NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
370094 |
1blq   |
4401 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1blq
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 771
_Distance_constraint_stats_list.Viol_count 469
_Distance_constraint_stats_list.Viol_total 528.806
_Distance_constraint_stats_list.Viol_max 0.454
_Distance_constraint_stats_list.Viol_rms 0.0083
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0389
_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 ALA 0.169 0.119 2 0 "[ . 1 . 2 . ]"
1 2 SER 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 3 MET 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 4 THR 0.152 0.048 2 0 "[ . 1 . 2 . ]"
1 5 ASP 0.347 0.119 2 0 "[ . 1 . 2 . ]"
1 6 GLN 0.004 0.004 1 0 "[ . 1 . 2 . ]"
1 7 GLN 0.003 0.003 24 0 "[ . 1 . 2 . ]"
1 8 ALA 0.025 0.025 17 0 "[ . 1 . 2 . ]"
1 9 GLU 0.003 0.003 24 0 "[ . 1 . 2 . ]"
1 10 ALA 1.141 0.211 29 0 "[ . 1 . 2 . ]"
1 11 ARG 0.026 0.026 17 0 "[ . 1 . 2 . ]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 13 PHE 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 14 LEU 1.556 0.181 17 0 "[ . 1 . 2 . ]"
1 15 SER 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 16 GLU 0.087 0.087 10 0 "[ . 1 . 2 . ]"
1 17 GLU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 18 MET 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 19 ILE 0.118 0.087 10 0 "[ . 1 . 2 . ]"
1 20 ALA 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 21 GLU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 22 PHE 0.001 0.001 13 0 "[ . 1 . 2 . ]"
1 23 LYS 0.114 0.021 25 0 "[ . 1 . 2 . ]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 26 PHE 0.237 0.057 17 0 "[ . 1 . 2 . ]"
1 27 ASP 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 28 MET 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 29 PHE 0.045 0.017 7 0 "[ . 1 . 2 . ]"
1 30 ASP 0.136 0.050 13 0 "[ . 1 . 2 . ]"
1 31 ALA 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 32 ASP 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 33 GLY 0.011 0.011 23 0 "[ . 1 . 2 . ]"
1 34 GLY 0.070 0.022 28 0 "[ . 1 . 2 . ]"
1 35 GLY 0.011 0.011 23 0 "[ . 1 . 2 . ]"
1 36 ASP 0.245 0.050 13 0 "[ . 1 . 2 . ]"
1 37 ILE 0.209 0.057 5 0 "[ . 1 . 2 . ]"
1 38 SER 0.039 0.039 1 0 "[ . 1 . 2 . ]"
1 39 THR 0.845 0.112 16 0 "[ . 1 . 2 . ]"
1 40 LYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 41 GLU 0.197 0.089 9 0 "[ . 1 . 2 . ]"
1 42 LEU 0.218 0.054 26 0 "[ . 1 . 2 . ]"
1 43 GLY 0.324 0.157 12 0 "[ . 1 . 2 . ]"
1 44 THR 0.859 0.094 22 0 "[ . 1 . 2 . ]"
1 45 VAL 1.389 0.454 7 0 "[ . 1 . 2 . ]"
1 46 MET 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 47 ARG 0.511 0.083 7 0 "[ . 1 . 2 . ]"
1 48 MET 1.321 0.454 7 0 "[ . 1 . 2 . ]"
1 49 LEU 0.039 0.039 6 0 "[ . 1 . 2 . ]"
1 50 GLY 0.024 0.024 21 0 "[ . 1 . 2 . ]"
1 51 GLN 0.463 0.112 22 0 "[ . 1 . 2 . ]"
1 52 ASN 1.547 0.112 22 0 "[ . 1 . 2 . ]"
1 53 PRO 1.329 0.075 15 0 "[ . 1 . 2 . ]"
1 54 THR 2.136 0.144 7 0 "[ . 1 . 2 . ]"
1 55 LYS 1.292 0.144 7 0 "[ . 1 . 2 . ]"
1 56 GLU 1.140 0.096 24 0 "[ . 1 . 2 . ]"
1 57 GLU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 58 LEU 2.689 0.157 12 0 "[ . 1 . 2 . ]"
1 59 ASP 0.325 0.053 22 0 "[ . 1 . 2 . ]"
1 60 ALA 0.476 0.039 6 0 "[ . 1 . 2 . ]"
1 61 ILE 1.487 0.134 5 0 "[ . 1 . 2 . ]"
1 62 ILE 2.114 0.169 8 0 "[ . 1 . 2 . ]"
1 63 GLU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 64 GLU 0.528 0.046 12 0 "[ . 1 . 2 . ]"
1 65 VAL 1.072 0.177 21 0 "[ . 1 . 2 . ]"
1 66 ASP 1.204 0.169 8 0 "[ . 1 . 2 . ]"
1 67 GLU 0.633 0.177 21 0 "[ . 1 . 2 . ]"
1 68 ASP 0.051 0.045 20 0 "[ . 1 . 2 . ]"
1 69 GLY 0.137 0.093 20 0 "[ . 1 . 2 . ]"
1 70 SER 0.310 0.067 16 0 "[ . 1 . 2 . ]"
1 71 GLY 0.286 0.093 20 0 "[ . 1 . 2 . ]"
1 72 THR 0.401 0.099 6 0 "[ . 1 . 2 . ]"
1 73 ILE 0.463 0.159 11 0 "[ . 1 . 2 . ]"
1 74 ASP 0.200 0.040 6 0 "[ . 1 . 2 . ]"
1 75 PHE 0.165 0.026 16 0 "[ . 1 . 2 . ]"
1 76 GLU 0.075 0.075 2 0 "[ . 1 . 2 . ]"
1 77 GLU 0.254 0.093 19 0 "[ . 1 . 2 . ]"
1 78 PHE 0.192 0.057 17 0 "[ . 1 . 2 . ]"
1 79 LEU 0.621 0.170 11 0 "[ . 1 . 2 . ]"
1 80 VAL 0.249 0.093 19 0 "[ . 1 . 2 . ]"
1 81 MET 0.019 0.019 4 0 "[ . 1 . 2 . ]"
1 82 MET 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 83 VAL 1.961 0.211 29 0 "[ . 1 . 2 . ]"
1 84 ARG 0.019 0.019 24 0 "[ . 1 . 2 . ]"
1 85 GLN 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 86 MET 0.297 0.049 21 0 "[ . 1 . 2 . ]"
1 87 LYS 0.452 0.077 4 0 "[ . 1 . 2 . ]"
1 88 GLU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 89 ASP 0.703 0.077 4 0 "[ . 1 . 2 . ]"
1 90 ALA 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 ALA MB 1 2 SER HA 3.900 . 6.000 4.284 3.661 5.018 . 0 0 "[ . 1 . 2 . ]" 1
2 1 1 ALA MB 1 2 SER QB 4.400 . 7.000 4.079 3.014 4.898 . 0 0 "[ . 1 . 2 . ]" 1
3 1 1 ALA MB 1 4 THR H 3.900 . 6.000 4.448 3.544 4.978 . 0 0 "[ . 1 . 2 . ]" 1
4 1 1 ALA MB 1 5 ASP QB 4.400 . 7.000 3.403 1.681 5.036 0.119 2 0 "[ . 1 . 2 . ]" 1
5 1 1 ALA MB 1 6 GLN QG 4.400 . 7.000 4.214 2.484 4.987 . 0 0 "[ . 1 . 2 . ]" 1
6 1 2 SER QB 1 3 MET ME 4.400 . 7.000 4.707 3.574 5.156 . 0 0 "[ . 1 . 2 . ]" 1
7 1 2 SER QB 1 4 THR MG 4.400 . 7.000 4.556 3.075 5.233 . 0 0 "[ . 1 . 2 . ]" 1
8 1 2 SER QB 1 6 GLN QB 4.400 . 7.000 5.018 3.901 5.638 . 0 0 "[ . 1 . 2 . ]" 1
9 1 3 MET HA 1 3 MET ME 3.900 . 6.000 3.375 1.919 4.654 . 0 0 "[ . 1 . 2 . ]" 1
10 1 3 MET HA 1 80 VAL QG 4.600 . 7.400 4.683 3.751 5.418 . 0 0 "[ . 1 . 2 . ]" 1
11 1 3 MET ME 1 77 GLU HA 3.900 . 6.000 4.403 2.965 4.947 . 0 0 "[ . 1 . 2 . ]" 1
12 1 4 THR H 1 4 THR HB 3.400 . 5.000 2.506 2.324 3.067 . 0 0 "[ . 1 . 2 . ]" 1
13 1 4 THR H 1 4 THR MG 3.900 . 6.000 3.073 1.806 3.764 . 0 0 "[ . 1 . 2 . ]" 1
14 1 4 THR H 1 5 ASP H 3.400 . 5.000 3.210 2.476 4.100 . 0 0 "[ . 1 . 2 . ]" 1
15 1 4 THR H 1 5 ASP QB 3.900 . 6.000 4.826 4.202 5.394 . 0 0 "[ . 1 . 2 . ]" 1
16 1 4 THR HA 1 5 ASP H 3.400 . 5.000 3.510 3.101 3.594 . 0 0 "[ . 1 . 2 . ]" 1
17 1 4 THR MG 1 5 ASP H 3.900 . 6.000 1.972 1.752 2.505 0.048 2 0 "[ . 1 . 2 . ]" 1
18 1 4 THR MG 1 5 ASP QB 3.870 . 5.940 3.213 2.506 3.773 . 0 0 "[ . 1 . 2 . ]" 1
19 1 4 THR MG 1 6 GLN H 3.900 . 6.000 3.722 1.838 4.313 . 0 0 "[ . 1 . 2 . ]" 1
20 1 4 THR MG 1 6 GLN QB 4.400 . 7.000 4.771 2.814 5.230 . 0 0 "[ . 1 . 2 . ]" 1
21 1 4 THR MG 1 7 GLN H 3.900 . 6.000 4.576 3.422 4.911 . 0 0 "[ . 1 . 2 . ]" 1
22 1 4 THR MG 1 7 GLN HE21 3.900 . 6.000 4.092 2.900 4.872 . 0 0 "[ . 1 . 2 . ]" 1
23 1 4 THR MG 1 7 GLN HE22 3.900 . 6.000 4.656 3.229 5.070 . 0 0 "[ . 1 . 2 . ]" 1
24 1 4 THR MG 1 8 ALA H 3.900 . 6.000 4.696 4.388 4.960 . 0 0 "[ . 1 . 2 . ]" 1
25 1 5 ASP H 1 5 ASP QB 3.360 . 4.920 2.234 2.069 2.582 . 0 0 "[ . 1 . 2 . ]" 1
26 1 5 ASP H 1 6 GLN H 3.400 . 5.000 2.659 2.232 2.898 . 0 0 "[ . 1 . 2 . ]" 1
27 1 5 ASP HA 1 6 GLN H 3.400 . 5.000 3.492 3.433 3.587 . 0 0 "[ . 1 . 2 . ]" 1
28 1 5 ASP HA 1 8 ALA H 3.400 . 5.000 3.226 2.698 4.214 . 0 0 "[ . 1 . 2 . ]" 1
29 1 5 ASP HA 1 8 ALA MB 3.900 . 6.000 2.144 1.775 3.173 0.025 17 0 "[ . 1 . 2 . ]" 1
30 1 5 ASP QB 1 6 GLN H 3.360 . 4.920 2.876 2.177 3.553 . 0 0 "[ . 1 . 2 . ]" 1
31 1 5 ASP QB 1 8 ALA MB 4.400 . 7.000 3.772 2.964 4.726 . 0 0 "[ . 1 . 2 . ]" 1
32 1 6 GLN H 1 6 GLN QB 3.360 . 4.920 2.173 2.030 2.604 . 0 0 "[ . 1 . 2 . ]" 1
33 1 6 GLN H 1 6 GLN QG 3.360 . 4.920 3.780 1.862 4.071 . 0 0 "[ . 1 . 2 . ]" 1
34 1 6 GLN H 1 7 GLN H 3.400 . 5.000 2.858 2.286 3.146 . 0 0 "[ . 1 . 2 . ]" 1
35 1 6 GLN H 1 8 ALA H 3.400 . 5.000 3.844 3.677 4.175 . 0 0 "[ . 1 . 2 . ]" 1
36 1 6 GLN HA 1 6 GLN QG 3.360 . 4.920 2.208 1.965 2.627 . 0 0 "[ . 1 . 2 . ]" 1
37 1 6 GLN HA 1 7 GLN H 3.400 . 5.000 3.573 3.510 3.593 . 0 0 "[ . 1 . 2 . ]" 1
38 1 6 GLN HA 1 9 GLU H 3.400 . 5.000 3.933 3.371 4.714 . 0 0 "[ . 1 . 2 . ]" 1
39 1 6 GLN QB 1 6 GLN HE22 3.900 . 6.000 3.765 3.133 4.353 . 0 0 "[ . 1 . 2 . ]" 1
40 1 6 GLN QB 1 7 GLN H 3.900 . 6.000 2.341 1.861 2.744 . 0 0 "[ . 1 . 2 . ]" 1
41 1 6 GLN QB 1 80 VAL QG 3.770 . 5.740 3.142 2.530 3.430 . 0 0 "[ . 1 . 2 . ]" 1
42 1 6 GLN HE21 1 80 VAL QG 4.600 . 7.400 3.805 2.030 5.100 . 0 0 "[ . 1 . 2 . ]" 1
43 1 6 GLN HE22 1 6 GLN QG 3.360 . 4.920 3.336 3.272 3.509 . 0 0 "[ . 1 . 2 . ]" 1
44 1 6 GLN QG 1 7 GLN H 3.900 . 6.000 3.924 3.242 4.451 . 0 0 "[ . 1 . 2 . ]" 1
45 1 6 GLN QG 1 7 GLN QB 4.400 . 7.000 4.988 3.781 5.587 . 0 0 "[ . 1 . 2 . ]" 1
46 1 6 GLN QG 1 80 VAL QG 5.570 . 9.340 2.638 1.796 4.795 0.004 1 0 "[ . 1 . 2 . ]" 1
47 1 7 GLN H 1 7 GLN QB 3.360 . 4.920 2.395 2.111 2.798 . 0 0 "[ . 1 . 2 . ]" 1
48 1 7 GLN H 1 7 GLN QG 3.900 . 6.000 2.906 1.851 4.057 . 0 0 "[ . 1 . 2 . ]" 1
49 1 7 GLN H 1 8 ALA H 3.400 . 5.000 2.557 2.330 2.854 . 0 0 "[ . 1 . 2 . ]" 1
50 1 7 GLN H 1 9 GLU H 3.400 . 5.000 4.446 3.920 5.003 0.003 24 0 "[ . 1 . 2 . ]" 1
