NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
447781 |
2krs   |
16647 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2krs
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 932
_Distance_constraint_stats_list.Viol_count 400
_Distance_constraint_stats_list.Viol_total 349.589
_Distance_constraint_stats_list.Viol_max 0.304
_Distance_constraint_stats_list.Viol_rms 0.0086
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0437
_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 1 MET 0.554 0.099 4 0 "[ . 1 . 2]"
1 2 GLN 0.425 0.097 2 0 "[ . 1 . 2]"
1 3 GLY 0.855 0.097 2 0 "[ . 1 . 2]"
1 4 VAL 0.646 0.134 2 0 "[ . 1 . 2]"
1 5 VAL 0.413 0.063 17 0 "[ . 1 . 2]"
1 6 LYS 0.476 0.078 17 0 "[ . 1 . 2]"
1 7 VAL 0.657 0.108 9 0 "[ . 1 . 2]"
1 8 ASN 0.014 0.014 10 0 "[ . 1 . 2]"
1 9 SER 0.384 0.074 11 0 "[ . 1 . 2]"
1 10 ALA 1.384 0.191 17 0 "[ . 1 . 2]"
1 11 LEU 0.194 0.053 10 0 "[ . 1 . 2]"
1 12 ASN 0.042 0.042 14 0 "[ . 1 . 2]"
1 13 MET 1.751 0.090 6 0 "[ . 1 . 2]"
1 14 ARG 1.278 0.226 5 0 "[ . 1 . 2]"
1 15 SER 1.244 0.251 14 0 "[ . 1 . 2]"
1 16 GLY 0.106 0.106 18 0 "[ . 1 . 2]"
1 17 PRO 0.096 0.050 6 0 "[ . 1 . 2]"
1 18 GLY 0.381 0.121 13 0 "[ . 1 . 2]"
1 19 SER 1.311 0.304 17 0 "[ . 1 . 2]"
1 20 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 TYR 0.155 0.106 18 0 "[ . 1 . 2]"
1 22 GLY 0.979 0.140 15 0 "[ . 1 . 2]"
1 23 VAL 0.562 0.125 9 0 "[ . 1 . 2]"
1 24 ILE 0.590 0.251 14 0 "[ . 1 . 2]"
1 25 GLY 0.561 0.074 17 0 "[ . 1 . 2]"
1 26 THR 0.276 0.073 4 0 "[ . 1 . 2]"
1 27 LEU 0.465 0.091 4 0 "[ . 1 . 2]"
1 28 ARG 1.050 0.191 17 0 "[ . 1 . 2]"
1 29 ASN 0.158 0.108 9 0 "[ . 1 . 2]"
1 30 ASN 0.406 0.078 17 0 "[ . 1 . 2]"
1 31 ASP 0.377 0.061 10 0 "[ . 1 . 2]"
1 32 LYS 0.611 0.134 2 0 "[ . 1 . 2]"
1 33 VAL 0.441 0.091 16 0 "[ . 1 . 2]"
1 34 GLU 0.149 0.149 16 0 "[ . 1 . 2]"
1 35 ILE 0.527 0.149 16 0 "[ . 1 . 2]"
1 36 ILE 0.285 0.074 16 0 "[ . 1 . 2]"
1 37 LYS 0.297 0.070 15 0 "[ . 1 . 2]"
1 38 GLU 0.086 0.086 15 0 "[ . 1 . 2]"
1 39 VAL 0.732 0.078 15 0 "[ . 1 . 2]"
1 40 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLY 0.236 0.162 2 0 "[ . 1 . 2]"
1 42 TRP 2.202 0.304 17 0 "[ . 1 . 2]"
1 43 TYR 1.177 0.164 11 0 "[ . 1 . 2]"
1 44 GLU 1.937 0.134 8 0 "[ . 1 . 2]"
1 45 ILE 0.754 0.090 6 0 "[ . 1 . 2]"
1 46 ARG 0.006 0.006 16 0 "[ . 1 . 2]"
1 47 PHE 0.681 0.083 5 0 "[ . 1 . 2]"
1 48 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LYS 0.398 0.126 12 0 "[ . 1 . 2]"
1 51 VAL 0.013 0.013 5 0 "[ . 1 . 2]"
1 52 GLY 0.033 0.033 17 0 "[ . 1 . 2]"
1 53 TYR 1.753 0.134 8 0 "[ . 1 . 2]"
1 54 ALA 0.313 0.091 4 0 "[ . 1 . 2]"
1 55 SER 0.207 0.100 3 0 "[ . 1 . 2]"
1 56 LYS 0.785 0.164 11 0 "[ . 1 . 2]"
1 57 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 TYR 0.301 0.102 13 0 "[ . 1 . 2]"
1 59 ILE 1.250 0.133 8 0 "[ . 1 . 2]"
1 60 THR 0.019 0.019 15 0 "[ . 1 . 2]"
1 61 ILE 0.479 0.087 13 0 "[ . 1 . 2]"
1 62 VAL 0.246 0.035 16 0 "[ . 1 . 2]"
1 63 ASN 0.132 0.068 14 0 "[ . 1 . 2]"
1 64 GLU 0.405 0.068 14 0 "[ . 1 . 2]"
1 65 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLU 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 1 MET HA 1 2 GLN H 1.800 . 3.650 2.223 2.144 2.982 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET QB 1 35 ILE HB 1.800 . 3.930 3.655 2.554 4.029 0.099 4 0 "[ . 1 . 2]" 1
3 1 1 MET QB 1 35 ILE MD 1.800 . 5.010 4.385 3.187 5.039 0.029 5 0 "[ . 1 . 2]" 1
4 1 1 MET QB 1 35 ILE MG 1.800 . 4.710 4.482 3.712 4.739 0.029 15 0 "[ . 1 . 2]" 1
5 1 1 MET QB 1 35 ILE H 1.800 . 4.810 4.042 3.217 4.822 0.012 4 0 "[ . 1 . 2]" 1
6 1 1 MET QB 1 61 ILE MG 1.800 . 5.540 4.807 3.309 5.554 0.014 3 0 "[ . 1 . 2]" 1
7 1 1 MET ME 1 35 ILE MG 1.800 . 4.300 3.702 2.388 4.337 0.037 20 0 "[ . 1 . 2]" 1
8 1 1 MET ME 1 61 ILE MD 1.800 . 5.250 3.466 2.816 5.281 0.031 18 0 "[ . 1 . 2]" 1
9 1 1 MET ME 1 61 ILE MG 1.800 . 4.790 2.789 2.078 4.105 . 0 0 "[ . 1 . 2]" 1
10 1 1 MET QG 1 2 GLN H 1.800 . 4.590 2.943 2.156 4.600 0.010 13 0 "[ . 1 . 2]" 1
11 1 1 MET QG 1 35 ILE HB 1.800 . 4.710 3.051 2.184 4.733 0.023 13 0 "[ . 1 . 2]" 1
12 1 1 MET QG 1 35 ILE MD 1.800 . 5.010 3.195 2.194 4.979 . 0 0 "[ . 1 . 2]" 1
13 1 1 MET HG3 1 61 ILE MG 1.800 . 4.790 3.914 3.133 4.843 0.053 2 0 "[ . 1 . 2]" 1
14 1 1 MET HG2 1 61 ILE MG 1.800 . 4.790 4.185 3.223 4.877 0.087 13 0 "[ . 1 . 2]" 1
15 1 2 GLN HA 1 3 GLY H 1.800 . 3.480 2.140 2.116 2.161 . 0 0 "[ . 1 . 2]" 1
16 1 2 GLN HA 1 34 GLU HA 1.800 . 4.030 2.859 2.354 3.671 . 0 0 "[ . 1 . 2]" 1
17 1 2 GLN HA 1 35 ILE H 1.800 . 4.300 3.414 2.735 4.112 . 0 0 "[ . 1 . 2]" 1
18 1 2 GLN QB 1 3 GLY H 1.800 . 3.760 3.425 3.181 3.815 0.055 9 0 "[ . 1 . 2]" 1
19 1 2 GLN QB 1 62 VAL MG2 1.800 . 3.940 3.531 2.430 3.973 0.033 17 0 "[ . 1 . 2]" 1
20 1 2 GLN QG 1 3 GLY H 1.800 . 4.550 4.197 2.847 4.647 0.097 2 0 "[ . 1 . 2]" 1
21 1 2 GLN QG 1 62 VAL MG2 1.800 . 5.840 5.073 3.035 5.770 . 0 0 "[ . 1 . 2]" 1
22 1 2 GLN H 1 2 GLN QB 1.800 . 3.750 2.647 2.502 3.267 . 0 0 "[ . 1 . 2]" 1
23 1 2 GLN H 1 2 GLN QG 1.800 . 4.550 3.187 2.441 4.086 . 0 0 "[ . 1 . 2]" 1
24 1 3 GLY QA 1 33 VAL H 1.800 . 6.020 4.166 3.721 4.413 . 0 0 "[ . 1 . 2]" 1
25 1 3 GLY HA3 1 4 VAL H 1.800 . 3.670 2.871 2.698 3.072 . 0 0 "[ . 1 . 2]" 1
26 1 3 GLY HA3 1 33 VAL MG2 1.800 . 5.140 3.183 2.630 4.042 . 0 0 "[ . 1 . 2]" 1
27 1 3 GLY HA3 1 35 ILE MD 1.800 . 4.840 2.255 2.079 2.845 . 0 0 "[ . 1 . 2]" 1
28 1 3 GLY HA3 1 59 ILE MG 1.800 . 5.190 3.452 2.813 3.750 . 0 0 "[ . 1 . 2]" 1
29 1 3 GLY HA3 1 61 ILE HA 1.800 . 4.830 4.092 3.394 4.696 . 0 0 "[ . 1 . 2]" 1
30 1 3 GLY HA3 1 62 VAL MG2 1.800 . 4.870 4.592 3.853 4.899 0.029 9 0 "[ . 1 . 2]" 1
31 1 3 GLY HA3 1 62 VAL H 1.800 . 5.100 4.800 4.131 5.135 0.035 16 0 "[ . 1 . 2]" 1
32 1 3 GLY HA2 1 4 VAL H 1.800 . 3.670 2.333 2.199 2.481 . 0 0 "[ . 1 . 2]" 1
33 1 3 GLY HA2 1 33 VAL MG2 1.800 . 5.140 4.420 3.873 5.183 0.043 3 0 "[ . 1 . 2]" 1
34 1 3 GLY HA2 1 35 ILE MD 1.800 . 4.840 3.019 2.601 4.253 . 0 0 "[ . 1 . 2]" 1
35 1 3 GLY HA2 1 59 ILE MG 1.800 . 5.190 4.121 3.516 4.506 . 0 0 "[ . 1 . 2]" 1
36 1 3 GLY HA2 1 61 ILE HA 1.800 . 4.830 2.994 2.466 3.498 . 0 0 "[ . 1 . 2]" 1
37 1 3 GLY HA2 1 62 VAL MG2 1.800 . 4.870 3.100 2.338 3.553 . 0 0 "[ . 1 . 2]" 1
38 1 3 GLY HA2 1 62 VAL H 1.800 . 5.100 3.167 2.548 3.481 . 0 0 "[ . 1 . 2]" 1
39 1 3 GLY H 1 33 VAL MG2 1.800 . 4.090 3.233 2.792 3.723 . 0 0 "[ . 1 . 2]" 1
40 1 3 GLY H 1 33 VAL H 1.800 . 3.770 3.685 3.386 3.861 0.091 16 0 "[ . 1 . 2]" 1
41 1 3 GLY H 1 34 GLU HA 1.800 . 4.650 3.351 2.954 3.799 . 0 0 "[ . 1 . 2]" 1
42 1 3 GLY H 1 35 ILE MD 1.800 . 4.880 3.102 2.779 3.501 . 0 0 "[ . 1 . 2]" 1
43 1 3 GLY H 1 35 ILE HG13 1.800 . 5.790 2.796 2.475 3.104 . 0 0 "[ . 1 . 2]" 1
44 1 3 GLY H 1 35 ILE HG12 1.800 . 5.790 4.330 2.250 4.801 . 0 0 "[ . 1 . 2]" 1
45 1 3 GLY H 1 62 VAL MG2 1.800 . 5.060 4.858 4.513 5.083 0.023 4 0 "[ . 1 . 2]" 1
46 1 4 VAL HA 1 4 VAL MG1 1.800 . 3.870 2.396 2.326 2.418 . 0 0 "[ . 1 . 2]" 1
47 1 4 VAL HA 1 4 VAL MG2 1.800 . 4.110 2.316 2.248 2.383 . 0 0 "[ . 1 . 2]" 1
48 1 4 VAL HA 1 5 VAL MG2 1.800 . 4.520 3.509 3.364 3.672 . 0 0 "[ . 1 . 2]" 1
49 1 4 VAL HA 1 5 VAL H 1.800 . 3.150 2.161 2.135 2.177 . 0 0 "[ . 1 . 2]" 1
50 1 4 VAL HA 1 32 LYS HA 1.800 . 3.750 2.876 2.319 3.206 . 0 0 "[ . 1 . 2]" 1
51 1 4 VAL HA 1 32 LYS QD 1.800 . 6.050 5.357 3.401 6.105 0.055 3 0 "[ . 1 . 2]" 1
52 1 4 VAL HA 1 33 VAL MG1 1.800 . 5.220 4.720 4.140 5.251 0.031 2 0 "[ . 1 . 2]" 1
53 1 4 VAL HA 1 33 VAL MG2 1.800 . 4.820 3.603 2.942 4.474 . 0 0 "[ . 1 . 2]" 1
54 1 4 VAL HA 1 33 VAL H 1.800 . 4.890 3.628 3.197 4.053 . 0 0 "[ . 1 . 2]" 1
55 1 4 VAL HB 1 5 VAL H 1.800 . 4.940 4.235 4.153 4.275 . 0 0 "[ . 1 . 2]" 1
56 1 4 VAL HB 1 30 ASN HA 1.800 . 6.050 5.696 5.201 6.092 0.042 19 0 "[ . 1 . 2]" 1
57 1 4 VAL HB 1 60 THR HB 1.800 . 5.250 3.673 3.055 4.464 . 0 0 "[ . 1 . 2]" 1
58 1 4 VAL HB 1 60 THR H 1.800 . 5.160 4.146 3.472 4.666 . 0 0 "[ . 1 . 2]" 1
59 1 4 VAL HB 1 62 VAL MG2 1.800 . 4.980 3.468 2.709 4.863 . 0 0 "[ . 1 . 2]" 1
60 1 4 VAL MG1 1 5 VAL H 1.800 . 3.770 2.541 2.449 2.648 . 0 0 "[ . 1 . 2]" 1
61 1 4 VAL MG1 1 6 LYS QD 1.800 . 4.730 3.437 2.263 4.555 . 0 0 "[ . 1 . 2]" 1
62 1 4 VAL MG1 1 6 LYS QE 1.800 . 5.030 3.162 2.055 5.076 0.046 20 0 "[ . 1 . 2]" 1
63 1 4 VAL MG1 1 6 LYS QG 1.800 . 4.760 2.784 2.224 4.774 0.014 1 0 "[ . 1 . 2]" 1
64 1 4 VAL MG1 1 30 ASN HA 1.800 . 3.550 2.699 2.255 3.035 . 0 0 "[ . 1 . 2]" 1
65 1 4 VAL MG1 1 30 ASN QB 1.800 . 5.400 4.234 3.600 4.659 . 0 0 "[ . 1 . 2]" 1
66 1 4 VAL MG1 1 30 ASN H 1.800 . 4.280 3.710 3.221 4.266 . 0 0 "[ . 1 . 2]" 1
67 1 4 VAL MG1 1 31 ASP H 1.800 . 4.800 3.851 3.387 4.308 . 0 0 "[ . 1 . 2]" 1
68 1 4 VAL MG1 1 32 LYS H 1.800 . 5.910 5.041 4.614 5.490 . 0 0 "[ . 1 . 2]" 1
69 1 4 VAL MG1 1 60 THR HB 1.800 . 4.880 4.168 3.687 4.899 0.019 15 0 "[ . 1 . 2]" 1
70 1 4 VAL MG1 1 60 THR H 1.800 . 4.750 4.449 3.928 4.725 . 0 0 "[ . 1 . 2]" 1
71 1 4 VAL MG2 1 32 LYS HA 1.800 . 4.330 3.177 2.616 3.681 . 0 0 "[ . 1 . 2]" 1
72 1 4 VAL MG2 1 32 LYS QD 1.800 . 4.750 3.716 2.168 4.662 . 0 0 "[ . 1 . 2]" 1
73 1 4 VAL MG2 1 32 LYS QE 1.800 . 4.090 3.461 2.561 4.224 0.134 2 0 "[ . 1 . 2]" 1
74 1 4 VAL MG2 1 32 LYS QG 1.800 . 4.540 2.841 2.146 4.213 . 0 0 "[ . 1 . 2]" 1
75 1 4 VAL MG2 1 32 LYS H 1.800 . 6.050 4.985 4.520 5.292 . 0 0 "[ . 1 . 2]" 1
76 1 4 VAL MG2 1 33 VAL H 1.800 . 4.970 4.192 3.652 4.702 . 0 0 "[ . 1 . 2]" 1
77 1 4 VAL H 1 4 VAL HB 1.800 . 3.860 2.580 2.514 2.658 . 0 0 "[ . 1 . 2]" 1
78 1 4 VAL H 1 4 VAL MG2 1.800 . 3.530 2.924 2.800 2.990 . 0 0 "[ . 1 . 2]" 1
79 1 4 VAL H 1 5 VAL MG2 1.800 . 5.480 4.677 4.476 4.870 . 0 0 "[ . 1 . 2]" 1
80 1 4 VAL H 1 35 ILE MD 1.800 . 5.740 4.236 3.972 5.005 . 0 0 "[ . 1 . 2]" 1
81 1 4 VAL H 1 59 ILE HA 1.800 . 5.270 4.741 4.092 5.200 . 0 0 "[ . 1 . 2]" 1
82 1 4 VAL H 1 59 ILE MG 1.800 . 3.860 3.411 2.658 3.757 . 0 0 "[ . 1 . 2]" 1
83 1 4 VAL H 1 60 THR HB 1.800 . 6.030 4.310 3.652 5.082 . 0 0 "[ . 1 . 2]" 1
84 1 4 VAL H 1 60 THR MG 1.800 . 5.300 4.808 4.340 5.131 . 0 0 "[ . 1 . 2]" 1
85 1 4 VAL H 1 61 ILE HA 1.800 . 5.520 3.756 3.343 4.258 . 0 0 "[ . 1 . 2]" 1
86 1 4 VAL H 1 62 VAL MG2 1.800 . 5.020 3.545 2.951 4.593 . 0 0 "[ . 1 . 2]" 1
87 1 5 VAL HA 1 5 VAL MG1 1.800 . 3.700 2.322 2.272 2.389 . 0 0 "[ . 1 . 2]" 1
88 1 5 VAL HA 1 5 VAL MG2 1.800 . 3.700 2.380 2.284 2.461 . 0 0 "[ . 1 . 2]" 1
89 1 5 VAL HA 1 6 LYS QB 1.800 . 5.280 4.301 4.045 4.484 . 0 0 "[ . 1 . 2]" 1
90 1 5 VAL HA 1 6 LYS H 1.800 . 3.210 2.158 2.138 2.175 . 0 0 "[ . 1 . 2]" 1
91 1 5 VAL HA 1 59 ILE HA 1.800 . 3.930 2.779 2.442 3.069 . 0 0 "[ . 1 . 2]" 1
