NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
580999 |
2mra   |
25067 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mra
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 1402
_Distance_constraint_stats_list.Viol_count 729
_Distance_constraint_stats_list.Viol_total 1344.959
_Distance_constraint_stats_list.Viol_max 0.418
_Distance_constraint_stats_list.Viol_rms 0.0187
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0922
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 LYS 0.882 0.230 17 0 "[ . 1 . 2]"
1 5 GLU 1.369 0.230 17 0 "[ . 1 . 2]"
1 6 LEU 1.246 0.191 20 0 "[ . 1 . 2]"
1 7 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 VAL 1.000 0.186 2 0 "[ . 1 . 2]"
1 9 GLU 1.018 0.192 18 0 "[ . 1 . 2]"
1 10 ILE 5.015 0.302 6 0 "[ . 1 . 2]"
1 11 LYS 0.993 0.152 12 0 "[ . 1 . 2]"
1 12 ILE 1.117 0.151 15 0 "[ . 1 . 2]"
1 13 ASP 1.588 0.231 7 0 "[ . 1 . 2]"
1 14 CYS 0.465 0.151 15 0 "[ . 1 . 2]"
1 15 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ASN 0.985 0.310 12 0 "[ . 1 . 2]"
1 17 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ASP 0.985 0.310 12 0 "[ . 1 . 2]"
1 19 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 THR 2.521 0.406 16 0 "[ . 1 . 2]"
1 22 THR 3.790 0.406 16 0 "[ . 1 . 2]"
1 23 TYR 0.769 0.170 1 0 "[ . 1 . 2]"
1 24 ASP 1.026 0.186 2 0 "[ . 1 . 2]"
1 25 LEU 1.875 0.202 20 0 "[ . 1 . 2]"
1 26 TYR 3.196 0.215 12 0 "[ . 1 . 2]"
1 27 PHE 3.566 0.321 20 0 "[ . 1 . 2]"
1 28 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LYS 0.373 0.211 10 0 "[ . 1 . 2]"
1 30 ALA 0.943 0.260 16 0 "[ . 1 . 2]"
1 31 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 GLU 1.653 0.321 20 0 "[ . 1 . 2]"
1 33 ALA 1.250 0.260 16 0 "[ . 1 . 2]"
1 34 LYS 1.489 0.324 14 0 "[ . 1 . 2]"
1 35 GLU 3.782 0.320 2 0 "[ . 1 . 2]"
1 36 LEU 3.677 0.215 12 0 "[ . 1 . 2]"
1 37 LEU 3.957 0.277 13 0 "[ . 1 . 2]"
1 38 LYS 0.854 0.320 2 0 "[ . 1 . 2]"
1 39 LYS 0.816 0.204 4 0 "[ . 1 . 2]"
1 40 VAL 0.048 0.044 18 0 "[ . 1 . 2]"
1 41 ALA 0.912 0.118 13 0 "[ . 1 . 2]"
1 42 GLU 0.632 0.208 10 0 "[ . 1 . 2]"
1 43 LYS 0.766 0.208 10 0 "[ . 1 . 2]"
1 44 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ALA 1.979 0.311 8 0 "[ . 1 . 2]"
1 46 ASP 1.536 0.190 13 0 "[ . 1 . 2]"
1 47 LYS 0.495 0.184 9 0 "[ . 1 . 2]"
1 48 ILE 1.516 0.244 15 0 "[ . 1 . 2]"
1 49 LYS 1.240 0.190 13 0 "[ . 1 . 2]"
1 50 LYS 0.257 0.062 8 0 "[ . 1 . 2]"
1 51 GLN 0.076 0.076 3 0 "[ . 1 . 2]"
1 52 GLY 0.058 0.031 3 0 "[ . 1 . 2]"
1 53 CYS 0.309 0.129 11 0 "[ . 1 . 2]"
1 54 LYS 1.116 0.226 3 0 "[ . 1 . 2]"
1 55 ARG 0.187 0.093 10 0 "[ . 1 . 2]"
1 56 VAL 3.931 0.245 1 0 "[ . 1 . 2]"
1 57 LYS 1.206 0.162 16 0 "[ . 1 . 2]"