51 1 7 GLN H 1 80 VAL QG 4.600 . 7.400 3.860 3.247 4.500 . 0 0 "[ . 1 . 2 . ]" 1
52 1 7 GLN HA 1 8 ALA H 3.400 . 5.000 3.463 3.210 3.563 . 0 0 "[ . 1 . 2 . ]" 1
53 1 7 GLN HA 1 10 ALA H 3.400 . 5.000 3.455 2.958 4.400 . 0 0 "[ . 1 . 2 . ]" 1
54 1 7 GLN HA 1 10 ALA MB 3.900 . 6.000 2.708 2.086 3.917 . 0 0 "[ . 1 . 2 . ]" 1
55 1 7 GLN HA 1 80 VAL QG 4.600 . 7.400 2.670 1.966 3.477 . 0 0 "[ . 1 . 2 . ]" 1
56 1 7 GLN QB 1 8 ALA H 3.360 . 4.920 3.273 2.644 3.887 . 0 0 "[ . 1 . 2 . ]" 1
57 1 7 GLN QB 1 8 ALA MB 4.400 . 7.000 4.425 3.923 4.980 . 0 0 "[ . 1 . 2 . ]" 1
58 1 7 GLN QB 1 11 ARG QD 4.400 . 7.000 4.577 2.455 5.425 . 0 0 "[ . 1 . 2 . ]" 1
59 1 7 GLN QB 1 80 VAL QG 5.100 . 8.400 3.342 1.879 4.351 . 0 0 "[ . 1 . 2 . ]" 1
60 1 7 GLN QG 1 8 ALA H 3.900 . 6.000 3.289 1.855 4.709 . 0 0 "[ . 1 . 2 . ]" 1
61 1 8 ALA H 1 9 GLU H 3.400 . 5.000 2.685 2.299 3.015 . 0 0 "[ . 1 . 2 . ]" 1
62 1 8 ALA H 1 10 ALA H 3.400 . 5.000 4.176 3.595 4.957 . 0 0 "[ . 1 . 2 . ]" 1
63 1 8 ALA HA 1 9 GLU H 3.400 . 5.000 3.531 3.306 3.590 . 0 0 "[ . 1 . 2 . ]" 1
64 1 8 ALA HA 1 11 ARG QB 3.900 . 6.000 3.058 2.183 4.499 . 0 0 "[ . 1 . 2 . ]" 1
65 1 8 ALA HA 1 11 ARG QD 3.900 . 6.000 4.203 2.628 5.053 . 0 0 "[ . 1 . 2 . ]" 1
66 1 8 ALA MB 1 9 GLU H 3.900 . 6.000 2.586 1.850 3.281 . 0 0 "[ . 1 . 2 . ]" 1
67 1 8 ALA MB 1 9 GLU QB 4.400 . 7.000 3.996 3.535 4.564 . 0 0 "[ . 1 . 2 . ]" 1
68 1 8 ALA MB 1 9 GLU QG 4.400 . 7.000 3.952 2.874 5.165 . 0 0 "[ . 1 . 2 . ]" 1
69 1 8 ALA MB 1 12 ALA H 3.900 . 6.000 4.887 4.652 5.002 . 0 0 "[ . 1 . 2 . ]" 1
70 1 9 GLU H 1 9 GLU QG 3.360 . 4.920 3.086 1.862 4.000 . 0 0 "[ . 1 . 2 . ]" 1
71 1 9 GLU H 1 10 ALA H 3.400 . 5.000 2.638 2.318 3.172 . 0 0 "[ . 1 . 2 . ]" 1
72 1 9 GLU H 1 10 ALA MB 3.900 . 6.000 4.272 3.972 4.668 . 0 0 "[ . 1 . 2 . ]" 1
73 1 9 GLU H 1 11 ARG H 3.400 . 5.000 4.166 3.665 4.789 . 0 0 "[ . 1 . 2 . ]" 1
74 1 9 GLU HA 1 10 ALA H 3.400 . 5.000 3.543 3.433 3.594 . 0 0 "[ . 1 . 2 . ]" 1
75 1 9 GLU HA 1 11 ARG H 3.400 . 5.000 4.477 3.759 4.994 . 0 0 "[ . 1 . 2 . ]" 1
76 1 9 GLU HA 1 12 ALA H 3.400 . 5.000 3.497 3.136 3.786 . 0 0 "[ . 1 . 2 . ]" 1
77 1 9 GLU HA 1 12 ALA MB 3.900 . 6.000 2.650 2.055 3.352 . 0 0 "[ . 1 . 2 . ]" 1
78 1 9 GLU QB 1 10 ALA H 3.900 . 6.000 2.707 2.114 3.622 . 0 0 "[ . 1 . 2 . ]" 1
79 1 9 GLU QG 1 10 ALA H 3.360 . 4.920 3.993 2.013 4.453 . 0 0 "[ . 1 . 2 . ]" 1
80 1 10 ALA H 1 11 ARG H 3.400 . 5.000 2.708 2.285 3.165 . 0 0 "[ . 1 . 2 . ]" 1
81 1 10 ALA H 1 12 ALA H 3.400 . 5.000 4.033 3.499 4.486 . 0 0 "[ . 1 . 2 . ]" 1
82 1 10 ALA H 1 80 VAL QG 4.600 . 7.400 4.090 3.293 5.036 . 0 0 "[ . 1 . 2 . ]" 1
83 1 10 ALA H 1 83 VAL QG 3.800 . 5.800 3.873 3.303 4.222 . 0 0 "[ . 1 . 2 . ]" 1
84 1 10 ALA HA 1 11 ARG H 3.400 . 5.000 3.543 3.416 3.594 . 0 0 "[ . 1 . 2 . ]" 1
85 1 10 ALA HA 1 13 PHE H 3.400 . 5.000 4.015 3.592 4.504 . 0 0 "[ . 1 . 2 . ]" 1
86 1 10 ALA HA 1 14 LEU QD 4.600 . 7.400 3.645 2.270 4.848 . 0 0 "[ . 1 . 2 . ]" 1
87 1 10 ALA HA 1 14 LEU HG 3.400 . 5.000 4.510 3.531 5.052 0.052 17 0 "[ . 1 . 2 . ]" 1
88 1 10 ALA HA 1 83 VAL QG 3.800 . 5.800 1.948 1.650 2.386 0.150 4 0 "[ . 1 . 2 . ]" 1
89 1 10 ALA MB 1 11 ARG H 3.900 . 6.000 2.571 2.127 3.058 . 0 0 "[ . 1 . 2 . ]" 1
90 1 10 ALA MB 1 11 ARG HA 3.900 . 6.000 3.803 3.624 3.952 . 0 0 "[ . 1 . 2 . ]" 1
91 1 10 ALA MB 1 79 LEU QB 3.870 . 5.940 3.320 2.339 4.218 . 0 0 "[ . 1 . 2 . ]" 1
92 1 10 ALA MB 1 79 LEU QD 5.100 . 8.400 3.679 1.695 4.765 0.105 2 0 "[ . 1 . 2 . ]" 1
93 1 10 ALA MB 1 80 VAL H 3.900 . 6.000 3.946 3.201 4.777 . 0 0 "[ . 1 . 2 . ]" 1
94 1 10 ALA MB 1 80 VAL HA 3.900 . 6.000 2.248 1.816 3.005 . 0 0 "[ . 1 . 2 . ]" 1
95 1 10 ALA MB 1 80 VAL HB 3.900 . 6.000 3.557 2.591 4.839 . 0 0 "[ . 1 . 2 . ]" 1
96 1 10 ALA MB 1 80 VAL QG 5.100 . 8.400 2.554 2.065 3.348 . 0 0 "[ . 1 . 2 . ]" 1
97 1 10 ALA MB 1 83 VAL H 3.900 . 6.000 3.971 3.423 4.562 . 0 0 "[ . 1 . 2 . ]" 1
98 1 10 ALA MB 1 83 VAL HA 3.900 . 6.000 4.678 4.186 4.889 . 0 0 "[ . 1 . 2 . ]" 1
99 1 10 ALA MB 1 83 VAL HB 3.900 . 6.000 2.565 2.024 3.196 . 0 0 "[ . 1 . 2 . ]" 1
100 1 10 ALA MB 1 83 VAL QG 4.310 . 6.820 1.861 1.589 2.149 0.211 29 0 "[ . 1 . 2 . ]" 1
101 1 11 ARG H 1 11 ARG QD 3.900 . 6.000 4.141 3.278 4.822 . 0 0 "[ . 1 . 2 . ]" 1
102 1 11 ARG H 1 12 ALA H 3.400 . 5.000 2.611 2.312 2.925 . 0 0 "[ . 1 . 2 . ]" 1
103 1 11 ARG H 1 14 LEU QB 3.900 . 6.000 4.613 3.959 5.034 . 0 0 "[ . 1 . 2 . ]" 1
104 1 11 ARG HA 1 11 ARG QD 3.900 . 6.000 3.579 2.762 4.205 . 0 0 "[ . 1 . 2 . ]" 1
105 1 11 ARG HA 1 12 ALA H 3.400 . 5.000 3.506 3.346 3.581 . 0 0 "[ . 1 . 2 . ]" 1
106 1 11 ARG HA 1 14 LEU H 3.400 . 5.000 3.156 2.722 3.735 . 0 0 "[ . 1 . 2 . ]" 1
107 1 11 ARG HA 1 14 LEU QB 3.900 . 6.000 2.210 1.837 2.788 . 0 0 "[ . 1 . 2 . ]" 1
108 1 11 ARG HA 1 14 LEU QD 4.600 . 7.400 3.128 2.212 3.964 . 0 0 "[ . 1 . 2 . ]" 1
109 1 11 ARG HA 1 14 LEU HG 3.400 . 5.000 3.794 2.760 5.026 0.026 17 0 "[ . 1 . 2 . ]" 1
110 1 11 ARG HA 1 19 ILE MD 3.900 . 6.000 3.470 2.757 4.019 . 0 0 "[ . 1 . 2 . ]" 1
111 1 11 ARG HA 1 79 LEU QD 4.600 . 7.400 3.904 2.958 4.804 . 0 0 "[ . 1 . 2 . ]" 1
112 1 11 ARG QB 1 12 ALA H 3.900 . 6.000 2.860 2.380 3.713 . 0 0 "[ . 1 . 2 . ]" 1
113 1 11 ARG QB 1 14 LEU QB 4.400 . 7.000 4.116 3.418 4.820 . 0 0 "[ . 1 . 2 . ]" 1
114 1 11 ARG QB 1 19 ILE MD 4.400 . 7.000 3.957 2.504 4.698 . 0 0 "[ . 1 . 2 . ]" 1
115 1 11 ARG QB 1 79 LEU QD 5.100 . 8.400 4.477 2.683 5.477 . 0 0 "[ . 1 . 2 . ]" 1
116 1 11 ARG QD 1 14 LEU QB 4.400 . 7.000 4.670 3.743 5.443 . 0 0 "[ . 1 . 2 . ]" 1
117 1 11 ARG QD 1 19 ILE MD 4.400 . 7.000 3.287 1.828 4.717 . 0 0 "[ . 1 . 2 . ]" 1
118 1 11 ARG QD 1 79 LEU QD 5.100 . 8.400 4.069 2.608 5.453 . 0 0 "[ . 1 . 2 . ]" 1
119 1 12 ALA H 1 14 LEU H 3.400 . 5.000 3.950 3.263 4.342 . 0 0 "[ . 1 . 2 . ]" 1
120 1 12 ALA HA 1 13 PHE H 3.400 . 5.000 3.575 3.521 3.593 . 0 0 "[ . 1 . 2 . ]" 1
121 1 12 ALA HA 1 14 LEU H 3.400 . 5.000 4.455 3.916 4.866 . 0 0 "[ . 1 . 2 . ]" 1
122 1 12 ALA MB 1 13 PHE H 3.900 . 6.000 2.316 1.855 2.734 . 0 0 "[ . 1 . 2 . ]" 1
123 1 13 PHE H 1 14 LEU H 3.400 . 5.000 2.528 2.283 2.836 . 0 0 "[ . 1 . 2 . ]" 1
124 1 13 PHE H 1 83 VAL QG 3.800 . 5.800 4.008 3.612 4.328 . 0 0 "[ . 1 . 2 . ]" 1
125 1 13 PHE HA 1 13 PHE HD1 3.400 . 5.000 2.347 1.861 2.949 . 0 0 "[ . 1 . 2 . ]" 1
126 1 13 PHE HA 1 14 LEU H 3.400 . 5.000 3.513 3.428 3.584 . 0 0 "[ . 1 . 2 . ]" 1
127 1 13 PHE QB 1 14 LEU H 3.900 . 6.000 2.789 2.294 3.159 . 0 0 "[ . 1 . 2 . ]" 1
128 1 13 PHE QB 1 86 MET ME 4.400 . 7.000 3.873 2.290 4.894 . 0 0 "[ . 1 . 2 . ]" 1
129 1 13 PHE HD2 1 83 VAL HA 3.400 . 5.000 4.596 3.511 4.995 . 0 0 "[ . 1 . 2 . ]" 1
130 1 13 PHE HD2 1 83 VAL QG 4.600 . 7.400 2.883 1.821 3.750 . 0 0 "[ . 1 . 2 . ]" 1
131 1 13 PHE HE2 1 14 LEU QD 4.600 . 7.400 4.161 2.970 5.476 . 0 0 "[ . 1 . 2 . ]" 1
132 1 14 LEU H 1 14 LEU QB 3.360 . 4.920 2.438 2.110 2.716 . 0 0 "[ . 1 . 2 . ]" 1
133 1 14 LEU H 1 14 LEU QD 3.800 . 5.800 2.742 1.938 3.241 . 0 0 "[ . 1 . 2 . ]" 1
134 1 14 LEU H 1 14 LEU HG 3.400 . 5.000 2.723 1.869 4.095 . 0 0 "[ . 1 . 2 . ]" 1
135 1 14 LEU H 1 19 ILE MD 3.900 . 6.000 4.713 4.293 4.871 . 0 0 "[ . 1 . 2 . ]" 1
136 1 14 LEU H 1 83 VAL QG 3.800 . 5.800 3.855 3.410 4.194 . 0 0 "[ . 1 . 2 . ]" 1
137 1 14 LEU HA 1 14 LEU QD 3.800 . 5.800 2.051 1.764 2.679 0.036 26 0 "[ . 1 . 2 . ]" 1
138 1 14 LEU QB 1 19 ILE H 3.900 . 6.000 3.640 3.138 4.499 . 0 0 "[ . 1 . 2 . ]" 1
139 1 14 LEU QB 1 19 ILE MD 4.400 . 7.000 2.545 1.898 3.126 . 0 0 "[ . 1 . 2 . ]" 1
140 1 14 LEU QB 1 83 VAL QG 5.100 . 8.400 3.780 2.781 4.259 . 0 0 "[ . 1 . 2 . ]" 1
141 1 14 LEU QD 1 15 SER H 4.600 . 7.400 3.910 3.423 4.497 . 0 0 "[ . 1 . 2 . ]" 1
142 1 14 LEU QD 1 79 LEU QD 5.030 . 8.260 2.224 1.630 3.753 0.170 11 0 "[ . 1 . 2 . ]" 1
143 1 14 LEU QD 1 83 VAL QG 6.710 . 11.620 1.863 1.619 2.364 0.181 17 0 "[ . 1 . 2 . ]" 1
144 1 14 LEU QD 1 86 MET ME 4.310 . 6.820 3.162 1.874 4.069 . 0 0 "[ . 1 . 2 . ]" 1
145 1 15 SER H 1 19 ILE MD 3.900 . 6.000 4.444 3.972 4.760 . 0 0 "[ . 1 . 2 . ]" 1
146 1 15 SER HA 1 16 GLU H 3.400 . 5.000 2.471 2.318 2.727 . 0 0 "[ . 1 . 2 . ]" 1
147 1 15 SER HA 1 16 GLU QB 3.900 . 6.000 4.330 4.219 4.480 . 0 0 "[ . 1 . 2 . ]" 1
148 1 15 SER QB 1 16 GLU H 3.360 . 4.920 2.658 2.179 3.419 . 0 0 "[ . 1 . 2 . ]" 1
149 1 15 SER QB 1 16 GLU QB 4.360 . 6.920 4.076 3.639 4.674 . 0 0 "[ . 1 . 2 . ]" 1
150 1 16 GLU H 1 16 GLU QB 3.360 . 4.920 2.154 2.067 2.265 . 0 0 "[ . 1 . 2 . ]" 1
151 1 16 GLU H 1 16 GLU QG 3.360 . 4.920 3.691 2.821 4.043 . 0 0 "[ . 1 . 2 . ]" 1
152 1 16 GLU H 1 17 GLU H 3.400 . 5.000 2.705 2.502 3.035 . 0 0 "[ . 1 . 2 . ]" 1
153 1 16 GLU H 1 18 MET H 3.400 . 5.000 4.338 3.922 4.844 . 0 0 "[ . 1 . 2 . ]" 1
154 1 16 GLU HA 1 16 GLU QG 3.360 . 4.920 2.152 1.915 2.464 . 0 0 "[ . 1 . 2 . ]" 1