92 1 5 VAL HA 1 59 ILE MD 1.800 . 4.110 3.211 2.322 4.173 0.063 17 0 "[ . 1 . 2]" 1
93 1 5 VAL HA 1 59 ILE QG 1.800 . 4.650 3.541 2.435 4.702 0.052 15 0 "[ . 1 . 2]" 1
94 1 5 VAL HA 1 59 ILE MG 1.800 . 5.130 3.910 3.030 4.749 . 0 0 "[ . 1 . 2]" 1
95 1 5 VAL HA 1 59 ILE H 1.800 . 6.050 5.291 4.974 5.633 . 0 0 "[ . 1 . 2]" 1
96 1 5 VAL HA 1 60 THR H 1.800 . 4.660 3.709 3.363 4.208 . 0 0 "[ . 1 . 2]" 1
97 1 5 VAL HB 1 27 LEU QB 1.800 . 5.100 4.000 3.565 4.338 . 0 0 "[ . 1 . 2]" 1
98 1 5 VAL HB 1 29 ASN HA 1.800 . 4.960 3.745 2.640 4.865 . 0 0 "[ . 1 . 2]" 1
99 1 5 VAL HB 1 30 ASN HA 1.800 . 6.050 4.894 4.254 5.499 . 0 0 "[ . 1 . 2]" 1
100 1 5 VAL HB 1 30 ASN H 1.800 . 4.570 3.973 3.550 4.493 . 0 0 "[ . 1 . 2]" 1
101 1 5 VAL HB 1 31 ASP QB 1.800 . 4.690 2.577 2.312 3.496 . 0 0 "[ . 1 . 2]" 1
102 1 5 VAL HB 1 31 ASP H 1.800 . 3.640 2.715 2.207 3.681 0.041 5 0 "[ . 1 . 2]" 1
103 1 5 VAL MG1 1 6 LYS HA 1.800 . 4.700 3.729 3.531 3.918 . 0 0 "[ . 1 . 2]" 1
104 1 5 VAL MG1 1 6 LYS H 1.800 . 3.700 2.686 2.582 3.057 . 0 0 "[ . 1 . 2]" 1
105 1 5 VAL MG1 1 7 VAL HB 1.800 . 4.530 3.530 2.874 4.536 0.006 4 0 "[ . 1 . 2]" 1
106 1 5 VAL MG1 1 7 VAL H 1.800 . 5.260 3.667 3.429 4.197 . 0 0 "[ . 1 . 2]" 1
107 1 5 VAL MG1 1 27 LEU HB3 1.800 . 4.750 2.996 2.312 3.432 . 0 0 "[ . 1 . 2]" 1
108 1 5 VAL MG1 1 27 LEU HB2 1.800 . 4.750 3.080 2.482 3.622 . 0 0 "[ . 1 . 2]" 1
109 1 5 VAL MG1 1 28 ARG H 1.800 . 5.050 4.565 4.040 5.061 0.011 18 0 "[ . 1 . 2]" 1
110 1 5 VAL MG1 1 29 ASN HA 1.800 . 4.000 3.248 2.328 3.941 . 0 0 "[ . 1 . 2]" 1
111 1 5 VAL MG1 1 30 ASN H 1.800 . 5.470 4.194 3.512 4.571 . 0 0 "[ . 1 . 2]" 1
112 1 5 VAL MG1 1 31 ASP QB 1.800 . 5.250 3.587 3.302 4.429 . 0 0 "[ . 1 . 2]" 1
113 1 5 VAL MG1 1 31 ASP H 1.800 . 5.070 4.007 3.521 4.922 . 0 0 "[ . 1 . 2]" 1
114 1 5 VAL MG1 1 54 ALA MB 1.800 . 5.070 4.203 3.635 4.700 . 0 0 "[ . 1 . 2]" 1
115 1 5 VAL MG1 1 58 TYR QB 1.800 . 4.060 3.068 2.560 3.685 . 0 0 "[ . 1 . 2]" 1
116 1 5 VAL MG1 1 59 ILE QG 1.800 . 5.140 3.519 2.320 4.295 . 0 0 "[ . 1 . 2]" 1
117 1 5 VAL MG2 1 27 LEU HB3 1.800 . 5.160 3.182 2.521 3.643 . 0 0 "[ . 1 . 2]" 1
118 1 5 VAL MG2 1 27 LEU HB2 1.800 . 5.160 4.014 3.348 4.575 . 0 0 "[ . 1 . 2]" 1
119 1 5 VAL MG2 1 27 LEU MD1 1.800 . 4.050 2.627 2.245 2.910 . 0 0 "[ . 1 . 2]" 1
120 1 5 VAL MG2 1 27 LEU MD2 1.800 . 4.330 3.772 3.293 4.115 . 0 0 "[ . 1 . 2]" 1
121 1 5 VAL MG2 1 28 ARG H 1.800 . 5.600 4.988 4.350 5.508 . 0 0 "[ . 1 . 2]" 1
122 1 5 VAL MG2 1 30 ASN H 1.800 . 6.050 5.286 4.944 5.720 . 0 0 "[ . 1 . 2]" 1
123 1 5 VAL MG2 1 31 ASP QB 1.800 . 3.850 2.880 2.420 3.385 . 0 0 "[ . 1 . 2]" 1
124 1 5 VAL MG2 1 31 ASP H 1.800 . 4.440 3.955 3.468 4.461 0.021 5 0 "[ . 1 . 2]" 1
125 1 5 VAL MG2 1 32 LYS H 1.800 . 6.050 5.310 5.037 5.833 . 0 0 "[ . 1 . 2]" 1
126 1 5 VAL MG2 1 33 VAL MG2 1.800 . 4.230 2.587 2.106 3.053 . 0 0 "[ . 1 . 2]" 1
127 1 5 VAL MG2 1 33 VAL H 1.800 . 5.120 4.264 3.793 4.605 . 0 0 "[ . 1 . 2]" 1
128 1 5 VAL MG2 1 54 ALA MB 1.800 . 4.270 3.908 3.592 4.192 . 0 0 "[ . 1 . 2]" 1
129 1 5 VAL MG2 1 59 ILE QG 1.800 . 4.590 2.974 2.219 4.187 . 0 0 "[ . 1 . 2]" 1
130 1 5 VAL H 1 5 VAL HB 1.800 . 3.490 2.510 2.400 2.614 . 0 0 "[ . 1 . 2]" 1
131 1 5 VAL H 1 5 VAL MG1 1.800 . 4.520 3.771 3.746 3.810 . 0 0 "[ . 1 . 2]" 1
132 1 5 VAL H 1 5 VAL MG2 1.800 . 3.510 2.282 2.069 2.637 . 0 0 "[ . 1 . 2]" 1
133 1 5 VAL H 1 30 ASN H 1.800 . 5.730 4.479 4.182 4.962 . 0 0 "[ . 1 . 2]" 1
134 1 5 VAL H 1 31 ASP H 1.800 . 4.540 3.385 3.003 4.348 . 0 0 "[ . 1 . 2]" 1
135 1 5 VAL H 1 33 VAL MG2 1.800 . 5.360 3.910 3.410 4.770 . 0 0 "[ . 1 . 2]" 1
136 1 5 VAL H 1 59 ILE MG 1.800 . 6.050 5.132 4.320 5.806 . 0 0 "[ . 1 . 2]" 1
137 1 6 LYS HA 1 6 LYS QD 1.800 . 4.090 3.350 2.150 4.135 0.045 13 0 "[ . 1 . 2]" 1
138 1 6 LYS HA 1 6 LYS QG 1.800 . 4.000 2.464 2.239 2.960 . 0 0 "[ . 1 . 2]" 1
139 1 6 LYS HA 1 7 VAL QG 1.800 . 5.030 3.627 3.311 3.922 . 0 0 "[ . 1 . 2]" 1
140 1 6 LYS HA 1 7 VAL H 1.800 . 3.040 2.163 2.136 2.187 . 0 0 "[ . 1 . 2]" 1
141 1 6 LYS HA 1 29 ASN HA 1.800 . 4.610 3.538 2.616 4.603 . 0 0 "[ . 1 . 2]" 1
142 1 6 LYS HA 1 30 ASN H 1.800 . 4.620 3.085 2.361 3.631 . 0 0 "[ . 1 . 2]" 1
143 1 6 LYS QB 1 6 LYS QD 1.800 . 2.880 2.202 2.121 2.379 . 0 0 "[ . 1 . 2]" 1
144 1 6 LYS QB 1 7 VAL H 1.800 . 4.530 3.630 3.518 3.892 . 0 0 "[ . 1 . 2]" 1
145 1 6 LYS QD 1 30 ASN HA 1.800 . 5.870 5.226 3.592 5.948 0.078 17 0 "[ . 1 . 2]" 1
146 1 6 LYS QG 1 7 VAL H 1.800 . 5.170 4.121 2.928 4.803 . 0 0 "[ . 1 . 2]" 1
147 1 6 LYS H 1 6 LYS QB 1.800 . 3.770 2.545 2.446 2.616 . 0 0 "[ . 1 . 2]" 1
148 1 6 LYS H 1 6 LYS QG 1.800 . 4.710 3.131 2.521 4.174 . 0 0 "[ . 1 . 2]" 1
149 1 6 LYS H 1 58 TYR QB 1.800 . 4.890 3.760 3.101 4.392 . 0 0 "[ . 1 . 2]" 1
150 1 7 VAL HA 1 7 VAL QG 1.800 . 3.410 2.241 2.087 2.366 . 0 0 "[ . 1 . 2]" 1
151 1 7 VAL HA 1 58 TYR QD 1.800 . 4.810 2.983 2.347 4.022 . 0 0 "[ . 1 . 2]" 1
152 1 7 VAL HB 1 8 ASN H 1.800 . 5.900 3.686 2.540 4.155 . 0 0 "[ . 1 . 2]" 1
153 1 7 VAL HB 1 58 TYR QB 1.800 . 4.990 3.661 2.330 5.022 0.032 10 0 "[ . 1 . 2]" 1
154 1 7 VAL HB 1 58 TYR QD 1.800 . 5.600 3.347 2.341 4.667 . 0 0 "[ . 1 . 2]" 1
155 1 7 VAL QG 1 8 ASN H 1.800 . 5.700 2.318 1.882 3.260 . 0 0 "[ . 1 . 2]" 1
156 1 7 VAL QG 1 9 SER H 1.800 . 5.030 1.994 1.726 2.735 0.074 11 0 "[ . 1 . 2]" 1
157 1 7 VAL QG 1 10 ALA H 1.800 . 4.890 3.320 2.292 4.615 . 0 0 "[ . 1 . 2]" 1
158 1 7 VAL QG 1 11 LEU HA 1.800 . 4.650 3.283 2.704 4.039 . 0 0 "[ . 1 . 2]" 1
159 1 7 VAL QG 1 11 LEU QB 1.800 . 3.540 2.191 1.847 2.465 . 0 0 "[ . 1 . 2]" 1
160 1 7 VAL QG 1 11 LEU MD1 1.800 . 3.340 2.940 2.442 3.359 0.019 10 0 "[ . 1 . 2]" 1
161 1 7 VAL QG 1 11 LEU H 1.800 . 4.020 2.968 2.375 3.941 . 0 0 "[ . 1 . 2]" 1
162 1 7 VAL QG 1 28 ARG HA 1.800 . 4.600 3.603 3.075 4.367 . 0 0 "[ . 1 . 2]" 1
163 1 7 VAL QG 1 29 ASN HA 1.800 . 4.000 2.586 2.214 3.630 . 0 0 "[ . 1 . 2]" 1
164 1 7 VAL QG 1 29 ASN QB 1.800 . 4.030 2.664 2.108 3.619 . 0 0 "[ . 1 . 2]" 1
165 1 7 VAL QG 1 29 ASN H 1.800 . 3.840 3.269 2.563 3.948 0.108 9 0 "[ . 1 . 2]" 1
166 1 7 VAL QG 1 30 ASN H 1.800 . 5.850 4.219 3.590 5.260 . 0 0 "[ . 1 . 2]" 1
167 1 7 VAL QG 1 58 TYR HA 1.800 . 5.170 4.449 2.904 5.272 0.102 13 0 "[ . 1 . 2]" 1
168 1 7 VAL QG 1 58 TYR HB3 1.800 . 5.310 3.291 2.048 4.138 . 0 0 "[ . 1 . 2]" 1
169 1 7 VAL QG 1 58 TYR HB2 1.800 . 5.310 4.396 3.239 5.288 . 0 0 "[ . 1 . 2]" 1
170 1 7 VAL QG 1 58 TYR QD 1.800 . 3.730 2.610 2.102 3.128 . 0 0 "[ . 1 . 2]" 1
171 1 7 VAL QG 1 58 TYR QE 1.800 . 4.750 3.077 2.402 3.899 . 0 0 "[ . 1 . 2]" 1
172 1 7 VAL H 1 7 VAL QG 1.800 . 3.490 2.231 1.932 2.817 . 0 0 "[ . 1 . 2]" 1
173 1 7 VAL H 1 29 ASN HA 1.800 . 4.220 3.006 2.400 3.568 . 0 0 "[ . 1 . 2]" 1
174 1 7 VAL H 1 29 ASN QB 1.800 . 4.270 2.724 1.779 3.908 0.021 17 0 "[ . 1 . 2]" 1
175 1 7 VAL H 1 30 ASN H 1.800 . 6.020 3.838 3.328 4.321 . 0 0 "[ . 1 . 2]" 1
176 1 8 ASN HA 1 29 ASN QB 1.800 . 5.860 4.784 3.767 5.874 0.014 10 0 "[ . 1 . 2]" 1
177 1 9 SER QB 1 10 ALA MB 1.800 . 5.380 3.488 3.143 4.114 . 0 0 "[ . 1 . 2]" 1
178 1 9 SER QB 1 10 ALA H 1.800 . 4.460 2.221 1.752 3.089 0.048 17 0 "[ . 1 . 2]" 1
179 1 10 ALA HA 1 11 LEU H 1.800 . 3.040 2.227 2.198 2.251 . 0 0 "[ . 1 . 2]" 1
180 1 10 ALA MB 1 11 LEU H 1.800 . 3.870 2.815 2.730 2.869 . 0 0 "[ . 1 . 2]" 1
181 1 10 ALA MB 1 26 THR HB 1.800 . 4.400 3.628 2.492 4.473 0.073 4 0 "[ . 1 . 2]" 1
182 1 10 ALA MB 1 28 ARG QD 1.800 . 4.980 4.776 3.287 5.171 0.191 17 0 "[ . 1 . 2]" 1
183 1 10 ALA MB 1 28 ARG QG 1.800 . 4.820 3.825 3.187 4.885 0.065 20 0 "[ . 1 . 2]" 1
184 1 11 LEU HA 1 11 LEU MD1 1.800 . 3.600 2.180 2.096 3.328 . 0 0 "[ . 1 . 2]" 1
185 1 11 LEU HA 1 11 LEU MD2 1.800 . 4.910 3.794 3.503 3.840 . 0 0 "[ . 1 . 2]" 1
186 1 11 LEU HA 1 12 ASN H 1.800 . 3.220 2.154 2.132 2.172 . 0 0 "[ . 1 . 2]" 1
187 1 11 LEU QB 1 11 LEU MD2 1.800 . 3.540 2.097 2.082 2.163 . 0 0 "[ . 1 . 2]" 1
188 1 11 LEU QB 1 12 ASN H 1.800 . 4.310 3.723 3.683 3.785 . 0 0 "[ . 1 . 2]" 1
189 1 11 LEU QB 1 27 LEU QB 1.800 . 4.580 2.352 2.283 2.557 . 0 0 "[ . 1 . 2]" 1
190 1 11 LEU QB 1 27 LEU MD1 1.800 . 4.860 3.253 2.586 3.801 . 0 0 "[ . 1 . 2]" 1
191 1 11 LEU QB 1 27 LEU H 1.800 . 5.190 3.608 2.996 4.011 . 0 0 "[ . 1 . 2]" 1
192 1 11 LEU MD1 1 12 ASN H 1.800 . 3.990 2.227 1.829 4.032 0.042 14 0 "[ . 1 . 2]" 1
193 1 11 LEU MD1 1 55 SER QB 1.800 . 4.650 3.782 2.851 4.678 0.028 11 0 "[ . 1 . 2]" 1
194 1 11 LEU MD1 1 55 SER H 1.800 . 4.880 4.165 3.558 4.933 0.053 10 0 "[ . 1 . 2]" 1
195 1 11 LEU MD1 1 58 TYR HB3 1.800 . 4.470 3.594 2.267 4.497 0.027 3 0 "[ . 1 . 2]" 1
196 1 11 LEU MD1 1 58 TYR HB2 1.800 . 4.470 3.380 2.249 4.463 . 0 0 "[ . 1 . 2]" 1
197 1 11 LEU MD1 1 58 TYR QD 1.800 . 3.820 2.966 2.277 3.742 . 0 0 "[ . 1 . 2]" 1
198 1 11 LEU MD1 1 58 TYR QE 1.800 . 4.380 3.457 2.743 4.132 . 0 0 "[ . 1 . 2]" 1
199 1 11 LEU MD2 1 27 LEU QB 1.800 . 4.250 3.391 2.524 3.790 . 0 0 "[ . 1 . 2]" 1
200 1 11 LEU MD2 1 27 LEU H 1.800 . 5.630 5.080 3.836 5.589 . 0 0 "[ . 1 . 2]" 1
201 1 11 LEU MD2 1 54 ALA MB 1.800 . 4.110 2.735 2.299 3.180 . 0 0 "[ . 1 . 2]" 1
202 1 11 LEU MD2 1 55 SER QB 1.800 . 5.560 3.666 2.839 5.200 . 0 0 "[ . 1 . 2]" 1
203 1 11 LEU MD2 1 55 SER H 1.800 . 5.260 3.348 2.699 4.093 . 0 0 "[ . 1 . 2]" 1
204 1 11 LEU MD2 1 58 TYR HB3 1.800 . 4.720 2.407 2.153 3.918 . 0 0 "[ . 1 . 2]" 1
205 1 11 LEU MD2 1 58 TYR HB2 1.800 . 4.720 2.327 2.073 3.569 . 0 0 "[ . 1 . 2]" 1
206 1 11 LEU MD2 1 58 TYR QD 1.800 . 5.320 3.074 2.303 4.102 . 0 0 "[ . 1 . 2]" 1
207 1 11 LEU MD2 1 58 TYR H 1.800 . 5.480 4.224 3.780 5.363 . 0 0 "[ . 1 . 2]" 1
208 1 11 LEU HG 1 12 ASN H 1.800 . 4.400 2.908 2.360 3.175 . 0 0 "[ . 1 . 2]" 1
209 1 11 LEU HG 1 58 TYR QB 1.800 . 6.050 4.458 3.985 4.829 . 0 0 "[ . 1 . 2]" 1
210 1 11 LEU H 1 11 LEU QB 1.800 . 3.310 2.453 2.372 2.515 . 0 0 "[ . 1 . 2]" 1
211 1 11 LEU H 1 27 LEU QB 1.800 . 4.410 3.242 2.653 4.008 . 0 0 "[ . 1 . 2]" 1
212 1 12 ASN HA 1 13 MET H 1.800 . 3.060 2.207 2.157 2.288 . 0 0 "[ . 1 . 2]" 1
213 1 12 ASN HA 1 23 VAL MG1 1.800 . 5.870 5.102 4.743 5.547 . 0 0 "[ . 1 . 2]" 1
214 1 12 ASN HA 1 25 GLY H 1.800 . 5.500 4.794 4.499 4.999 . 0 0 "[ . 1 . 2]" 1
215 1 12 ASN HA 1 26 THR HA 1.800 . 4.160 2.502 2.255 2.835 . 0 0 "[ . 1 . 2]" 1
216 1 12 ASN HA 1 26 THR MG 1.800 . 4.210 3.162 2.532 3.733 . 0 0 "[ . 1 . 2]" 1
217 1 12 ASN HA 1 27 LEU H 1.800 . 5.370 3.543 3.039 3.910 . 0 0 "[ . 1 . 2]" 1
218 1 12 ASN QB 1 13 MET H 1.800 . 4.170 2.953 2.818 3.113 . 0 0 "[ . 1 . 2]" 1
219 1 12 ASN QB 1 23 VAL MG2 1.800 . 3.390 2.132 2.030 2.398 . 0 0 "[ . 1 . 2]" 1
