 . 0 0 "[ . 1 . 2 ]" 1
169 1 10 VAL HB 1 11 ILE H 0.000 . 5.000 4.164 3.916 4.533 . 0 0 "[ . 1 . 2 ]" 1
170 1 76 LYS QB 1 77 ILE H 0.000 . 4.800 3.064 2.960 3.201 . 0 0 "[ . 1 . 2 ]" 1
171 1 50 ILE HA 1 51 SER H 0.000 . 2.700 2.221 2.207 2.245 . 0 0 "[ . 1 . 2 ]" 1
172 1 79 LEU QD 1 80 VAL H 0.000 . 4.700 3.486 3.431 3.505 . 0 0 "[ . 1 . 2 ]" 1
173 1 40 LYS HB3 1 41 THR H 0.000 . 3.200 2.828 2.805 2.890 . 0 0 "[ . 1 . 2 ]" 1
174 1 63 GLN QB 1 64 ALA H 0.000 . 5.800 3.680 3.317 3.816 . 0 0 "[ . 1 . 2 ]" 1
175 1 44 THR H 1 45 GLY H 3.200 3.200 5.000 4.670 4.652 4.680 . 0 0 "[ . 1 . 2 ]" 1
176 1 38 GLN H 1 39 GLY H 3.200 3.200 5.000 4.710 4.705 4.715 . 0 0 "[ . 1 . 2 ]" 1
177 1 19 PRO QB 1 20 LEU H 0.000 . 5.800 3.191 3.136 3.261 . 0 0 "[ . 1 . 2 ]" 1
178 1 60 LYS H 1 61 VAL H 3.200 3.200 5.000 4.543 4.509 4.554 . 0 0 "[ . 1 . 2 ]" 1
179 1 64 ALA H 1 65 TYR H 3.200 3.200 5.000 4.520 4.489 4.541 . 0 0 "[ . 1 . 2 ]" 1
180 1 58 LYS HB3 1 59 PHE H 0.000 . 4.000 3.378 3.294 3.502 . 0 0 "[ . 1 . 2 ]" 1
181 1 35 ILE HB 1 36 LYS H 0.000 . 3.200 2.536 2.479 2.557 . 0 0 "[ . 1 . 2 ]" 1
182 1 65 TYR HB3 1 66 PRO HA 0.000 . 4.000 3.932 3.855 3.981 . 0 0 "[ . 1 . 2 ]" 1
183 1 34 ARG HE 1 35 ILE HG12 0.000 . 5.000 4.114 3.907 4.331 . 0 0 "[ . 1 . 2 ]" 1
184 1 60 LYS HB2 1 61 VAL H 0.000 . 5.000 4.293 4.254 4.355 . 0 0 "[ . 1 . 2 ]" 1
185 1 71 VAL HB 1 72 GLU H 0.000 . 5.000 4.244 4.168 4.311 . 0 0 "[ . 1 . 2 ]" 1
186 1 27 PRO QG 1 28 ASP H 0.000 . 4.800 4.173 4.110 4.190 . 0 0 "[ . 1 . 2 ]" 1
187 1 65 TYR HB2 1 66 PRO HA 0.000 . 5.000 4.759 4.737 4.781 . 0 0 "[ . 1 . 2 ]" 1
188 1 77 ILE H 1 78 THR H 3.200 3.200 5.000 4.421 4.376 4.462 . 0 0 "[ . 1 . 2 ]" 1
189 1 29 PHE HD2 1 30 VAL HA 0.000 . 5.800 5.811 5.733 5.833 0.033 13 0 "[ . 1 . 2 ]" 1
190 1 11 ILE MG 1 12 MET H 0.000 . 5.000 2.826 2.283 3.200 . 0 0 "[ . 1 . 2 ]" 1
191 1 29 PHE HA 1 30 VAL H 0.000 . 5.000 3.576 3.571 3.580 . 0 0 "[ . 1 . 2 ]" 1
192 1 59 PHE QD 1 60 LYS H 0.000 . 5.000 3.850 3.673 3.958 . 0 0 "[ . 1 . 2 ]" 1
193 1 33 ILE HB 1 34 ARG H 0.000 . 3.200 2.513 2.497 2.569 . 0 0 "[ . 1 . 2 ]" 1
194 1 75 THR HB 1 76 LYS H 0.000 . 5.000 4.115 4.042 4.180 . 0 0 "[ . 1 . 2 ]" 1
195 1 76 LYS HA 1 77 ILE H 0.000 . 2.700 2.263 2.233 2.291 . 0 0 "[ . 1 . 2 ]" 1
196 1 20 LEU HA 1 21 PRO HD2 0.000 . 4.000 4.030 4.020 4.042 0.042 20 0 "[ . 1 . 2 ]" 1
197 1 62 VAL QG 1 63 GLN H 0.000 . 4.700 3.204 3.181 3.232 . 0 0 "[ . 1 . 2 ]" 1
198 1 27 PRO HB3 1 28 ASP H 0.000 . 5.000 4.474 4.398 4.487 . 0 0 "[ . 1 . 2 ]" 1
199 1 63 GLN H 1 64 ALA H 3.200 3.200 5.000 4.141 4.087 4.192 . 0 0 "[ . 1 . 2 ]" 1
200 1 48 ILE HA 1 49 GLY H 0.000 . 2.700 2.314 2.268 2.345 . 0 0 "[ . 1 . 2 ]" 1
201 1 34 ARG HE 1 35 ILE HG13 0.000 . 4.000 3.371 3.087 3.548 . 0 0 "[ . 1 . 2 ]" 1
202 1 78 THR HA 1 79 LEU H 0.000 . 2.700 2.244 2.230 2.284 . 0 0 "[ . 1 . 2 ]" 1
203 1 42 VAL HA 1 43 ARG H 0.000 . 2.700 2.237 2.224 2.255 . 0 0 "[ . 1 . 2 ]" 1
204 1 16 LYS HA 1 17 LEU H 0.000 . 2.700 2.203 2.187 2.216 . 0 0 "[ . 1 . 2 ]" 1
205 1 40 LYS HB2 1 41 THR H 0.000 . 5.000 3.939 3.921 3.980 . 0 0 "[ . 1 . 2 ]" 1
206 1 28 ASP HB2 1 29 PHE H 0.000 . 5.000 3.920 3.895 3.954 . 0 0 "[ . 1 . 2 ]" 1
207 1 9 GLY QA 1 10 VAL H 0.000 . 3.200 2.328 2.163 2.735 . 0 0 "[ . 1 . 2 ]" 1
208 1 23 VAL H 1 24 GLU H 3.200 3.200 8.200 4.348 4.321 4.361 . 0 0 "[ . 1 . 2 ]" 1
209 1 72 GLU QG 1 73 ASP H 0.000 . 5.800 2.796 1.944 4.277 . 0 0 "[ . 1 . 2 ]" 1
210 1 74 ARG HA 1 75 THR H 0.000 . 4.000 3.504 3.492 3.517 . 0 0 "[ . 1 . 2 ]" 1
211 1 68 PRO HA 1 69 LEU H 0.000 . 2.700 2.385 2.368 2.408 . 0 0 "[ . 1 . 2 ]" 1
212 1 71 VAL HA 1 72 GLU HA 0.000 . 5.000 4.511 4.504 4.518 . 0 0 "[ . 1 . 2 ]" 1
213 1 53 LEU MD2 1 54 GLY H 4.800 4.800 9.800 4.714 4.454 5.603 0.346 21 0 "[ . 1 . 2 ]" 1
214 1 77 ILE MG 1 78 THR H 0.000 . 4.800 2.627 2.539 2.753 . 0 0 "[ . 1 . 2 ]" 1
215 1 59 PHE HA 1 60 LYS H 0.000 . 2.700 2.212 2.200 2.217 . 0 0 "[ . 1 . 2 ]" 1
216 1 79 LEU HA 1 80 VAL H 0.000 . 2.700 2.203 2.155 2.213 . 0 0 "[ . 1 . 2 ]" 1
217 1 56 GLU H 1 57 VAL H 3.200 3.200 8.200 4.555 4.534 4.578 . 0 0 "[ . 1 . 2 ]" 1
218 1 25 LEU HA 1 26 PRO QD 0.000 . 3.200 2.000 1.988 2.017 . 0 0 "[ . 1 . 2 ]" 1
219 1 16 LYS QB 1 17 LEU H 0.000 . 4.000 3.411 3.230 3.577 . 0 0 "[ . 1 . 2 ]" 1
220 1 57 VAL HB 1 58 LYS H 0.000 . 5.000 4.306 4.279 4.330 . 0 0 "[ . 1 . 2 ]" 1
221 1 44 THR HB 1 45 GLY H 0.000 . 5.000 4.041 3.999 4.071 . 0 0 "[ . 1 . 2 ]" 1
222 1 56 GLU HA 1 57 VAL H 0.000 . 2.700 2.207 2.199 2.215 . 0 0 "[ . 1 . 2 ]" 1
223 1 73 ASP QB 1 74 ARG QG 0.000 . 6.600 3.373 2.925 4.111 . 0 0 "[ . 1 . 2 ]" 1
224 1 12 MET QB 1 13 SER H 0.000 . 4.800 3.506 3.133 3.608 . 0 0 "[ . 1 . 2 ]" 1
225 1 28 ASP HA 1 29 PHE H 0.000 . 4.000 3.518 3.509 3.521 . 0 0 "[ . 1 . 2 ]" 1
226 1 61 VAL HA 1 62 VAL H 0.000 . 2.700 2.199 2.195 2.208 . 0 0 "[ . 1 . 2 ]" 1
227 1 69 LEU HB2 1 70 ARG H 0.000 . 4.000 2.897 2.874 2.913 . 0 0 "[ . 1 . 2 ]" 1
228 1 80 VAL MG1 1 81 THR HA 0.000 . 4.000 3.379 3.375 3.392 . 0 0 "[ . 1 . 2 ]" 1
229 1 57 VAL HA 1 58 LYS H 0.000 . 2.700 2.200 2.196 2.204 . 0 0 "[ . 1 . 2 ]" 1
230 1 66 PRO HB2 1 67 SER H 0.000 . 3.200 2.804 2.783 2.834 . 0 0 "[ . 1 . 2 ]" 1
231 1 16 LYS QD 1 17 LEU H 0.000 . 5.000 4.333 3.365 4.542 . 0 0 "[ . 1 . 2 ]" 1
232 1 32 VAL HB 1 33 ILE H 0.000 . 3.200 2.565 2.551 2.581 . 0 0 "[ . 1 . 2 ]" 1
233 1 73 ASP QB 1 74 ARG H 0.000 . 4.800 2.860 2.708 3.555 . 0 0 "[ . 1 . 2 ]" 1
234 1 62 VAL H 1 63 GLN H 0.000 . 3.200 2.470 2.452 2.501 . 0 0 "[ . 1 . 2 ]" 1
235 1 58 LYS HA 1 59 PHE H 0.000 . 2.700 2.220 2.209 2.230 . 0 0 "[ . 1 . 2 ]" 1
236 1 10 VAL QG 1 11 ILE H 0.000 . 4.700 2.623 2.255 3.495 . 0 0 "[ . 1 . 2 ]" 1
237 1 75 THR HA 1 76 LYS H 0.000 . 2.700 2.208 2.193 2.224 . 0 0 "[ . 1 . 2 ]" 1