155 1 16 GLU HA 1 17 GLU H 3.400 . 5.000 3.465 3.257 3.587 . 0 0 "[ . 1 . 2 . ]" 1
156 1 16 GLU HA 1 19 ILE H 3.400 . 5.000 3.673 3.298 4.082 . 0 0 "[ . 1 . 2 . ]" 1
157 1 16 GLU HA 1 19 ILE HB 3.400 . 5.000 3.339 2.900 3.694 . 0 0 "[ . 1 . 2 . ]" 1
158 1 16 GLU HA 1 19 ILE MD 3.900 . 6.000 2.096 1.713 2.455 0.087 10 0 "[ . 1 . 2 . ]" 1
159 1 16 GLU HA 1 19 ILE MG 3.900 . 6.000 4.688 4.166 4.994 . 0 0 "[ . 1 . 2 . ]" 1
160 1 16 GLU HA 1 20 ALA H 3.400 . 5.000 4.060 3.585 4.542 . 0 0 "[ . 1 . 2 . ]" 1
161 1 16 GLU QG 1 17 GLU H 3.900 . 6.000 4.342 3.719 4.621 . 0 0 "[ . 1 . 2 . ]" 1
162 1 16 GLU QG 1 19 ILE MD 4.400 . 7.000 3.266 2.855 3.617 . 0 0 "[ . 1 . 2 . ]" 1
163 1 16 GLU QG 1 19 ILE MG 4.400 . 7.000 4.757 4.065 5.161 . 0 0 "[ . 1 . 2 . ]" 1
164 1 17 GLU H 1 17 GLU QB 3.360 . 4.920 2.330 2.112 2.669 . 0 0 "[ . 1 . 2 . ]" 1
165 1 17 GLU H 1 17 GLU QG 3.900 . 6.000 3.152 1.882 4.092 . 0 0 "[ . 1 . 2 . ]" 1
166 1 17 GLU H 1 18 MET H 3.400 . 5.000 2.534 2.272 2.973 . 0 0 "[ . 1 . 2 . ]" 1
167 1 17 GLU HA 1 17 GLU QG 3.360 . 4.920 2.429 2.007 3.303 . 0 0 "[ . 1 . 2 . ]" 1
168 1 17 GLU HA 1 18 MET H 3.400 . 5.000 3.526 3.440 3.579 . 0 0 "[ . 1 . 2 . ]" 1
169 1 17 GLU HA 1 20 ALA H 3.400 . 5.000 3.641 3.037 4.203 . 0 0 "[ . 1 . 2 . ]" 1
170 1 17 GLU HA 1 20 ALA MB 3.900 . 6.000 2.531 1.923 3.323 . 0 0 "[ . 1 . 2 . ]" 1
171 1 17 GLU QB 1 18 MET H 3.900 . 6.000 2.800 2.350 3.609 . 0 0 "[ . 1 . 2 . ]" 1
172 1 17 GLU QB 1 20 ALA MB 4.400 . 7.000 4.178 3.659 4.986 . 0 0 "[ . 1 . 2 . ]" 1
173 1 17 GLU QG 1 18 MET H 3.360 . 4.920 3.923 1.860 4.455 . 0 0 "[ . 1 . 2 . ]" 1
174 1 17 GLU QG 1 20 ALA MB 4.400 . 7.000 3.948 2.884 5.071 . 0 0 "[ . 1 . 2 . ]" 1
175 1 18 MET H 1 19 ILE H 3.400 . 5.000 2.753 2.448 3.107 . 0 0 "[ . 1 . 2 . ]" 1
176 1 18 MET H 1 20 ALA H 3.400 . 5.000 4.026 3.477 4.941 . 0 0 "[ . 1 . 2 . ]" 1
177 1 18 MET ME 1 86 MET ME 4.400 . 7.000 4.142 2.399 4.864 . 0 0 "[ . 1 . 2 . ]" 1
178 1 19 ILE H 1 19 ILE HB 3.400 . 5.000 2.668 2.490 2.850 . 0 0 "[ . 1 . 2 . ]" 1
179 1 19 ILE H 1 19 ILE MD 3.900 . 6.000 2.351 1.816 3.082 . 0 0 "[ . 1 . 2 . ]" 1
180 1 19 ILE H 1 19 ILE QG 3.360 . 4.920 2.149 1.853 2.846 . 0 0 "[ . 1 . 2 . ]" 1
181 1 19 ILE H 1 19 ILE MG 3.900 . 6.000 3.763 3.729 3.806 . 0 0 "[ . 1 . 2 . ]" 1
182 1 19 ILE H 1 20 ALA H 3.400 . 5.000 2.690 2.381 2.921 . 0 0 "[ . 1 . 2 . ]" 1
183 1 19 ILE H 1 20 ALA MB 3.900 . 6.000 4.271 4.063 4.486 . 0 0 "[ . 1 . 2 . ]" 1
184 1 19 ILE HA 1 19 ILE MD 3.900 . 6.000 3.759 3.362 3.924 . 0 0 "[ . 1 . 2 . ]" 1
185 1 19 ILE HA 1 20 ALA H 3.400 . 5.000 3.527 3.383 3.580 . 0 0 "[ . 1 . 2 . ]" 1
186 1 19 ILE HA 1 20 ALA MB 3.900 . 6.000 4.998 4.919 5.034 . 0 0 "[ . 1 . 2 . ]" 1
187 1 19 ILE HA 1 22 PHE QD 3.400 . 5.000 3.711 2.795 4.778 . 0 0 "[ . 1 . 2 . ]" 1
188 1 19 ILE HA 1 79 LEU QD 4.600 . 7.400 3.266 2.316 4.592 . 0 0 "[ . 1 . 2 . ]" 1
189 1 19 ILE HB 1 20 ALA H 3.400 . 5.000 2.626 1.955 3.297 . 0 0 "[ . 1 . 2 . ]" 1
190 1 19 ILE HB 1 20 ALA HA 3.400 . 5.000 4.153 4.039 4.334 . 0 0 "[ . 1 . 2 . ]" 1
191 1 19 ILE HB 1 20 ALA MB 3.900 . 6.000 4.037 3.656 4.364 . 0 0 "[ . 1 . 2 . ]" 1
192 1 19 ILE MD 1 20 ALA H 3.900 . 6.000 3.628 3.410 3.762 . 0 0 "[ . 1 . 2 . ]" 1
193 1 19 ILE MD 1 20 ALA MB 4.400 . 7.000 4.588 4.485 4.681 . 0 0 "[ . 1 . 2 . ]" 1
194 1 19 ILE MD 1 75 PHE HE2 3.900 . 6.000 4.925 4.635 5.067 . 0 0 "[ . 1 . 2 . ]" 1
195 1 19 ILE MD 1 79 LEU QD 5.100 . 8.400 3.373 2.652 4.272 . 0 0 "[ . 1 . 2 . ]" 1
196 1 19 ILE QG 1 20 ALA H 3.900 . 6.000 4.066 3.766 4.423 . 0 0 "[ . 1 . 2 . ]" 1
197 1 19 ILE MG 1 20 ALA H 3.900 . 6.000 3.666 2.795 4.041 . 0 0 "[ . 1 . 2 . ]" 1
198 1 19 ILE MG 1 20 ALA HA 3.900 . 6.000 3.867 3.296 4.197 . 0 0 "[ . 1 . 2 . ]" 1
199 1 19 ILE MG 1 20 ALA MB 4.400 . 7.000 4.474 3.800 4.804 . 0 0 "[ . 1 . 2 . ]" 1
200 1 19 ILE MG 1 22 PHE QB 4.400 . 7.000 3.348 2.664 4.177 . 0 0 "[ . 1 . 2 . ]" 1
201 1 19 ILE MG 1 23 LYS H 3.900 . 6.000 3.979 3.418 4.620 . 0 0 "[ . 1 . 2 . ]" 1
202 1 19 ILE MG 1 75 PHE HE1 3.900 . 6.000 4.793 4.291 5.067 . 0 0 "[ . 1 . 2 . ]" 1
203 1 19 ILE MG 1 79 LEU QD 4.310 . 6.820 2.275 1.787 3.337 0.013 10 0 "[ . 1 . 2 . ]" 1
204 1 20 ALA H 1 21 GLU H 3.400 . 5.000 2.772 2.492 3.283 . 0 0 "[ . 1 . 2 . ]" 1
205 1 20 ALA H 1 22 PHE H 3.400 . 5.000 4.080 3.454 4.788 . 0 0 "[ . 1 . 2 . ]" 1
206 1 20 ALA HA 1 23 LYS H 3.400 . 5.000 3.735 2.935 4.517 . 0 0 "[ . 1 . 2 . ]" 1
207 1 20 ALA HA 1 23 LYS QG 3.900 . 6.000 3.836 2.355 5.343 . 0 0 "[ . 1 . 2 . ]" 1
208 1 20 ALA MB 1 21 GLU H 3.900 . 6.000 2.655 1.881 3.099 . 0 0 "[ . 1 . 2 . ]" 1
209 1 20 ALA MB 1 23 LYS H 3.900 . 6.000 4.709 4.158 5.051 . 0 0 "[ . 1 . 2 . ]" 1
210 1 20 ALA MB 1 23 LYS QE 4.400 . 7.000 4.331 3.398 5.168 . 0 0 "[ . 1 . 2 . ]" 1
211 1 21 GLU H 1 21 GLU QB 3.360 . 4.920 2.231 2.106 2.509 . 0 0 "[ . 1 . 2 . ]" 1
212 1 21 GLU H 1 22 PHE H 3.400 . 5.000 2.466 2.277 2.865 . 0 0 "[ . 1 . 2 . ]" 1
213 1 22 PHE H 1 23 LYS H 3.400 . 5.000 2.501 2.299 2.796 . 0 0 "[ . 1 . 2 . ]" 1
214 1 22 PHE H 1 24 ALA H 3.400 . 5.000 4.325 3.796 4.839 . 0 0 "[ . 1 . 2 . ]" 1
215 1 22 PHE HA 1 23 LYS H 3.400 . 5.000 3.452 3.237 3.577 . 0 0 "[ . 1 . 2 . ]" 1
216 1 22 PHE HA 1 25 ALA MB 3.900 . 6.000 3.106 1.913 4.869 . 0 0 "[ . 1 . 2 . ]" 1
217 1 22 PHE QB 1 23 LYS H 3.900 . 6.000 3.008 2.497 3.482 . 0 0 "[ . 1 . 2 . ]" 1
218 1 22 PHE QB 1 79 LEU QD 5.100 . 8.400 3.276 1.799 5.088 0.001 13 0 "[ . 1 . 2 . ]" 1
219 1 22 PHE QD 1 25 ALA MB 3.900 . 6.000 3.293 2.082 4.665 . 0 0 "[ . 1 . 2 . ]" 1
220 1 22 PHE QD 1 79 LEU QD 4.600 . 7.400 3.207 1.876 4.765 . 0 0 "[ . 1 . 2 . ]" 1
221 1 23 LYS H 1 23 LYS QG 3.900 . 6.000 3.179 1.813 4.081 . 0 0 "[ . 1 . 2 . ]" 1
222 1 23 LYS H 1 24 ALA H 3.400 . 5.000 2.726 2.526 2.981 . 0 0 "[ . 1 . 2 . ]" 1
223 1 23 LYS H 1 24 ALA MB 3.900 . 6.000 4.366 3.965 4.675 . 0 0 "[ . 1 . 2 . ]" 1
224 1 23 LYS H 1 75 PHE HE2 3.400 . 5.000 4.915 4.525 5.021 0.021 25 0 "[ . 1 . 2 . ]" 1
225 1 23 LYS HA 1 23 LYS QD 3.360 . 4.920 3.723 2.279 4.314 . 0 0 "[ . 1 . 2 . ]" 1
226 1 23 LYS HA 1 24 ALA H 3.400 . 5.000 3.474 3.198 3.586 . 0 0 "[ . 1 . 2 . ]" 1
227 1 23 LYS QB 1 24 ALA H 3.900 . 6.000 3.076 2.367 3.848 . 0 0 "[ . 1 . 2 . ]" 1
228 1 24 ALA HA 1 27 ASP QB 3.900 . 6.000 3.430 2.105 5.231 . 0 0 "[ . 1 . 2 . ]" 1
229 1 26 PHE HA 1 26 PHE QE 3.400 . 5.000 4.415 4.029 4.720 . 0 0 "[ . 1 . 2 . ]" 1
230 1 26 PHE HA 1 27 ASP HA 3.400 . 5.000 4.775 4.646 4.966 . 0 0 "[ . 1 . 2 . ]" 1
231 1 26 PHE HA 1 29 PHE H 3.400 . 5.000 4.077 3.035 5.017 0.017 7 0 "[ . 1 . 2 . ]" 1
232 1 26 PHE HA 1 78 PHE HE2 3.400 . 5.000 4.961 4.782 5.057 0.057 17 0 "[ . 1 . 2 . ]" 1
233 1 26 PHE QE 1 74 ASP HA 3.400 . 5.000 3.678 2.242 4.981 . 0 0 "[ . 1 . 2 . ]" 1
234 1 27 ASP H 1 28 MET H 3.400 . 5.000 2.670 2.309 3.039 . 0 0 "[ . 1 . 2 . ]" 1
235 1 27 ASP HA 1 28 MET H 3.400 . 5.000 3.425 3.025 3.585 . 0 0 "[ . 1 . 2 . ]" 1
236 1 27 ASP HA 1 29 PHE QB 3.900 . 6.000 4.930 4.465 5.380 . 0 0 "[ . 1 . 2 . ]" 1
237 1 27 ASP HA 1 30 ASP H 3.400 . 5.000 3.781 2.713 4.862 . 0 0 "[ . 1 . 2 . ]" 1
238 1 27 ASP HA 1 30 ASP QB 3.360 . 4.920 3.620 2.205 4.433 . 0 0 "[ . 1 . 2 . ]" 1
239 1 28 MET H 1 29 PHE H 3.400 . 5.000 2.841 2.516 3.202 . 0 0 "[ . 1 . 2 . ]" 1
240 1 28 MET HA 1 28 MET QG 3.360 . 4.920 2.216 1.908 2.886 . 0 0 "[ . 1 . 2 . ]" 1
241 1 28 MET HA 1 29 PHE H 3.400 . 5.000 3.549 3.427 3.590 . 0 0 "[ . 1 . 2 . ]" 1
242 1 29 PHE H 1 29 PHE QB 3.360 . 4.920 2.346 2.074 2.730 . 0 0 "[ . 1 . 2 . ]" 1
243 1 29 PHE H 1 30 ASP H 3.400 . 5.000 2.914 2.386 3.402 . 0 0 "[ . 1 . 2 . ]" 1
244 1 29 PHE HA 1 30 ASP H 3.400 . 5.000 3.526 2.778 3.589 . 0 0 "[ . 1 . 2 . ]" 1
245 1 29 PHE QB 1 30 ASP H 3.900 . 6.000 2.270 1.853 3.884 . 0 0 "[ . 1 . 2 . ]" 1
246 1 29 PHE HD1 1 45 VAL QG 4.600 . 7.400 4.078 1.828 6.762 . 0 0 "[ . 1 . 2 . ]" 1
247 1 30 ASP H 1 30 ASP QB 3.360 . 4.920 2.385 2.069 3.088 . 0 0 "[ . 1 . 2 . ]" 1
248 1 30 ASP H 1 31 ALA H 3.400 . 5.000 4.372 3.754 4.696 . 0 0 "[ . 1 . 2 . ]" 1
249 1 30 ASP H 1 36 ASP H 3.400 . 5.000 4.845 4.237 5.050 0.050 13 0 "[ . 1 . 2 . ]" 1
250 1 30 ASP HA 1 31 ALA H 3.400 . 5.000 2.384 2.191 2.970 . 0 0 "[ . 1 . 2 . ]" 1
251 1 30 ASP HA 1 31 ALA HA 3.400 . 5.000 4.506 4.382 4.818 . 0 0 "[ . 1 . 2 . ]" 1
252 1 30 ASP HA 1 31 ALA MB 3.900 . 6.000 4.036 3.643 4.324 . 0 0 "[ . 1 . 2 . ]" 1
253 1 30 ASP HA 1 34 GLY H 3.400 . 5.000 4.652 3.080 5.022 0.022 28 0 "[ . 1 . 2 . ]" 1
254 1 30 ASP QB 1 31 ALA H 3.360 . 4.920 3.295 1.972 4.029 . 0 0 "[ . 1 . 2 . ]" 1
255 1 30 ASP QB 1 37 ILE MG 4.400 . 7.000 4.419 3.182 5.148 . 0 0 "[ . 1 . 2 . ]" 1
256 1 31 ALA H 1 32 ASP H 3.400 . 5.000 2.345 1.894 3.219 . 0 0 "[ . 1 . 2 . ]" 1
257 1 31 ALA H 1 33 GLY H 3.400 . 5.000 3.280 2.308 4.512 . 0 0 "[ . 1 . 2 . ]" 1