220 1 12 ASN QD 1 23 VAL MG2 1.800 . 4.830 3.320 2.237 4.072 . 0 0 "[ . 1 . 2]" 1
221 1 12 ASN H 1 12 ASN QB 1.800 . 3.560 2.396 2.267 2.641 . 0 0 "[ . 1 . 2]" 1
222 1 12 ASN H 1 12 ASN QD 1.800 . 5.300 3.512 2.898 3.887 . 0 0 "[ . 1 . 2]" 1
223 1 13 MET HA 1 14 ARG H 1.800 . 3.420 2.248 2.159 2.331 . 0 0 "[ . 1 . 2]" 1
224 1 13 MET HA 1 27 LEU MD1 1.800 . 5.070 3.436 2.698 3.909 . 0 0 "[ . 1 . 2]" 1
225 1 13 MET HA 1 53 TYR H 1.800 . 5.700 4.838 4.172 5.667 . 0 0 "[ . 1 . 2]" 1
226 1 13 MET HA 1 54 ALA HA 1.800 . 5.120 4.009 3.280 4.473 . 0 0 "[ . 1 . 2]" 1
227 1 13 MET HA 1 54 ALA MB 1.800 . 4.530 3.749 3.156 4.134 . 0 0 "[ . 1 . 2]" 1
228 1 13 MET QB 1 24 ILE MD 1.800 . 4.000 3.858 3.392 4.090 0.090 15 0 "[ . 1 . 2]" 1
229 1 13 MET QB 1 24 ILE QG 1.800 . 5.520 3.086 2.640 5.331 . 0 0 "[ . 1 . 2]" 1
230 1 13 MET QB 1 25 GLY QA 1.800 . 5.870 3.337 2.964 3.681 . 0 0 "[ . 1 . 2]" 1
231 1 13 MET QB 1 27 LEU HG 1.800 . 4.500 2.386 2.297 2.576 . 0 0 "[ . 1 . 2]" 1
232 1 13 MET HB3 1 24 ILE H 1.800 . 5.940 3.788 2.931 3.971 . 0 0 "[ . 1 . 2]" 1
233 1 13 MET HB3 1 25 GLY H 1.800 . 4.770 3.264 2.788 3.466 . 0 0 "[ . 1 . 2]" 1
234 1 13 MET HB3 1 27 LEU MD1 1.800 . 5.130 4.012 3.617 4.497 . 0 0 "[ . 1 . 2]" 1
235 1 13 MET HB2 1 24 ILE H 1.800 . 5.940 5.396 4.643 5.609 . 0 0 "[ . 1 . 2]" 1
236 1 13 MET HB2 1 25 GLY H 1.800 . 4.770 4.720 4.221 4.844 0.074 17 0 "[ . 1 . 2]" 1
237 1 13 MET HB2 1 27 LEU MD1 1.800 . 5.130 2.557 2.250 2.964 . 0 0 "[ . 1 . 2]" 1
238 1 13 MET ME 1 15 SER H 1.800 . 6.050 5.460 5.064 5.835 . 0 0 "[ . 1 . 2]" 1
239 1 13 MET ME 1 24 ILE MD 1.800 . 3.730 2.209 1.914 3.172 . 0 0 "[ . 1 . 2]" 1
240 1 13 MET ME 1 24 ILE QG 1.800 . 5.040 2.486 2.157 4.261 . 0 0 "[ . 1 . 2]" 1
241 1 13 MET ME 1 24 ILE MG 1.800 . 4.480 4.284 3.303 4.519 0.039 3 0 "[ . 1 . 2]" 1
242 1 13 MET ME 1 27 LEU MD1 1.800 . 4.540 4.163 3.520 4.606 0.066 20 0 "[ . 1 . 2]" 1
243 1 13 MET ME 1 27 LEU MD2 1.800 . 4.570 3.653 3.130 4.070 . 0 0 "[ . 1 . 2]" 1
244 1 13 MET ME 1 45 ILE MD 1.800 . 5.330 4.085 2.663 4.486 . 0 0 "[ . 1 . 2]" 1
245 1 13 MET ME 1 45 ILE QG 1.800 . 4.090 3.987 2.495 4.180 0.090 6 0 "[ . 1 . 2]" 1
246 1 13 MET ME 1 47 PHE HB3 1.800 . 4.660 3.450 3.228 3.791 . 0 0 "[ . 1 . 2]" 1
247 1 13 MET ME 1 47 PHE HB2 1.800 . 4.660 4.553 4.026 4.743 0.083 5 0 "[ . 1 . 2]" 1
248 1 13 MET ME 1 47 PHE QD 1.800 . 5.330 4.283 3.814 4.882 . 0 0 "[ . 1 . 2]" 1
249 1 13 MET ME 1 47 PHE H 1.800 . 5.000 4.198 3.703 4.628 . 0 0 "[ . 1 . 2]" 1
250 1 13 MET ME 1 50 LYS QD 1.800 . 4.550 3.563 2.233 4.606 0.056 5 0 "[ . 1 . 2]" 1
251 1 13 MET ME 1 51 VAL HA 1.800 . 5.160 4.405 3.733 4.984 . 0 0 "[ . 1 . 2]" 1
252 1 13 MET ME 1 52 GLY HA3 1.800 . 4.870 2.504 2.239 3.133 . 0 0 "[ . 1 . 2]" 1
253 1 13 MET ME 1 52 GLY HA2 1.800 . 4.870 3.768 3.123 4.390 . 0 0 "[ . 1 . 2]" 1
254 1 13 MET ME 1 52 GLY H 1.800 . 4.230 3.764 3.007 4.158 . 0 0 "[ . 1 . 2]" 1
255 1 13 MET ME 1 53 TYR H 1.800 . 5.310 4.139 3.594 4.796 . 0 0 "[ . 1 . 2]" 1
256 1 13 MET ME 1 13 MET QG 1.800 . 3.740 2.210 2.133 2.252 . 0 0 "[ . 1 . 2]" 1
257 1 13 MET QG 1 14 ARG H 1.800 . 4.520 2.271 2.082 2.511 . 0 0 "[ . 1 . 2]" 1
258 1 13 MET QG 1 24 ILE MD 1.800 . 4.160 3.111 2.557 4.100 . 0 0 "[ . 1 . 2]" 1
259 1 13 MET QG 1 27 LEU MD1 1.800 . 4.360 2.906 2.564 3.449 . 0 0 "[ . 1 . 2]" 1
260 1 13 MET QG 1 27 LEU MD2 1.800 . 4.730 3.920 3.130 4.442 . 0 0 "[ . 1 . 2]" 1
261 1 13 MET QG 1 27 LEU HG 1.800 . 4.430 4.209 3.612 4.451 0.021 20 0 "[ . 1 . 2]" 1
262 1 13 MET QG 1 45 ILE MD 1.800 . 4.170 3.008 2.274 3.577 . 0 0 "[ . 1 . 2]" 1
263 1 13 MET QG 1 52 GLY HA3 1.800 . 5.520 2.828 2.319 3.466 . 0 0 "[ . 1 . 2]" 1
264 1 13 MET QG 1 52 GLY HA2 1.800 . 5.520 4.161 3.417 4.910 . 0 0 "[ . 1 . 2]" 1
265 1 13 MET QG 1 53 TYR H 1.800 . 4.260 2.952 2.414 3.784 . 0 0 "[ . 1 . 2]" 1
266 1 13 MET QG 1 54 ALA MB 1.800 . 4.510 3.320 2.615 4.107 . 0 0 "[ . 1 . 2]" 1
267 1 13 MET H 1 13 MET HB3 1.800 . 3.900 2.597 2.528 2.680 . 0 0 "[ . 1 . 2]" 1
268 1 13 MET H 1 13 MET HB2 1.800 . 3.900 2.801 2.660 3.001 . 0 0 "[ . 1 . 2]" 1
269 1 13 MET H 1 13 MET QG 1.800 . 4.990 4.028 3.985 4.146 . 0 0 "[ . 1 . 2]" 1
270 1 13 MET H 1 14 ARG H 1.800 . 5.490 4.534 4.475 4.610 . 0 0 "[ . 1 . 2]" 1
271 1 13 MET H 1 23 VAL MG1 1.800 . 5.560 5.068 4.839 5.331 . 0 0 "[ . 1 . 2]" 1
272 1 13 MET H 1 23 VAL MG2 1.800 . 3.790 2.321 2.052 2.602 . 0 0 "[ . 1 . 2]" 1
273 1 13 MET H 1 25 GLY H 1.800 . 4.460 3.266 3.074 3.421 . 0 0 "[ . 1 . 2]" 1
274 1 13 MET H 1 26 THR HA 1.800 . 4.440 3.043 2.638 3.536 . 0 0 "[ . 1 . 2]" 1
275 1 14 ARG HA 1 15 SER H 1.800 . 3.380 2.274 2.155 2.354 . 0 0 "[ . 1 . 2]" 1
276 1 14 ARG HA 1 16 GLY H 1.800 . 5.160 3.931 3.642 4.312 . 0 0 "[ . 1 . 2]" 1
277 1 14 ARG HA 1 23 VAL HA 1.800 . 3.730 3.115 2.776 3.428 . 0 0 "[ . 1 . 2]" 1
278 1 14 ARG HA 1 23 VAL MG2 1.800 . 4.720 4.373 4.069 4.704 . 0 0 "[ . 1 . 2]" 1
279 1 14 ARG HA 1 24 ILE QG 1.800 . 4.760 2.994 2.361 4.167 . 0 0 "[ . 1 . 2]" 1
280 1 14 ARG HA 1 24 ILE MG 1.800 . 5.870 3.788 2.707 5.775 . 0 0 "[ . 1 . 2]" 1
281 1 14 ARG HA 1 24 ILE H 1.800 . 3.990 3.282 2.756 3.927 . 0 0 "[ . 1 . 2]" 1
282 1 14 ARG QB 1 14 ARG HD3 1.800 . 4.470 2.592 2.324 3.294 . 0 0 "[ . 1 . 2]" 1
283 1 14 ARG QB 1 14 ARG HD2 1.800 . 4.470 2.532 2.103 3.396 . 0 0 "[ . 1 . 2]" 1
284 1 14 ARG QB 1 15 SER H 1.800 . 3.840 2.712 2.467 3.086 . 0 0 "[ . 1 . 2]" 1
285 1 14 ARG QB 1 16 GLY H 1.800 . 3.830 2.478 2.184 3.074 . 0 0 "[ . 1 . 2]" 1
286 1 14 ARG QB 1 18 GLY H 1.800 . 5.210 3.540 3.014 4.153 . 0 0 "[ . 1 . 2]" 1
287 1 14 ARG QB 1 21 TYR HB3 1.800 . 5.240 3.639 2.864 5.012 . 0 0 "[ . 1 . 2]" 1
288 1 14 ARG QB 1 21 TYR HB2 1.800 . 5.240 2.816 2.313 4.103 . 0 0 "[ . 1 . 2]" 1
289 1 14 ARG QB 1 21 TYR H 1.800 . 6.040 4.380 3.738 5.573 . 0 0 "[ . 1 . 2]" 1
290 1 14 ARG QB 1 42 TRP HZ3 1.800 . 5.070 3.477 2.189 4.955 . 0 0 "[ . 1 . 2]" 1
291 1 14 ARG QB 1 53 TYR QB 1.800 . 5.740 3.058 2.523 3.447 . 0 0 "[ . 1 . 2]" 1
292 1 14 ARG QB 1 53 TYR H 1.800 . 5.290 3.608 3.313 4.047 . 0 0 "[ . 1 . 2]" 1
293 1 14 ARG QD 1 18 GLY H 1.800 . 5.050 3.587 2.708 4.859 . 0 0 "[ . 1 . 2]" 1
294 1 14 ARG QD 1 23 VAL MG2 1.800 . 5.820 5.450 3.932 5.945 0.125 9 0 "[ . 1 . 2]" 1
295 1 14 ARG QD 1 42 TRP HH2 1.800 . 4.380 3.452 2.361 4.606 0.226 5 0 "[ . 1 . 2]" 1
296 1 14 ARG QD 1 42 TRP HZ3 1.800 . 5.790 3.190 2.284 4.728 . 0 0 "[ . 1 . 2]" 1
297 1 14 ARG HD3 1 19 SER HA 1.800 . 4.820 2.787 2.110 4.437 . 0 0 "[ . 1 . 2]" 1
298 1 14 ARG HD2 1 19 SER HA 1.800 . 4.820 3.259 2.349 4.719 . 0 0 "[ . 1 . 2]" 1
299 1 14 ARG QG 1 15 SER H 1.800 . 4.960 3.936 3.271 4.553 . 0 0 "[ . 1 . 2]" 1
300 1 14 ARG QG 1 18 GLY H 1.800 . 5.680 4.725 2.913 5.801 0.121 13 0 "[ . 1 . 2]" 1
301 1 14 ARG QG 1 23 VAL HA 1.800 . 4.610 3.354 2.192 4.653 0.043 10 0 "[ . 1 . 2]" 1
302 1 14 ARG QG 1 24 ILE H 1.800 . 5.870 4.527 3.470 5.653 . 0 0 "[ . 1 . 2]" 1
303 1 14 ARG QG 1 42 TRP HH2 1.800 . 5.750 4.498 2.443 5.559 . 0 0 "[ . 1 . 2]" 1
304 1 14 ARG QG 1 42 TRP HZ3 1.800 . 4.920 3.803 2.249 4.994 0.074 19 0 "[ . 1 . 2]" 1
305 1 14 ARG HG3 1 16 GLY H 1.800 . 6.050 5.251 4.171 6.010 . 0 0 "[ . 1 . 2]" 1
306 1 14 ARG HG2 1 16 GLY H 1.800 . 6.050 4.949 3.987 5.457 . 0 0 "[ . 1 . 2]" 1
307 1 14 ARG H 1 14 ARG QG 1.800 . 4.470 2.887 2.380 3.768 . 0 0 "[ . 1 . 2]" 1
308 1 14 ARG H 1 42 TRP HE3 1.800 . 6.050 5.590 4.813 6.137 0.087 19 0 "[ . 1 . 2]" 1
309 1 14 ARG H 1 53 TYR QB 1.800 . 5.540 4.087 3.579 4.618 . 0 0 "[ . 1 . 2]" 1
310 1 14 ARG H 1 53 TYR H 1.800 . 3.960 3.070 2.407 3.651 . 0 0 "[ . 1 . 2]" 1
311 1 14 ARG H 1 54 ALA HA 1.800 . 6.030 3.893 3.131 4.368 . 0 0 "[ . 1 . 2]" 1
312 1 14 ARG H 1 54 ALA MB 1.800 . 5.810 4.258 3.633 4.734 . 0 0 "[ . 1 . 2]" 1
313 1 15 SER HA 1 24 ILE MD 1.800 . 3.870 2.408 2.048 2.918 . 0 0 "[ . 1 . 2]" 1
314 1 15 SER HA 1 24 ILE MG 1.800 . 4.980 3.951 3.451 4.982 0.002 9 0 "[ . 1 . 2]" 1
315 1 15 SER HA 1 52 GLY HA3 1.800 . 5.470 3.505 2.859 4.281 . 0 0 "[ . 1 . 2]" 1
316 1 15 SER HA 1 52 GLY HA2 1.800 . 5.470 2.756 2.423 3.049 . 0 0 "[ . 1 . 2]" 1
317 1 15 SER HA 1 53 TYR QD 1.800 . 5.030 3.493 2.801 4.103 . 0 0 "[ . 1 . 2]" 1
318 1 15 SER QB 1 24 ILE MD 1.800 . 3.630 2.400 2.057 3.193 . 0 0 "[ . 1 . 2]" 1
319 1 15 SER QB 1 24 ILE QG 1.800 . 4.950 3.582 2.169 4.316 . 0 0 "[ . 1 . 2]" 1
320 1 15 SER QB 1 24 ILE MG 1.800 . 3.960 2.600 2.066 4.211 0.251 14 0 "[ . 1 . 2]" 1
321 1 15 SER H 1 15 SER QB 1.800 . 3.540 2.469 2.211 2.648 . 0 0 "[ . 1 . 2]" 1
322 1 15 SER H 1 16 GLY H 1.800 . 4.180 2.509 2.296 2.764 . 0 0 "[ . 1 . 2]" 1
323 1 15 SER H 1 21 TYR HB3 1.800 . 5.320 2.956 2.427 4.395 . 0 0 "[ . 1 . 2]" 1
324 1 15 SER H 1 21 TYR HB2 1.800 . 5.320 3.552 3.045 4.435 . 0 0 "[ . 1 . 2]" 1
325 1 15 SER H 1 22 GLY H 1.800 . 5.550 5.530 5.066 5.690 0.140 15 0 "[ . 1 . 2]" 1
326 1 15 SER H 1 24 ILE MD 1.800 . 4.200 3.317 1.900 3.828 . 0 0 "[ . 1 . 2]" 1
327 1 16 GLY QA 1 17 PRO QD 1.800 . 3.990 2.034 2.014 2.057 . 0 0 "[ . 1 . 2]" 1
328 1 16 GLY QA 1 17 PRO QG 1.800 . 5.160 3.756 3.716 3.796 . 0 0 "[ . 1 . 2]" 1
329 1 16 GLY QA 1 21 TYR QD 1.800 . 4.400 3.310 2.422 4.024 . 0 0 "[ . 1 . 2]" 1
330 1 16 GLY QA 1 21 TYR QE 1.800 . 4.410 3.426 2.826 4.175 . 0 0 "[ . 1 . 2]" 1
331 1 16 GLY HA3 1 17 PRO QD 1.800 . 4.400 2.333 2.188 2.564 . 0 0 "[ . 1 . 2]" 1
332 1 16 GLY HA3 1 53 TYR QD 1.800 . 4.910 4.074 3.902 4.565 . 0 0 "[ . 1 . 2]" 1
333 1 16 GLY HA3 1 53 TYR QE 1.800 . 5.620 4.530 4.231 4.929 . 0 0 "[ . 1 . 2]" 1
334 1 16 GLY HA2 1 17 PRO QD 1.800 . 4.400 2.262 2.138 2.370 . 0 0 "[ . 1 . 2]" 1
335 1 16 GLY HA2 1 53 TYR QD 1.800 . 4.910 2.609 2.344 3.243 . 0 0 "[ . 1 . 2]" 1
336 1 16 GLY HA2 1 53 TYR QE 1.800 . 5.620 3.109 2.662 3.719 . 0 0 "[ . 1 . 2]" 1
337 1 16 GLY H 1 17 PRO QD 1.800 . 6.050 4.289 4.192 4.408 . 0 0 "[ . 1 . 2]" 1
338 1 16 GLY H 1 21 TYR HB3 1.800 . 4.290 3.184 2.047 4.396 0.106 18 0 "[ . 1 . 2]" 1
339 1 16 GLY H 1 21 TYR HB2 1.800 . 4.290 3.211 2.583 4.115 . 0 0 "[ . 1 . 2]" 1
340 1 16 GLY H 1 53 TYR QB 1.800 . 5.190 3.727 3.016 4.711 . 0 0 "[ . 1 . 2]" 1
341 1 17 PRO HA 1 18 GLY H 1.800 . 3.370 2.596 2.231 3.311 . 0 0 "[ . 1 . 2]" 1
342 1 17 PRO HA 1 42 TRP QB 1.800 . 4.690 3.358 3.058 3.673 . 0 0 "[ . 1 . 2]" 1
343 1 17 PRO HA 1 42 TRP HE1 1.800 . 6.050 4.664 3.759 5.934 . 0 0 "[ . 1 . 2]" 1
344 1 17 PRO HA 1 42 TRP HE3 1.800 . 5.400 3.456 2.748 4.309 . 0 0 "[ . 1 . 2]" 1
345 1 17 PRO HA 1 53 TYR HB3 1.800 . 5.040 3.586 2.756 4.259 . 0 0 "[ . 1 . 2]" 1
346 1 17 PRO HA 1 53 TYR HB2 1.800 . 5.040 3.568 2.426 4.331 . 0 0 "[ . 1 . 2]" 1
347 1 17 PRO QB 1 39 VAL HB 1.800 . 5.030 4.273 3.427 4.925 . 0 0 "[ . 1 . 2]" 1