238 1 14 GLU QG 1 15 LEU H 0.000 . 4.000 2.924 2.302 3.609 . 0 0 "[ . 1 . 2 ]" 1
239 1 37 LEU H 1 38 GLN H 0.000 . 3.200 2.380 2.360 2.416 . 0 0 "[ . 1 . 2 ]" 1
240 1 54 GLY HA2 1 55 LYS H 3.200 3.200 5.000 3.098 3.087 3.111 0.113 13 0 "[ . 1 . 2 ]" 1
241 1 33 ILE H 1 34 ARG H 0.000 . 4.000 2.734 2.709 2.748 . 0 0 "[ . 1 . 2 ]" 1
242 1 30 VAL QG 1 31 ASP H 0.000 . 4.000 2.071 1.964 3.104 . 0 0 "[ . 1 . 2 ]" 1
243 1 11 ILE HB 1 12 MET H 0.000 . 5.000 4.247 3.929 4.423 . 0 0 "[ . 1 . 2 ]" 1
244 1 41 THR HA 1 42 VAL MG2 0.000 . 4.000 3.379 3.370 3.394 . 0 0 "[ . 1 . 2 ]" 1
245 1 78 THR HB 1 79 LEU H 0.000 . 4.000 4.009 3.910 4.032 0.032 6 0 "[ . 1 . 2 ]" 1
246 1 61 VAL QG 1 62 VAL H 0.000 . 4.800 3.013 2.967 3.074 . 0 0 "[ . 1 . 2 ]" 1
247 1 53 LEU MD1 1 54 GLY H 4.800 4.800 9.800 5.374 4.342 5.576 0.458 20 0 "[ . 1 . 2 ]" 1
248 1 12 MET H 1 13 SER H 3.200 3.200 5.000 4.346 4.081 4.584 . 0 0 "[ . 1 . 2 ]" 1
249 1 72 GLU HB3 1 73 ASP H 0.000 . 4.000 3.114 2.363 3.617 . 0 0 "[ . 1 . 2 ]" 1
250 1 65 TYR H 1 66 PRO HA 0.000 . 5.000 4.591 4.549 4.636 . 0 0 "[ . 1 . 2 ]" 1
251 1 66 PRO QD 1 67 SER H 3.200 3.200 8.200 4.990 4.983 4.997 . 0 0 "[ . 1 . 2 ]" 1
252 1 72 GLU HA 1 73 ASP H 0.000 . 3.200 2.458 2.410 2.533 . 0 0 "[ . 1 . 2 ]" 1
253 1 61 VAL HB 1 62 VAL H 0.000 . 5.000 4.368 4.344 4.393 . 0 0 "[ . 1 . 2 ]" 1
254 1 30 VAL H 1 31 ASP H 0.000 . 3.200 2.754 2.738 2.852 . 0 0 "[ . 1 . 2 ]" 1
255 1 41 THR HB 1 42 VAL H 0.000 . 5.000 3.853 3.805 3.880 . 0 0 "[ . 1 . 2 ]" 1
256 1 63 GLN QE 1 64 ALA H 4.000 4.000 9.000 4.750 3.547 6.090 0.453 13 0 "[ . 1 . 2 ]" 1
257 1 20 LEU HG 1 21 PRO QD 0.000 . 4.800 4.063 3.948 4.200 . 0 0 "[ . 1 . 2 ]" 1
258 1 66 PRO HA 1 67 SER H 0.000 . 3.200 2.418 2.407 2.427 . 0 0 "[ . 1 . 2 ]" 1
259 1 48 ILE HB 1 49 GLY H 0.000 . 4.000 2.884 2.793 3.028 . 0 0 "[ . 1 . 2 ]" 1
260 1 22 LYS QB 1 23 VAL H 0.000 . 4.800 3.864 3.479 4.055 . 0 0 "[ . 1 . 2 ]" 1
261 1 20 LEU MD1 1 21 PRO QD 0.000 . 5.500 3.737 3.629 3.826 . 0 0 "[ . 1 . 2 ]" 1
262 1 33 ILE HA 1 34 ARG H 0.000 . 5.000 3.573 3.568 3.577 . 0 0 "[ . 1 . 2 ]" 1
263 1 51 SER HA 1 52 ILE H 0.000 . 2.700 2.212 2.208 2.217 . 0 0 "[ . 1 . 2 ]" 1
264 1 24 GLU QG 1 25 LEU H 0.000 . 5.800 3.822 2.855 4.707 . 0 0 "[ . 1 . 2 ]" 1
265 1 29 PHE H 1 30 VAL QG 0.000 . 5.500 3.954 3.904 4.087 . 0 0 "[ . 1 . 2 ]" 1
266 1 47 VAL HA 1 48 ILE H 0.000 . 2.700 2.215 2.207 2.226 . 0 0 "[ . 1 . 2 ]" 1
267 1 37 LEU QB 1 38 GLN H 0.000 . 4.800 2.836 2.731 2.949 . 0 0 "[ . 1 . 2 ]" 1
268 1 20 LEU HA 1 21 PRO HD3 0.000 . 5.000 4.449 4.428 4.462 . 0 0 "[ . 1 . 2 ]" 1
269 1 51 SER QB 1 52 ILE H 0.000 . 4.800 3.728 3.340 3.924 . 0 0 "[ . 1 . 2 ]" 1
270 1 59 PHE H 1 60 LYS H 3.200 3.200 5.000 4.415 4.383 4.436 . 0 0 "[ . 1 . 2 ]" 1
271 1 38 GLN HA 1 39 GLY H 0.000 . 3.200 2.290 2.269 2.317 . 0 0 "[ . 1 . 2 ]" 1
272 1 13 SER HA 1 14 GLU H 0.000 . 2.700 2.341 2.253 2.442 . 0 0 "[ . 1 . 2 ]" 1
273 1 71 VAL HA 1 72 GLU H 0.000 . 2.700 2.211 2.197 2.230 . 0 0 "[ . 1 . 2 ]" 1
274 1 67 SER H 1 68 PRO QD 3.200 3.200 8.200 4.954 4.942 4.961 . 0 0 "[ . 1 . 2 ]" 1
275 1 23 VAL HA 1 24 GLU H 0.000 . 2.700 2.250 2.235 2.262 . 0 0 "[ . 1 . 2 ]" 1
276 1 78 THR MG 1 79 LEU H 0.000 . 4.000 2.480 2.228 2.613 . 0 0 "[ . 1 . 2 ]" 1
277 1 42 VAL HB 1 43 ARG H 0.000 . 3.200 3.160 3.071 3.224 0.024 16 0 "[ . 1 . 2 ]" 1
278 1 25 LEU HB3 1 26 PRO QD 0.000 . 4.800 3.074 2.623 3.310 . 0 0 "[ . 1 . 2 ]" 1
279 1 42 VAL H 1 43 ARG H 3.200 3.200 5.000 4.422 4.397 4.443 . 0 0 "[ . 1 . 2 ]" 1
280 1 55 LYS QB 1 56 GLU H 0.000 . 4.800 3.535 3.153 3.835 . 0 0 "[ . 1 . 2 ]" 1
281 1 38 GLN QB 1 39 GLY H 0.000 . 5.000 2.847 2.772 2.923 . 0 0 "[ . 1 . 2 ]" 1
282 1 71 VAL MG1 1 72 GLU H 0.000 . 4.000 2.751 2.625 2.882 . 0 0 "[ . 1 . 2 ]" 1
283 1 19 PRO HA 1 20 LEU H 0.000 . 3.200 2.245 2.230 2.257 . 0 0 "[ . 1 . 2 ]" 1
284 1 72 GLU HB2 1 73 ASP H 0.000 . 4.000 3.836 3.548 4.018 0.018 6 0 "[ . 1 . 2 ]" 1
285 1 76 LYS QG 1 77 ILE H 0.000 . 4.800 4.050 3.996 4.114 . 0 0 "[ . 1 . 2 ]" 1
286 1 52 ILE HA 1 53 LEU H 0.000 . 3.200 2.202 2.197 2.220 . 0 0 "[ . 1 . 2 ]" 1
287 1 63 GLN QG 1 64 ALA H 0.000 . 4.000 3.003 2.698 3.612 . 0 0 "[ . 1 . 2 ]" 1
288 1 52 ILE H 1 53 LEU H 3.200 3.200 8.200 4.302 4.243 4.371 . 0 0 "[ . 1 . 2 ]" 1
289 1 12 MET HA 1 13 SER H 0.000 . 2.700 2.187 2.154 2.224 . 0 0 "[ . 1 . 2 ]" 1
290 1 60 LYS HA 1 61 VAL H 0.000 . 2.700 2.244 2.225 2.260 . 0 0 "[ . 1 . 2 ]" 1
291 1 35 ILE HA 1 36 LYS H 0.000 . 5.000 3.567 3.563 3.577 . 0 0 "[ . 1 . 2 ]" 1
292 1 46 ASP HB3 1 47 VAL H 0.000 . 3.200 2.895 2.872 2.910 . 0 0 "[ . 1 . 2 ]" 1
293 1 12 MET QG 1 13 SER H 0.000 . 5.800 4.269 4.087 4.457 . 0 0 "[ . 1 . 2 ]" 1
294 1 29 PHE H 1 30 VAL HB 0.000 . 5.500 5.010 4.806 5.040 . 0 0 "[ . 1 . 2 ]" 1
295 1 69 LEU H 1 70 ARG H 3.200 3.200 5.000 4.441 4.436 4.444 . 0 0 "[ . 1 . 2 ]" 1
296 1 43 ARG HA 1 44 THR H 0.000 . 2.700 2.308 2.287 2.342 . 0 0 "[ . 1 . 2 ]" 1
297 1 70 ARG H 1 71 VAL H 3.200 3.200 8.200 4.601 4.593 4.606 . 0 0 "[ . 1 . 2 ]" 1
298 1 46 ASP H 1 47 VAL H 3.200 3.200 5.000 4.696 4.691 4.701 . 0 0 "[ . 1 . 2 ]" 1
299 1 20 LEU H 1 21 PRO QD 0.000 . 3.500 2.192 2.120 2.268 . 0 0 "[ . 1 . 2 ]" 1
300 1 33 ILE MG 1 34 ARG H 0.000 . 4.000 3.369 3.353 3.398 . 0 0 "[ . 1 . 2 ]" 1
301 1 21 PRO HA 1 22 LYS H 0.000 . 3.200 2.380 2.304 2.463 . 0 0 "[ . 1 . 2 ]" 1
302 1 58 LYS H 1 59 PHE H 3.200 3.200 5.000 4.541 4.506 4.564 . 0 0 "[ . 1 . 2 ]" 1
303 1 14 GLU QB 1 15 LEU H 0.000 . 4.000 3.346 2.902 3.603 . 0 0 "[ . 1 . 2 ]" 1
304 1 28 ASP H 1 29 PHE H 0.000 . 4.000 2.503 2.482 2.552 . 0 0 "[ . 1 . 2 ]" 1
305 1 10 VAL H 1 11 ILE H 3.200 3.200 8.200 4.453 3.467 4.628 . 0 0 "[ . 1 . 2 ]" 1