258 1 31 ALA HA 1 32 ASP H 3.400 . 5.000 3.493 3.079 3.588 . 0 0 "[ . 1 . 2 . ]" 1
259 1 31 ALA HA 1 33 GLY H 3.400 . 5.000 4.267 3.412 4.959 . 0 0 "[ . 1 . 2 . ]" 1
260 1 31 ALA MB 1 32 ASP H 3.900 . 6.000 2.536 1.814 3.549 . 0 0 "[ . 1 . 2 . ]" 1
261 1 32 ASP H 1 32 ASP QB 3.360 . 4.920 2.570 2.093 3.210 . 0 0 "[ . 1 . 2 . ]" 1
262 1 32 ASP H 1 33 GLY H 3.400 . 5.000 2.484 1.870 3.124 . 0 0 "[ . 1 . 2 . ]" 1
263 1 32 ASP HA 1 33 GLY H 3.400 . 5.000 3.262 2.722 3.589 . 0 0 "[ . 1 . 2 . ]" 1
264 1 32 ASP QB 1 33 GLY H 3.360 . 4.920 3.407 2.275 4.051 . 0 0 "[ . 1 . 2 . ]" 1
265 1 33 GLY H 1 34 GLY H 3.400 . 5.000 2.634 1.873 3.945 . 0 0 "[ . 1 . 2 . ]" 1
266 1 33 GLY H 1 35 GLY H 3.400 . 5.000 4.408 3.849 5.011 0.011 23 0 "[ . 1 . 2 . ]" 1
267 1 33 GLY QA 1 34 GLY H 3.900 . 6.000 2.563 2.159 2.845 . 0 0 "[ . 1 . 2 . ]" 1
268 1 34 GLY H 1 35 GLY H 3.400 . 5.000 2.283 1.853 3.163 . 0 0 "[ . 1 . 2 . ]" 1
269 1 34 GLY H 1 35 GLY QA 3.900 . 6.000 4.016 3.612 4.785 . 0 0 "[ . 1 . 2 . ]" 1
270 1 34 GLY H 1 36 ASP H 3.400 . 5.000 4.238 3.324 4.971 . 0 0 "[ . 1 . 2 . ]" 1
271 1 34 GLY QA 1 35 GLY H 3.900 . 6.000 2.727 2.359 2.936 . 0 0 "[ . 1 . 2 . ]" 1
272 1 35 GLY H 1 36 ASP H 3.400 . 5.000 2.580 1.855 3.233 . 0 0 "[ . 1 . 2 . ]" 1
273 1 35 GLY QA 1 36 ASP H 3.360 . 4.920 2.594 2.253 2.915 . 0 0 "[ . 1 . 2 . ]" 1
274 1 35 GLY QA 1 36 ASP QB 4.400 . 7.000 4.150 3.900 4.621 . 0 0 "[ . 1 . 2 . ]" 1
275 1 36 ASP H 1 36 ASP QB 3.360 . 4.920 3.193 2.446 3.455 . 0 0 "[ . 1 . 2 . ]" 1
276 1 36 ASP H 1 37 ILE H 3.400 . 5.000 4.202 3.146 4.656 . 0 0 "[ . 1 . 2 . ]" 1
277 1 36 ASP H 1 74 ASP HA 3.400 . 5.000 4.917 4.504 5.040 0.040 6 0 "[ . 1 . 2 . ]" 1
278 1 36 ASP HA 1 37 ILE H 3.400 . 5.000 2.382 2.190 2.728 . 0 0 "[ . 1 . 2 . ]" 1
279 1 36 ASP HA 1 74 ASP HA 3.400 . 5.000 2.523 2.200 2.950 . 0 0 "[ . 1 . 2 . ]" 1
280 1 36 ASP HA 1 75 PHE H 3.400 . 5.000 4.752 4.001 5.008 0.008 6 0 "[ . 1 . 2 . ]" 1
281 1 36 ASP QB 1 37 ILE H 3.360 . 4.920 2.832 1.888 3.860 . 0 0 "[ . 1 . 2 . ]" 1
282 1 36 ASP QB 1 72 THR HB 3.900 . 6.000 3.857 2.732 4.865 . 0 0 "[ . 1 . 2 . ]" 1
283 1 36 ASP QB 1 72 THR MG 3.870 . 5.940 3.933 3.522 4.312 . 0 0 "[ . 1 . 2 . ]" 1
284 1 37 ILE H 1 37 ILE HB 3.400 . 5.000 3.215 2.573 3.916 . 0 0 "[ . 1 . 2 . ]" 1
285 1 37 ILE H 1 37 ILE MD 3.900 . 6.000 3.053 1.847 4.168 . 0 0 "[ . 1 . 2 . ]" 1
286 1 37 ILE H 1 37 ILE QG 3.900 . 6.000 2.291 1.858 3.355 . 0 0 "[ . 1 . 2 . ]" 1
287 1 37 ILE H 1 37 ILE MG 3.900 . 6.000 3.680 2.554 4.029 . 0 0 "[ . 1 . 2 . ]" 1
288 1 37 ILE H 1 38 SER H 3.400 . 5.000 4.289 1.901 4.683 . 0 0 "[ . 1 . 2 . ]" 1
289 1 37 ILE H 1 73 ILE H 3.400 . 5.000 2.919 2.095 4.054 . 0 0 "[ . 1 . 2 . ]" 1
290 1 37 ILE H 1 73 ILE HB 3.400 . 5.000 4.548 3.601 5.057 0.057 5 0 "[ . 1 . 2 . ]" 1
291 1 37 ILE H 1 74 ASP HA 3.400 . 5.000 3.988 3.060 4.733 . 0 0 "[ . 1 . 2 . ]" 1
292 1 37 ILE HA 1 37 ILE MD 3.900 . 6.000 3.715 2.207 4.136 . 0 0 "[ . 1 . 2 . ]" 1
293 1 37 ILE HA 1 38 SER H 3.400 . 5.000 2.343 2.240 3.397 . 0 0 "[ . 1 . 2 . ]" 1
294 1 37 ILE HB 1 73 ILE MD 3.900 . 6.000 4.094 2.185 5.012 . 0 0 "[ . 1 . 2 . ]" 1
295 1 37 ILE MD 1 73 ILE MG 4.400 . 7.000 4.382 2.198 4.824 . 0 0 "[ . 1 . 2 . ]" 1
296 1 37 ILE QG 1 38 SER H 3.900 . 6.000 4.331 3.779 4.738 . 0 0 "[ . 1 . 2 . ]" 1
297 1 37 ILE MG 1 38 SER H 3.900 . 6.000 2.941 1.912 4.132 . 0 0 "[ . 1 . 2 . ]" 1
298 1 37 ILE MG 1 42 LEU QB 4.400 . 7.000 3.209 1.759 5.084 0.041 5 0 "[ . 1 . 2 . ]" 1
299 1 37 ILE MG 1 45 VAL HB 3.900 . 6.000 4.746 4.199 5.038 . 0 0 "[ . 1 . 2 . ]" 1
300 1 38 SER H 1 38 SER QB 3.360 . 4.920 2.741 2.228 3.096 . 0 0 "[ . 1 . 2 . ]" 1
301 1 38 SER H 1 39 THR H 3.400 . 5.000 4.492 4.218 4.580 . 0 0 "[ . 1 . 2 . ]" 1
302 1 38 SER H 1 41 GLU H 3.400 . 5.000 3.624 2.628 5.039 0.039 1 0 "[ . 1 . 2 . ]" 1
303 1 38 SER HA 1 39 THR H 3.400 . 5.000 2.604 2.193 2.960 . 0 0 "[ . 1 . 2 . ]" 1
304 1 38 SER HA 1 39 THR MG 3.900 . 6.000 3.753 3.459 4.365 . 0 0 "[ . 1 . 2 . ]" 1
305 1 38 SER QB 1 39 THR H 3.360 . 4.920 2.339 1.875 3.059 . 0 0 "[ . 1 . 2 . ]" 1
306 1 38 SER QB 1 39 THR MG 3.870 . 5.940 3.784 2.970 4.421 . 0 0 "[ . 1 . 2 . ]" 1
307 1 38 SER QB 1 72 THR MG 3.870 . 5.940 3.468 1.801 4.424 . 0 0 "[ . 1 . 2 . ]" 1
308 1 39 THR H 1 39 THR HB 3.400 . 5.000 3.547 2.571 3.658 . 0 0 "[ . 1 . 2 . ]" 1
309 1 39 THR H 1 39 THR MG 3.900 . 6.000 2.129 1.811 2.987 . 0 0 "[ . 1 . 2 . ]" 1
310 1 39 THR H 1 40 LYS H 3.400 . 5.000 2.648 2.367 3.090 . 0 0 "[ . 1 . 2 . ]" 1
311 1 39 THR H 1 62 ILE MD 3.900 . 6.000 3.830 2.064 4.719 . 0 0 "[ . 1 . 2 . ]" 1
312 1 39 THR HA 1 40 LYS H 3.400 . 5.000 3.484 3.357 3.589 . 0 0 "[ . 1 . 2 . ]" 1
313 1 39 THR HA 1 42 LEU H 3.400 . 5.000 3.565 3.009 4.255 . 0 0 "[ . 1 . 2 . ]" 1
314 1 39 THR HA 1 42 LEU QB 3.900 . 6.000 2.536 1.746 4.769 0.054 26 0 "[ . 1 . 2 . ]" 1
315 1 39 THR HA 1 62 ILE MD 3.900 . 6.000 3.591 2.137 4.441 . 0 0 "[ . 1 . 2 . ]" 1
316 1 39 THR HB 1 42 LEU QD 3.800 . 5.800 3.841 3.431 4.397 . 0 0 "[ . 1 . 2 . ]" 1
317 1 39 THR HB 1 58 LEU QD 4.600 . 7.400 3.763 2.863 5.408 . 0 0 "[ . 1 . 2 . ]" 1
318 1 39 THR HB 1 59 ASP HA 3.400 . 5.000 4.114 2.201 4.965 . 0 0 "[ . 1 . 2 . ]" 1
319 1 39 THR HB 1 62 ILE MD 3.900 . 6.000 4.578 3.361 5.007 . 0 0 "[ . 1 . 2 . ]" 1
320 1 39 THR MG 1 40 LYS H 3.900 . 6.000 3.742 2.066 4.291 . 0 0 "[ . 1 . 2 . ]" 1
321 1 39 THR MG 1 55 LYS QE 4.400 . 7.000 4.445 3.557 5.102 . 0 0 "[ . 1 . 2 . ]" 1
322 1 39 THR MG 1 58 LEU H 3.900 . 6.000 4.832 4.432 4.986 . 0 0 "[ . 1 . 2 . ]" 1
323 1 39 THR MG 1 58 LEU QB 4.400 . 7.000 2.982 2.287 3.993 . 0 0 "[ . 1 . 2 . ]" 1
324 1 39 THR MG 1 58 LEU QD 5.100 . 8.400 4.220 3.629 5.067 . 0 0 "[ . 1 . 2 . ]" 1
325 1 39 THR MG 1 59 ASP H 3.900 . 6.000 3.899 3.538 4.348 . 0 0 "[ . 1 . 2 . ]" 1
326 1 39 THR MG 1 59 ASP HA 3.900 . 6.000 2.597 1.932 3.239 . 0 0 "[ . 1 . 2 . ]" 1
327 1 39 THR MG 1 62 ILE MD 4.400 . 7.000 2.634 1.689 4.198 0.111 21 0 "[ . 1 . 2 . ]" 1
328 1 39 THR MG 1 62 ILE QG 3.870 . 5.940 2.250 1.688 4.262 0.112 16 0 "[ . 1 . 2 . ]" 1
329 1 39 THR MG 1 62 ILE MG 4.400 . 7.000 2.669 1.700 3.309 0.100 11 0 "[ . 1 . 2 . ]" 1
330 1 39 THR MG 1 66 ASP QB 4.400 . 7.000 4.949 4.247 5.253 . 0 0 "[ . 1 . 2 . ]" 1
331 1 39 THR MG 1 72 THR MG 4.400 . 7.000 4.537 3.883 4.744 . 0 0 "[ . 1 . 2 . ]" 1
332 1 40 LYS H 1 40 LYS QB 3.360 . 4.920 2.252 2.077 2.539 . 0 0 "[ . 1 . 2 . ]" 1
333 1 40 LYS H 1 40 LYS QD 3.900 . 6.000 4.416 3.499 4.955 . 0 0 "[ . 1 . 2 . ]" 1
334 1 40 LYS H 1 40 LYS QG 3.360 . 4.920 3.814 1.965 4.039 . 0 0 "[ . 1 . 2 . ]" 1
335 1 40 LYS HA 1 40 LYS QD 3.900 . 6.000 3.660 1.892 4.264 . 0 0 "[ . 1 . 2 . ]" 1
336 1 40 LYS HA 1 40 LYS QG 3.360 . 4.920 2.311 1.931 3.304 . 0 0 "[ . 1 . 2 . ]" 1
337 1 40 LYS HA 1 43 GLY H 3.400 . 5.000 4.087 3.254 4.995 . 0 0 "[ . 1 . 2 . ]" 1
338 1 40 LYS QB 1 41 GLU H 3.360 . 4.920 2.400 1.869 3.436 . 0 0 "[ . 1 . 2 . ]" 1
339 1 40 LYS QD 1 41 GLU H 3.900 . 6.000 4.011 2.517 5.400 . 0 0 "[ . 1 . 2 . ]" 1
340 1 40 LYS QE 1 41 GLU HA 3.900 . 6.000 4.535 3.123 5.257 . 0 0 "[ . 1 . 2 . ]" 1
341 1 40 LYS QG 1 41 GLU H 3.900 . 6.000 3.624 2.004 4.570 . 0 0 "[ . 1 . 2 . ]" 1
342 1 40 LYS QG 1 44 THR MG 4.400 . 7.000 4.172 2.907 5.116 . 0 0 "[ . 1 . 2 . ]" 1
343 1 41 GLU H 1 42 LEU H 3.400 . 5.000 2.538 2.315 2.913 . 0 0 "[ . 1 . 2 . ]" 1
344 1 41 GLU H 1 43 GLY H 3.400 . 5.000 4.138 3.291 5.004 0.004 11 0 "[ . 1 . 2 . ]" 1
345 1 41 GLU HA 1 42 LEU H 3.400 . 5.000 3.446 3.028 3.597 . 0 0 "[ . 1 . 2 . ]" 1
346 1 41 GLU HA 1 44 THR H 3.400 . 5.000 3.382 2.789 4.010 . 0 0 "[ . 1 . 2 . ]" 1
347 1 41 GLU HA 1 44 THR HB 3.400 . 5.000 3.891 1.863 5.029 0.029 6 0 "[ . 1 . 2 . ]" 1
348 1 41 GLU HA 1 44 THR MG 3.900 . 6.000 3.317 1.711 5.045 0.089 9 0 "[ . 1 . 2 . ]" 1
349 1 41 GLU QG 1 42 LEU H 3.900 . 6.000 4.273 3.502 4.618 . 0 0 "[ . 1 . 2 . ]" 1
350 1 42 LEU H 1 42 LEU QD 4.600 . 7.400 3.317 1.841 3.775 . 0 0 "[ . 1 . 2 . ]" 1
351 1 42 LEU H 1 43 GLY H 3.400 . 5.000 2.598 2.307 3.087 . 0 0 "[ . 1 . 2 . ]" 1
352 1 42 LEU H 1 44 THR H 3.400 . 5.000 4.051 3.399 4.875 . 0 0 "[ . 1 . 2 . ]" 1
353 1 42 LEU HA 1 45 VAL H 3.400 . 5.000 4.019 3.246 5.052 0.052 11 0 "[ . 1 . 2 . ]" 1
354 1 42 LEU QB 1 43 GLY H 3.900 . 6.000 3.001 2.221 3.784 . 0 0 "[ . 1 . 2 . ]" 1
355 1 42 LEU QD 1 43 GLY H 3.800 . 5.800 3.223 1.841 4.257 . 0 0 "[ . 1 . 2 . ]" 1
356 1 42 LEU QD 1 61 ILE HB 4.600 . 7.400 3.399 2.362 4.592 . 0 0 "[ . 1 . 2 . ]" 1
357 1 42 LEU HG 1 58 LEU QD 4.600 . 7.400 3.486 1.893 4.595 . 0 0 "[ . 1 . 2 . ]" 1
358 1 42 LEU HG 1 61 ILE MD 3.900 . 6.000 4.591 2.747 5.032 . 0 0 "[ . 1 . 2 . ]" 1
359 1 43 GLY H 1 44 THR H 3.400 . 5.000 2.326 1.899 3.004 . 0 0 "[ . 1 . 2 . ]" 1
360 1 43 GLY H 1 45 VAL H 3.400 . 5.000 3.901 3.234 4.845 . 0 0 "[ . 1 . 2 . ]" 1