348 1 17 PRO QB 1 39 VAL MG1 1.800 . 5.040 3.788 3.090 4.309 . 0 0 "[ . 1 . 2]" 1
349 1 17 PRO QB 1 40 ASP QB 1.800 . 5.570 2.829 2.183 3.417 . 0 0 "[ . 1 . 2]" 1
350 1 17 PRO QB 1 42 TRP QB 1.800 . 5.210 2.452 2.198 2.754 . 0 0 "[ . 1 . 2]" 1
351 1 17 PRO QB 1 53 TYR QD 1.800 . 6.050 3.943 2.954 4.702 . 0 0 "[ . 1 . 2]" 1
352 1 17 PRO QB 1 53 TYR QE 1.800 . 6.050 4.768 3.112 5.362 . 0 0 "[ . 1 . 2]" 1
353 1 17 PRO HB3 1 42 TRP HD1 1.800 . 5.010 3.574 2.653 4.784 . 0 0 "[ . 1 . 2]" 1
354 1 17 PRO HB2 1 42 TRP HD1 1.800 . 5.010 3.636 2.849 4.806 . 0 0 "[ . 1 . 2]" 1
355 1 17 PRO QD 1 39 VAL MG1 1.800 . 5.330 4.421 3.776 4.949 . 0 0 "[ . 1 . 2]" 1
356 1 17 PRO HD3 1 21 TYR QE 1.800 . 5.410 4.829 4.162 5.460 0.050 6 0 "[ . 1 . 2]" 1
357 1 17 PRO HD3 1 53 TYR QD 1.800 . 6.050 3.910 3.020 4.731 . 0 0 "[ . 1 . 2]" 1
358 1 17 PRO HD3 1 53 TYR QE 1.800 . 5.860 3.869 2.668 4.542 . 0 0 "[ . 1 . 2]" 1
359 1 17 PRO HD2 1 21 TYR QE 1.800 . 5.410 3.409 2.612 4.011 . 0 0 "[ . 1 . 2]" 1
360 1 17 PRO HD2 1 53 TYR QD 1.800 . 6.050 5.111 4.264 5.902 . 0 0 "[ . 1 . 2]" 1
361 1 17 PRO HD2 1 53 TYR QE 1.800 . 5.860 5.192 4.110 5.896 0.036 18 0 "[ . 1 . 2]" 1
362 1 17 PRO QG 1 39 VAL MG1 1.800 . 4.650 3.068 2.355 3.532 . 0 0 "[ . 1 . 2]" 1
363 1 18 GLY QA 1 20 ASN H 1.800 . 4.970 2.954 2.841 3.030 . 0 0 "[ . 1 . 2]" 1
364 1 18 GLY QA 1 21 TYR QE 1.800 . 4.550 2.778 2.327 3.410 . 0 0 "[ . 1 . 2]" 1
365 1 18 GLY QA 1 21 TYR H 1.800 . 5.640 3.817 3.515 3.999 . 0 0 "[ . 1 . 2]" 1
366 1 18 GLY QA 1 21 TYR QD 1.800 . 5.160 2.424 2.305 2.816 . 0 0 "[ . 1 . 2]" 1
367 1 18 GLY QA 1 42 TRP HZ2 1.800 . 5.330 3.901 2.780 4.977 . 0 0 "[ . 1 . 2]" 1
368 1 18 GLY QA 1 42 TRP HE1 1.800 . 5.980 4.909 3.700 5.973 . 0 0 "[ . 1 . 2]" 1
369 1 18 GLY H 1 21 TYR QB 1.800 . 5.650 3.909 3.416 4.415 . 0 0 "[ . 1 . 2]" 1
370 1 18 GLY H 1 42 TRP HH2 1.800 . 5.820 4.649 3.470 5.789 . 0 0 "[ . 1 . 2]" 1
371 1 18 GLY H 1 42 TRP HZ3 1.800 . 5.620 4.693 3.466 5.670 0.050 13 0 "[ . 1 . 2]" 1
372 1 19 SER HA 1 42 TRP HH2 1.800 . 4.690 4.387 3.227 4.994 0.304 17 0 "[ . 1 . 2]" 1
373 1 19 SER QB 1 42 TRP HZ2 1.800 . 5.130 4.798 3.778 5.158 0.028 9 0 "[ . 1 . 2]" 1
374 1 19 SER H 1 19 SER QB 1.800 . 3.830 2.385 2.236 2.563 . 0 0 "[ . 1 . 2]" 1
375 1 19 SER H 1 20 ASN H 1.800 . 4.370 2.548 2.399 2.671 . 0 0 "[ . 1 . 2]" 1
376 1 19 SER H 1 42 TRP HH2 1.800 . 5.790 4.459 3.084 5.252 . 0 0 "[ . 1 . 2]" 1
377 1 19 SER H 1 42 TRP HZ2 1.800 . 4.580 4.424 3.455 4.660 0.080 13 0 "[ . 1 . 2]" 1
378 1 20 ASN H 1 20 ASN QB 1.800 . 3.870 2.412 2.264 2.808 . 0 0 "[ . 1 . 2]" 1
379 1 20 ASN H 1 21 TYR QD 1.800 . 5.240 3.437 2.816 4.057 . 0 0 "[ . 1 . 2]" 1
380 1 20 ASN H 1 21 TYR H 1.800 . 4.020 2.566 2.406 2.696 . 0 0 "[ . 1 . 2]" 1
381 1 21 TYR HA 1 21 TYR QD 1.800 . 4.220 2.761 2.341 3.035 . 0 0 "[ . 1 . 2]" 1
382 1 21 TYR HB3 1 22 GLY H 1.800 . 5.010 4.021 3.466 4.249 . 0 0 "[ . 1 . 2]" 1
383 1 21 TYR HB2 1 22 GLY H 1.800 . 5.010 3.411 2.628 3.759 . 0 0 "[ . 1 . 2]" 1
384 1 21 TYR QD 1 22 GLY H 1.800 . 5.180 4.569 4.090 4.846 . 0 0 "[ . 1 . 2]" 1
385 1 21 TYR H 1 21 TYR HB3 1.800 . 4.180 3.568 3.515 3.591 . 0 0 "[ . 1 . 2]" 1
386 1 21 TYR H 1 21 TYR HB2 1.800 . 4.180 2.300 2.215 2.455 . 0 0 "[ . 1 . 2]" 1
387 1 21 TYR H 1 21 TYR QD 1.800 . 3.790 2.620 1.840 3.231 . 0 0 "[ . 1 . 2]" 1
388 1 21 TYR H 1 21 TYR QE 1.800 . 5.370 4.735 4.066 5.112 . 0 0 "[ . 1 . 2]" 1
389 1 22 GLY QA 1 23 VAL MG1 1.800 . 4.690 3.552 3.403 3.664 . 0 0 "[ . 1 . 2]" 1
390 1 22 GLY QA 1 23 VAL H 1.800 . 3.110 2.279 2.135 2.299 . 0 0 "[ . 1 . 2]" 1
391 1 23 VAL HA 1 23 VAL MG2 1.800 . 3.450 2.310 2.250 2.366 . 0 0 "[ . 1 . 2]" 1
392 1 23 VAL HA 1 24 ILE HA 1.800 . 4.920 4.421 4.402 4.435 . 0 0 "[ . 1 . 2]" 1
393 1 23 VAL HA 1 24 ILE QG 1.800 . 5.870 3.610 3.526 3.907 . 0 0 "[ . 1 . 2]" 1
394 1 23 VAL HA 1 24 ILE H 1.800 . 3.120 2.157 2.140 2.195 . 0 0 "[ . 1 . 2]" 1
395 1 23 VAL HA 1 25 GLY H 1.800 . 5.020 3.490 3.445 3.658 . 0 0 "[ . 1 . 2]" 1
396 1 23 VAL HB 1 24 ILE H 1.800 . 4.990 4.233 4.040 4.309 . 0 0 "[ . 1 . 2]" 1
397 1 23 VAL HB 1 25 GLY H 1.800 . 5.810 4.568 4.451 4.649 . 0 0 "[ . 1 . 2]" 1
398 1 23 VAL MG1 1 24 ILE H 1.800 . 4.310 3.982 3.860 4.071 . 0 0 "[ . 1 . 2]" 1
399 1 23 VAL MG1 1 25 GLY QA 1.800 . 5.080 4.691 3.887 5.036 . 0 0 "[ . 1 . 2]" 1
400 1 23 VAL MG1 1 25 GLY H 1.800 . 4.260 3.847 3.514 4.077 . 0 0 "[ . 1 . 2]" 1
401 1 23 VAL MG2 1 24 ILE HA 1.800 . 4.630 3.858 3.706 3.983 . 0 0 "[ . 1 . 2]" 1
402 1 23 VAL MG2 1 24 ILE H 1.800 . 3.600 2.631 2.319 2.744 . 0 0 "[ . 1 . 2]" 1
403 1 23 VAL MG2 1 25 GLY H 1.800 . 3.170 1.985 1.757 2.109 0.043 14 0 "[ . 1 . 2]" 1
404 1 23 VAL H 1 23 VAL MG1 1.800 . 3.320 1.827 1.772 1.943 0.028 13 0 "[ . 1 . 2]" 1
405 1 23 VAL H 1 23 VAL MG2 1.800 . 4.290 3.796 3.739 3.856 . 0 0 "[ . 1 . 2]" 1
406 1 24 ILE HA 1 24 ILE MD 1.800 . 4.830 4.084 3.517 4.137 . 0 0 "[ . 1 . 2]" 1
407 1 24 ILE HA 1 24 ILE MG 1.800 . 3.530 2.270 2.236 2.310 . 0 0 "[ . 1 . 2]" 1
408 1 24 ILE HB 1 24 ILE MD 1.800 . 3.550 2.330 2.222 2.361 . 0 0 "[ . 1 . 2]" 1
409 1 24 ILE HB 1 25 GLY H 1.800 . 4.850 4.102 3.189 4.250 . 0 0 "[ . 1 . 2]" 1
410 1 24 ILE MD 1 50 LYS QD 1.800 . 4.950 3.458 2.299 4.597 . 0 0 "[ . 1 . 2]" 1
411 1 24 ILE MD 1 50 LYS QG 1.800 . 4.990 4.367 2.747 5.042 0.052 18 0 "[ . 1 . 2]" 1
412 1 24 ILE MD 1 52 GLY HA3 1.800 . 4.530 3.014 2.517 4.095 . 0 0 "[ . 1 . 2]" 1
413 1 24 ILE MD 1 52 GLY HA2 1.800 . 4.530 3.407 2.801 3.979 . 0 0 "[ . 1 . 2]" 1
414 1 24 ILE MD 1 53 TYR H 1.800 . 5.130 4.110 3.624 4.726 . 0 0 "[ . 1 . 2]" 1
415 1 24 ILE QG 1 25 GLY H 1.800 . 4.570 2.940 2.631 4.400 . 0 0 "[ . 1 . 2]" 1
416 1 24 ILE MD 1 24 ILE MG 1.800 . 3.700 1.980 1.838 3.114 . 0 0 "[ . 1 . 2]" 1
417 1 24 ILE MG 1 25 GLY H 1.800 . 4.700 4.136 3.841 4.217 . 0 0 "[ . 1 . 2]" 1
418 1 24 ILE H 1 24 ILE MD 1.800 . 4.850 3.583 1.788 3.762 0.012 9 0 "[ . 1 . 2]" 1
419 1 24 ILE H 1 24 ILE QG 1.800 . 4.390 2.002 1.874 2.940 . 0 0 "[ . 1 . 2]" 1
420 1 24 ILE H 1 24 ILE MG 1.800 . 4.470 2.787 2.567 3.851 . 0 0 "[ . 1 . 2]" 1
421 1 24 ILE H 1 25 GLY H 1.800 . 3.280 2.132 1.956 2.228 . 0 0 "[ . 1 . 2]" 1
422 1 26 THR HA 1 26 THR MG 1.800 . 3.770 2.331 2.273 2.423 . 0 0 "[ . 1 . 2]" 1
423 1 26 THR HA 1 27 LEU QB 1.800 . 4.990 4.410 4.314 4.484 . 0 0 "[ . 1 . 2]" 1
424 1 26 THR HA 1 27 LEU H 1.800 . 3.080 2.244 2.144 2.339 . 0 0 "[ . 1 . 2]" 1
425 1 26 THR HB 1 27 LEU H 1.800 . 4.220 3.311 2.585 4.153 . 0 0 "[ . 1 . 2]" 1
426 1 26 THR MG 1 27 LEU H 1.800 . 4.490 3.228 2.125 3.875 . 0 0 "[ . 1 . 2]" 1
427 1 26 THR H 1 26 THR MG 1.800 . 5.180 3.279 2.719 3.877 . 0 0 "[ . 1 . 2]" 1
428 1 27 LEU HA 1 27 LEU MD1 1.800 . 5.160 3.828 3.810 3.839 . 0 0 "[ . 1 . 2]" 1
429 1 27 LEU HA 1 27 LEU MD2 1.800 . 3.640 2.140 2.117 2.156 . 0 0 "[ . 1 . 2]" 1
430 1 27 LEU HA 1 27 LEU HG 1.800 . 4.160 3.096 3.013 3.142 . 0 0 "[ . 1 . 2]" 1
431 1 27 LEU HA 1 28 ARG H 1.800 . 3.070 2.252 2.187 2.374 . 0 0 "[ . 1 . 2]" 1
432 1 27 LEU QB 1 31 ASP QB 1.800 . 5.010 3.381 3.038 4.111 . 0 0 "[ . 1 . 2]" 1
433 1 27 LEU HB3 1 27 LEU MD1 1.800 . 3.830 2.390 2.311 2.434 . 0 0 "[ . 1 . 2]" 1
434 1 27 LEU HB3 1 27 LEU MD2 1.800 . 4.430 2.284 2.263 2.306 . 0 0 "[ . 1 . 2]" 1
435 1 27 LEU HB3 1 28 ARG H 1.800 . 4.700 2.862 2.560 3.186 . 0 0 "[ . 1 . 2]" 1
436 1 27 LEU HB2 1 27 LEU MD1 1.800 . 3.830 2.318 2.265 2.400 . 0 0 "[ . 1 . 2]" 1
437 1 27 LEU HB2 1 27 LEU MD2 1.800 . 4.430 3.209 3.199 3.218 . 0 0 "[ . 1 . 2]" 1
438 1 27 LEU HB2 1 28 ARG H 1.800 . 4.700 3.861 3.611 4.078 . 0 0 "[ . 1 . 2]" 1
439 1 27 LEU MD1 1 45 ILE MD 1.800 . 3.790 2.200 1.957 2.556 . 0 0 "[ . 1 . 2]" 1
440 1 27 LEU MD1 1 54 ALA MB 1.800 . 3.960 2.880 2.389 3.082 . 0 0 "[ . 1 . 2]" 1
441 1 27 LEU MD1 1 59 ILE MD 1.800 . 4.770 3.626 3.078 4.104 . 0 0 "[ . 1 . 2]" 1
442 1 27 LEU MD2 1 28 ARG H 1.800 . 4.690 3.507 3.404 3.625 . 0 0 "[ . 1 . 2]" 1
443 1 27 LEU MD2 1 31 ASP QB 1.800 . 4.370 3.808 3.425 4.158 . 0 0 "[ . 1 . 2]" 1
444 1 27 LEU MD2 1 33 VAL MG1 1.800 . 3.760 3.369 3.016 3.806 0.046 14 0 "[ . 1 . 2]" 1
445 1 27 LEU MD2 1 45 ILE MD 1.800 . 4.150 3.079 2.438 3.597 . 0 0 "[ . 1 . 2]" 1
446 1 27 LEU MD2 1 47 PHE HB3 1.800 . 5.160 3.512 3.018 4.030 . 0 0 "[ . 1 . 2]" 1
447 1 27 LEU MD2 1 47 PHE HB2 1.800 . 5.160 3.606 3.298 4.442 . 0 0 "[ . 1 . 2]" 1
448 1 27 LEU MD2 1 47 PHE QD 1.800 . 4.390 3.489 2.813 4.062 . 0 0 "[ . 1 . 2]" 1
449 1 27 LEU MD2 1 47 PHE QE 1.800 . 4.720 4.042 3.371 4.726 0.006 19 0 "[ . 1 . 2]" 1
450 1 27 LEU MD2 1 54 ALA MB 1.800 . 4.960 4.844 4.130 5.051 0.091 4 0 "[ . 1 . 2]" 1
451 1 27 LEU MD2 1 59 ILE MD 1.800 . 5.920 5.543 5.103 5.923 0.003 12 0 "[ . 1 . 2]" 1
452 1 27 LEU HG 1 28 ARG H 1.800 . 5.200 5.012 4.946 5.113 . 0 0 "[ . 1 . 2]" 1
453 1 27 LEU H 1 27 LEU MD1 1.800 . 4.630 3.895 3.747 3.995 . 0 0 "[ . 1 . 2]" 1
454 1 27 LEU H 1 27 LEU MD2 1.800 . 5.170 3.598 3.422 3.817 . 0 0 "[ . 1 . 2]" 1
455 1 27 LEU H 1 27 LEU HG 1.800 . 3.710 2.652 2.407 2.892 . 0 0 "[ . 1 . 2]" 1
456 1 28 ARG HA 1 28 ARG QD 1.800 . 4.440 3.701 2.197 4.174 . 0 0 "[ . 1 . 2]" 1
457 1 28 ARG HA 1 28 ARG QG 1.800 . 3.660 2.355 2.165 2.795 . 0 0 "[ . 1 . 2]" 1
458 1 28 ARG HA 1 29 ASN H 1.800 . 3.320 2.346 2.179 2.469 . 0 0 "[ . 1 . 2]" 1
459 1 28 ARG HB3 1 28 ARG QD 1.800 . 4.400 2.631 2.218 3.303 . 0 0 "[ . 1 . 2]" 1
460 1 28 ARG HB3 1 29 ASN H 1.800 . 4.860 2.685 2.191 3.945 . 0 0 "[ . 1 . 2]" 1
461 1 28 ARG HB2 1 28 ARG QD 1.800 . 4.400 2.645 2.153 3.576 . 0 0 "[ . 1 . 2]" 1
462 1 28 ARG HB2 1 29 ASN H 1.800 . 4.860 3.776 3.512 4.148 . 0 0 "[ . 1 . 2]" 1
463 1 28 ARG QG 1 29 ASN H 1.800 . 5.040 3.529 1.813 4.347 . 0 0 "[ . 1 . 2]" 1
464 1 28 ARG H 1 28 ARG QD 1.800 . 5.390 4.183 2.268 4.827 . 0 0 "[ . 1 . 2]" 1
465 1 28 ARG H 1 28 ARG QG 1.800 . 4.690 2.988 2.429 4.098 . 0 0 "[ . 1 . 2]" 1
466 1 28 ARG H 1 29 ASN H 1.800 . 5.530 4.514 4.436 4.616 . 0 0 "[ . 1 . 2]" 1
467 1 28 ARG H 1 31 ASP QB 1.800 . 4.180 3.006 2.453 3.678 . 0 0 "[ . 1 . 2]" 1
468 1 29 ASN HA 1 30 ASN H 1.800 . 3.130 2.297 2.195 2.484 . 0 0 "[ . 1 . 2]" 1
469 1 29 ASN HA 1 31 ASP H 1.800 . 4.690 3.357 2.994 3.649 . 0 0 "[ . 1 . 2]" 1
470 1 29 ASN HB3 1 30 ASN H 1.800 . 5.360 3.748 2.871 4.097 . 0 0 "[ . 1 . 2]" 1
471 1 29 ASN HB2 1 30 ASN H 1.800 . 5.360 2.889 2.279 4.140 . 0 0 "[ . 1 . 2]" 1
472 1 29 ASN H 1 29 ASN QB 1.800 . 3.220 2.465 2.206 2.641 . 0 0 "[ . 1 . 2]" 1
473 1 29 ASN H 1 30 ASN H 1.800 . 6.020 4.615 4.585 4.639 . 0 0 "[ . 1 . 2]" 1
474 1 30 ASN HB3 1 31 ASP H 1.800 . 5.250 4.156 2.973 4.508 . 0 0 "[ . 1 . 2]" 1