306 1 60 LYS QG 1 61 VAL H 0.000 . 4.800 2.572 2.438 2.921 . 0 0 "[ . 1 . 2 ]" 1
307 1 62 VAL HA 1 63 GLN H 0.000 . 4.000 3.571 3.567 3.578 . 0 0 "[ . 1 . 2 ]" 1
308 1 73 ASP H 1 74 ARG H 2.700 2.700 5.000 2.732 2.707 2.770 . 0 0 "[ . 1 . 2 ]" 1
309 1 48 ILE H 1 49 GLY H 3.200 3.200 5.000 4.454 4.423 4.468 . 0 0 "[ . 1 . 2 ]" 1
310 1 24 GLU H 1 25 LEU H 3.200 3.200 8.200 4.330 4.166 4.429 . 0 0 "[ . 1 . 2 ]" 1
311 1 54 GLY H 1 55 LYS H 2.500 2.500 4.000 2.515 2.499 2.545 0.001 20 0 "[ . 1 . 2 ]" 1
312 1 60 LYS HB3 1 61 VAL H 0.000 . 5.000 4.033 3.962 4.215 . 0 0 "[ . 1 . 2 ]" 1
313 1 29 PHE HB3 1 30 VAL HB 0.000 . 5.000 4.676 4.595 5.188 0.188 21 0 "[ . 1 . 2 ]" 1
314 1 45 GLY H 1 46 ASP H 0.000 . 3.200 2.713 2.697 2.726 . 0 0 "[ . 1 . 2 ]" 1
315 1 39 GLY HA2 1 40 LYS H 0.000 . 4.000 3.523 3.518 3.527 . 0 0 "[ . 1 . 2 ]" 1
316 1 57 VAL MG1 1 58 LYS H 0.000 . 5.800 4.025 3.998 4.042 . 0 0 "[ . 1 . 2 ]" 1
317 1 50 ILE H 1 51 SER H 3.200 3.200 8.200 4.379 4.337 4.410 . 0 0 "[ . 1 . 2 ]" 1
318 1 65 TYR HA 1 66 PRO HA 0.000 . 2.700 1.974 1.959 1.989 . 0 0 "[ . 1 . 2 ]" 1
319 1 45 GLY HA2 1 46 ASP H 2.700 2.700 7.700 3.490 3.482 3.495 . 0 0 "[ . 1 . 2 ]" 1
320 1 14 GLU H 1 15 LEU H 3.200 3.200 5.000 4.359 4.323 4.389 . 0 0 "[ . 1 . 2 ]" 1
321 1 15 LEU QD 1 16 LYS H 0.000 . 5.000 2.815 2.384 3.408 . 0 0 "[ . 1 . 2 ]" 1
322 1 75 THR MG 1 76 LYS H 0.000 . 4.000 2.684 2.448 2.872 . 0 0 "[ . 1 . 2 ]" 1
323 1 13 SER HB3 1 14 GLU H 0.000 . 4.000 4.007 3.945 4.057 0.057 19 0 "[ . 1 . 2 ]" 1
324 1 31 ASP HA 1 32 VAL H 0.000 . 5.000 3.566 3.562 3.568 . 0 0 "[ . 1 . 2 ]" 1
325 1 39 GLY H 1 40 LYS H 0.000 . 3.200 2.888 2.867 2.904 . 0 0 "[ . 1 . 2 ]" 1
326 1 77 ILE HB 1 78 THR H 0.000 . 5.000 4.178 4.114 4.249 . 0 0 "[ . 1 . 2 ]" 1
327 1 25 LEU MD2 1 26 PRO QD 0.000 . 5.600 2.762 2.448 2.960 . 0 0 "[ . 1 . 2 ]" 1
328 1 13 SER H 1 14 GLU H 3.200 3.200 5.000 4.566 4.465 4.672 . 0 0 "[ . 1 . 2 ]" 1
329 1 51 SER H 1 52 ILE H 3.200 3.200 8.200 4.492 4.453 4.548 . 0 0 "[ . 1 . 2 ]" 1
330 1 36 LYS QB 1 37 LEU H 0.000 . 4.000 2.694 2.571 3.564 . 0 0 "[ . 1 . 2 ]" 1
331 1 29 PHE QB 1 30 VAL H 0.000 . 4.800 2.605 2.419 2.657 . 0 0 "[ . 1 . 2 ]" 1
332 1 27 PRO HB2 1 28 ASP H 0.000 . 4.000 3.419 3.286 3.440 . 0 0 "[ . 1 . 2 ]" 1
333 1 36 LYS HA 1 37 LEU H 0.000 . 5.000 3.562 3.529 3.571 . 0 0 "[ . 1 . 2 ]" 1
334 1 54 GLY HA3 1 55 LYS H 0.000 . 3.500 3.507 3.502 3.511 0.011 8 0 "[ . 1 . 2 ]" 1
335 1 66 PRO HB3 1 67 SER H 0.000 . 4.000 3.672 3.652 3.700 . 0 0 "[ . 1 . 2 ]" 1
336 1 69 LEU HB3 1 70 ARG H 0.000 . 5.000 4.055 4.043 4.064 . 0 0 "[ . 1 . 2 ]" 1
337 1 24 GLU HA 1 25 LEU H 0.000 . 2.700 2.210 2.202 2.232 . 0 0 "[ . 1 . 2 ]" 1
338 1 53 LEU HB3 1 54 GLY H 4.000 4.000 9.000 4.418 4.085 4.463 . 0 0 "[ . 1 . 2 ]" 1
339 1 62 VAL HB 1 63 GLN H 0.000 . 2.700 2.501 2.461 2.555 . 0 0 "[ . 1 . 2 ]" 1
340 1 79 LEU HB3 1 80 VAL H 0.000 . 5.000 3.500 3.379 3.642 . 0 0 "[ . 1 . 2 ]" 1
341 1 49 GLY HA2 1 50 ILE H 0.000 . 3.200 2.231 2.221 2.245 . 0 0 "[ . 1 . 2 ]" 1
342 1 57 VAL H 1 58 LYS H 3.200 3.200 8.200 4.369 4.344 4.397 . 0 0 "[ . 1 . 2 ]" 1
343 1 55 LYS QG 1 56 GLU H 0.000 . 5.800 3.489 2.647 4.639 . 0 0 "[ . 1 . 2 ]" 1
344 1 32 VAL HA 1 33 ILE H 0.000 . 5.000 3.560 3.557 3.564 . 0 0 "[ . 1 . 2 ]" 1
345 1 17 LEU HB2 1 18 LYS H 0.000 . 4.000 4.007 3.937 4.033 0.033 13 0 "[ . 1 . 2 ]" 1
346 1 41 THR HA 1 42 VAL H 0.000 . 2.700 2.292 2.278 2.315 . 0 0 "[ . 1 . 2 ]" 1
347 1 27 PRO QD 1 28 ASP H 0.000 . 4.800 2.799 2.773 2.828 . 0 0 "[ . 1 . 2 ]" 1
348 1 65 TYR QD 1 66 PRO HA 0.000 . 4.000 2.967 2.820 3.526 . 0 0 "[ . 1 . 2 ]" 1
349 1 17 LEU HB3 1 18 LYS H 0.000 . 5.000 2.934 2.881 3.010 . 0 0 "[ . 1 . 2 ]" 1
350 1 34 ARG HA 1 35 ILE H 0.000 . 5.000 3.569 3.566 3.575 . 0 0 "[ . 1 . 2 ]" 1
351 1 27 PRO HA 1 28 ASP H 0.000 . 3.500 3.460 3.456 3.479 . 0 0 "[ . 1 . 2 ]" 1
352 1 71 VAL MG2 1 72 GLU H 0.000 . 5.800 4.091 4.045 4.129 . 0 0 "[ . 1 . 2 ]" 1
353 1 26 PRO HA 1 27 PRO QD 0.000 . 3.200 2.044 2.016 2.071 . 0 0 "[ . 1 . 2 ]" 1
354 1 74 ARG QD 1 75 THR H 0.000 . 5.800 4.930 4.253 5.148 . 0 0 "[ . 1 . 2 ]" 1
355 1 34 ARG H 1 35 ILE H 0.000 . 3.200 2.807 2.782 2.832 . 0 0 "[ . 1 . 2 ]" 1
356 1 70 ARG QB 1 71 VAL H 0.000 . 4.000 3.097 3.033 3.145 . 0 0 "[ . 1 . 2 ]" 1
357 1 44 THR HA 1 45 GLY H 0.000 . 3.200 2.231 2.223 2.239 . 0 0 "[ . 1 . 2 ]" 1
358 1 50 ILE MG 1 51 SER H 0.000 . 5.000 2.738 2.610 2.868 . 0 0 "[ . 1 . 2 ]" 1
359 1 49 GLY H 1 50 ILE H 3.200 3.200 5.000 4.516 4.500 4.523 . 0 0 "[ . 1 . 2 ]" 1
360 1 20 LEU HB2 1 21 PRO QD 0.000 . 4.800 2.258 2.213 2.316 . 0 0 "[ . 1 . 2 ]" 1
361 1 17 LEU H 1 18 LYS H 3.200 3.200 5.000 4.521 4.485 4.554 . 0 0 "[ . 1 . 2 ]" 1
362 1 46 ASP HB2 1 47 VAL H 0.000 . 4.000 4.022 4.012 4.041 0.041 22 0 "[ . 1 . 2 ]" 1
363 1 39 GLY HA3 1 40 LYS H 0.000 . 4.000 3.026 3.012 3.051 . 0 0 "[ . 1 . 2 ]" 1
364 1 63 GLN HA 1 64 ALA MB 0.000 . 5.800 3.948 3.917 3.994 . 0 0 "[ . 1 . 2 ]" 1
365 1 13 SER HB2 1 14 GLU H 0.000 . 5.000 2.865 2.618 3.129 . 0 0 "[ . 1 . 2 ]" 1
366 1 61 VAL QG 1 63 GLN H 0.000 . 4.000 2.968 2.851 3.068 . 0 0 "[ . 1 . 2 ]" 1
367 1 57 VAL MG2 1 59 PHE QE 0.000 . 6.600 2.618 2.350 2.768 . 0 0 "[ . 1 . 2 ]" 1
368 1 72 GLU QG 1 75 THR H 0.000 . 4.800 3.896 3.485 4.341 . 0 0 "[ . 1 . 2 ]" 1
369 1 25 LEU HB3 1 29 PHE HB2 0.000 . 5.000 2.425 2.241 2.759 . 0 0 "[ . 1 . 2 ]" 1
370 1 43 ARG QB 1 46 ASP H 0.000 . 5.800 4.296 4.210 4.392 . 0 0 "[ . 1 . 2 ]" 1
371 1 26 PRO QD 1 29 PHE H 0.000 . 5.800 4.141 4.091 4.218 . 0 0 "[ . 1 . 2 ]" 1
372 1 61 VAL HA 1 63 GLN H 0.000 . 4.000 4.032 3.938 4.055 0.055 9 0 "[ . 1 . 2 ]" 1
373 1 29 PHE HA 1 32 VAL HB 0.000 . 4.000 2.910 2.798 2.957 . 0 0 "[ . 1 . 2 ]" 1
374 1 52 ILE H 1 55 LYS H 0.000 . 4.000 2.889 2.740 3.072 . 0 0 "[ . 1 . 2 ]" 1