361 1 43 GLY H 1 58 LEU QD 4.600 . 7.400 3.480 1.831 4.320 . 0 0 "[ . 1 . 2 . ]" 1
362 1 43 GLY QA 1 44 THR H 3.360 . 4.920 2.809 2.570 2.938 . 0 0 "[ . 1 . 2 . ]" 1
363 1 43 GLY QA 1 53 PRO QG 3.870 . 5.940 3.377 1.819 4.532 . 0 0 "[ . 1 . 2 . ]" 1
364 1 43 GLY QA 1 58 LEU QD 3.770 . 5.740 2.004 1.643 2.768 0.157 12 0 "[ . 1 . 2 . ]" 1
365 1 44 THR H 1 44 THR HB 3.400 . 5.000 3.113 2.311 3.667 . 0 0 "[ . 1 . 2 . ]" 1
366 1 44 THR H 1 44 THR MG 3.900 . 6.000 2.824 1.848 3.794 . 0 0 "[ . 1 . 2 . ]" 1
367 1 44 THR H 1 45 VAL H 3.400 . 5.000 2.540 2.296 2.929 . 0 0 "[ . 1 . 2 . ]" 1
368 1 44 THR H 1 58 LEU HG 3.400 . 5.000 4.717 3.082 5.094 0.094 22 0 "[ . 1 . 2 . ]" 1
369 1 44 THR HA 1 45 VAL H 3.400 . 5.000 3.475 3.294 3.592 . 0 0 "[ . 1 . 2 . ]" 1
370 1 44 THR HA 1 47 ARG HA 3.400 . 5.000 4.958 4.700 5.083 0.083 7 0 "[ . 1 . 2 . ]" 1
371 1 44 THR HA 1 47 ARG QB 3.900 . 6.000 2.485 1.893 3.237 . 0 0 "[ . 1 . 2 . ]" 1
372 1 44 THR HB 1 45 VAL H 3.400 . 5.000 3.559 1.983 4.333 . 0 0 "[ . 1 . 2 . ]" 1
373 1 44 THR MG 1 45 VAL H 3.900 . 6.000 3.585 1.784 4.434 0.016 26 0 "[ . 1 . 2 . ]" 1
374 1 44 THR MG 1 45 VAL QG 5.100 . 8.400 4.121 2.203 5.133 . 0 0 "[ . 1 . 2 . ]" 1
375 1 44 THR MG 1 47 ARG QB 4.400 . 7.000 3.899 2.970 5.012 . 0 0 "[ . 1 . 2 . ]" 1
376 1 45 VAL H 1 45 VAL HB 3.400 . 5.000 2.593 2.324 3.614 . 0 0 "[ . 1 . 2 . ]" 1
377 1 45 VAL H 1 46 MET H 3.400 . 5.000 2.638 2.006 2.961 . 0 0 "[ . 1 . 2 . ]" 1
378 1 45 VAL H 1 46 MET QB 3.900 . 6.000 4.657 3.757 5.386 . 0 0 "[ . 1 . 2 . ]" 1
379 1 45 VAL H 1 47 ARG H 3.400 . 5.000 3.739 3.309 4.310 . 0 0 "[ . 1 . 2 . ]" 1
380 1 45 VAL H 1 48 MET H 3.400 . 5.000 4.953 4.338 5.454 0.454 7 0 "[ . 1 . 2 . ]" 1
381 1 45 VAL HA 1 48 MET H 3.400 . 5.000 4.039 3.587 4.821 . 0 0 "[ . 1 . 2 . ]" 1
382 1 45 VAL HA 1 48 MET QB 3.900 . 6.000 3.774 2.806 5.060 . 0 0 "[ . 1 . 2 . ]" 1
383 1 45 VAL HA 1 48 MET ME 3.900 . 6.000 3.509 1.893 4.819 . 0 0 "[ . 1 . 2 . ]" 1
384 1 45 VAL HB 1 46 MET H 3.400 . 5.000 3.169 2.054 4.035 . 0 0 "[ . 1 . 2 . ]" 1
385 1 45 VAL QG 1 48 MET ME 5.100 . 8.400 3.705 2.058 5.127 . 0 0 "[ . 1 . 2 . ]" 1
386 1 45 VAL QG 1 49 LEU QD 5.800 . 9.800 4.215 2.427 5.284 . 0 0 "[ . 1 . 2 . ]" 1
387 1 46 MET H 1 46 MET QG 3.900 . 6.000 3.117 1.834 4.103 . 0 0 "[ . 1 . 2 . ]" 1
388 1 46 MET H 1 47 ARG H 3.400 . 5.000 2.374 2.215 2.628 . 0 0 "[ . 1 . 2 . ]" 1
389 1 46 MET HA 1 46 MET ME 3.900 . 6.000 3.840 2.093 4.838 . 0 0 "[ . 1 . 2 . ]" 1
390 1 46 MET HA 1 46 MET QG 3.360 . 4.920 2.546 1.933 3.354 . 0 0 "[ . 1 . 2 . ]" 1
391 1 46 MET HA 1 49 LEU QD 3.800 . 5.800 3.458 2.096 4.320 . 0 0 "[ . 1 . 2 . ]" 1
392 1 46 MET QB 1 49 LEU QD 5.100 . 8.400 4.538 3.229 5.297 . 0 0 "[ . 1 . 2 . ]" 1
393 1 46 MET ME 1 47 ARG H 3.900 . 6.000 4.548 3.356 4.872 . 0 0 "[ . 1 . 2 . ]" 1
394 1 46 MET ME 1 81 MET ME 4.400 . 7.000 4.554 4.261 4.827 . 0 0 "[ . 1 . 2 . ]" 1
395 1 46 MET QG 1 58 LEU QD 5.100 . 8.400 4.313 2.714 5.413 . 0 0 "[ . 1 . 2 . ]" 1
396 1 47 ARG H 1 47 ARG QD 3.900 . 6.000 4.131 2.920 4.671 . 0 0 "[ . 1 . 2 . ]" 1
397 1 47 ARG H 1 47 ARG QG 3.900 . 6.000 3.842 2.305 4.143 . 0 0 "[ . 1 . 2 . ]" 1
398 1 47 ARG H 1 48 MET H 3.400 . 5.000 2.652 2.355 2.890 . 0 0 "[ . 1 . 2 . ]" 1
399 1 47 ARG HA 1 47 ARG QD 3.900 . 6.000 3.355 1.865 4.505 . 0 0 "[ . 1 . 2 . ]" 1
400 1 47 ARG HA 1 47 ARG QG 3.360 . 4.920 2.394 2.028 3.428 . 0 0 "[ . 1 . 2 . ]" 1
401 1 47 ARG HA 1 50 GLY H 3.400 . 5.000 3.772 2.535 4.660 . 0 0 "[ . 1 . 2 . ]" 1
402 1 47 ARG QB 1 53 PRO QD 4.360 . 6.920 3.125 1.725 5.526 0.075 15 0 "[ . 1 . 2 . ]" 1
403 1 47 ARG QG 1 52 ASN HA 3.360 . 4.920 3.739 1.833 4.610 . 0 0 "[ . 1 . 2 . ]" 1
404 1 47 ARG QG 1 53 PRO QD 4.360 . 6.920 2.886 1.801 5.072 . 0 0 "[ . 1 . 2 . ]" 1
405 1 48 MET H 1 48 MET ME 3.900 . 6.000 4.250 2.496 5.036 . 0 0 "[ . 1 . 2 . ]" 1
406 1 48 MET H 1 48 MET QG 3.360 . 4.920 3.122 1.966 4.050 . 0 0 "[ . 1 . 2 . ]" 1
407 1 48 MET H 1 49 LEU H 3.400 . 5.000 2.962 2.295 3.617 . 0 0 "[ . 1 . 2 . ]" 1
408 1 48 MET HA 1 48 MET ME 3.900 . 6.000 4.138 1.880 4.768 . 0 0 "[ . 1 . 2 . ]" 1
409 1 48 MET HA 1 49 LEU H 3.400 . 5.000 3.526 3.362 3.589 . 0 0 "[ . 1 . 2 . ]" 1
410 1 48 MET QB 1 48 MET ME 3.870 . 5.940 2.668 1.840 3.531 . 0 0 "[ . 1 . 2 . ]" 1
411 1 48 MET QG 1 49 LEU QD 5.100 . 8.400 4.136 2.467 5.154 . 0 0 "[ . 1 . 2 . ]" 1
412 1 49 LEU H 1 50 GLY H 3.400 . 5.000 2.970 2.386 3.754 . 0 0 "[ . 1 . 2 . ]" 1
413 1 49 LEU HA 1 49 LEU QD 3.800 . 5.800 2.812 1.761 3.428 0.039 6 0 "[ . 1 . 2 . ]" 1
414 1 49 LEU HA 1 50 GLY H 3.400 . 5.000 3.121 2.502 3.603 . 0 0 "[ . 1 . 2 . ]" 1
415 1 49 LEU QB 1 50 GLY H 3.900 . 6.000 3.507 1.887 4.074 . 0 0 "[ . 1 . 2 . ]" 1
416 1 49 LEU QD 1 50 GLY H 4.600 . 7.400 3.700 2.205 4.480 . 0 0 "[ . 1 . 2 . ]" 1
417 1 50 GLY H 1 51 GLN H 3.400 . 5.000 3.236 1.776 4.255 0.024 21 0 "[ . 1 . 2 . ]" 1
418 1 50 GLY H 1 51 GLN QG 3.900 . 6.000 4.895 2.854 5.677 . 0 0 "[ . 1 . 2 . ]" 1
419 1 50 GLY QA 1 51 GLN H 3.360 . 4.920 2.326 2.129 2.899 . 0 0 "[ . 1 . 2 . ]" 1
420 1 51 GLN H 1 51 GLN QB 3.360 . 4.920 2.983 2.420 3.309 . 0 0 "[ . 1 . 2 . ]" 1
421 1 51 GLN H 1 51 GLN QG 3.900 . 6.000 2.984 2.037 4.259 . 0 0 "[ . 1 . 2 . ]" 1
422 1 51 GLN H 1 52 ASN H 3.400 . 5.000 3.536 1.688 4.472 0.112 22 0 "[ . 1 . 2 . ]" 1
423 1 51 GLN H 1 53 PRO QB 3.900 . 6.000 5.260 4.547 5.906 . 0 0 "[ . 1 . 2 . ]" 1
424 1 51 GLN HA 1 52 ASN H 3.400 . 5.000 2.869 2.338 3.620 . 0 0 "[ . 1 . 2 . ]" 1
425 1 51 GLN QB 1 52 ASN H 3.360 . 4.920 2.926 1.799 3.670 0.001 16 0 "[ . 1 . 2 . ]" 1
426 1 51 GLN QB 1 53 PRO QG 4.400 . 7.000 5.107 2.763 5.447 . 0 0 "[ . 1 . 2 . ]" 1
427 1 51 GLN QG 1 52 ASN H 3.900 . 6.000 3.871 1.755 4.732 0.045 19 0 "[ . 1 . 2 . ]" 1
428 1 51 GLN QG 1 53 PRO QB 4.400 . 7.000 5.456 5.107 5.758 . 0 0 "[ . 1 . 2 . ]" 1
429 1 52 ASN H 1 52 ASN QB 3.360 . 4.920 2.378 2.085 2.669 . 0 0 "[ . 1 . 2 . ]" 1
430 1 52 ASN H 1 53 PRO QD 3.900 . 6.000 3.232 1.763 4.146 0.037 11 0 "[ . 1 . 2 . ]" 1
431 1 52 ASN HA 1 53 PRO QB 3.900 . 6.000 4.987 4.516 5.592 . 0 0 "[ . 1 . 2 . ]" 1
432 1 52 ASN HA 1 53 PRO QD 3.360 . 4.920 2.491 1.728 3.510 0.072 17 0 "[ . 1 . 2 . ]" 1
433 1 52 ASN HA 1 53 PRO QG 3.900 . 6.000 4.385 3.712 5.274 . 0 0 "[ . 1 . 2 . ]" 1
434 1 52 ASN QB 1 52 ASN HD22 3.360 . 4.920 3.323 3.273 3.540 . 0 0 "[ . 1 . 2 . ]" 1
435 1 52 ASN QB 1 53 PRO HA 3.360 . 4.920 4.218 3.768 4.486 . 0 0 "[ . 1 . 2 . ]" 1
436 1 53 PRO QB 1 54 THR H 3.360 . 4.920 2.852 1.856 4.027 . 0 0 "[ . 1 . 2 . ]" 1
437 1 53 PRO QB 1 58 LEU H 3.900 . 6.000 4.679 3.928 5.389 . 0 0 "[ . 1 . 2 . ]" 1
438 1 53 PRO QB 1 58 LEU QD 5.100 . 8.400 2.005 1.742 2.414 0.058 4 0 "[ . 1 . 2 . ]" 1
439 1 53 PRO QB 1 58 LEU HG 3.360 . 4.920 3.996 2.993 4.309 . 0 0 "[ . 1 . 2 . ]" 1
440 1 53 PRO QD 1 58 LEU QD 4.310 . 6.820 4.078 3.244 4.522 . 0 0 "[ . 1 . 2 . ]" 1
441 1 53 PRO QG 1 58 LEU QD 4.310 . 6.820 2.892 1.747 4.020 0.053 7 0 "[ . 1 . 2 . ]" 1
442 1 54 THR H 1 54 THR HB 3.400 . 5.000 2.930 2.525 3.862 . 0 0 "[ . 1 . 2 . ]" 1
443 1 54 THR H 1 54 THR MG 3.900 . 6.000 3.543 1.770 4.044 0.030 7 0 "[ . 1 . 2 . ]" 1
444 1 54 THR H 1 55 LYS H 3.400 . 5.000 4.509 4.221 4.694 . 0 0 "[ . 1 . 2 . ]" 1
445 1 54 THR H 1 56 GLU H 3.400 . 5.000 5.024 4.935 5.096 0.096 24 0 "[ . 1 . 2 . ]" 1
446 1 54 THR H 1 57 GLU H 3.400 . 5.000 3.554 3.337 3.870 . 0 0 "[ . 1 . 2 . ]" 1
447 1 54 THR H 1 57 GLU QG 3.900 . 6.000 3.285 2.717 4.130 . 0 0 "[ . 1 . 2 . ]" 1
448 1 54 THR H 1 58 LEU H 3.400 . 5.000 4.203 2.863 4.971 . 0 0 "[ . 1 . 2 . ]" 1
449 1 54 THR HA 1 55 LYS H 3.400 . 5.000 2.484 2.284 2.873 . 0 0 "[ . 1 . 2 . ]" 1
450 1 54 THR HA 1 55 LYS QB 3.360 . 4.920 4.308 4.176 4.422 . 0 0 "[ . 1 . 2 . ]" 1
451 1 54 THR HA 1 56 GLU H 3.400 . 5.000 4.328 3.914 4.913 . 0 0 "[ . 1 . 2 . ]" 1
452 1 54 THR HA 1 58 LEU QD 4.600 . 7.400 4.079 2.979 4.460 . 0 0 "[ . 1 . 2 . ]" 1
453 1 54 THR HB 1 55 LYS HA 3.400 . 5.000 5.036 4.963 5.144 0.144 7 0 "[ . 1 . 2 . ]" 1
454 1 54 THR HB 1 55 LYS QB 3.900 . 6.000 4.800 4.249 5.449 . 0 0 "[ . 1 . 2 . ]" 1
455 1 54 THR HB 1 56 GLU H 3.400 . 5.000 3.119 2.793 3.900 . 0 0 "[ . 1 . 2 . ]" 1
456 1 54 THR MG 1 55 LYS H 3.900 . 6.000 2.218 1.761 3.640 0.039 2 0 "[ . 1 . 2 . ]" 1
457 1 54 THR MG 1 55 LYS HA 3.900 . 6.000 4.375 3.960 5.334 . 0 0 "[ . 1 . 2 . ]" 1
458 1 54 THR MG 1 55 LYS QB 4.400 . 7.000 3.525 2.889 5.277 . 0 0 "[ . 1 . 2 . ]" 1
459 1 54 THR MG 1 55 LYS QG 4.400 . 7.000 4.690 2.497 5.008 . 0 0 "[ . 1 . 2 . ]" 1
460 1 54 THR MG 1 56 GLU H 3.900 . 6.000 2.435 1.817 4.164 . 0 0 "[ . 1 . 2 . ]" 1
461 1 54 THR MG 1 56 GLU QB 4.400 . 7.000 3.594 2.680 5.168 . 0 0 "[ . 1 . 2 . ]" 1
462 1 54 THR MG 1 57 GLU H 3.900 . 6.000 3.056 2.753 3.317 . 0 0 "[ . 1 . 2 . ]" 1