475 1 30 ASN HB2 1 31 ASP H 1.800 . 5.250 4.246 3.647 4.604 . 0 0 "[ . 1 . 2]" 1
476 1 30 ASN H 1 31 ASP H 1.800 . 3.730 2.750 2.667 3.103 . 0 0 "[ . 1 . 2]" 1
477 1 31 ASP HA 1 32 LYS H 1.800 . 3.060 2.163 2.138 2.203 . 0 0 "[ . 1 . 2]" 1
478 1 31 ASP QB 1 32 LYS H 1.800 . 4.220 3.649 2.945 3.927 . 0 0 "[ . 1 . 2]" 1
479 1 31 ASP QB 1 33 VAL MG1 1.800 . 4.390 3.232 2.807 3.804 . 0 0 "[ . 1 . 2]" 1
480 1 31 ASP QB 1 47 PHE QE 1.800 . 4.730 4.598 3.978 4.782 0.052 8 0 "[ . 1 . 2]" 1
481 1 31 ASP H 1 31 ASP QB 1.800 . 3.220 2.306 2.224 2.368 . 0 0 "[ . 1 . 2]" 1
482 1 31 ASP H 1 32 LYS QG 1.800 . 5.870 5.225 4.782 5.931 0.061 10 0 "[ . 1 . 2]" 1
483 1 32 LYS HA 1 32 LYS QD 1.800 . 4.700 3.706 2.172 4.478 . 0 0 "[ . 1 . 2]" 1
484 1 32 LYS HA 1 32 LYS QG 1.800 . 3.810 2.492 2.260 3.300 . 0 0 "[ . 1 . 2]" 1
485 1 32 LYS HA 1 33 VAL MG1 1.800 . 4.910 3.643 3.426 3.787 . 0 0 "[ . 1 . 2]" 1
486 1 32 LYS HA 1 33 VAL MG2 1.800 . 4.840 3.485 3.436 3.591 . 0 0 "[ . 1 . 2]" 1
487 1 32 LYS HA 1 33 VAL H 1.800 . 3.040 2.168 2.134 2.229 . 0 0 "[ . 1 . 2]" 1
488 1 32 LYS QB 1 33 VAL H 1.800 . 4.220 3.137 2.823 3.326 . 0 0 "[ . 1 . 2]" 1
489 1 32 LYS HB3 1 32 LYS QE 1.800 . 5.510 3.452 2.236 4.257 . 0 0 "[ . 1 . 2]" 1
490 1 32 LYS HB2 1 32 LYS QE 1.800 . 5.510 3.690 2.243 4.467 . 0 0 "[ . 1 . 2]" 1
491 1 32 LYS QG 1 33 VAL H 1.800 . 5.050 4.090 3.765 4.673 . 0 0 "[ . 1 . 2]" 1
492 1 32 LYS H 1 32 LYS QE 1.800 . 5.640 4.557 3.720 5.384 . 0 0 "[ . 1 . 2]" 1
493 1 32 LYS H 1 32 LYS QG 1.800 . 3.720 2.412 1.796 3.514 0.004 3 0 "[ . 1 . 2]" 1
494 1 32 LYS H 1 33 VAL MG1 1.800 . 5.350 4.111 3.760 4.310 . 0 0 "[ . 1 . 2]" 1
495 1 32 LYS H 1 47 PHE QE 1.800 . 5.270 5.163 4.567 5.299 0.029 17 0 "[ . 1 . 2]" 1
496 1 33 VAL HA 1 33 VAL MG1 1.800 . 3.500 2.295 2.256 2.362 . 0 0 "[ . 1 . 2]" 1
497 1 33 VAL HA 1 33 VAL MG2 1.800 . 4.460 3.194 3.189 3.205 . 0 0 "[ . 1 . 2]" 1
498 1 33 VAL HA 1 34 GLU H 1.800 . 3.300 2.369 2.347 2.389 . 0 0 "[ . 1 . 2]" 1
499 1 33 VAL HA 1 47 PHE QD 1.800 . 4.580 3.890 3.128 4.533 . 0 0 "[ . 1 . 2]" 1
500 1 33 VAL HB 1 34 GLU H 1.800 . 3.480 2.496 2.436 2.553 . 0 0 "[ . 1 . 2]" 1
501 1 33 VAL HB 1 45 ILE HB 1.800 . 3.920 2.417 2.332 2.578 . 0 0 "[ . 1 . 2]" 1
502 1 33 VAL HB 1 45 ILE MD 1.800 . 4.290 3.292 2.781 3.895 . 0 0 "[ . 1 . 2]" 1
503 1 33 VAL HB 1 45 ILE MG 1.800 . 4.370 3.307 2.916 3.698 . 0 0 "[ . 1 . 2]" 1
504 1 33 VAL MG1 1 34 GLU H 1.800 . 4.410 3.694 3.636 3.750 . 0 0 "[ . 1 . 2]" 1
505 1 33 VAL MG1 1 45 ILE HB 1.800 . 5.070 3.319 2.855 3.627 . 0 0 "[ . 1 . 2]" 1
506 1 33 VAL MG1 1 45 ILE MD 1.800 . 3.780 2.523 2.258 2.939 . 0 0 "[ . 1 . 2]" 1
507 1 33 VAL MG1 1 45 ILE MG 1.800 . 4.760 3.716 3.445 3.922 . 0 0 "[ . 1 . 2]" 1
508 1 33 VAL MG1 1 47 PHE HA 1.800 . 5.160 4.150 3.465 4.756 . 0 0 "[ . 1 . 2]" 1
509 1 33 VAL MG1 1 47 PHE HB3 1.800 . 5.160 4.319 3.889 5.046 . 0 0 "[ . 1 . 2]" 1
510 1 33 VAL MG1 1 47 PHE HB2 1.800 . 5.160 2.940 2.549 3.693 . 0 0 "[ . 1 . 2]" 1
511 1 33 VAL MG1 1 47 PHE QD 1.800 . 4.000 2.452 2.130 3.001 . 0 0 "[ . 1 . 2]" 1
512 1 33 VAL MG1 1 47 PHE QE 1.800 . 4.640 3.740 3.222 4.329 . 0 0 "[ . 1 . 2]" 1
513 1 33 VAL MG2 1 34 GLU H 1.800 . 4.590 3.514 3.441 3.599 . 0 0 "[ . 1 . 2]" 1
514 1 33 VAL MG2 1 35 ILE HG13 1.800 . 4.730 3.135 2.817 4.345 . 0 0 "[ . 1 . 2]" 1
515 1 33 VAL MG2 1 35 ILE HG12 1.800 . 4.730 3.631 3.148 3.830 . 0 0 "[ . 1 . 2]" 1
516 1 33 VAL MG2 1 35 ILE H 1.800 . 5.580 4.375 4.157 4.713 . 0 0 "[ . 1 . 2]" 1
517 1 33 VAL MG2 1 45 ILE HB 1.800 . 4.580 2.832 2.101 3.393 . 0 0 "[ . 1 . 2]" 1
518 1 33 VAL MG2 1 45 ILE MD 1.800 . 3.320 2.627 2.112 3.077 . 0 0 "[ . 1 . 2]" 1
519 1 33 VAL MG2 1 45 ILE MG 1.800 . 3.380 2.264 1.964 2.470 . 0 0 "[ . 1 . 2]" 1
520 1 33 VAL H 1 33 VAL MG1 1.800 . 3.880 2.979 2.865 3.087 . 0 0 "[ . 1 . 2]" 1
521 1 33 VAL H 1 33 VAL MG2 1.800 . 3.420 2.091 2.019 2.195 . 0 0 "[ . 1 . 2]" 1
522 1 34 GLU HA 1 35 ILE H 1.800 . 3.250 2.150 2.128 2.199 . 0 0 "[ . 1 . 2]" 1
523 1 34 GLU QB 1 46 ARG H 1.800 . 4.020 3.466 3.235 3.761 . 0 0 "[ . 1 . 2]" 1
524 1 34 GLU QG 1 35 ILE H 1.800 . 4.370 3.366 2.368 4.519 0.149 16 0 "[ . 1 . 2]" 1
525 1 34 GLU H 1 34 GLU QB 1.800 . 3.560 2.380 2.302 2.452 . 0 0 "[ . 1 . 2]" 1
526 1 34 GLU H 1 34 GLU QG 1.800 . 4.720 3.438 2.454 4.080 . 0 0 "[ . 1 . 2]" 1
527 1 34 GLU H 1 45 ILE HB 1.800 . 4.810 3.980 3.574 4.488 . 0 0 "[ . 1 . 2]" 1
528 1 34 GLU H 1 46 ARG H 1.800 . 4.030 3.061 2.699 3.377 . 0 0 "[ . 1 . 2]" 1
529 1 35 ILE HA 1 35 ILE MD 1.800 . 5.090 3.749 2.254 3.845 . 0 0 "[ . 1 . 2]" 1
530 1 35 ILE HA 1 36 ILE HB 1.800 . 5.700 4.558 4.430 4.754 . 0 0 "[ . 1 . 2]" 1
531 1 35 ILE HA 1 36 ILE H 1.800 . 3.370 2.154 2.133 2.183 . 0 0 "[ . 1 . 2]" 1
532 1 35 ILE HA 1 37 LYS H 1.800 . 5.090 4.093 3.806 4.491 . 0 0 "[ . 1 . 2]" 1
533 1 35 ILE HA 1 45 ILE HA 1.800 . 4.080 2.714 2.572 2.934 . 0 0 "[ . 1 . 2]" 1
534 1 35 ILE HA 1 45 ILE HB 1.800 . 6.010 4.494 4.131 5.095 . 0 0 "[ . 1 . 2]" 1
535 1 35 ILE HA 1 45 ILE MG 1.800 . 3.860 2.766 2.278 3.544 . 0 0 "[ . 1 . 2]" 1
536 1 35 ILE HA 1 46 ARG H 1.800 . 5.650 4.359 4.243 4.416 . 0 0 "[ . 1 . 2]" 1
537 1 35 ILE HB 1 45 ILE MG 1.800 . 5.170 4.611 4.118 5.184 0.014 15 0 "[ . 1 . 2]" 1
538 1 35 ILE MD 1 43 TYR QB 1.800 . 5.290 3.283 2.326 4.087 . 0 0 "[ . 1 . 2]" 1
539 1 35 ILE MD 1 43 TYR QD 1.800 . 4.690 3.224 2.228 3.540 . 0 0 "[ . 1 . 2]" 1
540 1 35 ILE MD 1 43 TYR QE 1.800 . 4.700 3.884 2.496 4.486 . 0 0 "[ . 1 . 2]" 1
541 1 35 ILE MD 1 45 ILE MG 1.800 . 4.440 3.482 2.038 3.878 . 0 0 "[ . 1 . 2]" 1
542 1 35 ILE MD 1 59 ILE MG 1.800 . 3.580 2.781 2.038 3.388 . 0 0 "[ . 1 . 2]" 1
543 1 35 ILE MD 1 61 ILE HA 1.800 . 4.630 3.697 3.082 4.607 . 0 0 "[ . 1 . 2]" 1
544 1 35 ILE MD 1 61 ILE MD 1.800 . 4.920 2.974 1.855 4.548 . 0 0 "[ . 1 . 2]" 1
545 1 35 ILE MD 1 61 ILE QG 1.800 . 4.920 3.184 2.035 4.443 . 0 0 "[ . 1 . 2]" 1
546 1 35 ILE MD 1 61 ILE MG 1.800 . 4.700 3.459 2.901 4.549 . 0 0 "[ . 1 . 2]" 1
547 1 35 ILE QG 1 43 TYR HB3 1.800 . 6.050 3.124 2.685 4.501 . 0 0 "[ . 1 . 2]" 1
548 1 35 ILE QG 1 43 TYR HB2 1.800 . 6.050 4.484 3.917 5.784 . 0 0 "[ . 1 . 2]" 1
549 1 35 ILE QG 1 59 ILE MG 1.800 . 5.290 3.690 2.553 4.217 . 0 0 "[ . 1 . 2]" 1
550 1 35 ILE HG13 1 45 ILE MG 1.800 . 4.820 3.053 2.406 4.411 . 0 0 "[ . 1 . 2]" 1
551 1 35 ILE HG12 1 45 ILE MG 1.800 . 4.820 2.386 2.122 3.536 . 0 0 "[ . 1 . 2]" 1
552 1 35 ILE MD 1 35 ILE MG 1.800 . 3.590 1.837 1.805 1.924 . 0 0 "[ . 1 . 2]" 1
553 1 35 ILE QG 1 35 ILE MG 1.800 . 4.360 2.281 2.251 2.461 . 0 0 "[ . 1 . 2]" 1
554 1 35 ILE MG 1 36 ILE H 1.800 . 4.090 2.775 2.559 3.147 . 0 0 "[ . 1 . 2]" 1
555 1 35 ILE MG 1 37 LYS H 1.800 . 3.750 2.886 2.604 3.376 . 0 0 "[ . 1 . 2]" 1
556 1 35 ILE MG 1 43 TYR HA 1.800 . 5.220 3.651 3.330 4.090 . 0 0 "[ . 1 . 2]" 1
557 1 35 ILE MG 1 43 TYR HB3 1.800 . 5.260 2.952 2.589 3.804 . 0 0 "[ . 1 . 2]" 1
558 1 35 ILE MG 1 43 TYR HB2 1.800 . 5.260 4.412 4.079 5.187 . 0 0 "[ . 1 . 2]" 1
559 1 35 ILE MG 1 43 TYR QD 1.800 . 3.930 2.523 2.122 3.510 . 0 0 "[ . 1 . 2]" 1
560 1 35 ILE MG 1 43 TYR QE 1.800 . 4.430 3.725 2.594 4.187 . 0 0 "[ . 1 . 2]" 1
561 1 35 ILE MG 1 44 GLU H 1.800 . 4.710 3.094 2.654 3.394 . 0 0 "[ . 1 . 2]" 1
562 1 35 ILE MG 1 45 ILE MG 1.800 . 4.710 3.390 3.088 3.778 . 0 0 "[ . 1 . 2]" 1
563 1 35 ILE H 1 35 ILE HB 1.800 . 3.660 2.443 2.389 2.511 . 0 0 "[ . 1 . 2]" 1
564 1 35 ILE H 1 35 ILE MD 1.800 . 5.100 3.598 3.491 3.861 . 0 0 "[ . 1 . 2]" 1
565 1 35 ILE H 1 35 ILE HG13 1.800 . 5.160 2.568 2.354 3.579 . 0 0 "[ . 1 . 2]" 1
566 1 35 ILE H 1 35 ILE HG12 1.800 . 5.160 3.748 2.473 3.921 . 0 0 "[ . 1 . 2]" 1
567 1 35 ILE H 1 45 ILE MG 1.800 . 5.620 4.402 3.803 5.164 . 0 0 "[ . 1 . 2]" 1
568 1 36 ILE HA 1 36 ILE MD 1.800 . 4.650 3.494 2.077 3.858 . 0 0 "[ . 1 . 2]" 1
569 1 36 ILE HA 1 36 ILE QG 1.800 . 3.960 2.455 2.349 3.102 . 0 0 "[ . 1 . 2]" 1
570 1 36 ILE HA 1 36 ILE MG 1.800 . 3.710 2.351 2.292 2.443 . 0 0 "[ . 1 . 2]" 1
571 1 36 ILE HB 1 37 LYS H 1.800 . 3.540 2.408 2.043 2.620 . 0 0 "[ . 1 . 2]" 1
572 1 36 ILE HB 1 44 GLU QB 1.800 . 4.490 2.572 2.319 2.938 . 0 0 "[ . 1 . 2]" 1
573 1 36 ILE HB 1 44 GLU H 1.800 . 5.510 4.878 4.622 5.283 . 0 0 "[ . 1 . 2]" 1
574 1 36 ILE MD 1 44 GLU QB 1.800 . 4.930 3.631 2.684 4.902 . 0 0 "[ . 1 . 2]" 1
575 1 36 ILE MD 1 44 GLU QG 1.800 . 4.690 3.210 2.268 4.730 0.040 15 0 "[ . 1 . 2]" 1
576 1 36 ILE MD 1 46 ARG QB 1.800 . 4.430 2.692 2.224 3.397 . 0 0 "[ . 1 . 2]" 1
577 1 36 ILE MD 1 46 ARG H 1.800 . 5.140 4.241 2.806 5.146 0.006 16 0 "[ . 1 . 2]" 1
578 1 36 ILE QG 1 36 ILE MG 1.800 . 3.640 2.242 2.067 2.293 . 0 0 "[ . 1 . 2]" 1
579 1 36 ILE MG 1 37 LYS QB 1.800 . 4.360 2.815 2.397 3.474 . 0 0 "[ . 1 . 2]" 1
580 1 36 ILE MG 1 37 LYS QD 1.800 . 4.790 3.251 2.532 4.798 0.008 4 0 "[ . 1 . 2]" 1
581 1 36 ILE MG 1 37 LYS QE 1.800 . 4.940 3.521 2.285 4.436 . 0 0 "[ . 1 . 2]" 1
582 1 36 ILE MG 1 37 LYS QG 1.800 . 4.370 2.719 2.175 4.440 0.070 15 0 "[ . 1 . 2]" 1
583 1 36 ILE MG 1 37 LYS H 1.800 . 4.280 3.240 2.662 3.389 . 0 0 "[ . 1 . 2]" 1
584 1 36 ILE MG 1 44 GLU QB 1.800 . 4.680 3.756 3.266 4.158 . 0 0 "[ . 1 . 2]" 1
585 1 36 ILE H 1 36 ILE HB 1.800 . 3.870 2.453 2.344 2.628 . 0 0 "[ . 1 . 2]" 1
586 1 36 ILE H 1 36 ILE MD 1.800 . 5.060 3.212 1.805 3.628 . 0 0 "[ . 1 . 2]" 1
587 1 36 ILE H 1 36 ILE QG 1.800 . 3.790 2.482 2.113 3.489 . 0 0 "[ . 1 . 2]" 1
588 1 36 ILE H 1 37 LYS H 1.800 . 3.470 2.478 2.280 2.659 . 0 0 "[ . 1 . 2]" 1
589 1 36 ILE H 1 44 GLU QB 1.800 . 5.250 3.095 2.731 3.522 . 0 0 "[ . 1 . 2]" 1
590 1 36 ILE H 1 45 ILE HA 1.800 . 4.140 3.359 2.888 3.994 . 0 0 "[ . 1 . 2]" 1
591 1 36 ILE H 1 45 ILE MG 1.800 . 4.820 4.153 3.709 4.894 0.074 16 0 "[ . 1 . 2]" 1
592 1 37 LYS HA 1 38 GLU H 1.800 . 3.450 2.405 2.265 2.575 . 0 0 "[ . 1 . 2]" 1
593 1 37 LYS QB 1 37 LYS QD 1.800 . 3.410 2.200 2.124 2.334 . 0 0 "[ . 1 . 2]" 1
594 1 37 LYS QB 1 37 LYS QE 1.800 . 4.590 2.938 2.132 3.647 . 0 0 "[ . 1 . 2]" 1
595 1 37 LYS QB 1 38 GLU H 1.800 . 3.610 2.575 2.095 3.377 . 0 0 "[ . 1 . 2]" 1
596 1 37 LYS QD 1 38 GLU H 1.800 . 5.400 4.331 3.808 5.145 . 0 0 "[ . 1 . 2]" 1
597 1 37 LYS QE 1 39 VAL MG2 1.800 . 3.990 2.679 2.046 3.965 . 0 0 "[ . 1 . 2]" 1
598 1 37 LYS QE 1 53 TYR QE 1.800 . 5.330 4.673 3.619 5.396 0.066 14 0 "[ . 1 . 2]" 1
599 1 37 LYS QG 1 38 GLU H 1.800 . 4.530 3.144 1.847 3.661 . 0 0 "[ . 1 . 2]" 1
600 1 37 LYS H 1 37 LYS QG 1.800 . 4.290 3.058 2.286 4.243 . 0 0 "[ . 1 . 2]" 1
601 1 37 LYS H 1 38 GLU H 1.800 . 5.640 4.361 4.321 4.406 . 0 0 "[ . 1 . 2]" 1
602 1 37 LYS H 1 44 GLU HB3 1.800 . 5.390 2.396 1.834 3.941 . 0 0 "[ . 1 . 2]" 1