375 1 52 ILE H 1 55 LYS QB 0.000 . 5.000 3.775 3.629 4.043 . 0 0 "[ . 1 . 2 ]" 1
376 1 57 VAL HB 1 59 PHE HZ 0.000 . 5.000 4.815 4.186 5.052 0.052 6 0 "[ . 1 . 2 ]" 1
377 1 19 PRO HA 1 21 PRO HD2 0.000 . 4.000 3.707 3.648 3.751 . 0 0 "[ . 1 . 2 ]" 1
378 1 72 GLU QB 1 75 THR H 0.000 . 4.000 2.481 2.289 2.788 . 0 0 "[ . 1 . 2 ]" 1
379 1 43 ARG H 1 46 ASP H 0.000 . 5.000 4.360 4.314 4.409 . 0 0 "[ . 1 . 2 ]" 1
380 1 66 PRO QD 1 69 LEU HG 0.000 . 5.800 5.207 5.195 5.213 . 0 0 "[ . 1 . 2 ]" 1
381 1 38 GLN HA 1 40 LYS H 0.000 . 5.000 3.363 3.304 3.430 . 0 0 "[ . 1 . 2 ]" 1
382 1 57 VAL MG2 1 59 PHE HZ 0.000 . 5.800 2.887 2.548 3.033 . 0 0 "[ . 1 . 2 ]" 1
383 1 25 LEU MD2 1 29 PHE HE1 0.000 . 4.000 3.316 3.191 3.341 . 0 0 "[ . 1 . 2 ]" 1
384 1 19 PRO QB 1 21 PRO QD 0.000 . 4.800 3.192 3.076 3.353 . 0 0 "[ . 1 . 2 ]" 1
385 1 25 LEU HB3 1 29 PHE HB3 0.000 . 5.000 3.008 2.828 3.446 . 0 0 "[ . 1 . 2 ]" 1
386 1 50 ILE MG 1 52 ILE QG 0.000 . 4.300 2.010 1.928 2.403 . 0 0 "[ . 1 . 2 ]" 1
387 1 72 GLU H 1 75 THR HB 0.000 . 4.000 2.100 2.027 2.275 . 0 0 "[ . 1 . 2 ]" 1
388 1 31 ASP HA 1 34 ARG HE 0.000 . 5.000 4.063 3.472 4.419 . 0 0 "[ . 1 . 2 ]" 1
389 1 26 PRO QG 1 29 PHE H 0.000 . 5.800 5.045 4.959 5.134 . 0 0 "[ . 1 . 2 ]" 1
390 1 26 PRO QD 1 29 PHE HD1 0.000 . 5.800 2.232 2.126 2.359 . 0 0 "[ . 1 . 2 ]" 1
391 1 34 ARG QG 1 38 GLN HE22 0.000 . 4.000 4.258 3.598 4.881 0.881 21 8 "[** * * 1 * . *+-]" 1
392 1 25 LEU MD2 1 29 PHE HZ 0.000 . 4.000 3.047 2.870 3.201 . 0 0 "[ . 1 . 2 ]" 1
393 1 72 GLU H 1 75 THR MG 0.000 . 5.800 3.128 2.963 3.295 . 0 0 "[ . 1 . 2 ]" 1
394 1 32 VAL HA 1 35 ILE HB 0.000 . 4.000 2.969 2.905 3.032 . 0 0 "[ . 1 . 2 ]" 1
395 1 25 LEU HB3 1 29 PHE QD 0.000 . 5.800 3.047 2.835 3.201 . 0 0 "[ . 1 . 2 ]" 1
396 1 27 PRO HA 1 30 VAL HB 0.000 . 4.000 4.071 3.937 4.093 0.093 1 0 "[ . 1 . 2 ]" 1
397 1 29 PHE HD2 1 33 ILE HG12 0.000 . 5.000 3.731 3.549 3.812 . 0 0 "[ . 1 . 2 ]" 1
398 1 34 ARG HA 1 37 LEU H 0.000 . 5.000 3.616 3.482 3.775 . 0 0 "[ . 1 . 2 ]" 1
399 1 29 PHE HA 1 32 VAL H 0.000 . 5.000 3.526 3.487 3.600 . 0 0 "[ . 1 . 2 ]" 1
400 1 30 VAL HA 1 33 ILE H 0.000 . 5.000 3.635 3.611 3.649 . 0 0 "[ . 1 . 2 ]" 1
401 1 30 VAL HA 1 33 ILE MG 0.000 . 4.800 4.007 3.998 4.016 . 0 0 "[ . 1 . 2 ]" 1
402 1 65 TYR H 1 69 LEU MD2 0.000 . 4.800 2.145 2.059 2.247 . 0 0 "[ . 1 . 2 ]" 1
403 1 67 SER HA 1 69 LEU H 0.000 . 4.000 3.373 3.267 3.490 . 0 0 "[ . 1 . 2 ]" 1
404 1 11 ILE MG 1 13 SER H 0.000 . 4.800 4.020 3.937 4.076 . 0 0 "[ . 1 . 2 ]" 1
405 1 72 GLU H 1 75 THR H 2.700 2.700 5.000 3.139 2.920 3.276 . 0 0 "[ . 1 . 2 ]" 1
406 1 61 VAL QG 1 64 ALA H 0.000 . 5.800 3.746 3.614 3.890 . 0 0 "[ . 1 . 2 ]" 1
407 1 71 VAL HA 1 75 THR MG 0.000 . 5.800 2.789 2.644 3.018 . 0 0 "[ . 1 . 2 ]" 1
408 1 29 PHE HB2 1 33 ILE HG12 0.000 . 5.000 5.025 4.965 5.052 0.052 19 0 "[ . 1 . 2 ]" 1
409 1 34 ARG HA 1 37 LEU HB3 0.000 . 5.000 4.598 4.252 4.811 . 0 0 "[ . 1 . 2 ]" 1
410 1 15 LEU QD 1 17 LEU QD 0.000 . 6.200 1.963 1.704 3.264 . 0 0 "[ . 1 . 2 ]" 1
411 1 29 PHE HD2 1 33 ILE HG13 0.000 . 4.000 4.008 3.954 4.026 0.026 4 0 "[ . 1 . 2 ]" 1
412 1 71 VAL HA 1 75 THR HB 0.000 . 4.000 3.239 2.950 3.466 . 0 0 "[ . 1 . 2 ]" 1
413 1 52 ILE H 1 56 GLU HA 0.000 . 5.000 3.687 3.424 3.820 . 0 0 "[ . 1 . 2 ]" 1
414 1 35 ILE HA 1 38 GLN QG 0.000 . 4.000 2.662 2.314 3.217 . 0 0 "[ . 1 . 2 ]" 1
415 1 30 VAL HA 1 33 ILE QG 0.000 . 5.800 3.162 3.114 3.190 . 0 0 "[ . 1 . 2 ]" 1
416 1 75 THR HB 1 77 ILE MD 0.000 . 5.800 3.978 3.614 4.241 . 0 0 "[ . 1 . 2 ]" 1
417 1 29 PHE HE2 1 33 ILE MD 0.000 . 5.800 4.688 4.659 4.703 . 0 0 "[ . 1 . 2 ]" 1
418 1 72 GLU HG3 1 74 ARG H 0.000 . 5.000 4.261 3.759 5.064 0.064 8 0 "[ . 1 . 2 ]" 1
419 1 28 ASP HA 1 31 ASP H 0.000 . 5.000 3.851 3.785 3.884 . 0 0 "[ . 1 . 2 ]" 1
420 1 35 ILE HA 1 38 GLN QB 0.000 . 5.000 3.733 3.657 3.883 . 0 0 "[ . 1 . 2 ]" 1
421 1 66 PRO QD 1 69 LEU QD 0.000 . 5.500 2.737 2.673 2.799 . 0 0 "[ . 1 . 2 ]" 1
422 1 73 ASP HA 1 75 THR H 0.000 . 5.000 4.186 4.118 4.292 . 0 0 "[ . 1 . 2 ]" 1
423 1 34 ARG HA 1 37 LEU HB2 0.000 . 5.000 3.050 2.773 3.175 . 0 0 "[ . 1 . 2 ]" 1
424 1 33 ILE MG 1 37 LEU QD 0.000 . 5.500 1.712 1.700 1.735 . 0 0 "[ . 1 . 2 ]" 1
425 1 19 PRO QB 1 23 VAL MG1 0.000 . 4.800 2.523 2.144 2.900 . 0 0 "[ . 1 . 2 ]" 1
426 1 26 PRO HB3 1 28 ASP H 0.000 . 5.000 3.766 3.701 3.874 . 0 0 "[ . 1 . 2 ]" 1
427 1 29 PHE HA 1 31 ASP H 0.000 . 5.000 4.372 4.333 4.644 . 0 0 "[ . 1 . 2 ]" 1
428 1 26 PRO HA 1 28 ASP H 0.000 . 5.000 4.257 4.220 4.305 . 0 0 "[ . 1 . 2 ]" 1
429 1 30 VAL HA 1 33 ILE HB 0.000 . 4.000 2.765 2.753 2.774 . 0 0 "[ . 1 . 2 ]" 1
430 1 52 ILE MG 1 55 LYS H 4.800 4.800 9.800 4.679 4.561 4.817 0.239 20 0 "[ . 1 . 2 ]" 1
431 1 32 VAL HA 1 35 ILE H 0.000 . 5.000 3.550 3.449 3.613 . 0 0 "[ . 1 . 2 ]" 1
432 1 35 ILE HA 1 38 GLN H 0.000 . 5.000 3.969 3.908 4.038 . 0 0 "[ . 1 . 2 ]" 1
433 1 29 PHE HA 1 33 ILE H 0.000 . 5.000 4.110 4.065 4.131 . 0 0 "[ . 1 . 2 ]" 1
434 1 44 THR HA 1 46 ASP H 0.000 . 5.000 3.614 3.567 3.703 . 0 0 "[ . 1 . 2 ]" 1
435 1 25 LEU HB3 1 29 PHE H 4.000 4.000 9.000 4.182 4.015 4.266 . 0 0 "[ . 1 . 2 ]" 1
436 1 66 PRO QD 1 69 LEU HB2 0.000 . 5.800 3.687 3.623 3.757 . 0 0 "[ . 1 . 2 ]" 1
437 1 71 VAL MG1 1 75 THR H 0.000 . 5.800 4.759 4.614 4.836 . 0 0 "[ . 1 . 2 ]" 1
438 1 30 VAL QG 1 34 ARG H 0.000 . 6.500 4.065 3.999 4.171 . 0 0 "[ . 1 . 2 ]" 1
439 1 26 PRO HB2 1 28 ASP H 0.000 . 4.000 2.640 2.579 2.709 . 0 0 "[ . 1 . 2 ]" 1
440 1 72 GLU QB 1 74 ARG H 0.000 . 4.800 2.666 2.292 2.994 . 0 0 "[ . 1 . 2 ]" 1
441 1 27 PRO HA 1 29 PHE H 0.000 . 4.000 4.061 4.047 4.102 0.102 19 0 "[ . 1 . 2 ]" 1
442 1 26 PRO HB2 1 29 PHE H 3.200 3.200 8.200 3.656 3.516 3.788 . 0 0 "[ . 1 . 2 ]" 1