463 1 54 THR MG 1 57 GLU HA 3.900 . 6.000 4.879 4.067 5.025 . 0 0 "[ . 1 . 2 . ]" 1
464 1 54 THR MG 1 58 LEU QD 5.100 . 8.400 4.412 3.726 4.702 . 0 0 "[ . 1 . 2 . ]" 1
465 1 55 LYS H 1 55 LYS QB 3.360 . 4.920 2.290 2.126 2.432 . 0 0 "[ . 1 . 2 . ]" 1
466 1 55 LYS H 1 55 LYS QD 3.360 . 4.920 4.169 3.684 4.456 . 0 0 "[ . 1 . 2 . ]" 1
467 1 55 LYS H 1 55 LYS QG 3.900 . 6.000 3.673 2.181 4.091 . 0 0 "[ . 1 . 2 . ]" 1
468 1 55 LYS H 1 56 GLU H 3.400 . 5.000 2.596 2.300 2.898 . 0 0 "[ . 1 . 2 . ]" 1
469 1 55 LYS H 1 57 GLU H 3.400 . 5.000 3.777 3.426 3.967 . 0 0 "[ . 1 . 2 . ]" 1
470 1 55 LYS HA 1 56 GLU H 3.400 . 5.000 3.522 3.473 3.568 . 0 0 "[ . 1 . 2 . ]" 1
471 1 55 LYS HA 1 58 LEU H 3.400 . 5.000 3.962 2.996 4.414 . 0 0 "[ . 1 . 2 . ]" 1
472 1 55 LYS HA 1 58 LEU QB 3.900 . 6.000 3.782 2.045 4.479 . 0 0 "[ . 1 . 2 . ]" 1
473 1 55 LYS HA 1 58 LEU QD 4.600 . 7.400 3.199 2.661 3.886 . 0 0 "[ . 1 . 2 . ]" 1
474 1 55 LYS QB 1 56 GLU H 3.900 . 6.000 2.807 2.328 3.501 . 0 0 "[ . 1 . 2 . ]" 1
475 1 55 LYS QB 1 56 GLU HA 3.360 . 4.920 4.290 3.970 4.606 . 0 0 "[ . 1 . 2 . ]" 1
476 1 55 LYS QD 1 56 GLU H 3.360 . 4.920 3.974 2.758 4.454 . 0 0 "[ . 1 . 2 . ]" 1
477 1 55 LYS QG 1 56 GLU H 3.900 . 6.000 3.501 1.829 4.661 . 0 0 "[ . 1 . 2 . ]" 1
478 1 55 LYS QG 1 56 GLU HA 3.900 . 6.000 3.765 2.888 5.408 . 0 0 "[ . 1 . 2 . ]" 1
479 1 55 LYS QG 1 56 GLU QG 4.400 . 7.000 4.670 3.126 5.513 . 0 0 "[ . 1 . 2 . ]" 1
480 1 55 LYS QG 1 58 LEU QD 5.100 . 8.400 4.774 4.084 5.418 . 0 0 "[ . 1 . 2 . ]" 1
481 1 55 LYS QG 1 59 ASP QB 4.400 . 7.000 4.796 4.122 5.364 . 0 0 "[ . 1 . 2 . ]" 1
482 1 56 GLU H 1 56 GLU QB 3.360 . 4.920 2.504 2.077 2.867 . 0 0 "[ . 1 . 2 . ]" 1
483 1 56 GLU H 1 56 GLU QG 3.360 . 4.920 2.810 1.822 4.074 . 0 0 "[ . 1 . 2 . ]" 1
484 1 56 GLU H 1 57 GLU H 3.400 . 5.000 2.313 2.213 2.632 . 0 0 "[ . 1 . 2 . ]" 1
485 1 56 GLU H 1 58 LEU H 3.400 . 5.000 4.166 3.688 4.453 . 0 0 "[ . 1 . 2 . ]" 1
486 1 56 GLU H 1 59 ASP H 3.400 . 5.000 4.953 4.766 5.053 0.053 22 0 "[ . 1 . 2 . ]" 1
487 1 56 GLU H 1 59 ASP QB 3.900 . 6.000 4.914 4.590 5.249 . 0 0 "[ . 1 . 2 . ]" 1
488 1 56 GLU HA 1 56 GLU QG 3.360 . 4.920 2.786 1.979 3.389 . 0 0 "[ . 1 . 2 . ]" 1
489 1 56 GLU HA 1 57 GLU H 3.400 . 5.000 3.449 3.384 3.520 . 0 0 "[ . 1 . 2 . ]" 1
490 1 56 GLU HA 1 59 ASP H 3.400 . 5.000 3.162 2.943 3.547 . 0 0 "[ . 1 . 2 . ]" 1
491 1 56 GLU HA 1 59 ASP HA 3.400 . 5.000 4.892 4.661 5.033 0.033 11 0 "[ . 1 . 2 . ]" 1
492 1 56 GLU HA 1 59 ASP QB 3.360 . 4.920 2.381 2.079 2.835 . 0 0 "[ . 1 . 2 . ]" 1
493 1 56 GLU QB 1 57 GLU H 3.360 . 4.920 3.323 2.775 3.740 . 0 0 "[ . 1 . 2 . ]" 1
494 1 56 GLU QG 1 57 GLU H 3.360 . 4.920 3.234 1.850 4.473 . 0 0 "[ . 1 . 2 . ]" 1
495 1 56 GLU QG 1 57 GLU HA 3.900 . 6.000 4.173 3.139 5.376 . 0 0 "[ . 1 . 2 . ]" 1
496 1 57 GLU H 1 57 GLU QG 3.900 . 6.000 3.952 3.486 4.084 . 0 0 "[ . 1 . 2 . ]" 1
497 1 57 GLU H 1 58 LEU H 3.400 . 5.000 2.614 2.400 2.811 . 0 0 "[ . 1 . 2 . ]" 1
498 1 57 GLU H 1 59 ASP H 3.400 . 5.000 3.865 3.631 3.994 . 0 0 "[ . 1 . 2 . ]" 1
499 1 57 GLU HA 1 60 ALA MB 3.900 . 6.000 3.583 2.947 4.319 . 0 0 "[ . 1 . 2 . ]" 1
500 1 57 GLU HA 1 61 ILE MD 3.900 . 6.000 4.515 4.084 4.912 . 0 0 "[ . 1 . 2 . ]" 1
501 1 57 GLU QG 1 61 ILE MD 4.400 . 7.000 3.747 2.968 5.123 . 0 0 "[ . 1 . 2 . ]" 1
502 1 58 LEU H 1 58 LEU QD 3.800 . 5.800 1.977 1.754 3.096 0.046 20 0 "[ . 1 . 2 . ]" 1
503 1 58 LEU H 1 58 LEU HG 3.400 . 5.000 3.925 2.807 4.331 . 0 0 "[ . 1 . 2 . ]" 1
504 1 58 LEU H 1 59 ASP H 3.400 . 5.000 2.409 2.256 2.545 . 0 0 "[ . 1 . 2 . ]" 1
505 1 58 LEU H 1 60 ALA H 3.400 . 5.000 4.249 3.860 4.675 . 0 0 "[ . 1 . 2 . ]" 1
506 1 58 LEU HA 1 58 LEU QD 3.800 . 5.800 1.857 1.755 2.570 0.045 22 0 "[ . 1 . 2 . ]" 1
507 1 58 LEU HA 1 58 LEU HG 3.400 . 5.000 3.526 2.442 3.649 . 0 0 "[ . 1 . 2 . ]" 1
508 1 58 LEU HA 1 60 ALA MB 3.900 . 6.000 4.423 4.002 4.856 . 0 0 "[ . 1 . 2 . ]" 1
509 1 58 LEU HA 1 61 ILE H 3.400 . 5.000 3.540 3.331 3.753 . 0 0 "[ . 1 . 2 . ]" 1
510 1 58 LEU HA 1 61 ILE HB 3.400 . 5.000 4.065 3.917 4.359 . 0 0 "[ . 1 . 2 . ]" 1
511 1 58 LEU HA 1 61 ILE MD 3.900 . 6.000 1.756 1.666 1.991 0.134 5 0 "[ . 1 . 2 . ]" 1
512 1 58 LEU HA 1 61 ILE MG 3.900 . 6.000 5.079 4.538 5.148 . 0 0 "[ . 1 . 2 . ]" 1
513 1 59 ASP H 1 59 ASP QB 3.360 . 4.920 2.224 2.073 2.402 . 0 0 "[ . 1 . 2 . ]" 1
514 1 59 ASP H 1 60 ALA H 3.400 . 5.000 2.513 2.284 2.743 . 0 0 "[ . 1 . 2 . ]" 1
515 1 59 ASP HA 1 60 ALA H 3.400 . 5.000 3.486 3.348 3.579 . 0 0 "[ . 1 . 2 . ]" 1
516 1 59 ASP HA 1 62 ILE H 3.400 . 5.000 3.337 2.893 3.970 . 0 0 "[ . 1 . 2 . ]" 1
517 1 59 ASP HA 1 62 ILE HB 3.400 . 5.000 2.315 1.910 4.147 . 0 0 "[ . 1 . 2 . ]" 1
518 1 59 ASP HA 1 62 ILE MD 3.900 . 6.000 4.354 2.655 4.977 . 0 0 "[ . 1 . 2 . ]" 1
519 1 59 ASP HA 1 62 ILE MG 3.900 . 6.000 3.222 1.940 3.828 . 0 0 "[ . 1 . 2 . ]" 1
520 1 59 ASP QB 1 60 ALA H 3.360 . 4.920 2.889 2.464 3.281 . 0 0 "[ . 1 . 2 . ]" 1
521 1 59 ASP QB 1 63 GLU H 3.900 . 6.000 5.172 4.831 5.371 . 0 0 "[ . 1 . 2 . ]" 1
522 1 60 ALA H 1 61 ILE H 3.400 . 5.000 2.732 2.346 2.976 . 0 0 "[ . 1 . 2 . ]" 1
523 1 60 ALA H 1 61 ILE MD 3.900 . 6.000 3.362 2.884 4.883 . 0 0 "[ . 1 . 2 . ]" 1
524 1 60 ALA HA 1 61 ILE H 3.400 . 5.000 3.572 3.504 3.588 . 0 0 "[ . 1 . 2 . ]" 1
525 1 60 ALA HA 1 61 ILE HA 3.400 . 5.000 4.749 4.672 4.811 . 0 0 "[ . 1 . 2 . ]" 1
526 1 60 ALA HA 1 63 GLU H 3.400 . 5.000 3.586 3.358 4.082 . 0 0 "[ . 1 . 2 . ]" 1
527 1 60 ALA HA 1 63 GLU QB 3.900 . 6.000 2.886 2.146 3.742 . 0 0 "[ . 1 . 2 . ]" 1
528 1 60 ALA HA 1 64 GLU H 3.400 . 5.000 5.001 4.755 5.039 0.039 6 0 "[ . 1 . 2 . ]" 1
529 1 60 ALA MB 1 61 ILE H 3.900 . 6.000 2.434 2.071 2.863 . 0 0 "[ . 1 . 2 . ]" 1
530 1 60 ALA MB 1 61 ILE HA 3.900 . 6.000 3.760 3.643 3.920 . 0 0 "[ . 1 . 2 . ]" 1
531 1 60 ALA MB 1 61 ILE MG 4.400 . 7.000 4.493 3.745 4.601 . 0 0 "[ . 1 . 2 . ]" 1
532 1 60 ALA MB 1 63 GLU QB 4.400 . 7.000 4.145 3.632 4.845 . 0 0 "[ . 1 . 2 . ]" 1
533 1 61 ILE H 1 61 ILE MG 3.900 . 6.000 3.679 3.078 3.774 . 0 0 "[ . 1 . 2 . ]" 1
534 1 61 ILE H 1 62 ILE H 3.400 . 5.000 2.538 2.255 2.851 . 0 0 "[ . 1 . 2 . ]" 1
535 1 61 ILE H 1 63 GLU H 3.400 . 5.000 4.021 3.699 4.984 . 0 0 "[ . 1 . 2 . ]" 1
536 1 61 ILE HA 1 61 ILE MD 3.900 . 6.000 3.772 3.676 4.127 . 0 0 "[ . 1 . 2 . ]" 1
537 1 61 ILE HA 1 62 ILE H 3.400 . 5.000 3.507 3.402 3.575 . 0 0 "[ . 1 . 2 . ]" 1
538 1 61 ILE HA 1 64 GLU H 3.400 . 5.000 3.575 2.932 4.353 . 0 0 "[ . 1 . 2 . ]" 1
539 1 61 ILE HA 1 64 GLU QB 3.900 . 6.000 3.749 2.214 5.282 . 0 0 "[ . 1 . 2 . ]" 1
540 1 61 ILE HB 1 62 ILE QG 3.900 . 6.000 3.601 3.019 5.097 . 0 0 "[ . 1 . 2 . ]" 1
541 1 61 ILE MD 1 62 ILE H 3.900 . 6.000 3.020 2.680 3.454 . 0 0 "[ . 1 . 2 . ]" 1
542 1 61 ILE MD 1 62 ILE HA 3.900 . 6.000 4.876 4.806 4.950 . 0 0 "[ . 1 . 2 . ]" 1
543 1 61 ILE MG 1 62 ILE H 3.900 . 6.000 4.050 3.841 4.256 . 0 0 "[ . 1 . 2 . ]" 1
544 1 61 ILE MG 1 62 ILE HA 3.900 . 6.000 4.384 4.183 5.088 . 0 0 "[ . 1 . 2 . ]" 1
545 1 61 ILE MG 1 64 GLU QG 4.400 . 7.000 3.265 1.925 4.723 . 0 0 "[ . 1 . 2 . ]" 1
546 1 61 ILE MG 1 81 MET ME 4.400 . 7.000 3.300 1.814 4.717 . 0 0 "[ . 1 . 2 . ]" 1
547 1 62 ILE H 1 62 ILE HB 3.400 . 5.000 2.316 2.109 2.538 . 0 0 "[ . 1 . 2 . ]" 1
548 1 62 ILE H 1 62 ILE MD 3.900 . 6.000 3.870 3.347 4.355 . 0 0 "[ . 1 . 2 . ]" 1
549 1 62 ILE H 1 62 ILE QG 3.360 . 4.920 2.722 2.071 3.966 . 0 0 "[ . 1 . 2 . ]" 1
550 1 62 ILE H 1 62 ILE MG 3.900 . 6.000 3.586 2.366 3.780 . 0 0 "[ . 1 . 2 . ]" 1
551 1 62 ILE H 1 63 GLU H 3.400 . 5.000 2.574 2.314 3.035 . 0 0 "[ . 1 . 2 . ]" 1
552 1 62 ILE HA 1 62 ILE MD 3.900 . 6.000 2.342 1.819 3.760 . 0 0 "[ . 1 . 2 . ]" 1
553 1 62 ILE HA 1 62 ILE QG 3.360 . 4.920 2.510 2.126 2.810 . 0 0 "[ . 1 . 2 . ]" 1
554 1 62 ILE HA 1 63 GLU H 3.400 . 5.000 3.448 3.238 3.589 . 0 0 "[ . 1 . 2 . ]" 1
555 1 62 ILE HA 1 65 VAL QG 4.600 . 7.400 2.640 1.789 3.807 0.011 4 0 "[ . 1 . 2 . ]" 1
556 1 62 ILE HB 1 63 GLU H 3.400 . 5.000 3.182 2.415 4.121 . 0 0 "[ . 1 . 2 . ]" 1
557 1 62 ILE MD 1 63 GLU H 3.900 . 6.000 4.736 4.360 5.028 . 0 0 "[ . 1 . 2 . ]" 1
558 1 62 ILE MD 1 66 ASP HA 3.900 . 6.000 4.610 3.002 4.915 . 0 0 "[ . 1 . 2 . ]" 1
559 1 62 ILE MD 1 72 THR H 3.900 . 6.000 3.659 2.234 5.066 . 0 0 "[ . 1 . 2 . ]" 1
560 1 62 ILE MD 1 72 THR HA 3.900 . 6.000 2.683 1.701 3.454 0.099 6 0 "[ . 1 . 2 . ]" 1
561 1 62 ILE MD 1 73 ILE MG 4.400 . 7.000 3.663 1.952 4.833 . 0 0 "[ . 1 . 2 . ]" 1
562 1 62 ILE QG 1 65 VAL QG 5.100 . 8.400 4.123 3.011 5.089 . 0 0 "[ . 1 . 2 . ]" 1
563 1 62 ILE QG 1 66 ASP H 3.900 . 6.000 5.099 3.578 5.407 . 0 0 "[ . 1 . 2 . ]" 1
564 1 62 ILE MG 1 63 GLU H 3.900 . 6.000 3.340 2.196 3.956 . 0 0 "[ . 1 . 2 . ]" 1
565 1 62 ILE MG 1 63 GLU HA 3.900 . 6.000 3.293 2.786 3.682 . 0 0 "[ . 1 . 2 . ]" 1
566 1 62 ILE MG 1 65 VAL QG 5.100 . 8.400 3.673 2.681 4.696 . 0 0 "[ . 1 . 2 . ]" 1