603 1 37 LYS H 1 44 GLU HB2 1.800 . 5.390 3.400 2.048 4.091 . 0 0 "[ . 1 . 2]" 1
604 1 37 LYS H 1 44 GLU H 1.800 . 3.990 3.268 3.008 3.560 . 0 0 "[ . 1 . 2]" 1
605 1 38 GLU HA 1 39 VAL MG2 1.800 . 5.170 3.708 3.293 3.815 . 0 0 "[ . 1 . 2]" 1
606 1 38 GLU HA 1 39 VAL H 1.800 . 3.310 2.159 2.135 2.227 . 0 0 "[ . 1 . 2]" 1
607 1 38 GLU HA 1 43 TYR HA 1.800 . 3.880 2.406 2.320 2.779 . 0 0 "[ . 1 . 2]" 1
608 1 38 GLU HA 1 43 TYR QD 1.800 . 4.130 3.398 3.128 4.048 . 0 0 "[ . 1 . 2]" 1
609 1 38 GLU HA 1 44 GLU H 1.800 . 4.380 3.025 2.854 3.255 . 0 0 "[ . 1 . 2]" 1
610 1 38 GLU QB 1 43 TYR HA 1.800 . 5.480 3.440 2.371 3.829 . 0 0 "[ . 1 . 2]" 1
611 1 38 GLU HB3 1 43 TYR QD 1.800 . 5.800 4.262 2.421 5.059 . 0 0 "[ . 1 . 2]" 1
612 1 38 GLU HB3 1 43 TYR QE 1.800 . 6.050 3.840 3.168 4.615 . 0 0 "[ . 1 . 2]" 1
613 1 38 GLU HB2 1 43 TYR QD 1.800 . 5.800 2.752 2.343 3.926 . 0 0 "[ . 1 . 2]" 1
614 1 38 GLU HB2 1 43 TYR QE 1.800 . 6.050 2.663 2.342 4.184 . 0 0 "[ . 1 . 2]" 1
615 1 38 GLU QG 1 40 ASP H 1.800 . 5.140 4.492 4.304 5.052 . 0 0 "[ . 1 . 2]" 1
616 1 38 GLU QG 1 43 TYR HA 1.800 . 5.840 3.044 2.748 4.492 . 0 0 "[ . 1 . 2]" 1
617 1 38 GLU HG3 1 39 VAL H 1.800 . 5.130 3.413 3.089 5.053 . 0 0 "[ . 1 . 2]" 1
618 1 38 GLU HG3 1 41 GLY H 1.800 . 5.090 4.062 3.813 4.826 . 0 0 "[ . 1 . 2]" 1
619 1 38 GLU HG3 1 42 TRP H 1.800 . 5.220 4.148 3.774 5.306 0.086 15 0 "[ . 1 . 2]" 1
620 1 38 GLU HG3 1 43 TYR QD 1.800 . 6.050 3.351 2.402 4.334 . 0 0 "[ . 1 . 2]" 1
621 1 38 GLU HG3 1 43 TYR QE 1.800 . 6.050 3.444 2.491 4.079 . 0 0 "[ . 1 . 2]" 1
622 1 38 GLU HG2 1 39 VAL H 1.800 . 5.130 3.144 2.796 4.275 . 0 0 "[ . 1 . 2]" 1
623 1 38 GLU HG2 1 41 GLY H 1.800 . 5.090 2.954 2.609 4.653 . 0 0 "[ . 1 . 2]" 1
624 1 38 GLU HG2 1 42 TRP H 1.800 . 5.220 3.924 3.463 5.176 . 0 0 "[ . 1 . 2]" 1
625 1 38 GLU HG2 1 43 TYR QD 1.800 . 6.050 4.553 2.940 5.152 . 0 0 "[ . 1 . 2]" 1
626 1 38 GLU HG2 1 43 TYR QE 1.800 . 6.050 4.430 3.499 5.079 . 0 0 "[ . 1 . 2]" 1
627 1 38 GLU H 1 38 GLU HB3 1.800 . 4.210 2.609 2.498 3.091 . 0 0 "[ . 1 . 2]" 1
628 1 38 GLU H 1 38 GLU HB2 1.800 . 4.210 2.988 2.848 3.682 . 0 0 "[ . 1 . 2]" 1
629 1 38 GLU H 1 39 VAL MG2 1.800 . 5.310 3.928 3.726 4.130 . 0 0 "[ . 1 . 2]" 1
630 1 39 VAL HA 1 39 VAL MG1 1.800 . 3.720 2.356 2.297 2.415 . 0 0 "[ . 1 . 2]" 1
631 1 39 VAL HA 1 39 VAL MG2 1.800 . 3.940 2.291 2.241 2.397 . 0 0 "[ . 1 . 2]" 1
632 1 39 VAL HA 1 40 ASP H 1.800 . 2.990 2.157 2.138 2.176 . 0 0 "[ . 1 . 2]" 1
633 1 39 VAL HB 1 40 ASP H 1.800 . 5.600 4.202 4.143 4.252 . 0 0 "[ . 1 . 2]" 1
634 1 39 VAL HB 1 42 TRP H 1.800 . 5.740 4.551 4.131 4.714 . 0 0 "[ . 1 . 2]" 1
635 1 39 VAL HB 1 53 TYR QE 1.800 . 4.330 3.001 2.512 3.610 . 0 0 "[ . 1 . 2]" 1
636 1 39 VAL MG1 1 40 ASP QB 1.800 . 4.250 2.573 2.402 2.749 . 0 0 "[ . 1 . 2]" 1
637 1 39 VAL MG1 1 40 ASP H 1.800 . 4.050 2.544 2.476 2.728 . 0 0 "[ . 1 . 2]" 1
638 1 39 VAL MG1 1 42 TRP QB 1.800 . 5.480 4.141 3.937 4.398 . 0 0 "[ . 1 . 2]" 1
639 1 39 VAL MG1 1 42 TRP HD1 1.800 . 5.790 5.078 4.511 5.836 0.046 16 0 "[ . 1 . 2]" 1
640 1 39 VAL MG1 1 42 TRP H 1.800 . 5.220 4.481 4.326 4.693 . 0 0 "[ . 1 . 2]" 1
641 1 39 VAL MG2 1 44 GLU QB 1.800 . 5.210 3.893 3.685 4.636 . 0 0 "[ . 1 . 2]" 1
642 1 39 VAL MG2 1 44 GLU H 1.800 . 4.860 4.873 4.620 4.938 0.078 15 0 "[ . 1 . 2]" 1
643 1 39 VAL MG2 1 53 TYR QD 1.800 . 5.470 4.729 3.871 5.165 . 0 0 "[ . 1 . 2]" 1
644 1 39 VAL MG2 1 53 TYR QE 1.800 . 3.470 3.242 2.182 3.523 0.053 11 0 "[ . 1 . 2]" 1
645 1 39 VAL H 1 39 VAL MG1 1.800 . 4.690 3.831 3.793 3.898 . 0 0 "[ . 1 . 2]" 1
646 1 39 VAL H 1 39 VAL MG2 1.800 . 4.090 2.875 2.675 2.961 . 0 0 "[ . 1 . 2]" 1
647 1 39 VAL H 1 42 TRP QB 1.800 . 5.580 3.489 2.957 3.746 . 0 0 "[ . 1 . 2]" 1
648 1 39 VAL H 1 42 TRP H 1.800 . 4.040 3.469 2.490 3.809 . 0 0 "[ . 1 . 2]" 1
649 1 39 VAL H 1 43 TYR HA 1.800 . 4.910 3.625 3.479 3.976 . 0 0 "[ . 1 . 2]" 1
650 1 39 VAL H 1 43 TYR QD 1.800 . 5.710 5.086 4.543 5.588 . 0 0 "[ . 1 . 2]" 1
651 1 40 ASP HA 1 41 GLY H 1.800 . 3.870 2.977 2.902 3.032 . 0 0 "[ . 1 . 2]" 1
652 1 40 ASP QB 1 41 GLY H 1.800 . 4.290 3.769 3.722 3.825 . 0 0 "[ . 1 . 2]" 1
653 1 40 ASP QB 1 42 TRP HD1 1.800 . 4.160 2.700 2.221 3.489 . 0 0 "[ . 1 . 2]" 1
654 1 40 ASP QB 1 42 TRP HE1 1.800 . 5.870 4.259 3.574 4.906 . 0 0 "[ . 1 . 2]" 1
655 1 40 ASP QB 1 42 TRP H 1.800 . 4.430 3.165 3.032 4.022 . 0 0 "[ . 1 . 2]" 1
656 1 40 ASP H 1 40 ASP QB 1.800 . 3.860 3.103 2.874 3.261 . 0 0 "[ . 1 . 2]" 1
657 1 41 GLY QA 1 56 LYS QD 1.800 . 4.220 3.441 2.630 4.382 0.162 2 0 "[ . 1 . 2]" 1
658 1 41 GLY H 1 42 TRP H 1.800 . 4.260 2.661 2.370 2.891 . 0 0 "[ . 1 . 2]" 1
659 1 42 TRP HA 1 43 TYR H 1.800 . 3.380 2.241 2.182 2.274 . 0 0 "[ . 1 . 2]" 1
660 1 42 TRP HA 1 55 SER HA 1.800 . 4.220 3.749 2.906 4.210 . 0 0 "[ . 1 . 2]" 1
661 1 42 TRP HA 1 56 LYS H 1.800 . 4.360 3.865 3.212 4.320 . 0 0 "[ . 1 . 2]" 1
662 1 42 TRP QB 1 42 TRP HE3 1.800 . 3.860 2.483 2.394 2.559 . 0 0 "[ . 1 . 2]" 1
663 1 42 TRP QB 1 42 TRP HZ3 1.800 . 5.670 4.768 4.668 4.836 . 0 0 "[ . 1 . 2]" 1
664 1 42 TRP QB 1 53 TYR QB 1.800 . 4.790 2.452 2.289 3.057 . 0 0 "[ . 1 . 2]" 1
665 1 42 TRP QB 1 54 ALA H 1.800 . 5.140 3.464 2.853 3.925 . 0 0 "[ . 1 . 2]" 1
666 1 42 TRP HB3 1 43 TYR H 1.800 . 4.620 2.971 2.818 3.767 . 0 0 "[ . 1 . 2]" 1
667 1 42 TRP HB3 1 53 TYR QD 1.800 . 5.540 2.751 2.321 3.411 . 0 0 "[ . 1 . 2]" 1
668 1 42 TRP HB2 1 43 TYR H 1.800 . 4.620 4.093 3.984 4.469 . 0 0 "[ . 1 . 2]" 1
669 1 42 TRP HB2 1 53 TYR QD 1.800 . 5.540 3.257 2.644 3.805 . 0 0 "[ . 1 . 2]" 1
670 1 42 TRP HE3 1 43 TYR H 1.800 . 5.130 3.969 3.493 4.862 . 0 0 "[ . 1 . 2]" 1
671 1 42 TRP HE3 1 53 TYR HB3 1.800 . 4.600 2.550 2.320 2.962 . 0 0 "[ . 1 . 2]" 1
672 1 42 TRP HE3 1 53 TYR HB2 1.800 . 4.600 3.459 2.414 4.158 . 0 0 "[ . 1 . 2]" 1
673 1 42 TRP HE3 1 54 ALA HA 1.800 . 4.400 3.374 2.789 3.875 . 0 0 "[ . 1 . 2]" 1
674 1 42 TRP HE3 1 54 ALA H 1.800 . 4.470 3.017 2.757 3.459 . 0 0 "[ . 1 . 2]" 1
675 1 42 TRP HE3 1 55 SER HA 1.800 . 4.600 3.653 2.967 4.475 . 0 0 "[ . 1 . 2]" 1
676 1 42 TRP HE3 1 55 SER H 1.800 . 4.930 4.069 3.704 4.760 . 0 0 "[ . 1 . 2]" 1
677 1 42 TRP H 1 42 TRP QB 1.800 . 3.690 2.325 2.270 2.544 . 0 0 "[ . 1 . 2]" 1
678 1 42 TRP H 1 42 TRP HD1 1.800 . 3.920 2.410 1.997 2.868 . 0 0 "[ . 1 . 2]" 1
679 1 42 TRP HZ3 1 53 TYR QB 1.800 . 5.200 3.977 3.436 4.485 . 0 0 "[ . 1 . 2]" 1
680 1 42 TRP HZ3 1 54 ALA HA 1.800 . 4.400 3.033 2.426 3.864 . 0 0 "[ . 1 . 2]" 1
681 1 42 TRP HZ3 1 55 SER HA 1.800 . 6.050 3.922 3.017 5.144 . 0 0 "[ . 1 . 2]" 1
682 1 42 TRP HZ3 1 55 SER H 1.800 . 4.700 3.326 2.606 4.557 . 0 0 "[ . 1 . 2]" 1
683 1 43 TYR HA 1 43 TYR QD 1.800 . 3.530 2.457 2.291 2.663 . 0 0 "[ . 1 . 2]" 1
684 1 43 TYR HA 1 43 TYR QE 1.800 . 4.800 4.349 4.240 4.474 . 0 0 "[ . 1 . 2]" 1
685 1 43 TYR HA 1 44 GLU H 1.800 . 3.210 2.145 2.131 2.177 . 0 0 "[ . 1 . 2]" 1
686 1 43 TYR HB3 1 44 GLU H 1.800 . 4.960 3.282 3.130 3.692 . 0 0 "[ . 1 . 2]" 1
687 1 43 TYR HB3 1 45 ILE MG 1.800 . 4.540 3.032 2.669 3.595 . 0 0 "[ . 1 . 2]" 1
688 1 43 TYR HB3 1 54 ALA H 1.800 . 5.820 4.834 4.140 5.370 . 0 0 "[ . 1 . 2]" 1
689 1 43 TYR QB 1 59 ILE MD 1.800 . 5.360 3.572 2.175 4.808 . 0 0 "[ . 1 . 2]" 1
690 1 43 TYR HB2 1 44 GLU H 1.800 . 4.960 4.279 4.167 4.529 . 0 0 "[ . 1 . 2]" 1
691 1 43 TYR HB2 1 45 ILE MG 1.800 . 4.540 3.598 3.352 4.015 . 0 0 "[ . 1 . 2]" 1
692 1 43 TYR HB2 1 54 ALA H 1.800 . 5.820 3.816 3.466 4.420 . 0 0 "[ . 1 . 2]" 1
693 1 43 TYR QD 1 44 GLU H 1.800 . 4.640 3.644 2.984 4.338 . 0 0 "[ . 1 . 2]" 1
694 1 43 TYR QD 1 45 ILE MG 1.800 . 5.220 4.520 3.704 5.032 . 0 0 "[ . 1 . 2]" 1
695 1 43 TYR QD 1 56 LYS HA 1.800 . 3.890 2.549 2.338 3.449 . 0 0 "[ . 1 . 2]" 1
696 1 43 TYR QD 1 59 ILE HB 1.800 . 3.620 2.939 2.491 3.281 . 0 0 "[ . 1 . 2]" 1
697 1 43 TYR QD 1 59 ILE MD 1.800 . 4.690 4.100 2.737 4.772 0.082 15 0 "[ . 1 . 2]" 1
698 1 43 TYR QD 1 59 ILE QG 1.800 . 4.980 3.804 3.174 4.782 . 0 0 "[ . 1 . 2]" 1
699 1 43 TYR QD 1 59 ILE MG 1.800 . 4.100 2.951 2.116 3.449 . 0 0 "[ . 1 . 2]" 1
700 1 43 TYR QE 1 56 LYS HA 1.800 . 3.760 3.111 2.442 3.924 0.164 11 0 "[ . 1 . 2]" 1
701 1 43 TYR QE 1 56 LYS QB 1.800 . 4.270 2.307 2.086 4.084 . 0 0 "[ . 1 . 2]" 1
702 1 43 TYR QE 1 59 ILE HB 1.800 . 4.040 4.031 3.813 4.173 0.133 8 0 "[ . 1 . 2]" 1
703 1 43 TYR QE 1 59 ILE MG 1.800 . 3.970 3.637 2.802 4.019 0.049 9 0 "[ . 1 . 2]" 1
704 1 43 TYR QE 1 59 ILE H 1.800 . 5.780 5.521 5.065 5.797 0.017 14 0 "[ . 1 . 2]" 1
705 1 43 TYR QE 1 61 ILE MD 1.800 . 4.590 2.912 2.256 4.012 . 0 0 "[ . 1 . 2]" 1
706 1 43 TYR H 1 43 TYR QD 1.800 . 4.650 3.013 2.460 3.583 . 0 0 "[ . 1 . 2]" 1
707 1 43 TYR H 1 45 ILE MG 1.800 . 6.050 5.002 4.815 5.267 . 0 0 "[ . 1 . 2]" 1
708 1 43 TYR H 1 54 ALA MB 1.800 . 5.440 4.195 3.737 4.644 . 0 0 "[ . 1 . 2]" 1
709 1 43 TYR H 1 54 ALA H 1.800 . 4.890 3.130 2.737 3.846 . 0 0 "[ . 1 . 2]" 1
710 1 43 TYR H 1 55 SER HA 1.800 . 4.860 4.367 3.244 4.729 . 0 0 "[ . 1 . 2]" 1
711 1 43 TYR H 1 56 LYS HA 1.800 . 5.490 4.613 4.026 5.160 . 0 0 "[ . 1 . 2]" 1
712 1 43 TYR H 1 56 LYS QB 1.800 . 5.540 4.330 3.589 5.184 . 0 0 "[ . 1 . 2]" 1
713 1 43 TYR H 1 56 LYS H 1.800 . 5.160 4.618 3.934 4.960 . 0 0 "[ . 1 . 2]" 1
714 1 43 TYR H 1 59 ILE MD 1.800 . 6.050 5.000 3.852 5.867 . 0 0 "[ . 1 . 2]" 1
715 1 44 GLU HA 1 44 GLU QG 1.800 . 3.950 2.327 2.282 2.628 . 0 0 "[ . 1 . 2]" 1
716 1 44 GLU HA 1 45 ILE QG 1.800 . 5.870 3.607 3.469 3.718 . 0 0 "[ . 1 . 2]" 1
717 1 44 GLU HA 1 45 ILE MG 1.800 . 5.370 3.618 3.442 3.793 . 0 0 "[ . 1 . 2]" 1
718 1 44 GLU HA 1 45 ILE H 1.800 . 3.310 2.182 2.130 2.346 . 0 0 "[ . 1 . 2]" 1
719 1 44 GLU HA 1 51 VAL MG1 1.800 . 6.000 4.308 3.896 4.785 . 0 0 "[ . 1 . 2]" 1
720 1 44 GLU HA 1 53 TYR HA 1.800 . 4.230 2.572 2.338 2.796 . 0 0 "[ . 1 . 2]" 1
721 1 44 GLU HA 1 53 TYR QD 1.800 . 4.940 3.184 2.656 3.980 . 0 0 "[ . 1 . 2]" 1
722 1 44 GLU HA 1 53 TYR QE 1.800 . 5.060 3.822 3.219 4.686 . 0 0 "[ . 1 . 2]" 1
723 1 44 GLU HA 1 54 ALA H 1.800 . 5.400 4.119 3.734 4.422 . 0 0 "[ . 1 . 2]" 1
724 1 44 GLU QB 1 53 TYR QD 1.800 . 5.370 3.499 2.733 4.779 . 0 0 "[ . 1 . 2]" 1
725 1 44 GLU HB3 1 45 ILE H 1.800 . 5.520 3.990 3.003 4.234 . 0 0 "[ . 1 . 2]" 1
726 1 44 GLU QB 1 53 TYR QE 1.800 . 4.400 2.616 2.280 4.404 0.004 12 0 "[ . 1 . 2]" 1
727 1 44 GLU HB2 1 45 ILE H 1.800 . 5.520 4.308 4.043 4.474 . 0 0 "[ . 1 . 2]" 1
728 1 44 GLU QG 1 45 ILE H 1.800 . 4.510 2.929 2.078 4.071 . 0 0 "[ . 1 . 2]" 1
729 1 44 GLU QG 1 51 VAL MG1 1.800 . 3.990 2.601 2.169 3.777 . 0 0 "[ . 1 . 2]" 1
730 1 44 GLU HG3 1 53 TYR QE 1.800 . 4.380 3.236 2.801 4.502 0.122 1 0 "[ . 1 . 2]" 1