1 58 ILE 0.593 0.177 14 0 "[ . 1 . 2]"
1 59 ARG 1.345 0.199 2 0 "[ . 1 . 2]"
1 60 PHE 7.345 0.302 6 0 "[ . 1 . 2]"
1 61 GLU 0.059 0.041 12 0 "[ . 1 . 2]"
1 62 LYS 3.189 0.418 11 0 "[ . 1 . 2]"
1 63 LYS 1.243 0.418 11 0 "[ . 1 . 2]"
1 65 LEU 2.961 0.300 18 0 "[ . 1 . 2]"
1 66 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ASP 0.064 0.064 14 0 "[ . 1 . 2]"
1 68 ASP 0.795 0.230 9 0 "[ . 1 . 2]"
1 69 ALA 1.882 0.218 1 0 "[ . 1 . 2]"
1 70 ARG 0.044 0.044 7 0 "[ . 1 . 2]"
1 71 LYS 1.071 0.194 5 0 "[ . 1 . 2]"
1 72 LYS 0.621 0.194 5 0 "[ . 1 . 2]"
1 73 ALA 0.490 0.150 16 0 "[ . 1 . 2]"
1 74 LYS 2.756 0.229 11 0 "[ . 1 . 2]"
1 75 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 TRP 3.161 0.324 14 0 "[ . 1 . 2]"
1 77 ALA 0.306 0.078 19 0 "[ . 1 . 2]"
1 78 LEU 0.886 0.080 18 0 "[ . 1 . 2]"
1 79 GLU 0.243 0.092 14 0 "[ . 1 . 2]"
1 80 VAL 1.142 0.080 18 0 "[ . 1 . 2]"
1 81 ALA 0.364 0.242 17 0 "[ . 1 . 2]"
1 82 ASN 1.068 0.242 17 0 "[ . 1 . 2]"
1 83 LYS 0.198 0.097 19 0 "[ . 1 . 2]"
1 84 ILE 1.891 0.311 8 0 "[ . 1 . 2]"
1 85 ALA 0.660 0.114 11 0 "[ . 1 . 2]"
1 86 ASN 1.199 0.252 8 0 "[ . 1 . 2]"
1 87 GLU 0.489 0.252 8 0 "[ . 1 . 2]"
1 88 LEU 2.529 0.244 15 0 "[ . 1 . 2]"
1 89 GLY 0.508 0.179 4 0 "[ . 1 . 2]"
1 90 ALA 0.790 0.161 2 0 "[ . 1 . 2]"
1 91 LYS 1.094 0.245 1 0 "[ . 1 . 2]"
1 92 GLN 0.988 0.169 10 0 "[ . 1 . 2]"
1 93 SER 0.578 0.144 15 0 "[ . 1 . 2]"
1 94 THR 0.172 0.115 11 0 "[ . 1 . 2]"
1 95 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 THR 0.304 0.153 2 0 "[ . 1 . 2]"
1 98 ASP 0.941 0.299 7 0 "[ . 1 . 2]"
1 100 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 THR 0.273 0.070 14 0 "[ . 1 . 2]"
1 102 PHE 1.261 0.299 7 0 "[ . 1 . 2]"
1 103 GLU 0.318 0.153 2 0 "[ . 1 . 2]"
1 104 VAL 2.417 0.339 14 0 "[ . 1 . 2]"
1 105 GLU 1.952 0.339 14 0 "[ . 1 . 2]"
1 106 VAL 0.922 0.162 16 0 "[ . 1 . 2]"
1 107 ILE 0.732 0.144 15 0 "[ . 1 . 2]"
1 108 LEU 3.963 0.245 1 0 "[ . 1 . 2]"
1 109 GLU 4.131 0.337 3 0 "[ . 1 . 2]"
1 110 LEU 5.474 0.337 3 0 "[ . 1 . 2]"
1 111 GLU 0.400 0.108 10 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 LYS HB2 1 5 GLU H 6.300 . 6.300 3.937 2.060 4.634 . 0 0 "[ . 1 . 2]" 1
2 1 4 LYS HB3 1 5 GLU H 6.300 . 6.300 3.687 2.040 4.591 . 0 0 "[ . 1 . 2]" 1
3 1 4 LYS QD 1 5 GLU H 6.300 . 6.300 4.479 2.341 5.842 . 0 0 "[ . 1 . 2]" 1
4 1 4 LYS QG 1 5 GLU H 6.300 . 6.300 3.065 1.548 4.614 . 0 0 "[ . 1 . 2]" 1
5 1 4 LYS QG 1 5 GLU QB 4.630 . 4.630 4.146 2.678 4.860 0.230 17 0 "[ . 1 . 2]" 1
6 1 5 GLU HA 1 6 LEU MD2 6.300 . 6.300 5.368 2.927 6.490 0.190 16 0 "[ . 1 . 2]" 1
7 1 5 GLU QB 1 6 LEU HA 6.100 . 6.100 4.569 4.074 4.986 . 0 0 "[ . 1 . 2]" 1