567 1 62 ILE MG 1 66 ASP H 3.900 . 6.000 3.269 2.516 4.170 . 0 0 "[ . 1 . 2 . ]" 1
568 1 62 ILE MG 1 66 ASP QB 3.870 . 5.940 1.978 1.631 3.206 0.169 8 0 "[ . 1 . 2 . ]" 1
569 1 62 ILE MG 1 71 GLY QA 4.400 . 7.000 2.611 1.716 5.184 0.084 28 0 "[ . 1 . 2 . ]" 1
570 1 62 ILE MG 1 72 THR HA 3.900 . 6.000 3.927 2.916 4.754 . 0 0 "[ . 1 . 2 . ]" 1
571 1 62 ILE MG 1 72 THR MG 4.400 . 7.000 4.398 3.747 4.725 . 0 0 "[ . 1 . 2 . ]" 1
572 1 62 ILE MG 1 73 ILE QG 4.400 . 7.000 3.882 2.588 4.826 . 0 0 "[ . 1 . 2 . ]" 1
573 1 63 GLU H 1 63 GLU QB 3.360 . 4.920 2.229 2.064 2.314 . 0 0 "[ . 1 . 2 . ]" 1
574 1 63 GLU H 1 63 GLU QG 3.360 . 4.920 3.766 2.664 4.114 . 0 0 "[ . 1 . 2 . ]" 1
575 1 63 GLU H 1 64 GLU H 3.400 . 5.000 2.560 2.237 2.913 . 0 0 "[ . 1 . 2 . ]" 1
576 1 63 GLU HA 1 64 GLU H 3.400 . 5.000 3.505 3.400 3.584 . 0 0 "[ . 1 . 2 . ]" 1
577 1 63 GLU HA 1 66 ASP QB 3.360 . 4.920 3.564 1.918 4.442 . 0 0 "[ . 1 . 2 . ]" 1
578 1 63 GLU QB 1 64 GLU H 3.360 . 4.920 2.780 1.972 3.188 . 0 0 "[ . 1 . 2 . ]" 1
579 1 63 GLU QG 1 64 GLU H 3.360 . 4.920 4.055 3.199 4.487 . 0 0 "[ . 1 . 2 . ]" 1
580 1 64 GLU H 1 64 GLU QB 3.360 . 4.920 2.483 2.144 2.773 . 0 0 "[ . 1 . 2 . ]" 1
581 1 64 GLU H 1 64 GLU QG 3.360 . 4.920 2.614 1.844 4.086 . 0 0 "[ . 1 . 2 . ]" 1
582 1 64 GLU H 1 65 VAL H 3.400 . 5.000 2.760 2.380 3.485 . 0 0 "[ . 1 . 2 . ]" 1
583 1 64 GLU H 1 66 ASP H 3.400 . 5.000 4.306 3.709 4.933 . 0 0 "[ . 1 . 2 . ]" 1
584 1 64 GLU HA 1 65 VAL H 3.400 . 5.000 3.287 2.708 3.609 . 0 0 "[ . 1 . 2 . ]" 1
585 1 64 GLU QB 1 65 VAL H 3.360 . 4.920 3.586 2.233 4.080 . 0 0 "[ . 1 . 2 . ]" 1
586 1 64 GLU QB 1 65 VAL QG 5.100 . 8.400 3.292 2.337 4.451 . 0 0 "[ . 1 . 2 . ]" 1
587 1 64 GLU QG 1 65 VAL H 3.360 . 4.920 3.053 1.944 4.040 . 0 0 "[ . 1 . 2 . ]" 1
588 1 64 GLU QG 1 65 VAL HA 3.900 . 6.000 4.008 3.331 4.524 . 0 0 "[ . 1 . 2 . ]" 1
589 1 64 GLU QG 1 65 VAL QG 5.100 . 8.400 2.152 1.754 3.700 0.046 12 0 "[ . 1 . 2 . ]" 1
590 1 64 GLU QG 1 81 MET ME 4.400 . 7.000 5.047 4.668 5.269 . 0 0 "[ . 1 . 2 . ]" 1
591 1 65 VAL H 1 65 VAL HB 3.400 . 5.000 3.475 2.700 3.922 . 0 0 "[ . 1 . 2 . ]" 1
592 1 65 VAL H 1 65 VAL QG 3.800 . 5.800 2.177 1.806 3.041 . 0 0 "[ . 1 . 2 . ]" 1
593 1 65 VAL H 1 66 ASP H 3.400 . 5.000 2.220 1.843 2.604 . 0 0 "[ . 1 . 2 . ]" 1
594 1 65 VAL H 1 67 GLU H 3.400 . 5.000 4.791 3.557 5.177 0.177 21 0 "[ . 1 . 2 . ]" 1
595 1 65 VAL HB 1 66 ASP H 3.400 . 5.000 3.043 1.985 4.078 . 0 0 "[ . 1 . 2 . ]" 1
596 1 65 VAL HB 1 73 ILE MG 3.900 . 6.000 3.386 2.004 4.899 . 0 0 "[ . 1 . 2 . ]" 1
597 1 65 VAL QG 1 66 ASP H 4.600 . 7.400 2.230 1.760 3.444 0.040 18 0 "[ . 1 . 2 . ]" 1
598 1 65 VAL QG 1 66 ASP HA 4.600 . 7.400 3.672 2.936 4.193 . 0 0 "[ . 1 . 2 . ]" 1
599 1 65 VAL QG 1 66 ASP QB 4.310 . 6.820 3.513 2.650 4.404 . 0 0 "[ . 1 . 2 . ]" 1
600 1 65 VAL QG 1 73 ILE HB 4.600 . 7.400 4.246 3.194 5.222 . 0 0 "[ . 1 . 2 . ]" 1
601 1 65 VAL QG 1 73 ILE QG 5.100 . 8.400 3.074 1.641 4.517 0.159 11 0 "[ . 1 . 2 . ]" 1
602 1 65 VAL QG 1 73 ILE MG 4.310 . 6.820 2.511 1.723 3.213 0.077 6 0 "[ . 1 . 2 . ]" 1
603 1 65 VAL QG 1 81 MET H 4.600 . 7.400 4.109 2.985 5.245 . 0 0 "[ . 1 . 2 . ]" 1
604 1 65 VAL QG 1 81 MET HA 4.600 . 7.400 4.199 3.272 5.500 . 0 0 "[ . 1 . 2 . ]" 1
605 1 65 VAL QG 1 81 MET QB 5.100 . 8.400 2.889 1.781 4.813 0.019 4 0 "[ . 1 . 2 . ]" 1
606 1 65 VAL QG 1 81 MET ME 5.100 . 8.400 3.249 2.323 4.875 . 0 0 "[ . 1 . 2 . ]" 1
607 1 65 VAL QG 1 84 ARG QD 5.100 . 8.400 4.990 4.249 5.540 . 0 0 "[ . 1 . 2 . ]" 1
608 1 66 ASP H 1 66 ASP QB 3.360 . 4.920 2.365 2.115 2.855 . 0 0 "[ . 1 . 2 . ]" 1
609 1 66 ASP H 1 67 GLU H 3.400 . 5.000 3.740 2.751 4.193 . 0 0 "[ . 1 . 2 . ]" 1
610 1 66 ASP HA 1 67 GLU H 3.400 . 5.000 2.748 2.281 3.598 . 0 0 "[ . 1 . 2 . ]" 1
611 1 66 ASP HA 1 72 THR H 3.400 . 5.000 4.566 3.092 5.023 0.023 5 0 "[ . 1 . 2 . ]" 1
612 1 66 ASP QB 1 67 GLU H 3.360 . 4.920 3.494 1.823 4.083 . 0 0 "[ . 1 . 2 . ]" 1
613 1 67 GLU H 1 67 GLU QB 3.360 . 4.920 2.482 2.098 2.958 . 0 0 "[ . 1 . 2 . ]" 1
614 1 67 GLU H 1 67 GLU QG 3.360 . 4.920 3.421 1.806 4.314 . 0 0 "[ . 1 . 2 . ]" 1
615 1 67 GLU H 1 68 ASP H 3.400 . 5.000 2.805 1.999 4.646 . 0 0 "[ . 1 . 2 . ]" 1
616 1 67 GLU HA 1 67 GLU QG 3.360 . 4.920 2.489 1.910 3.306 . 0 0 "[ . 1 . 2 . ]" 1
617 1 67 GLU HA 1 68 ASP H 3.400 . 5.000 3.435 2.230 3.589 . 0 0 "[ . 1 . 2 . ]" 1
618 1 67 GLU HA 1 69 GLY H 3.400 . 5.000 4.412 3.554 4.993 . 0 0 "[ . 1 . 2 . ]" 1
619 1 67 GLU QB 1 68 ASP H 3.360 . 4.920 2.710 1.835 3.626 . 0 0 "[ . 1 . 2 . ]" 1
620 1 67 GLU QG 1 68 ASP H 3.360 . 4.920 3.527 1.820 4.184 . 0 0 "[ . 1 . 2 . ]" 1
621 1 67 GLU QG 1 68 ASP QB 4.400 . 7.000 4.741 3.104 5.625 . 0 0 "[ . 1 . 2 . ]" 1
622 1 68 ASP H 1 68 ASP QB 3.360 . 4.920 2.451 2.078 3.014 . 0 0 "[ . 1 . 2 . ]" 1
623 1 68 ASP H 1 69 GLY H 3.400 . 5.000 2.613 1.861 3.262 . 0 0 "[ . 1 . 2 . ]" 1
624 1 68 ASP H 1 69 GLY QA 3.900 . 6.000 4.426 3.766 4.810 . 0 0 "[ . 1 . 2 . ]" 1
625 1 68 ASP H 1 70 SER H 3.400 . 5.000 4.403 2.716 5.045 0.045 20 0 "[ . 1 . 2 . ]" 1
626 1 68 ASP HA 1 69 GLY H 3.400 . 5.000 3.467 3.095 3.589 . 0 0 "[ . 1 . 2 . ]" 1
627 1 68 ASP QB 1 69 GLY H 3.360 . 4.920 2.823 1.875 3.925 . 0 0 "[ . 1 . 2 . ]" 1
628 1 68 ASP QB 1 70 SER QB 4.400 . 7.000 4.088 2.745 5.475 . 0 0 "[ . 1 . 2 . ]" 1
629 1 69 GLY H 1 70 SER H 3.400 . 5.000 2.307 1.853 3.507 . 0 0 "[ . 1 . 2 . ]" 1
630 1 69 GLY H 1 71 GLY H 3.400 . 5.000 3.845 2.689 5.093 0.093 20 0 "[ . 1 . 2 . ]" 1
631 1 69 GLY QA 1 70 SER H 3.360 . 4.920 2.695 2.401 2.937 . 0 0 "[ . 1 . 2 . ]" 1
632 1 69 GLY QA 1 71 GLY H 3.900 . 6.000 3.905 3.252 4.811 . 0 0 "[ . 1 . 2 . ]" 1
633 1 70 SER H 1 70 SER QB 3.360 . 4.920 2.608 2.078 3.141 . 0 0 "[ . 1 . 2 . ]" 1
634 1 70 SER H 1 71 GLY H 3.400 . 5.000 2.342 1.860 4.104 . 0 0 "[ . 1 . 2 . ]" 1
635 1 70 SER H 1 71 GLY QA 3.900 . 6.000 4.158 3.674 5.262 . 0 0 "[ . 1 . 2 . ]" 1
636 1 70 SER H 1 72 THR H 3.400 . 5.000 4.024 3.029 5.067 0.067 16 0 "[ . 1 . 2 . ]" 1
637 1 70 SER H 1 72 THR MG 3.900 . 6.000 4.290 2.987 5.022 . 0 0 "[ . 1 . 2 . ]" 1
638 1 70 SER HA 1 72 THR H 3.400 . 5.000 4.778 3.958 5.034 0.034 26 0 "[ . 1 . 2 . ]" 1
639 1 70 SER QB 1 71 GLY H 3.360 . 4.920 3.017 2.140 4.075 . 0 0 "[ . 1 . 2 . ]" 1
640 1 70 SER QB 1 72 THR H 3.900 . 6.000 3.449 2.575 5.381 . 0 0 "[ . 1 . 2 . ]" 1
641 1 70 SER QB 1 72 THR MG 4.400 . 7.000 2.710 1.784 5.087 0.016 10 0 "[ . 1 . 2 . ]" 1
642 1 71 GLY H 1 72 THR H 3.400 . 5.000 2.535 1.842 4.156 . 0 0 "[ . 1 . 2 . ]" 1
643 1 71 GLY QA 1 72 THR H 3.360 . 4.920 2.754 2.260 2.953 . 0 0 "[ . 1 . 2 . ]" 1
644 1 71 GLY QA 1 72 THR MG 3.870 . 5.940 3.398 3.003 4.423 . 0 0 "[ . 1 . 2 . ]" 1
645 1 72 THR H 1 72 THR MG 3.900 . 6.000 2.364 1.880 3.900 . 0 0 "[ . 1 . 2 . ]" 1
646 1 72 THR H 1 73 ILE H 3.400 . 5.000 4.380 4.253 4.526 . 0 0 "[ . 1 . 2 . ]" 1
647 1 72 THR HA 1 73 ILE H 3.400 . 5.000 2.560 2.244 2.953 . 0 0 "[ . 1 . 2 . ]" 1
648 1 72 THR HB 1 73 ILE H 3.400 . 5.000 3.013 1.844 3.954 . 0 0 "[ . 1 . 2 . ]" 1
649 1 72 THR MG 1 73 ILE H 3.900 . 6.000 3.811 2.443 4.169 . 0 0 "[ . 1 . 2 . ]" 1
650 1 72 THR MG 1 73 ILE HA 3.900 . 6.000 4.775 4.160 5.223 . 0 0 "[ . 1 . 2 . ]" 1
651 1 72 THR MG 1 73 ILE QG 4.400 . 7.000 4.697 3.453 5.051 . 0 0 "[ . 1 . 2 . ]" 1
652 1 73 ILE H 1 73 ILE HB 3.400 . 5.000 3.231 2.416 3.908 . 0 0 "[ . 1 . 2 . ]" 1
653 1 73 ILE H 1 73 ILE MD 3.900 . 6.000 3.406 1.942 4.206 . 0 0 "[ . 1 . 2 . ]" 1
654 1 73 ILE H 1 73 ILE MG 3.900 . 6.000 3.739 3.135 4.029 . 0 0 "[ . 1 . 2 . ]" 1
655 1 73 ILE H 1 74 ASP H 3.400 . 5.000 4.429 4.259 4.606 . 0 0 "[ . 1 . 2 . ]" 1
656 1 73 ILE HA 1 73 ILE MD 3.900 . 6.000 3.798 2.186 4.132 . 0 0 "[ . 1 . 2 . ]" 1
657 1 73 ILE HA 1 73 ILE QG 3.360 . 4.920 2.825 2.292 3.296 . 0 0 "[ . 1 . 2 . ]" 1
658 1 73 ILE HA 1 74 ASP H 3.400 . 5.000 2.372 2.241 2.769 . 0 0 "[ . 1 . 2 . ]" 1
659 1 73 ILE HB 1 74 ASP H 3.400 . 5.000 3.249 1.859 4.168 . 0 0 "[ . 1 . 2 . ]" 1
660 1 73 ILE QG 1 74 ASP H 3.900 . 6.000 4.149 3.593 4.750 . 0 0 "[ . 1 . 2 . ]" 1
661 1 73 ILE QG 1 78 PHE H 3.900 . 6.000 5.132 4.632 5.381 . 0 0 "[ . 1 . 2 . ]" 1
662 1 73 ILE MG 1 74 ASP H 3.900 . 6.000 2.593 1.851 3.657 . 0 0 "[ . 1 . 2 . ]" 1
663 1 73 ILE MG 1 78 PHE H 3.900 . 6.000 3.119 1.844 4.714 . 0 0 "[ . 1 . 2 . ]" 1
664 1 73 ILE MG 1 78 PHE HA 3.900 . 6.000 3.173 1.844 4.414 . 0 0 "[ . 1 . 2 . ]" 1
665 1 73 ILE MG 1 78 PHE QB 3.870 . 5.940 3.052 1.839 4.172 . 0 0 "[ . 1 . 2 . ]" 1
666 1 73 ILE MG 1 81 MET ME 4.400 . 7.000 3.889 2.573 4.738 . 0 0 "[ . 1 . 2 . ]" 1
667 1 74 ASP H 1 74 ASP QB 3.360 . 4.920 2.648 2.180 3.343 . 0 0 "[ . 1 . 2 . ]" 1
668 1 74 ASP H 1 75 PHE H 3.400 . 5.000 4.374 4.147 4.520 . 0 0 "[ . 1 . 2 . ]" 1
669 1 74 ASP H 1 76 GLU H 3.400 . 5.000 4.241 3.636 4.849 . 0 0 "[ . 1 . 2 . ]" 1