443 1 43 ARG H 1 46 ASP HB2 0.000 . 4.000 3.418 3.313 3.535 . 0 0 "[ . 1 . 2 ]" 1
444 1 53 LEU QB 1 55 LYS H 0.000 . 5.000 3.792 3.732 3.849 . 0 0 "[ . 1 . 2 ]" 1
445 1 64 ALA MB 1 67 SER HB3 0.000 . 4.000 3.296 3.051 3.353 . 0 0 "[ . 1 . 2 ]" 1
446 1 29 PHE HB3 1 33 ILE HG12 0.000 . 5.000 3.459 3.381 3.530 . 0 0 "[ . 1 . 2 ]" 1
447 1 66 PRO QD 1 69 LEU HB3 0.000 . 4.800 3.138 3.099 3.196 . 0 0 "[ . 1 . 2 ]" 1
448 1 53 LEU HA 1 55 LYS H 4.000 4.000 9.000 4.654 4.623 4.679 . 0 0 "[ . 1 . 2 ]" 1
449 1 30 VAL HA 1 33 ILE MD 0.000 . 5.800 4.818 4.778 4.841 . 0 0 "[ . 1 . 2 ]" 1
450 1 64 ALA MB 1 67 SER HB2 0.000 . 4.800 3.926 3.845 4.002 . 0 0 "[ . 1 . 2 ]" 1
451 1 33 ILE HA 1 36 LYS QB 0.000 . 4.000 2.897 2.731 3.796 . 0 0 "[ . 1 . 2 ]" 1
452 1 31 ASP HA 1 34 ARG H 0.000 . 5.000 3.664 3.629 3.709 . 0 0 "[ . 1 . 2 ]" 1
453 1 33 ILE HA 1 36 LYS H 0.000 . 5.000 3.604 3.513 3.708 . 0 0 "[ . 1 . 2 ]" 1
454 1 19 PRO QG 1 23 VAL H 0.000 . 5.800 3.394 3.067 3.856 . 0 0 "[ . 1 . 2 ]" 1
455 1 43 ARG H 1 46 ASP HB3 0.000 . 5.000 4.334 4.227 4.444 . 0 0 "[ . 1 . 2 ]" 1
456 1 29 PHE HD2 1 33 ILE MD 0.000 . 4.000 3.329 3.283 3.345 . 0 0 "[ . 1 . 2 ]" 1
457 1 72 GLU HG2 1 74 ARG H 0.000 . 5.000 3.264 2.048 5.064 0.064 21 0 "[ . 1 . 2 ]" 1
458 1 57 VAL MG2 1 59 PHE HD1 0.000 . 4.000 4.154 3.361 4.503 0.503 6 1 "[ .+ 1 . 2 ]" 1
459 1 64 ALA H 1 67 SER HB3 0.000 . 5.000 4.956 4.867 5.014 0.014 6 0 "[ . 1 . 2 ]" 1
460 1 35 ILE HA 1 38 GLN QE 4.000 4.000 9.000 2.096 2.022 2.253 1.978 4 22 [***+*************-****] 1
461 1 32 VAL HA 1 36 LYS H 0.000 . 5.000 4.357 4.266 4.446 . 0 0 "[ . 1 . 2 ]" 1
462 1 13 SER HB3 1 69 LEU QD 0.000 . 5.500 3.834 3.607 4.083 . 0 0 "[ . 1 . 2 ]" 1
463 1 38 GLN HB3 1 73 ASP H 4.000 4.000 9.000 4.572 4.350 4.936 . 0 0 "[ . 1 . 2 ]" 1
464 1 13 SER HA 1 66 PRO QD 0.000 . 4.000 3.040 2.880 3.251 . 0 0 "[ . 1 . 2 ]" 1
465 1 40 LYS H 1 71 VAL H 0.000 . 5.000 4.011 3.887 4.061 . 0 0 "[ . 1 . 2 ]" 1
466 1 20 LEU QD 1 60 LYS HB3 0.000 . 4.700 3.318 3.184 3.488 . 0 0 "[ . 1 . 2 ]" 1
467 1 17 LEU HA 1 62 VAL H 0.000 . 4.000 2.507 2.398 2.651 . 0 0 "[ . 1 . 2 ]" 1
468 1 17 LEU HB2 1 59 PHE QD 0.000 . 5.800 4.764 4.408 5.206 . 0 0 "[ . 1 . 2 ]" 1
469 1 39 GLY HA2 1 70 ARG QG 0.000 . 4.800 4.028 3.972 4.060 . 0 0 "[ . 1 . 2 ]" 1
470 1 17 LEU HA 1 63 GLN H 0.000 . 5.000 4.457 4.350 4.562 . 0 0 "[ . 1 . 2 ]" 1
471 1 46 ASP HB3 1 61 VAL QG 0.000 . 5.800 3.190 3.048 3.285 . 0 0 "[ . 1 . 2 ]" 1
472 1 30 VAL QG 1 77 ILE HB 0.000 . 4.200 2.500 2.174 2.660 . 0 0 "[ . 1 . 2 ]" 1
473 1 34 ARG HA 1 77 ILE MD 0.000 . 5.800 2.712 2.479 3.018 . 0 0 "[ . 1 . 2 ]" 1
474 1 48 ILE HG13 1 59 PHE H 4.000 4.000 9.000 3.978 3.965 3.992 0.035 14 0 "[ . 1 . 2 ]" 1
475 1 48 ILE HG12 1 59 PHE H 4.000 4.000 9.000 5.566 5.534 5.597 . 0 0 "[ . 1 . 2 ]" 1
476 1 25 LEU MD1 1 59 PHE HE2 0.000 . 5.800 4.337 3.756 4.751 . 0 0 "[ . 1 . 2 ]" 1
477 1 13 SER HB2 1 69 LEU QD 0.000 . 4.700 2.784 2.482 3.118 . 0 0 "[ . 1 . 2 ]" 1
478 1 38 GLN HE21 1 73 ASP H 4.000 4.000 9.000 4.515 4.186 4.837 . 0 0 "[ . 1 . 2 ]" 1
479 1 39 GLY H 1 71 VAL MG1 0.000 . 5.000 4.178 4.168 4.190 . 0 0 "[ . 1 . 2 ]" 1
480 1 42 VAL H 1 69 LEU QD 0.000 . 4.700 3.359 3.260 3.456 . 0 0 "[ . 1 . 2 ]" 1
481 1 14 GLU H 1 65 TYR QD 0.000 . 5.800 5.058 4.847 5.175 . 0 0 "[ . 1 . 2 ]" 1
482 1 14 GLU HA 1 76 LYS H 0.000 . 3.200 2.886 2.780 3.004 . 0 0 "[ . 1 . 2 ]" 1
483 1 41 THR MG 1 68 PRO HB2 0.000 . 3.500 2.222 2.080 2.359 . 0 0 "[ . 1 . 2 ]" 1
484 1 39 GLY HA2 1 70 ARG HB3 4.000 4.000 9.000 3.994 3.980 4.067 0.020 15 0 "[ . 1 . 2 ]" 1
485 1 39 GLY H 1 71 VAL HB 0.000 . 4.000 3.309 3.233 3.366 . 0 0 "[ . 1 . 2 ]" 1
486 1 13 SER HB3 1 66 PRO QD 0.000 . 5.800 3.169 3.020 3.355 . 0 0 "[ . 1 . 2 ]" 1
487 1 50 ILE QG 1 57 VAL H 0.000 . 6.500 5.637 5.585 5.766 . 0 0 "[ . 1 . 2 ]" 1
488 1 44 THR MG 1 63 GLN HA 0.000 . 3.200 2.104 1.989 2.215 . 0 0 "[ . 1 . 2 ]" 1
489 1 51 SER HA 1 56 GLU HB2 4.000 4.000 9.000 4.686 4.212 4.900 . 0 0 "[ . 1 . 2 ]" 1
490 1 14 GLU QB 1 65 TYR HB3 0.000 . 4.000 3.517 3.411 3.579 . 0 0 "[ . 1 . 2 ]" 1
491 1 14 GLU H 1 69 LEU QD 0.000 . 5.000 2.919 2.772 3.061 . 0 0 "[ . 1 . 2 ]" 1
492 1 46 ASP H 1 61 VAL H 0.000 . 5.000 4.309 4.235 4.437 . 0 0 "[ . 1 . 2 ]" 1
493 1 17 LEU HB3 1 61 VAL HA 4.000 4.000 9.000 4.369 4.206 4.434 . 0 0 "[ . 1 . 2 ]" 1
494 1 34 ARG H 1 77 ILE MD 0.000 . 5.800 3.734 3.573 4.034 . 0 0 "[ . 1 . 2 ]" 1
495 1 17 LEU HB2 1 62 VAL H 4.000 4.000 9.000 5.460 5.337 5.621 . 0 0 "[ . 1 . 2 ]" 1
496 1 13 SER HB2 1 66 PRO QD 0.000 . 5.800 3.319 2.865 3.789 . 0 0 "[ . 1 . 2 ]" 1
497 1 39 GLY QA 1 71 VAL H 0.000 . 5.800 4.684 4.628 4.732 . 0 0 "[ . 1 . 2 ]" 1
498 1 17 LEU HB3 1 59 PHE QB 0.000 . 5.000 3.608 3.074 3.969 . 0 0 "[ . 1 . 2 ]" 1
499 1 17 LEU HA 1 61 VAL HA 0.000 . 3.200 2.843 2.712 2.995 . 0 0 "[ . 1 . 2 ]" 1
500 1 29 PHE HB2 1 79 LEU MD1 0.000 . 4.800 3.945 3.445 4.018 . 0 0 "[ . 1 . 2 ]" 1
501 1 45 GLY HA2 1 60 LYS QE 0.000 . 4.000 2.941 2.875 3.091 . 0 0 "[ . 1 . 2 ]" 1
502 1 44 THR HA 1 64 ALA H 0.000 . 5.000 3.629 3.486 3.791 . 0 0 "[ . 1 . 2 ]" 1
503 1 14 GLU H 1 75 THR MG 0.000 . 5.800 3.290 3.156 3.464 . 0 0 "[ . 1 . 2 ]" 1
504 1 46 ASP H 1 61 VAL QG 0.000 . 4.800 3.252 3.066 3.316 . 0 0 "[ . 1 . 2 ]" 1
505 1 41 THR MG 1 68 PRO HB3 0.000 . 4.000 3.188 3.030 3.327 . 0 0 "[ . 1 . 2 ]" 1
506 1 13 SER HB2 1 75 THR MG 0.000 . 4.000 2.510 2.124 3.034 . 0 0 "[ . 1 . 2 ]" 1
507 1 41 THR HA 1 70 ARG HA 0.000 . 2.700 2.054 2.042 2.160 . 0 0 "[ . 1 . 2 ]" 1
508 1 14 GLU HA 1 76 LYS QB 0.000 . 4.000 3.192 3.041 3.364 . 0 0 "[ . 1 . 2 ]" 1
509 1 16 LYS HA 1 78 THR H 0.000 . 4.000 3.003 2.812 3.348 . 0 0 "[ . 1 . 2 ]" 1
510 1 19 PRO QB 1 59 PHE QE 0.000 . 5.600 2.608 2.036 3.292 . 0 0 "[ . 1 . 2 ]" 1