731 1 44 GLU HG2 1 53 TYR QE 1.800 . 4.380 4.117 2.577 4.514 0.134 8 0 "[ . 1 . 2]" 1
732 1 44 GLU H 1 44 GLU HB3 1.800 . 3.930 2.734 2.520 3.622 . 0 0 "[ . 1 . 2]" 1
733 1 44 GLU H 1 44 GLU HB2 1.800 . 3.930 2.594 2.378 2.730 . 0 0 "[ . 1 . 2]" 1
734 1 44 GLU H 1 44 GLU QG 1.800 . 5.620 3.782 2.587 4.061 . 0 0 "[ . 1 . 2]" 1
735 1 44 GLU H 1 45 ILE MG 1.800 . 4.990 4.066 3.883 4.301 . 0 0 "[ . 1 . 2]" 1
736 1 44 GLU H 1 53 TYR QD 1.800 . 5.370 4.096 3.704 5.281 . 0 0 "[ . 1 . 2]" 1
737 1 44 GLU H 1 53 TYR QE 1.800 . 5.900 4.385 3.513 5.793 . 0 0 "[ . 1 . 2]" 1
738 1 45 ILE HA 1 45 ILE MG 1.800 . 3.770 2.320 2.257 2.374 . 0 0 "[ . 1 . 2]" 1
739 1 45 ILE HA 1 46 ARG H 1.800 . 3.430 2.300 2.206 2.342 . 0 0 "[ . 1 . 2]" 1
740 1 45 ILE HB 1 46 ARG H 1.800 . 3.760 2.582 2.440 2.784 . 0 0 "[ . 1 . 2]" 1
741 1 45 ILE MD 1 46 ARG H 1.800 . 5.320 4.332 4.187 4.534 . 0 0 "[ . 1 . 2]" 1
742 1 45 ILE MD 1 47 PHE HB3 1.800 . 5.220 4.441 4.020 4.631 . 0 0 "[ . 1 . 2]" 1
743 1 45 ILE MD 1 47 PHE HB2 1.800 . 5.220 3.662 3.390 3.974 . 0 0 "[ . 1 . 2]" 1
744 1 45 ILE MD 1 52 GLY H 1.800 . 5.180 4.745 4.163 5.213 0.033 17 0 "[ . 1 . 2]" 1
745 1 45 ILE MD 1 54 ALA MB 1.800 . 3.690 2.528 2.223 2.997 . 0 0 "[ . 1 . 2]" 1
746 1 45 ILE QG 1 46 ARG H 1.800 . 5.270 3.738 3.640 3.878 . 0 0 "[ . 1 . 2]" 1
747 1 45 ILE QG 1 52 GLY QA 1.800 . 5.810 3.761 2.871 4.212 . 0 0 "[ . 1 . 2]" 1
748 1 45 ILE QG 1 52 GLY H 1.800 . 4.280 3.188 2.655 3.660 . 0 0 "[ . 1 . 2]" 1
749 1 45 ILE QG 1 53 TYR HA 1.800 . 4.620 3.172 2.404 3.738 . 0 0 "[ . 1 . 2]" 1
750 1 45 ILE QG 1 53 TYR H 1.800 . 5.870 4.277 3.262 4.699 . 0 0 "[ . 1 . 2]" 1
751 1 45 ILE MD 1 45 ILE MG 1.800 . 3.600 1.899 1.798 2.037 0.002 11 0 "[ . 1 . 2]" 1
752 1 45 ILE MG 1 46 ARG H 1.800 . 4.480 3.690 3.617 3.775 . 0 0 "[ . 1 . 2]" 1
753 1 45 ILE MG 1 54 ALA MB 1.800 . 4.470 3.297 2.874 3.848 . 0 0 "[ . 1 . 2]" 1
754 1 45 ILE MG 1 54 ALA H 1.800 . 5.760 4.190 3.617 4.779 . 0 0 "[ . 1 . 2]" 1
755 1 45 ILE H 1 45 ILE MD 1.800 . 5.140 3.865 3.795 3.976 . 0 0 "[ . 1 . 2]" 1
756 1 45 ILE H 1 45 ILE QG 1.800 . 3.640 2.134 2.054 2.259 . 0 0 "[ . 1 . 2]" 1
757 1 45 ILE H 1 45 ILE MG 1.800 . 4.060 2.872 2.790 3.071 . 0 0 "[ . 1 . 2]" 1
758 1 45 ILE H 1 51 VAL HA 1.800 . 5.990 4.704 4.287 5.090 . 0 0 "[ . 1 . 2]" 1
759 1 45 ILE H 1 52 GLY H 1.800 . 3.930 3.204 2.864 3.510 . 0 0 "[ . 1 . 2]" 1
760 1 45 ILE H 1 53 TYR HA 1.800 . 4.400 3.167 2.888 3.585 . 0 0 "[ . 1 . 2]" 1
761 1 45 ILE H 1 53 TYR QE 1.800 . 6.050 5.362 4.748 6.112 0.062 12 0 "[ . 1 . 2]" 1
762 1 46 ARG HA 1 46 ARG QD 1.800 . 4.980 4.014 3.870 4.185 . 0 0 "[ . 1 . 2]" 1
763 1 46 ARG HA 1 46 ARG QG 1.800 . 3.900 2.332 2.208 2.450 . 0 0 "[ . 1 . 2]" 1
764 1 46 ARG HA 1 47 PHE H 1.800 . 3.450 2.155 2.092 2.201 . 0 0 "[ . 1 . 2]" 1
765 1 46 ARG HA 1 51 VAL HA 1.800 . 3.720 2.472 2.269 2.801 . 0 0 "[ . 1 . 2]" 1
766 1 46 ARG HA 1 51 VAL MG2 1.800 . 4.310 3.104 2.544 3.866 . 0 0 "[ . 1 . 2]" 1
767 1 46 ARG HA 1 52 GLY H 1.800 . 4.580 3.630 3.166 3.958 . 0 0 "[ . 1 . 2]" 1
768 1 46 ARG QB 1 51 VAL MG1 1.800 . 4.750 4.006 3.360 4.638 . 0 0 "[ . 1 . 2]" 1
769 1 46 ARG QB 1 51 VAL MG2 1.800 . 4.300 2.857 2.272 3.737 . 0 0 "[ . 1 . 2]" 1
770 1 46 ARG HB3 1 46 ARG QD 1.800 . 4.550 2.579 2.294 3.087 . 0 0 "[ . 1 . 2]" 1
771 1 46 ARG HB3 1 47 PHE H 1.800 . 5.140 4.195 4.052 4.363 . 0 0 "[ . 1 . 2]" 1
772 1 46 ARG HB2 1 46 ARG QD 1.800 . 4.550 2.543 2.250 3.063 . 0 0 "[ . 1 . 2]" 1
773 1 46 ARG HB2 1 47 PHE H 1.800 . 5.140 4.315 4.191 4.523 . 0 0 "[ . 1 . 2]" 1
774 1 46 ARG QD 1 47 PHE H 1.800 . 6.110 4.787 4.580 5.182 . 0 0 "[ . 1 . 2]" 1
775 1 46 ARG QD 1 49 GLY H 1.800 . 5.720 4.575 3.818 5.418 . 0 0 "[ . 1 . 2]" 1
776 1 46 ARG QD 1 50 LYS H 1.800 . 6.050 5.011 4.475 5.556 . 0 0 "[ . 1 . 2]" 1
777 1 46 ARG QD 1 51 VAL MG2 1.800 . 4.200 3.263 2.452 3.958 . 0 0 "[ . 1 . 2]" 1
778 1 46 ARG QG 1 49 GLY H 1.800 . 4.760 3.289 2.804 3.851 . 0 0 "[ . 1 . 2]" 1
779 1 46 ARG QG 1 51 VAL MG2 1.800 . 4.060 2.534 2.070 3.215 . 0 0 "[ . 1 . 2]" 1
780 1 46 ARG HG3 1 47 PHE H 1.800 . 4.790 3.182 2.808 4.373 . 0 0 "[ . 1 . 2]" 1
781 1 46 ARG HG2 1 47 PHE H 1.800 . 4.790 3.064 2.822 3.501 . 0 0 "[ . 1 . 2]" 1
782 1 46 ARG H 1 46 ARG QG 1.800 . 5.220 4.046 3.976 4.095 . 0 0 "[ . 1 . 2]" 1
783 1 47 PHE HA 1 47 PHE QD 1.800 . 4.750 2.641 2.337 2.829 . 0 0 "[ . 1 . 2]" 1
784 1 47 PHE HA 1 48 ASN H 1.800 . 3.870 2.171 2.117 2.233 . 0 0 "[ . 1 . 2]" 1
785 1 47 PHE QD 1 48 ASN QB 1.800 . 4.710 2.615 2.334 3.034 . 0 0 "[ . 1 . 2]" 1
786 1 47 PHE QE 1 48 ASN QB 1.800 . 5.060 3.236 2.752 4.185 . 0 0 "[ . 1 . 2]" 1
787 1 47 PHE H 1 47 PHE QD 1.800 . 5.530 4.414 4.334 4.473 . 0 0 "[ . 1 . 2]" 1
788 1 47 PHE H 1 50 LYS HA 1.800 . 5.910 4.709 4.577 4.822 . 0 0 "[ . 1 . 2]" 1
789 1 47 PHE H 1 50 LYS QB 1.800 . 5.280 3.572 3.325 4.860 . 0 0 "[ . 1 . 2]" 1
790 1 47 PHE H 1 50 LYS H 1.800 . 4.150 2.917 2.736 3.178 . 0 0 "[ . 1 . 2]" 1
791 1 47 PHE H 1 51 VAL HA 1.800 . 4.650 3.596 3.338 3.858 . 0 0 "[ . 1 . 2]" 1
792 1 47 PHE H 1 51 VAL MG2 1.800 . 5.650 4.309 3.999 4.876 . 0 0 "[ . 1 . 2]" 1
793 1 48 ASN HA 1 49 GLY H 1.800 . 3.880 2.903 2.830 2.988 . 0 0 "[ . 1 . 2]" 1
794 1 48 ASN QB 1 50 LYS H 1.800 . 5.630 3.499 3.133 4.420 . 0 0 "[ . 1 . 2]" 1
795 1 48 ASN H 1 49 GLY H 1.800 . 4.890 2.737 2.627 2.892 . 0 0 "[ . 1 . 2]" 1
796 1 49 GLY QA 1 50 LYS QB 1.800 . 5.700 4.470 4.177 4.706 . 0 0 "[ . 1 . 2]" 1
797 1 49 GLY H 1 50 LYS H 1.800 . 4.060 2.555 2.440 2.629 . 0 0 "[ . 1 . 2]" 1
798 1 50 LYS HA 1 51 VAL H 1.800 . 2.960 2.237 2.159 2.332 . 0 0 "[ . 1 . 2]" 1
799 1 50 LYS QB 1 51 VAL H 1.800 . 4.290 3.029 2.666 3.717 . 0 0 "[ . 1 . 2]" 1
800 1 50 LYS QG 1 51 VAL H 1.800 . 4.480 3.503 2.017 4.493 0.013 5 0 "[ . 1 . 2]" 1
801 1 50 LYS H 1 50 LYS QB 1.800 . 3.590 2.526 2.374 3.200 . 0 0 "[ . 1 . 2]" 1
802 1 50 LYS H 1 50 LYS QE 1.800 . 6.050 5.103 3.848 6.176 0.126 12 0 "[ . 1 . 2]" 1
803 1 50 LYS H 1 50 LYS QG 1.800 . 4.480 3.188 2.243 4.144 . 0 0 "[ . 1 . 2]" 1
804 1 51 VAL HA 1 51 VAL MG1 1.800 . 3.990 2.383 2.232 2.419 . 0 0 "[ . 1 . 2]" 1
805 1 51 VAL HA 1 51 VAL MG2 1.800 . 3.660 2.328 2.257 2.480 . 0 0 "[ . 1 . 2]" 1
806 1 51 VAL HA 1 52 GLY H 1.800 . 3.060 2.164 2.125 2.352 . 0 0 "[ . 1 . 2]" 1
807 1 51 VAL MG1 1 52 GLY HA3 1.800 . 6.050 4.238 4.118 4.562 . 0 0 "[ . 1 . 2]" 1
808 1 51 VAL MG1 1 52 GLY HA2 1.800 . 6.050 3.393 3.250 4.016 . 0 0 "[ . 1 . 2]" 1
809 1 51 VAL MG1 1 52 GLY H 1.800 . 3.540 2.533 1.947 3.027 . 0 0 "[ . 1 . 2]" 1
810 1 51 VAL MG1 1 53 TYR QE 1.800 . 4.880 3.496 2.826 4.232 . 0 0 "[ . 1 . 2]" 1
811 1 51 VAL MG1 1 53 TYR H 1.800 . 6.050 5.236 4.901 5.434 . 0 0 "[ . 1 . 2]" 1
812 1 51 VAL H 1 51 VAL HB 1.800 . 3.280 2.503 2.406 2.667 . 0 0 "[ . 1 . 2]" 1
813 1 51 VAL H 1 51 VAL MG1 1.800 . 5.100 3.775 3.743 3.833 . 0 0 "[ . 1 . 2]" 1
814 1 51 VAL H 1 51 VAL MG2 1.800 . 3.580 2.700 1.979 2.886 . 0 0 "[ . 1 . 2]" 1
815 1 52 GLY QA 1 53 TYR QE 1.800 . 5.080 3.595 2.981 3.958 . 0 0 "[ . 1 . 2]" 1
816 1 52 GLY HA3 1 53 TYR QD 1.800 . 5.480 3.868 3.630 4.309 . 0 0 "[ . 1 . 2]" 1
817 1 52 GLY HA3 1 53 TYR H 1.800 . 3.920 2.423 2.325 2.720 . 0 0 "[ . 1 . 2]" 1
818 1 52 GLY HA2 1 53 TYR QD 1.800 . 5.480 2.724 2.519 3.219 . 0 0 "[ . 1 . 2]" 1
819 1 52 GLY HA2 1 53 TYR H 1.800 . 3.920 2.726 2.427 2.861 . 0 0 "[ . 1 . 2]" 1
820 1 52 GLY H 1 53 TYR H 1.800 . 5.250 4.304 4.225 4.399 . 0 0 "[ . 1 . 2]" 1
821 1 53 TYR HA 1 53 TYR QD 1.800 . 4.790 3.040 2.821 3.155 . 0 0 "[ . 1 . 2]" 1
822 1 53 TYR HA 1 54 ALA MB 1.800 . 5.540 3.858 3.817 3.891 . 0 0 "[ . 1 . 2]" 1
823 1 53 TYR HA 1 54 ALA H 1.800 . 3.370 2.318 2.220 2.378 . 0 0 "[ . 1 . 2]" 1
824 1 53 TYR HB3 1 54 ALA H 1.800 . 5.100 2.662 2.479 2.997 . 0 0 "[ . 1 . 2]" 1
825 1 53 TYR HB2 1 54 ALA H 1.800 . 5.100 3.814 3.672 4.068 . 0 0 "[ . 1 . 2]" 1
826 1 53 TYR QD 1 54 ALA H 1.800 . 5.390 3.869 3.639 4.273 . 0 0 "[ . 1 . 2]" 1
827 1 53 TYR H 1 53 TYR QD 1.800 . 4.050 2.665 2.292 2.970 . 0 0 "[ . 1 . 2]" 1
828 1 53 TYR H 1 53 TYR QE 1.800 . 6.050 4.814 4.387 5.081 . 0 0 "[ . 1 . 2]" 1
829 1 54 ALA HA 1 55 SER H 1.800 . 3.380 2.299 2.272 2.368 . 0 0 "[ . 1 . 2]" 1
830 1 54 ALA MB 1 55 SER H 1.800 . 3.780 2.616 2.489 2.735 . 0 0 "[ . 1 . 2]" 1
831 1 54 ALA MB 1 59 ILE MD 1.800 . 3.320 2.095 1.836 2.526 . 0 0 "[ . 1 . 2]" 1
832 1 54 ALA H 1 59 ILE MD 1.800 . 6.050 4.586 3.865 5.287 . 0 0 "[ . 1 . 2]" 1
833 1 55 SER HA 1 56 LYS H 1.800 . 3.120 2.232 2.161 2.279 . 0 0 "[ . 1 . 2]" 1
834 1 55 SER QB 1 56 LYS H 1.800 . 4.580 3.128 2.688 3.686 . 0 0 "[ . 1 . 2]" 1
835 1 55 SER QB 1 57 SER H 1.800 . 4.470 2.890 2.189 4.061 . 0 0 "[ . 1 . 2]" 1
836 1 55 SER QB 1 58 TYR QD 1.800 . 3.470 2.477 2.110 3.570 0.100 3 0 "[ . 1 . 2]" 1
837 1 55 SER QB 1 58 TYR QE 1.800 . 4.430 3.697 2.897 4.185 . 0 0 "[ . 1 . 2]" 1
838 1 55 SER QB 1 58 TYR H 1.800 . 4.200 3.160 2.721 4.071 . 0 0 "[ . 1 . 2]" 1
839 1 55 SER H 1 55 SER QB 1.800 . 3.410 2.325 2.228 2.667 . 0 0 "[ . 1 . 2]" 1
840 1 55 SER H 1 56 LYS H 1.800 . 5.690 4.620 4.578 4.636 . 0 0 "[ . 1 . 2]" 1
841 1 55 SER H 1 58 TYR QD 1.800 . 6.050 4.180 2.812 4.901 . 0 0 "[ . 1 . 2]" 1
842 1 56 LYS HA 1 58 TYR H 1.800 . 4.920 4.004 3.080 4.424 . 0 0 "[ . 1 . 2]" 1
843 1 56 LYS HA 1 59 ILE HB 1.800 . 4.480 2.368 2.259 2.690 . 0 0 "[ . 1 . 2]" 1
844 1 56 LYS HA 1 59 ILE H 1.800 . 4.580 3.206 2.428 3.509 . 0 0 "[ . 1 . 2]" 1
845 1 56 LYS QB 1 57 SER H 1.800 . 4.400 3.511 2.466 3.740 . 0 0 "[ . 1 . 2]" 1
846 1 56 LYS HB3 1 56 LYS QE 1.800 . 5.040 3.943 2.842 4.278 . 0 0 "[ . 1 . 2]" 1
847 1 56 LYS HB2 1 56 LYS QE 1.800 . 5.040 3.912 2.193 4.238 . 0 0 "[ . 1 . 2]" 1
848 1 56 LYS QE 1 56 LYS HG3 1.800 . 4.110 2.501 2.265 3.427 . 0 0 "[ . 1 . 2]" 1
849 1 56 LYS HG3 1 57 SER H 1.800 . 4.980 2.935 2.273 4.810 . 0 0 "[ . 1 . 2]" 1
850 1 56 LYS QE 1 56 LYS HG2 1.800 . 4.110 2.565 2.294 3.307 . 0 0 "[ . 1 . 2]" 1
851 1 56 LYS HG2 1 57 SER H 1.800 . 4.980 2.915 2.260 4.551 . 0 0 "[ . 1 . 2]" 1
852 1 56 LYS H 1 56 LYS QB 1.800 . 3.510 2.533 2.242 2.914 . 0 0 "[ . 1 . 2]" 1
853 1 56 LYS H 1 56 LYS QD 1.800 . 5.330 3.662 1.857 4.398 . 0 0 "[ . 1 . 2]" 1
854 1 56 LYS H 1 56 LYS QG 1.800 . 3.830 2.124 1.774 3.943 0.113 4 0 "[ . 1 . 2]" 1
855 1 57 SER HA 1 58 TYR HA 1.800 . 5.210 4.629 4.562 4.678 . 0 0 "[ . 1 . 2]" 1
856 1 57 SER HA 1 59 ILE H 1.800 . 5.250 4.002 3.723 4.813 . 0 0 "[ . 1 . 2]" 1
857 1 57 SER QB 1 58 TYR HA 1.800 . 4.790 4.246 3.980 4.686 . 0 0 "[ . 1 . 2]" 1
858 1 57 SER QB 1 58 TYR QD 1.800 . 5.400 3.120 2.419 4.048 . 0 0 "[ . 1 . 2]" 1