670 1 74 ASP H 1 77 GLU H 3.400 . 5.000 3.419 2.721 4.022 . 0 0 "[ . 1 . 2 . ]" 1
671 1 74 ASP H 1 77 GLU QB 3.900 . 6.000 2.768 1.771 4.315 0.029 6 0 "[ . 1 . 2 . ]" 1
672 1 74 ASP H 1 77 GLU QG 3.900 . 6.000 4.044 1.893 5.323 . 0 0 "[ . 1 . 2 . ]" 1
673 1 74 ASP HA 1 75 PHE H 3.400 . 5.000 2.779 2.492 3.059 . 0 0 "[ . 1 . 2 . ]" 1
674 1 74 ASP QB 1 75 PHE H 3.360 . 4.920 2.066 1.826 3.273 . 0 0 "[ . 1 . 2 . ]" 1
675 1 75 PHE H 1 75 PHE QB 3.360 . 4.920 2.243 2.124 2.352 . 0 0 "[ . 1 . 2 . ]" 1
676 1 75 PHE H 1 75 PHE HE1 3.400 . 5.000 4.791 4.377 5.026 0.026 16 0 "[ . 1 . 2 . ]" 1
677 1 75 PHE H 1 76 GLU H 3.400 . 5.000 2.479 2.242 2.966 . 0 0 "[ . 1 . 2 . ]" 1
678 1 75 PHE HA 1 78 PHE H 3.400 . 5.000 3.857 3.379 4.707 . 0 0 "[ . 1 . 2 . ]" 1
679 1 75 PHE HE1 1 79 LEU QD 4.600 . 7.400 5.063 4.481 5.490 . 0 0 "[ . 1 . 2 . ]" 1
680 1 76 GLU H 1 76 GLU QB 3.360 . 4.920 2.333 2.081 2.834 . 0 0 "[ . 1 . 2 . ]" 1
681 1 76 GLU H 1 76 GLU QG 3.900 . 6.000 3.183 1.820 4.079 . 0 0 "[ . 1 . 2 . ]" 1
682 1 76 GLU H 1 77 GLU H 3.400 . 5.000 2.690 2.286 3.542 . 0 0 "[ . 1 . 2 . ]" 1
683 1 76 GLU H 1 78 PHE H 3.400 . 5.000 3.820 3.326 4.498 . 0 0 "[ . 1 . 2 . ]" 1
684 1 76 GLU HA 1 79 LEU H 3.400 . 5.000 3.883 3.351 4.512 . 0 0 "[ . 1 . 2 . ]" 1
685 1 76 GLU HA 1 79 LEU QD 4.600 . 7.400 2.967 1.725 4.368 0.075 2 0 "[ . 1 . 2 . ]" 1
686 1 76 GLU QG 1 79 LEU QD 5.100 . 8.400 4.142 2.578 5.346 . 0 0 "[ . 1 . 2 . ]" 1
687 1 77 GLU H 1 77 GLU QG 3.360 . 4.920 2.796 1.858 4.052 . 0 0 "[ . 1 . 2 . ]" 1
688 1 77 GLU H 1 78 PHE H 3.400 . 5.000 2.598 2.285 2.947 . 0 0 "[ . 1 . 2 . ]" 1
689 1 77 GLU HA 1 78 PHE H 3.400 . 5.000 3.529 3.397 3.591 . 0 0 "[ . 1 . 2 . ]" 1
690 1 77 GLU HA 1 80 VAL H 3.400 . 5.000 3.440 2.853 4.341 . 0 0 "[ . 1 . 2 . ]" 1
691 1 77 GLU HA 1 80 VAL HB 3.400 . 5.000 4.183 3.008 5.021 0.021 21 0 "[ . 1 . 2 . ]" 1
692 1 77 GLU HA 1 80 VAL QG 4.600 . 7.400 2.248 1.707 4.069 0.093 19 0 "[ . 1 . 2 . ]" 1
693 1 77 GLU QG 1 78 PHE H 3.900 . 6.000 4.128 1.828 4.637 . 0 0 "[ . 1 . 2 . ]" 1
694 1 78 PHE H 1 78 PHE QB 3.360 . 4.920 2.245 2.084 2.358 . 0 0 "[ . 1 . 2 . ]" 1
695 1 78 PHE H 1 79 LEU H 3.400 . 5.000 2.685 2.308 3.011 . 0 0 "[ . 1 . 2 . ]" 1
696 1 78 PHE HA 1 81 MET ME 3.900 . 6.000 2.944 2.029 3.654 . 0 0 "[ . 1 . 2 . ]" 1
697 1 78 PHE HE2 1 81 MET ME 3.900 . 6.000 4.790 4.002 5.062 . 0 0 "[ . 1 . 2 . ]" 1
698 1 79 LEU H 1 79 LEU QB 3.360 . 4.920 2.223 2.058 2.711 . 0 0 "[ . 1 . 2 . ]" 1
699 1 79 LEU H 1 79 LEU QD 4.600 . 7.400 3.031 2.165 3.679 . 0 0 "[ . 1 . 2 . ]" 1
700 1 79 LEU H 1 79 LEU HG 3.400 . 5.000 3.438 1.876 4.522 . 0 0 "[ . 1 . 2 . ]" 1
701 1 79 LEU H 1 80 VAL H 3.400 . 5.000 2.569 2.279 2.867 . 0 0 "[ . 1 . 2 . ]" 1
702 1 79 LEU HA 1 79 LEU QD 3.800 . 5.800 2.316 1.823 3.438 . 0 0 "[ . 1 . 2 . ]" 1
703 1 79 LEU HA 1 79 LEU HG 3.400 . 5.000 2.492 1.911 3.555 . 0 0 "[ . 1 . 2 . ]" 1
704 1 79 LEU HA 1 80 VAL H 3.400 . 5.000 3.543 3.455 3.589 . 0 0 "[ . 1 . 2 . ]" 1
705 1 79 LEU QB 1 80 VAL H 3.900 . 6.000 2.703 2.265 3.526 . 0 0 "[ . 1 . 2 . ]" 1
706 1 79 LEU QD 1 80 VAL H 4.600 . 7.400 3.986 2.869 4.309 . 0 0 "[ . 1 . 2 . ]" 1
707 1 79 LEU QD 1 82 MET QG 5.100 . 8.400 4.307 3.166 5.167 . 0 0 "[ . 1 . 2 . ]" 1
708 1 80 VAL H 1 80 VAL HB 3.400 . 5.000 2.877 2.338 3.629 . 0 0 "[ . 1 . 2 . ]" 1
709 1 80 VAL H 1 80 VAL QG 3.800 . 5.800 2.074 1.820 2.511 . 0 0 "[ . 1 . 2 . ]" 1
710 1 80 VAL H 1 81 MET H 3.400 . 5.000 2.695 2.340 3.104 . 0 0 "[ . 1 . 2 . ]" 1
711 1 80 VAL HA 1 83 VAL H 3.400 . 5.000 3.522 2.907 3.998 . 0 0 "[ . 1 . 2 . ]" 1
712 1 80 VAL HA 1 83 VAL HB 3.400 . 5.000 2.959 2.085 4.566 . 0 0 "[ . 1 . 2 . ]" 1
713 1 80 VAL HA 1 83 VAL QG 3.800 . 5.800 2.810 1.854 3.547 . 0 0 "[ . 1 . 2 . ]" 1
714 1 80 VAL HA 1 84 ARG H 3.400 . 5.000 4.469 3.823 5.019 0.019 24 0 "[ . 1 . 2 . ]" 1
715 1 80 VAL HB 1 81 MET H 3.400 . 5.000 3.709 1.980 4.374 . 0 0 "[ . 1 . 2 . ]" 1
716 1 80 VAL HB 1 83 VAL QG 4.600 . 7.400 4.721 3.733 5.399 . 0 0 "[ . 1 . 2 . ]" 1
717 1 80 VAL QG 1 81 MET ME 5.100 . 8.400 4.708 3.915 5.188 . 0 0 "[ . 1 . 2 . ]" 1
718 1 81 MET HA 1 81 MET ME 3.900 . 6.000 4.266 3.967 4.753 . 0 0 "[ . 1 . 2 . ]" 1
719 1 81 MET HA 1 84 ARG H 3.400 . 5.000 3.692 3.136 4.430 . 0 0 "[ . 1 . 2 . ]" 1
720 1 81 MET QB 1 82 MET H 3.900 . 6.000 2.749 1.974 3.569 . 0 0 "[ . 1 . 2 . ]" 1
721 1 81 MET ME 1 82 MET QB 4.400 . 7.000 4.653 3.825 5.089 . 0 0 "[ . 1 . 2 . ]" 1
722 1 81 MET ME 1 82 MET QG 4.400 . 7.000 4.255 2.654 5.027 . 0 0 "[ . 1 . 2 . ]" 1
723 1 81 MET QG 1 82 MET HA 3.900 . 6.000 4.088 3.147 5.405 . 0 0 "[ . 1 . 2 . ]" 1
724 1 82 MET H 1 82 MET QB 3.360 . 4.920 2.265 2.061 2.729 . 0 0 "[ . 1 . 2 . ]" 1
725 1 82 MET H 1 82 MET QG 3.900 . 6.000 3.134 1.912 3.956 . 0 0 "[ . 1 . 2 . ]" 1
726 1 82 MET H 1 83 VAL H 3.400 . 5.000 2.567 2.271 3.186 . 0 0 "[ . 1 . 2 . ]" 1
727 1 82 MET HA 1 82 MET QG 3.360 . 4.920 2.308 1.899 3.342 . 0 0 "[ . 1 . 2 . ]" 1
728 1 82 MET HA 1 83 VAL H 3.400 . 5.000 3.511 3.302 3.589 . 0 0 "[ . 1 . 2 . ]" 1
729 1 82 MET HA 1 83 VAL QG 4.600 . 7.400 4.750 4.483 4.905 . 0 0 "[ . 1 . 2 . ]" 1
730 1 82 MET QB 1 83 VAL H 3.900 . 6.000 2.883 2.253 3.871 . 0 0 "[ . 1 . 2 . ]" 1
731 1 82 MET QB 1 83 VAL QG 5.100 . 8.400 3.392 2.904 4.386 . 0 0 "[ . 1 . 2 . ]" 1
732 1 82 MET QG 1 83 VAL H 3.900 . 6.000 4.021 2.052 4.745 . 0 0 "[ . 1 . 2 . ]" 1
733 1 83 VAL H 1 83 VAL HB 3.400 . 5.000 2.498 2.364 2.708 . 0 0 "[ . 1 . 2 . ]" 1
734 1 83 VAL H 1 83 VAL QG 3.800 . 5.800 2.310 1.890 2.575 . 0 0 "[ . 1 . 2 . ]" 1
735 1 83 VAL H 1 84 ARG H 3.400 . 5.000 2.616 2.368 3.036 . 0 0 "[ . 1 . 2 . ]" 1
736 1 83 VAL HA 1 84 ARG H 3.400 . 5.000 3.480 3.110 3.586 . 0 0 "[ . 1 . 2 . ]" 1
737 1 83 VAL HA 1 86 MET QG 3.900 . 6.000 3.226 1.805 5.354 . 0 0 "[ . 1 . 2 . ]" 1
738 1 83 VAL HB 1 84 ARG H 3.400 . 5.000 2.977 2.140 4.152 . 0 0 "[ . 1 . 2 . ]" 1
739 1 83 VAL QG 1 84 ARG H 3.800 . 5.800 3.242 1.939 3.709 . 0 0 "[ . 1 . 2 . ]" 1
740 1 83 VAL QG 1 86 MET QB 5.100 . 8.400 4.645 3.049 5.536 . 0 0 "[ . 1 . 2 . ]" 1
741 1 83 VAL QG 1 86 MET ME 4.310 . 6.820 2.833 1.762 3.696 0.038 17 0 "[ . 1 . 2 . ]" 1
742 1 84 ARG H 1 84 ARG QD 3.900 . 6.000 3.840 2.432 4.690 . 0 0 "[ . 1 . 2 . ]" 1
743 1 84 ARG H 1 84 ARG QG 3.360 . 4.920 3.063 1.873 4.015 . 0 0 "[ . 1 . 2 . ]" 1
744 1 84 ARG H 1 85 GLN H 3.400 . 5.000 3.178 2.491 4.224 . 0 0 "[ . 1 . 2 . ]" 1
745 1 84 ARG QB 1 86 MET H 3.900 . 6.000 4.993 4.505 5.388 . 0 0 "[ . 1 . 2 . ]" 1
746 1 85 GLN HA 1 86 MET QG 3.900 . 6.000 4.703 3.686 5.271 . 0 0 "[ . 1 . 2 . ]" 1
747 1 85 GLN QG 1 87 LYS QG 3.870 . 5.940 4.389 3.719 4.782 . 0 0 "[ . 1 . 2 . ]" 1
748 1 86 MET H 1 86 MET QG 3.900 . 6.000 2.834 1.830 3.545 . 0 0 "[ . 1 . 2 . ]" 1
749 1 86 MET H 1 89 ASP H 3.400 . 5.000 4.902 4.558 5.049 0.049 21 0 "[ . 1 . 2 . ]" 1
750 1 86 MET QB 1 86 MET ME 3.870 . 5.940 3.277 1.793 3.634 0.007 21 0 "[ . 1 . 2 . ]" 1
751 1 86 MET QB 1 87 LYS H 3.900 . 6.000 3.015 1.884 3.788 . 0 0 "[ . 1 . 2 . ]" 1
752 1 87 LYS H 1 87 LYS QB 3.360 . 4.920 2.379 2.082 2.748 . 0 0 "[ . 1 . 2 . ]" 1
753 1 87 LYS H 1 87 LYS QG 3.360 . 4.920 2.580 1.818 4.038 . 0 0 "[ . 1 . 2 . ]" 1
754 1 87 LYS H 1 88 GLU H 3.400 . 5.000 2.562 2.370 2.851 . 0 0 "[ . 1 . 2 . ]" 1
755 1 87 LYS HA 1 87 LYS QG 3.360 . 4.920 2.501 1.930 3.356 . 0 0 "[ . 1 . 2 . ]" 1
756 1 87 LYS HA 1 89 ASP HA 3.400 . 5.000 4.993 4.691 5.077 0.077 4 0 "[ . 1 . 2 . ]" 1
757 1 87 LYS QB 1 88 GLU H 3.360 . 4.920 3.054 2.245 3.556 . 0 0 "[ . 1 . 2 . ]" 1
758 1 88 GLU H 1 88 GLU QB 3.360 . 4.920 2.347 2.090 2.697 . 0 0 "[ . 1 . 2 . ]" 1
759 1 88 GLU H 1 88 GLU QG 3.360 . 4.920 3.094 1.849 4.070 . 0 0 "[ . 1 . 2 . ]" 1
760 1 88 GLU H 1 89 ASP H 3.400 . 5.000 2.675 2.470 2.983 . 0 0 "[ . 1 . 2 . ]" 1
761 1 88 GLU H 1 90 ALA MB 3.900 . 6.000 4.725 4.373 4.907 . 0 0 "[ . 1 . 2 . ]" 1
762 1 88 GLU HA 1 88 GLU QG 3.360 . 4.920 2.448 2.013 3.394 . 0 0 "[ . 1 . 2 . ]" 1
763 1 88 GLU HA 1 89 ASP H 3.400 . 5.000 3.419 3.235 3.576 . 0 0 "[ . 1 . 2 . ]" 1
764 1 88 GLU QB 1 89 ASP H 3.360 . 4.920 3.122 2.485 3.906 . 0 0 "[ . 1 . 2 . ]" 1
765 1 88 GLU QG 1 89 ASP H 3.360 . 4.920 3.952 2.205 4.472 . 0 0 "[ . 1 . 2 . ]" 1
766 1 89 ASP H 1 89 ASP QB 3.360 . 4.920 3.132 2.918 3.520 . 0 0 "[ . 1 . 2 . ]" 1
767 1 89 ASP H 1 90 ALA H 3.400 . 5.000 2.832 1.982 3.854 . 0 0 "[ . 1 . 2 . ]" 1
768 1 89 ASP H 1 90 ALA MB 3.900 . 6.000 3.885 3.201 4.484 . 0 0 "[ . 1 . 2 . ]" 1
769 1 89 ASP HA 1 90 ALA H 3.400 . 5.000 3.013 2.261 3.589 . 0 0 "[ . 1 . 2 . ]" 1
770 1 89 ASP QB 1 90 ALA H 3.360 . 4.920 3.283 1.849 4.052 . 0 0 "[ . 1 . 2 . ]" 1
771 1 89 ASP QB 1 90 ALA MB 4.400 . 7.000 4.445 3.983 4.975 . 0 0 "[ . 1 . 2 . ]" 1
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