511 1 21 PRO QG 1 57 VAL MG2 0.000 . 4.800 2.313 2.073 2.544 . 0 0 "[ . 1 . 2 ]" 1
512 1 51 SER QB 1 56 GLU QG 0.000 . 5.800 4.510 4.014 4.625 . 0 0 "[ . 1 . 2 ]" 1
513 1 39 GLY H 1 72 GLU HA 0.000 . 5.000 3.869 3.808 3.969 . 0 0 "[ . 1 . 2 ]" 1
514 1 17 LEU MD1 1 59 PHE QD 0.000 . 5.800 4.314 4.306 4.329 . 0 0 "[ . 1 . 2 ]" 1
515 1 47 VAL MG1 1 59 PHE H 0.000 . 5.000 3.848 3.677 4.002 . 0 0 "[ . 1 . 2 ]" 1
516 1 50 ILE HB 1 59 PHE QD 0.000 . 5.800 3.011 2.730 3.402 . 0 0 "[ . 1 . 2 ]" 1
517 1 50 ILE H 1 57 VAL H 0.000 . 4.000 3.411 3.307 3.565 . 0 0 "[ . 1 . 2 ]" 1
518 1 18 LYS HA 1 80 VAL HB 0.000 . 5.000 3.244 2.907 3.645 . 0 0 "[ . 1 . 2 ]" 1
519 1 21 PRO HD3 1 57 VAL HA 0.000 . 4.000 3.945 3.810 4.016 0.016 18 0 "[ . 1 . 2 ]" 1
520 1 34 ARG QG 1 73 ASP HA 0.000 . 4.800 3.249 2.791 3.766 . 0 0 "[ . 1 . 2 ]" 1
521 1 50 ILE MD 1 59 PHE QD 0.000 . 5.800 2.167 1.950 2.264 . 0 0 "[ . 1 . 2 ]" 1
522 1 44 THR HB 1 64 ALA H 0.000 . 5.000 4.126 3.891 4.867 . 0 0 "[ . 1 . 2 ]" 1
523 1 15 LEU HA 1 65 TYR H 0.000 . 4.000 3.408 3.304 3.636 . 0 0 "[ . 1 . 2 ]" 1
524 1 40 LYS H 1 71 VAL HB 0.000 . 4.000 3.794 3.549 3.890 . 0 0 "[ . 1 . 2 ]" 1
525 1 50 ILE HB 1 59 PHE HZ 0.000 . 5.000 4.902 4.490 5.041 0.041 19 0 "[ . 1 . 2 ]" 1
526 1 50 ILE HB 1 57 VAL H 0.000 . 5.000 4.322 4.262 4.450 . 0 0 "[ . 1 . 2 ]" 1
527 1 29 PHE HE2 1 52 ILE MD 0.000 . 4.000 2.885 2.513 3.348 . 0 0 "[ . 1 . 2 ]" 1
528 1 34 ARG HA 1 71 VAL MG1 0.000 . 5.800 3.094 2.923 3.227 . 0 0 "[ . 1 . 2 ]" 1
529 1 14 GLU QB 1 65 TYR H 0.000 . 5.800 4.215 4.043 4.388 . 0 0 "[ . 1 . 2 ]" 1
530 1 21 PRO HD2 1 58 LYS H 0.000 . 5.000 3.191 2.931 3.408 . 0 0 "[ . 1 . 2 ]" 1
531 1 44 THR MG 1 64 ALA H 0.000 . 4.000 3.316 3.197 3.354 . 0 0 "[ . 1 . 2 ]" 1
532 1 42 VAL MG2 1 69 LEU H 0.000 . 5.800 2.998 2.772 3.188 . 0 0 "[ . 1 . 2 ]" 1
533 1 49 GLY HA2 1 58 LYS HA 0.000 . 2.700 2.486 2.340 2.578 . 0 0 "[ . 1 . 2 ]" 1
534 1 18 LYS H 1 61 VAL HA 0.000 . 5.000 3.999 3.858 4.170 . 0 0 "[ . 1 . 2 ]" 1
535 1 14 GLU H 1 65 TYR HB2 0.000 . 4.000 3.267 3.045 3.401 . 0 0 "[ . 1 . 2 ]" 1
536 1 44 THR H 1 61 VAL QG 0.000 . 5.800 3.793 3.647 4.073 . 0 0 "[ . 1 . 2 ]" 1
537 1 44 THR HA 1 64 ALA MB 0.000 . 5.800 3.688 3.424 3.861 . 0 0 "[ . 1 . 2 ]" 1
538 1 16 LYS QD 1 63 GLN H 0.000 . 5.800 5.043 4.778 5.231 . 0 0 "[ . 1 . 2 ]" 1
539 1 48 ILE MD 1 59 PHE H 4.000 4.000 9.000 3.306 3.284 3.328 0.716 6 22 [*****+************-***] 1
540 1 16 LYS HB2 1 63 GLN H 0.000 . 3.200 3.058 2.663 3.206 0.006 3 0 "[ . 1 . 2 ]" 1
541 1 43 ARG QG 1 68 PRO HB3 0.000 . 4.000 2.482 1.961 3.143 . 0 0 "[ . 1 . 2 ]" 1
542 1 19 PRO HA 1 59 PHE HA 0.000 . 3.200 2.751 2.612 2.982 . 0 0 "[ . 1 . 2 ]" 1
543 1 18 LYS H 1 62 VAL MG2 0.000 . 5.000 2.410 2.190 2.571 . 0 0 "[ . 1 . 2 ]" 1
544 1 38 GLN HA 1 71 VAL MG1 0.000 . 4.000 2.519 2.431 2.581 . 0 0 "[ . 1 . 2 ]" 1
545 1 45 GLY HA3 1 60 LYS QE 0.000 . 5.000 4.473 4.460 4.495 . 0 0 "[ . 1 . 2 ]" 1
546 1 17 LEU HB2 1 61 VAL HA 4.000 4.000 9.000 5.367 5.288 5.453 . 0 0 "[ . 1 . 2 ]" 1
547 1 38 GLN HA 1 71 VAL HB 0.000 . 3.200 2.042 2.036 2.060 . 0 0 "[ . 1 . 2 ]" 1
548 1 34 ARG HE 1 73 ASP HA 0.000 . 5.000 2.977 2.350 3.767 . 0 0 "[ . 1 . 2 ]" 1
549 1 42 VAL H 1 69 LEU HG 0.000 . 5.000 3.686 3.592 3.786 . 0 0 "[ . 1 . 2 ]" 1
550 1 25 LEU MD1 1 59 PHE HZ 0.000 . 5.800 2.497 2.193 3.124 . 0 0 "[ . 1 . 2 ]" 1
551 1 16 LYS HB3 1 78 THR HB 0.000 . 5.000 4.811 4.484 5.014 0.014 13 0 "[ . 1 . 2 ]" 1
552 1 17 LEU HB2 1 79 LEU HA 0.000 . 5.000 3.407 3.091 3.605 . 0 0 "[ . 1 . 2 ]" 1
553 1 18 LYS H 1 59 PHE QB 0.000 . 5.000 4.562 4.409 4.766 . 0 0 "[ . 1 . 2 ]" 1
554 1 42 VAL H 1 70 ARG HA 0.000 . 4.000 3.536 3.470 3.604 . 0 0 "[ . 1 . 2 ]" 1
555 1 15 LEU HA 1 63 GLN H 0.000 . 5.000 5.035 5.004 5.070 0.070 11 0 "[ . 1 . 2 ]" 1
556 1 18 LYS H 1 62 VAL H 0.000 . 5.000 3.771 3.713 3.827 . 0 0 "[ . 1 . 2 ]" 1
557 1 44 THR MG 1 63 GLN H 0.000 . 5.800 3.686 3.556 4.148 . 0 0 "[ . 1 . 2 ]" 1
558 1 14 GLU QB 1 65 TYR HB2 0.000 . 4.000 2.829 2.628 2.948 . 0 0 "[ . 1 . 2 ]" 1
559 1 41 THR HA 1 70 ARG QG 0.000 . 5.800 2.737 2.642 2.892 . 0 0 "[ . 1 . 2 ]" 1
560 1 18 LYS HB3 1 62 VAL MG2 0.000 . 4.000 2.560 2.478 2.674 . 0 0 "[ . 1 . 2 ]" 1
561 1 14 GLU H 1 65 TYR H 0.000 . 4.000 3.501 3.263 3.622 . 0 0 "[ . 1 . 2 ]" 1
562 1 38 GLN H 1 71 VAL MG1 0.000 . 5.000 3.502 3.308 3.651 . 0 0 "[ . 1 . 2 ]" 1
563 1 50 ILE MD 1 59 PHE HZ 0.000 . 5.800 4.133 3.994 4.313 . 0 0 "[ . 1 . 2 ]" 1
564 1 49 GLY HA3 1 58 LYS HA 0.000 . 5.000 3.809 3.602 3.947 . 0 0 "[ . 1 . 2 ]" 1
565 1 39 GLY H 1 71 VAL H 3.200 3.200 5.000 3.409 3.364 3.476 . 0 0 "[ . 1 . 2 ]" 1
566 1 50 ILE H 1 58 LYS HA 0.000 . 4.000 3.654 3.505 3.777 . 0 0 "[ . 1 . 2 ]" 1
567 1 48 ILE MD 1 59 PHE QB 0.000 . 5.800 2.150 2.072 2.233 . 0 0 "[ . 1 . 2 ]" 1
568 1 44 THR H 1 64 ALA MB 0.000 . 4.000 2.632 2.356 3.185 . 0 0 "[ . 1 . 2 ]" 1
569 1 17 LEU HB3 1 60 LYS H 0.000 . 5.000 4.838 4.400 5.010 0.010 21 0 "[ . 1 . 2 ]" 1
570 1 29 PHE HB3 1 79 LEU MD1 0.000 . 4.800 3.896 3.528 4.004 . 0 0 "[ . 1 . 2 ]" 1
571 1 44 THR HA 1 61 VAL HB 0.000 . 4.000 3.149 2.973 3.460 . 0 0 "[ . 1 . 2 ]" 1
572 1 17 LEU HA 1 62 VAL MG2 0.000 . 4.000 2.527 2.272 2.720 . 0 0 "[ . 1 . 2 ]" 1
573 1 16 LYS HA 1 78 THR HB 0.000 . 3.200 3.195 3.002 3.222 0.022 6 0 "[ . 1 . 2 ]" 1
574 1 44 THR H 1 67 SER QB 0.000 . 4.000 3.550 3.435 3.582 . 0 0 "[ . 1 . 2 ]" 1
575 1 19 PRO QD 1 59 PHE QD 0.000 . 5.800 4.043 3.703 4.606 . 0 0 "[ . 1 . 2 ]" 1
576 1 29 PHE HE2 1 53 LEU QD 0.000 . 4.800 3.456 2.896 3.578 . 0 0 "[ . 1 . 2 ]" 1
577 1 18 LYS QB 1 60 LYS H 0.000 . 5.000 3.910 3.779 4.073 . 0 0 "[ . 1 . 2 ]" 1
578 1 51 SER HA 1 56 GLU HA 0.000 . 3.200 2.696 2.297 2.890 . 0 0 "[ . 1 . 2 ]" 1