859 1 57 SER QB 1 58 TYR QE 1.800 . 4.430 3.428 2.882 4.101 . 0 0 "[ . 1 . 2]" 1
860 1 57 SER QB 1 58 TYR H 1.800 . 4.460 2.922 2.515 3.706 . 0 0 "[ . 1 . 2]" 1
861 1 57 SER H 1 57 SER QB 1.800 . 3.480 2.410 2.215 2.603 . 0 0 "[ . 1 . 2]" 1
862 1 57 SER H 1 58 TYR H 1.800 . 3.890 2.696 2.562 2.788 . 0 0 "[ . 1 . 2]" 1
863 1 58 TYR HA 1 58 TYR QD 1.800 . 4.160 2.725 2.319 3.061 . 0 0 "[ . 1 . 2]" 1
864 1 58 TYR QB 1 59 ILE QG 1.800 . 5.870 3.458 2.920 4.367 . 0 0 "[ . 1 . 2]" 1
865 1 58 TYR HB3 1 59 ILE H 1.800 . 5.350 4.281 3.874 4.454 . 0 0 "[ . 1 . 2]" 1
866 1 58 TYR HB2 1 59 ILE H 1.800 . 5.350 3.603 2.962 3.881 . 0 0 "[ . 1 . 2]" 1
867 1 58 TYR H 1 58 TYR QB 1.800 . 3.630 2.432 2.258 2.650 . 0 0 "[ . 1 . 2]" 1
868 1 58 TYR H 1 59 ILE HB 1.800 . 5.460 4.288 3.971 4.523 . 0 0 "[ . 1 . 2]" 1
869 1 58 TYR H 1 59 ILE QG 1.800 . 5.510 4.106 3.363 5.189 . 0 0 "[ . 1 . 2]" 1
870 1 58 TYR H 1 59 ILE H 1.800 . 3.360 2.369 1.860 2.639 . 0 0 "[ . 1 . 2]" 1
871 1 59 ILE HA 1 59 ILE MD 1.800 . 4.570 2.712 2.099 3.821 . 0 0 "[ . 1 . 2]" 1
872 1 59 ILE HA 1 59 ILE HG13 1.800 . 4.420 3.069 2.322 3.767 . 0 0 "[ . 1 . 2]" 1
873 1 59 ILE HA 1 59 ILE HG12 1.800 . 4.420 3.043 2.493 3.671 . 0 0 "[ . 1 . 2]" 1
874 1 59 ILE HA 1 60 THR H 1.800 . 3.000 2.136 2.118 2.159 . 0 0 "[ . 1 . 2]" 1
875 1 59 ILE HB 1 60 THR H 1.800 . 5.640 4.245 4.171 4.381 . 0 0 "[ . 1 . 2]" 1
876 1 59 ILE QG 1 60 THR H 1.800 . 5.630 4.186 3.791 4.650 . 0 0 "[ . 1 . 2]" 1
877 1 59 ILE MD 1 59 ILE MG 1.800 . 3.380 2.346 1.800 3.249 . 0 0 "[ . 1 . 2]" 1
878 1 59 ILE QG 1 59 ILE MG 1.800 . 3.590 2.257 2.045 2.472 . 0 0 "[ . 1 . 2]" 1
879 1 59 ILE MG 1 60 THR HA 1.800 . 5.360 3.604 3.486 3.741 . 0 0 "[ . 1 . 2]" 1
880 1 59 ILE MG 1 60 THR H 1.800 . 3.870 2.566 2.465 2.666 . 0 0 "[ . 1 . 2]" 1
881 1 59 ILE MG 1 61 ILE HA 1.800 . 5.480 4.110 3.903 4.269 . 0 0 "[ . 1 . 2]" 1
882 1 59 ILE H 1 59 ILE HB 1.800 . 3.650 2.552 2.389 2.692 . 0 0 "[ . 1 . 2]" 1
883 1 59 ILE H 1 59 ILE MD 1.800 . 4.940 3.430 2.025 4.171 . 0 0 "[ . 1 . 2]" 1
884 1 59 ILE H 1 59 ILE QG 1.800 . 4.180 3.180 2.735 3.885 . 0 0 "[ . 1 . 2]" 1
885 1 59 ILE H 1 59 ILE MG 1.800 . 4.770 3.788 3.632 3.858 . 0 0 "[ . 1 . 2]" 1
886 1 59 ILE H 1 60 THR H 1.800 . 5.370 4.372 4.312 4.510 . 0 0 "[ . 1 . 2]" 1
887 1 60 THR HA 1 60 THR MG 1.800 . 3.760 2.311 2.289 2.344 . 0 0 "[ . 1 . 2]" 1
888 1 60 THR HA 1 61 ILE QG 1.800 . 5.210 3.665 3.491 4.770 . 0 0 "[ . 1 . 2]" 1
889 1 60 THR HA 1 61 ILE MG 1.800 . 5.960 5.436 5.408 5.469 . 0 0 "[ . 1 . 2]" 1
890 1 60 THR HA 1 61 ILE H 1.800 . 3.300 2.151 2.134 2.175 . 0 0 "[ . 1 . 2]" 1
891 1 60 THR HB 1 61 ILE H 1.800 . 4.890 4.141 3.263 4.253 . 0 0 "[ . 1 . 2]" 1
892 1 60 THR MG 1 61 ILE H 1.800 . 4.200 2.680 2.490 3.967 . 0 0 "[ . 1 . 2]" 1
893 1 60 THR H 1 60 THR HB 1.800 . 4.010 2.678 2.551 3.706 . 0 0 "[ . 1 . 2]" 1
894 1 60 THR H 1 60 THR MG 1.800 . 4.490 3.785 2.687 3.876 . 0 0 "[ . 1 . 2]" 1
895 1 61 ILE HA 1 61 ILE MD 1.800 . 5.580 3.077 2.078 3.828 . 0 0 "[ . 1 . 2]" 1
896 1 61 ILE HA 1 61 ILE QG 1.800 . 3.960 2.665 2.361 3.096 . 0 0 "[ . 1 . 2]" 1
897 1 61 ILE HA 1 61 ILE MG 1.800 . 3.770 2.322 2.244 2.399 . 0 0 "[ . 1 . 2]" 1
898 1 61 ILE HA 1 62 VAL H 1.800 . 3.070 2.160 2.145 2.180 . 0 0 "[ . 1 . 2]" 1
899 1 61 ILE HB 1 62 VAL H 1.800 . 5.090 4.158 4.000 4.284 . 0 0 "[ . 1 . 2]" 1
900 1 61 ILE HG13 1 61 ILE MG 1.800 . 4.110 2.801 2.278 3.197 . 0 0 "[ . 1 . 2]" 1
901 1 61 ILE HG12 1 61 ILE MG 1.800 . 4.110 2.674 2.265 3.201 . 0 0 "[ . 1 . 2]" 1
902 1 61 ILE MG 1 62 VAL H 1.800 . 4.070 2.595 2.483 2.753 . 0 0 "[ . 1 . 2]" 1
903 1 61 ILE MG 1 64 GLU HA 1.800 . 5.790 4.323 2.475 5.806 0.016 14 0 "[ . 1 . 2]" 1
904 1 61 ILE MG 1 64 GLU QG 1.800 . 4.740 3.794 2.427 4.802 0.062 6 0 "[ . 1 . 2]" 1
905 1 61 ILE MG 1 64 GLU H 1.800 . 5.130 4.391 3.265 5.185 0.055 10 0 "[ . 1 . 2]" 1
906 1 61 ILE H 1 61 ILE HB 1.800 . 3.600 2.496 2.373 2.624 . 0 0 "[ . 1 . 2]" 1
907 1 61 ILE H 1 61 ILE MD 1.800 . 5.100 3.150 1.779 3.587 0.021 10 0 "[ . 1 . 2]" 1
908 1 61 ILE H 1 61 ILE QG 1.800 . 3.810 2.265 2.000 3.343 . 0 0 "[ . 1 . 2]" 1
909 1 61 ILE H 1 61 ILE MG 1.800 . 4.640 3.756 3.737 3.783 . 0 0 "[ . 1 . 2]" 1
910 1 62 VAL HA 1 62 VAL MG1 1.800 . 3.480 2.322 2.248 2.391 . 0 0 "[ . 1 . 2]" 1
911 1 62 VAL HA 1 62 VAL MG2 1.800 . 3.730 2.632 2.274 3.197 . 0 0 "[ . 1 . 2]" 1
912 1 62 VAL HA 1 63 ASN HA 1.800 . 4.970 4.389 4.336 4.465 . 0 0 "[ . 1 . 2]" 1
913 1 62 VAL HA 1 63 ASN H 1.800 . 3.420 2.181 2.137 2.269 . 0 0 "[ . 1 . 2]" 1
914 1 62 VAL HB 1 63 ASN H 1.800 . 4.610 3.797 2.839 4.227 . 0 0 "[ . 1 . 2]" 1
915 1 62 VAL MG1 1 63 ASN H 1.800 . 4.470 2.964 2.104 3.964 . 0 0 "[ . 1 . 2]" 1
916 1 62 VAL H 1 62 VAL HB 1.800 . 4.150 2.862 2.398 3.720 . 0 0 "[ . 1 . 2]" 1
917 1 62 VAL H 1 62 VAL MG1 1.800 . 3.810 3.322 2.223 3.773 . 0 0 "[ . 1 . 2]" 1
918 1 62 VAL H 1 62 VAL MG2 1.800 . 4.060 2.105 1.785 2.555 0.015 10 0 "[ . 1 . 2]" 1
919 1 63 ASN HA 1 64 GLU H 1.800 . 2.960 2.553 2.138 3.028 0.068 14 0 "[ . 1 . 2]" 1
920 1 63 ASN H 1 63 ASN QB 1.800 . 3.880 2.942 2.365 3.394 . 0 0 "[ . 1 . 2]" 1
921 1 64 GLU QG 1 65 GLY H 1.800 . 5.420 3.998 2.250 4.720 . 0 0 "[ . 1 . 2]" 1
922 1 64 GLU H 1 64 GLU QB 1.800 . 3.760 2.550 2.197 3.303 . 0 0 "[ . 1 . 2]" 1
923 1 64 GLU H 1 64 GLU QG 1.800 . 5.220 2.863 2.040 4.100 . 0 0 "[ . 1 . 2]" 1
924 1 67 LEU HA 1 67 LEU QD 1.800 . 3.960 2.362 1.995 3.395 . 0 0 "[ . 1 . 2]" 1
925 1 67 LEU HA 1 68 GLU H 1.800 . 3.750 2.825 2.126 3.545 . 0 0 "[ . 1 . 2]" 1
926 1 67 LEU HB3 1 67 LEU MD1 1.800 . 4.580 2.712 2.241 3.218 . 0 0 "[ . 1 . 2]" 1
927 1 67 LEU HB3 1 67 LEU MD2 1.800 . 4.580 2.534 2.201 3.214 . 0 0 "[ . 1 . 2]" 1
928 1 67 LEU HB2 1 67 LEU MD1 1.800 . 4.580 2.529 2.202 3.231 . 0 0 "[ . 1 . 2]" 1
929 1 67 LEU HB2 1 67 LEU MD2 1.800 . 4.580 2.665 2.238 3.215 . 0 0 "[ . 1 . 2]" 1
930 1 67 LEU H 1 67 LEU QB 1.800 . 3.920 2.547 2.247 3.363 . 0 0 "[ . 1 . 2]" 1
931 1 68 GLU H 1 68 GLU QB 1.800 . 3.830 2.622 2.235 3.333 . 0 0 "[ . 1 . 2]" 1
932 1 68 GLU H 1 68 GLU QG 1.800 . 4.960 3.365 2.090 4.406 . 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 36
_Distance_constraint_stats_list.Viol_count 190
_Distance_constraint_stats_list.Viol_total 172.805
_Distance_constraint_stats_list.Viol_max 0.183
_Distance_constraint_stats_list.Viol_rms 0.0295
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0120
_Distance_constraint_stats_list.Viol_average_violations_only 0.0455
_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 3 GLY 0.382 0.067 12 0 "[ . 1 . 2]"
1 4 VAL 1.549 0.102 2 0 "[ . 1 . 2]"
1 5 VAL 0.159 0.044 18 0 "[ . 1 . 2]"
1 11 LEU 0.534 0.076 1 0 "[ . 1 . 2]"
1 13 MET 0.517 0.125 3 0 "[ . 1 . 2]"
1 14 ARG 1.440 0.094 1 0 "[ . 1 . 2]"
1 24 ILE 0.517 0.125 3 0 "[ . 1 . 2]"
1 27 LEU 0.534 0.076 1 0 "[ . 1 . 2]"
1 30 ASN 0.159 0.044 18 0 "[ . 1 . 2]"
1 33 VAL 0.382 0.067 12 0 "[ . 1 . 2]"
1 34 GLU 2.873 0.183 7 0 "[ . 1 . 2]"
1 37 LYS 0.037 0.014 13 0 "[ . 1 . 2]"
1 39 VAL 0.185 0.056 11 0 "[ . 1 . 2]"
1 42 TRP 0.185 0.056 11 0 "[ . 1 . 2]"
1 43 TYR 0.609 0.100 2 0 "[ . 1 . 2]"
1 44 GLU 0.037 0.014 13 0 "[ . 1 . 2]"
1 45 ILE 0.156 0.038 13 0 "[ . 1 . 2]"
1 46 ARG 2.873 0.183 7 0 "[ . 1 . 2]"
1 47 PHE 0.201 0.107 5 0 "[ . 1 . 2]"
1 50 LYS 0.201 0.107 5 0 "[ . 1 . 2]"
1 52 GLY 0.156 0.038 13 0 "[ . 1 . 2]"
1 53 TYR 1.440 0.094 1 0 "[ . 1 . 2]"
1 54 ALA 0.609 0.100 2 0 "[ . 1 . 2]"
1 60 THR 1.549 0.102 2 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 3 GLY H 1 33 VAL O 1.700 . 2.300 2.237 2.075 2.347 0.047 17 0 "[ . 1 . 2]" 2
2 1 3 GLY N 1 33 VAL O 2.700 2.700 3.300 3.018 2.808 3.256 . 0 0 "[ . 1 . 2]" 2
3 1 4 VAL H 1 60 THR O 1.700 . 2.300 2.335 2.039 2.402 0.102 2 0 "[ . 1 . 2]" 2
4 1 4 VAL N 1 60 THR O 2.700 2.700 3.300 3.286 3.014 3.363 0.063 3 0 "[ . 1 . 2]" 2
5 1 11 LEU H 1 27 LEU O 1.700 . 2.300 2.090 1.836 2.353 0.053 20 0 "[ . 1 . 2]" 2
6 1 11 LEU N 1 27 LEU O 2.700 2.700 3.300 3.006 2.713 3.304 0.004 20 0 "[ . 1 . 2]" 2
7 1 14 ARG H 1 53 TYR O 1.700 . 2.300 2.257 1.988 2.393 0.093 19 0 "[ . 1 . 2]" 2
8 1 14 ARG N 1 53 TYR O 2.700 2.700 3.300 3.186 2.855 3.367 0.067 19 0 "[ . 1 . 2]" 2
9 1 13 MET O 1 24 ILE H 1.700 . 2.300 2.238 1.926 2.425 0.125 3 0 "[ . 1 . 2]" 2
10 1 13 MET O 1 24 ILE N 2.700 2.700 3.300 3.165 2.886 3.348 0.048 3 0 "[ . 1 . 2]" 2
11 1 11 LEU O 1 27 LEU H 1.700 . 2.300 1.796 1.700 2.000 . 0 0 "[ . 1 . 2]" 2
12 1 11 LEU O 1 27 LEU N 2.700 2.700 3.300 2.696 2.624 2.806 0.076 1 0 "[ . 1 . 2]" 2
13 1 5 VAL O 1 30 ASN H 1.700 . 2.300 2.159 1.867 2.344 0.044 18 0 "[ . 1 . 2]" 2
14 1 5 VAL O 1 30 ASN N 2.700 2.700 3.300 2.904 2.661 3.144 0.039 8 0 "[ . 1 . 2]" 2
15 1 3 GLY O 1 33 VAL H 1.700 . 2.300 2.193 1.808 2.367 0.067 12 0 "[ . 1 . 2]" 2
16 1 3 GLY O 1 33 VAL N 2.700 2.700 3.300 3.153 2.762 3.310 0.010 10 0 "[ . 1 . 2]" 2
17 1 39 VAL H 1 42 TRP O 1.700 . 2.300 1.892 1.829 2.100 . 0 0 "[ . 1 . 2]" 2
18 1 39 VAL N 1 42 TRP O 2.700 2.700 3.300 2.764 2.702 2.965 . 0 0 "[ . 1 . 2]" 2
19 1 39 VAL O 1 42 TRP H 1.700 . 2.300 1.872 1.737 2.060 . 0 0 "[ . 1 . 2]" 2
20 1 39 VAL O 1 42 TRP N 2.700 2.700 3.300 2.710 2.644 2.795 0.056 11 0 "[ . 1 . 2]" 2
21 1 45 ILE H 1 52 GLY O 1.700 . 2.300 2.161 1.775 2.338 0.038 13 0 "[ . 1 . 2]" 2
22 1 45 ILE N 1 52 GLY O 2.700 2.700 3.300 3.083 2.725 3.268 . 0 0 "[ . 1 . 2]" 2
23 1 37 LYS O 1 44 GLU H 1.700 . 2.300 1.971 1.751 2.205 . 0 0 "[ . 1 . 2]" 2
24 1 37 LYS O 1 44 GLU N 2.700 2.700 3.300 2.890 2.686 3.145 0.014 13 0 "[ . 1 . 2]" 2
25 1 34 GLU O 1 46 ARG H 1.700 . 2.300 2.436 2.319 2.483 0.183 7 0 "[ . 1 . 2]" 2
26 1 34 GLU O 1 46 ARG N 2.700 2.700 3.300 3.253 3.068 3.343 0.043 8 0 "[ . 1 . 2]" 2
27 1 47 PHE O 1 50 LYS H 1.700 . 2.300 1.904 1.708 2.102 . 0 0 "[ . 1 . 2]" 2
28 1 47 PHE O 1 50 LYS N 2.700 2.700 3.300 2.774 2.593 2.950 0.107 5 0 "[ . 1 . 2]" 2
29 1 45 ILE O 1 52 GLY H 1.700 . 2.300 2.124 1.792 2.330 0.030 17 0 "[ . 1 . 2]" 2
30 1 45 ILE O 1 52 GLY N 2.700 2.700 3.300 3.067 2.714 3.282 . 0 0 "[ . 1 . 2]" 2
31 1 14 ARG O 1 53 TYR H 1.700 . 2.300 1.773 1.653 1.981 0.047 1 0 "[ . 1 . 2]" 2
32 1 14 ARG O 1 53 TYR N 2.700 2.700 3.300 2.670 2.606 2.797 0.094 1 0 "[ . 1 . 2]" 2
33 1 43 TYR O 1 54 ALA H 1.700 . 2.300 2.297 2.025 2.400 0.100 2 0 "[ . 1 . 2]" 2
34 1 43 TYR O 1 54 ALA N 2.700 2.700 3.300 3.160 2.863 3.303 0.003 2 0 "[ . 1 . 2]" 2
35 1 4 VAL O 1 60 THR H 1.700 . 2.300 2.234 2.043 2.358 0.058 9 0 "[ . 1 . 2]" 2
36 1 4 VAL O 1 60 THR N 2.700 2.700 3.300 3.191 3.018 3.312 0.012 7 0 "[ . 1 . 2]" 2
stop_
save_
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