579 1 45 GLY H 1 61 VAL HB 0.000 . 3.200 2.585 2.446 2.679 . 0 0 "[ . 1 . 2 ]" 1
580 1 16 LYS QG 1 78 THR HB 0.000 . 4.000 2.689 2.151 3.570 . 0 0 "[ . 1 . 2 ]" 1
581 1 17 LEU QD 1 59 PHE QB 0.000 . 4.700 2.993 2.537 3.274 . 0 0 "[ . 1 . 2 ]" 1
582 1 18 LYS HA 1 80 VAL H 0.000 . 5.000 3.117 2.936 3.309 . 0 0 "[ . 1 . 2 ]" 1
583 1 14 GLU H 1 65 TYR HB3 0.000 . 5.000 3.696 3.535 3.896 . 0 0 "[ . 1 . 2 ]" 1
584 1 15 LEU H 1 77 ILE MG 0.000 . 5.000 4.012 3.917 4.182 . 0 0 "[ . 1 . 2 ]" 1
585 1 38 GLN HB3 1 72 GLU HA 4.000 4.000 9.000 3.584 3.436 3.784 0.564 22 4 "[* . 1 . -*+]" 1
586 1 16 LYS HB3 1 63 GLN H 0.000 . 5.000 3.770 3.432 3.990 . 0 0 "[ . 1 . 2 ]" 1
587 1 38 GLN HE22 1 73 ASP H 4.000 4.000 9.000 4.227 3.984 4.642 0.016 4 0 "[ . 1 . 2 ]" 1
588 1 48 ILE H 1 60 LYS HA 0.000 . 4.000 3.841 3.776 4.011 0.011 7 0 "[ . 1 . 2 ]" 1
589 1 49 GLY HA2 1 57 VAL H 0.000 . 5.500 4.914 4.770 5.088 . 0 0 "[ . 1 . 2 ]" 1
590 1 45 GLY HA3 1 61 VAL HB 0.000 . 5.000 4.980 4.836 5.017 0.017 8 0 "[ . 1 . 2 ]" 1
591 1 47 VAL HA 1 59 PHE H 0.000 . 5.000 5.024 5.005 5.056 0.056 5 0 "[ . 1 . 2 ]" 1
592 1 16 LYS H 1 64 ALA HA 0.000 . 4.000 3.680 3.552 3.779 . 0 0 "[ . 1 . 2 ]" 1
593 1 33 ILE HA 1 50 ILE MD 0.000 . 5.800 4.371 3.814 4.832 . 0 0 "[ . 1 . 2 ]" 1
594 1 20 LEU MD2 1 60 LYS H 0.000 . 5.000 4.156 4.050 4.173 . 0 0 "[ . 1 . 2 ]" 1
595 1 15 LEU H 1 75 THR MG 0.000 . 4.800 3.260 3.070 3.460 . 0 0 "[ . 1 . 2 ]" 1
596 1 13 SER H 1 66 PRO QD 0.000 . 5.800 5.171 5.091 5.204 . 0 0 "[ . 1 . 2 ]" 1
597 1 17 LEU HB3 1 59 PHE QD 0.000 . 4.800 3.543 3.170 4.242 . 0 0 "[ . 1 . 2 ]" 1
598 1 41 THR HA 1 71 VAL H 0.000 . 3.500 3.503 3.402 3.523 0.023 8 0 "[ . 1 . 2 ]" 1
599 1 42 VAL QG 1 65 TYR H 0.000 . 5.500 4.800 4.787 4.821 . 0 0 "[ . 1 . 2 ]" 1
600 1 41 THR MG 1 69 LEU H 0.000 . 5.800 3.033 2.904 3.213 . 0 0 "[ . 1 . 2 ]" 1
601 1 42 VAL H 1 69 LEU H 0.000 . 4.000 2.978 2.876 3.094 . 0 0 "[ . 1 . 2 ]" 1
602 1 50 ILE HG13 1 59 PHE QD 0.000 . 5.800 3.014 2.896 3.167 . 0 0 "[ . 1 . 2 ]" 1
603 1 48 ILE H 1 59 PHE QB 0.000 . 5.000 3.659 3.575 3.730 . 0 0 "[ . 1 . 2 ]" 1
604 1 34 ARG HA 1 77 ILE MG 0.000 . 5.800 4.768 4.657 4.846 . 0 0 "[ . 1 . 2 ]" 1
605 1 29 PHE HD2 1 52 ILE MD 0.000 . 4.800 3.121 2.581 3.846 . 0 0 "[ . 1 . 2 ]" 1
606 1 14 GLU HA 1 75 THR MG 0.000 . 4.800 2.527 2.171 2.733 . 0 0 "[ . 1 . 2 ]" 1
607 1 15 LEU H 1 77 ILE MD 0.000 . 5.800 4.873 4.835 4.886 . 0 0 "[ . 1 . 2 ]" 1
608 1 20 LEU H 1 59 PHE HA 0.000 . 4.000 3.272 3.140 3.389 . 0 0 "[ . 1 . 2 ]" 1
609 1 20 LEU MD1 1 58 LYS HB3 0.000 . 4.300 1.983 1.883 2.168 . 0 0 "[ . 1 . 2 ]" 1
610 1 38 GLN QG 1 72 GLU HA 0.000 . 5.800 4.774 4.607 4.963 . 0 0 "[ . 1 . 2 ]" 1
611 1 15 LEU H 1 76 LYS H 0.000 . 5.000 4.564 4.466 4.646 . 0 0 "[ . 1 . 2 ]" 1
612 1 51 SER HA 1 56 GLU QG 4.000 4.000 9.000 4.127 3.772 4.432 0.228 14 0 "[ . 1 . 2 ]" 1
613 1 20 LEU HG 1 59 PHE HA 0.000 . 5.000 3.603 3.486 3.682 . 0 0 "[ . 1 . 2 ]" 1
614 1 45 GLY H 1 61 VAL QG 0.000 . 4.800 3.074 2.956 3.147 . 0 0 "[ . 1 . 2 ]" 1
615 1 40 LYS H 1 71 VAL MG2 0.000 . 5.000 4.510 4.169 4.644 . 0 0 "[ . 1 . 2 ]" 1
616 1 16 LYS H 1 63 GLN H 0.000 . 4.000 3.343 3.267 3.387 . 0 0 "[ . 1 . 2 ]" 1
617 1 13 SER H 1 76 LYS QE 0.000 . 5.800 5.161 4.954 5.185 . 0 0 "[ . 1 . 2 ]" 1
618 1 20 LEU QD 1 60 LYS HB2 0.000 . 4.700 2.410 2.137 2.594 . 0 0 "[ . 1 . 2 ]" 1
619 1 49 GLY HA2 1 59 PHE H 0.000 . 4.000 3.197 3.138 3.244 . 0 0 "[ . 1 . 2 ]" 1
620 1 21 PRO QD 1 57 VAL MG2 0.000 . 4.800 2.612 2.395 2.764 . 0 0 "[ . 1 . 2 ]" 1
621 1 42 VAL HB 1 61 VAL QG 4.000 4.000 9.000 2.770 2.631 2.900 1.369 9 22 [********+**********-**] 1
622 1 19 PRO QD 1 79 LEU QD 0.000 . 6.300 2.968 2.468 3.377 . 0 0 "[ . 1 . 2 ]" 1
623 1 19 PRO QB 1 59 PHE QD 0.000 . 5.800 3.434 2.823 3.941 . 0 0 "[ . 1 . 2 ]" 1
624 1 16 LYS QG 1 63 GLN H 0.000 . 5.800 4.944 4.487 5.125 . 0 0 "[ . 1 . 2 ]" 1
625 1 38 GLN HA 1 72 GLU HA 0.000 . 5.000 3.988 3.829 4.112 . 0 0 "[ . 1 . 2 ]" 1
626 1 46 ASP H 1 61 VAL HB 0.000 . 3.200 2.799 2.634 2.861 . 0 0 "[ . 1 . 2 ]" 1
627 1 38 GLN QG 1 71 VAL MG1 0.000 . 6.600 4.319 4.198 4.466 . 0 0 "[ . 1 . 2 ]" 1
628 1 15 LEU QB 1 78 THR H 0.000 . 5.800 4.250 3.942 4.450 . 0 0 "[ . 1 . 2 ]" 1
629 1 48 ILE MD 1 59 PHE HA 0.000 . 5.800 4.850 4.829 4.869 . 0 0 "[ . 1 . 2 ]" 1
630 1 50 ILE MG 1 57 VAL H 0.000 . 5.800 4.848 4.837 4.871 . 0 0 "[ . 1 . 2 ]" 1
631 1 45 GLY H 1 61 VAL H 0.000 . 5.000 4.002 3.872 4.123 . 0 0 "[ . 1 . 2 ]" 1
632 1 34 ARG QD 1 73 ASP HA 0.000 . 4.800 2.671 2.272 3.146 . 0 0 "[ . 1 . 2 ]" 1
633 1 51 SER HA 1 57 VAL H 0.000 . 5.000 3.552 3.317 3.687 . 0 0 "[ . 1 . 2 ]" 1
634 1 50 ILE MD 1 59 PHE QB 4.000 4.000 9.000 3.282 3.175 3.609 0.825 21 18 "[** *.*-****** *** **+*]" 1
635 1 39 GLY HA3 1 70 ARG QG 0.000 . 5.800 5.220 5.208 5.237 . 0 0 "[ . 1 . 2 ]" 1
636 1 15 LEU H 1 77 ILE HA 0.000 . 3.200 2.647 2.574 2.768 . 0 0 "[ . 1 . 2 ]" 1
637 1 18 LYS HB2 1 80 VAL HB 0.000 . 3.200 3.081 2.804 3.215 0.015 6 0 "[ . 1 . 2 ]" 1
638 1 44 THR HA 1 63 GLN HA 0.000 . 4.000 3.480 3.236 3.742 . 0 0 "[ . 1 . 2 ]" 1
639 1 20 LEU MD1 1 58 LYS HB2 0.000 . 4.000 2.334 2.023 2.690 . 0 0 "[ . 1 . 2 ]" 1
640 1 50 ILE HG12 1 59 PHE QD 0.000 . 5.800 4.353 4.204 4.440 . 0 0 "[ . 1 . 2 ]" 1
641 1 30 VAL HA 1 77 ILE MD 0.000 . 5.800 4.823 4.688 4.848 . 0 0 "[ . 1 . 2 ]" 1
642 1 18 LYS HB2 1 62 VAL MG2 0.000 . 3.500 1.924 1.904 1.948 . 0 0 "[ . 1 . 2 ]" 1
643 1 19 PRO HA 1 60 LYS H 0.000 . 5.000 3.781 3.659 3.910 . 0 0 "[ . 1 . 2 ]" 1
644 1 17 LEU H 1 79 LEU HA 0.000 . 3.500 3.364 3.228 3.529 0.029 13 0 "[ . 1 . 2 ]" 1
645 1 20 LEU H 1 60 LYS H 4.000 4.000 9.000 4.154 4.033 4.271 . 0 0 "[ . 1 . 2 ]" 1
646 1 38 GLN HE21 1 71 VAL MG1 0.000 . 4.800 4.648 4.089 5.144 0.344 20 0 "[ . 1 . 2 ]" 1
647 1 50 ILE H 1 56 GLU QG 0.000 . 5.000 4.272 3.998 4.417 . 0 0 "[ . 1 . 2 ]" 1
648 1 21 PRO HD3 1 58 LYS H 0.000 . 4.000 2.866 2.592 3.143 . 0 0 "[ . 1 . 2 ]" 1
649 1 19 PRO HA 1 59 PHE QD 0.000 . 4.000 2.681 2.047 3.030 . 0 0 "[ . 1 . 2 ]" 1
650 1 52 ILE H 1 57 VAL MG1 0.000 . 4.800 3.520 3.031 3.770 . 0 0 "[ . 1 . 2 ]" 1
651 1 46 ASP HB2 1 61 VAL QG 0.000 . 4.800 2.179 1.992 2.298 . 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 33
_Distance_constraint_stats_list.Viol_count 43
_Distance_constraint_stats_list.Viol_total 797.773
_Distance_constraint_stats_list.Viol_max 1.668
_Distance_constraint_stats_list.Viol_rms 0.2814
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0499
_Distance_constraint_stats_list.Viol_average_violations_only 0.8433
_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 13 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 14 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 15 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 16 LYS 0.039 0.026 20 0 "[ . 1 . 2 ]"
1 17 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 18 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 28 ASP 0.144 0.016 22 0 "[ . 1 . 2 ]"
1 29 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 30 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 31 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 32 VAL 0.144 0.016 22 0 "[ . 1 . 2 ]"
1 33 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 34 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 35 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 36 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 37 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 38 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 40 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 42 VAL 0.001 0.001 13 0 "[ . 1 . 2 ]"
1 43 ARG 36.079 1.668 14 22 [*************+*******-]
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 46 ASP 36.079 1.668 14 22 [*************+*******-]
1 48 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 50 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 52 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 55 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 57 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 58 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 59 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 60 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 61 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 62 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 63 GLN 0.039 0.026 20 0 "[ . 1 . 2 ]"
1 65 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 69 LEU 0.001 0.001 13 0 "[ . 1 . 2 ]"
1 71 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 76 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 78 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 80 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 17 LEU O 1 80 VAL H 2.200 . 2.600 2.158 2.092 2.216 . 0 0 "[ . 1 . 2 ]" 2
2 1 17 LEU H 1 78 THR O 2.200 . 2.600 2.280 2.241 2.327 . 0 0 "[ . 1 . 2 ]" 2
3 1 15 LEU O 1 78 THR H 2.200 . 2.600 2.294 2.214 2.353 . 0 0 "[ . 1 . 2 ]" 2
4 1 15 LEU H 1 76 LYS O 2.200 . 2.600 2.129 2.015 2.263 . 0 0 "[ . 1 . 2 ]" 2
5 1 13 SER O 1 76 LYS H 2.200 . 2.600 2.275 2.236 2.366 . 0 0 "[ . 1 . 2 ]" 2
6 1 14 GLU H 1 65 TYR O 2.200 . 2.600 2.120 2.052 2.184 . 0 0 "[ . 1 . 2 ]" 2
7 1 14 GLU O 1 65 TYR H 2.200 . 2.600 2.243 2.184 2.280 . 0 0 "[ . 1 . 2 ]" 2
8 1 16 LYS H 1 63 GLN O 2.200 . 2.600 2.205 2.104 2.280 . 0 0 "[ . 1 . 2 ]" 2
9 1 16 LYS O 1 63 GLN H 2.200 . 2.600 2.540 2.445 2.626 0.026 20 0 "[ . 1 . 2 ]" 2
10 1 16 LYS O 1 62 VAL H 2.200 . 2.600 2.100 1.984 2.207 . 0 0 "[ . 1 . 2 ]" 2
11 1 18 LYS H 1 60 LYS O 2.200 . 2.600 2.222 2.173 2.281 . 0 0 "[ . 1 . 2 ]" 2
12 1 18 LYS O 1 60 LYS H 2.200 . 2.600 2.251 2.187 2.285 . 0 0 "[ . 1 . 2 ]" 2
13 1 34 ARG O 1 38 GLN H 2.200 . 2.600 2.092 2.024 2.192 . 0 0 "[ . 1 . 2 ]" 2
14 1 33 ILE O 1 37 LEU H 2.200 . 2.600 2.145 2.090 2.241 . 0 0 "[ . 1 . 2 ]" 2
15 1 32 VAL O 1 36 LYS H 2.200 . 2.600 2.265 2.217 2.303 . 0 0 "[ . 1 . 2 ]" 2
16 1 31 ASP O 1 35 ILE H 2.200 . 2.600 2.278 2.250 2.324 . 0 0 "[ . 1 . 2 ]" 2
17 1 30 VAL O 1 34 ARG H 2.200 . 2.600 2.212 2.112 2.253 . 0 0 "[ . 1 . 2 ]" 2
18 1 29 PHE O 1 33 ILE H 2.200 . 2.600 1.972 1.903 1.989 . 0 0 "[ . 1 . 2 ]" 2
19 1 28 ASP O 1 32 VAL H 2.200 . 2.600 2.589 2.403 2.616 0.016 22 0 "[ . 1 . 2 ]" 2
20 1 40 LYS O 1 71 VAL H 2.200 . 2.600 2.270 2.186 2.306 . 0 0 "[ . 1 . 2 ]" 2
21 1 42 VAL H 1 69 LEU O 2.200 . 2.600 2.040 1.983 2.085 . 0 0 "[ . 1 . 2 ]" 2
22 1 42 VAL O 1 69 LEU H 2.200 . 2.600 2.474 2.331 2.601 0.001 13 0 "[ . 1 . 2 ]" 2
23 1 46 ASP O 1 61 VAL H 2.200 . 2.600 2.172 2.130 2.235 . 0 0 "[ . 1 . 2 ]" 2
24 1 48 ILE H 1 59 PHE O 2.200 . 2.600 2.313 2.271 2.392 . 0 0 "[ . 1 . 2 ]" 2
25 1 48 ILE O 1 59 PHE H 2.200 . 2.600 2.164 2.140 2.191 . 0 0 "[ . 1 . 2 ]" 2
26 1 50 ILE H 1 57 VAL O 2.200 . 2.600 2.201 2.146 2.265 . 0 0 "[ . 1 . 2 ]" 2
27 1 50 ILE O 1 57 VAL H 2.200 . 2.600 2.252 2.170 2.314 . 0 0 "[ . 1 . 2 ]" 2
28 1 52 ILE H 1 55 LYS O 2.200 . 2.600 2.111 2.019 2.160 . 0 0 "[ . 1 . 2 ]" 2
29 1 20 LEU H 1 58 LYS O 2.200 . 2.600 2.215 2.166 2.298 . 0 0 "[ . 1 . 2 ]" 2
30 1 37 LEU O 1 40 LYS H 2.200 . 2.600 2.221 2.180 2.292 . 0 0 "[ . 1 . 2 ]" 2
31 1 45 GLY H 1 61 VAL O 2.200 . 2.600 2.211 2.154 2.288 . 0 0 "[ . 1 . 2 ]" 2
32 1 43 ARG O 1 46 ASP H 2.200 . 2.600 2.334 2.303 2.362 . 0 0 "[ . 1 . 2 ]" 2
33 1 43 ARG H 1 46 ASP OD1 2.200 . 2.600 4.240 4.205 4.268 1.668 14 22 [*************+*******-] 2
stop_
save_
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