8 1 5 GLU QG 1 6 LEU H 6.070 . 6.070 4.021 2.925 4.820 . 0 0 "[ . 1 . 2]" 1
9 1 6 LEU H 1 6 LEU HG 5.690 . 5.690 3.505 2.299 4.166 . 0 0 "[ . 1 . 2]" 1
10 1 6 LEU H 1 7 ARG H 5.450 . 5.450 4.208 3.846 4.484 . 0 0 "[ . 1 . 2]" 1
11 1 6 LEU H 1 26 TYR HB2 6.300 . 6.300 5.633 4.516 6.422 0.122 12 0 "[ . 1 . 2]" 1
12 1 6 LEU H 1 26 TYR QD 6.300 . 6.300 3.268 2.044 4.716 . 0 0 "[ . 1 . 2]" 1
13 1 6 LEU H 1 26 TYR QE 6.300 . 6.300 4.791 2.788 6.329 0.029 10 0 "[ . 1 . 2]" 1
14 1 6 LEU H 1 27 PHE H 5.870 . 5.870 4.380 2.716 5.361 . 0 0 "[ . 1 . 2]" 1
15 1 6 LEU HB2 1 7 ARG H 6.090 . 6.090 4.474 4.327 4.589 . 0 0 "[ . 1 . 2]" 1
16 1 6 LEU HB2 1 26 TYR HB2 6.300 . 6.300 5.791 5.048 6.444 0.144 8 0 "[ . 1 . 2]" 1
17 1 6 LEU HB2 1 27 PHE QB 6.100 . 6.100 3.213 1.878 4.756 . 0 0 "[ . 1 . 2]" 1
18 1 6 LEU HB3 1 7 ARG H 6.300 . 6.300 3.849 3.465 4.025 . 0 0 "[ . 1 . 2]" 1
19 1 6 LEU HB3 1 27 PHE H 6.300 . 6.300 3.711 2.929 4.440 . 0 0 "[ . 1 . 2]" 1
20 1 6 LEU MD1 1 7 ARG H 6.300 . 6.300 4.872 3.792 5.611 . 0 0 "[ . 1 . 2]" 1
21 1 6 LEU MD1 1 27 PHE QB 6.100 . 6.100 3.650 1.791 4.938 . 0 0 "[ . 1 . 2]" 1
22 1 6 LEU MD1 1 27 PHE QD 6.300 . 6.300 3.849 2.303 5.228 . 0 0 "[ . 1 . 2]" 1
23 1 6 LEU MD1 1 65 LEU HA 6.300 . 6.300 4.199 2.548 5.785 . 0 0 "[ . 1 . 2]" 1
24 1 6 LEU MD2 1 27 PHE H 6.300 . 6.300 4.228 3.039 5.970 . 0 0 "[ . 1 . 2]" 1
25 1 6 LEU MD2 1 27 PHE QD 6.300 . 6.300 2.969 1.854 5.475 . 0 0 "[ . 1 . 2]" 1
26 1 6 LEU MD2 1 65 LEU HA 6.300 . 6.300 4.185 2.187 6.320 0.020 17 0 "[ . 1 . 2]" 1
27 1 6 LEU MD2 1 65 LEU QB 6.100 . 6.100 2.796 1.724 4.144 . 0 0 "[ . 1 . 2]" 1
28 1 6 LEU MD2 1 66 ASP H 6.300 . 6.300 4.756 3.759 6.010 . 0 0 "[ . 1 . 2]" 1
29 1 6 LEU MD2 1 69 ALA H 6.300 . 6.300 5.595 4.658 6.491 0.191 20 0 "[ . 1 . 2]" 1
30 1 6 LEU MD2 1 69 ALA HA 6.300 . 6.300 4.595 3.136 6.178 . 0 0 "[ . 1 . 2]" 1
31 1 6 LEU MD2 1 69 ALA MB 5.190 . 5.190 2.601 1.759 3.636 . 0 0 "[ . 1 . 2]" 1
32 1 7 ARG H 1 7 ARG HG2 5.290 . 5.290 3.785 2.161 4.540 . 0 0 "[ . 1 . 2]" 1
33 1 7 ARG H 1 7 ARG HG3 5.290 . 5.290 3.373 2.326 4.649 . 0 0 "[ . 1 . 2]" 1
34 1 7 ARG H 1 8 VAL H 6.240 . 6.240 4.426 4.281 4.565 . 0 0 "[ . 1 . 2]" 1
35 1 7 ARG H 1 26 TYR QE 6.300 . 6.300 4.682 3.903 5.225 . 0 0 "[ . 1 . 2]" 1
36 1 7 ARG QB 1 8 VAL HA 6.100 . 6.100 4.443 4.191 4.837 . 0 0 "[ . 1 . 2]" 1
37 1 7 ARG QB 1 9 GLU H 6.100 . 6.100 5.190 4.589 5.815 . 0 0 "[ . 1 . 2]" 1
38 1 7 ARG QD 1 8 VAL H 6.300 . 6.300 5.127 2.355 5.830 . 0 0 "[ . 1 . 2]" 1
39 1 7 ARG QD 1 26 TYR QE 5.600 . 5.600 3.991 2.080 5.563 . 0 0 "[ . 1 . 2]" 1
40 1 7 ARG QG 1 8 VAL H 6.100 . 6.100 3.950 2.827 4.526 . 0 0 "[ . 1 . 2]" 1
41 1 7 ARG QG 1 26 TYR QD 5.390 . 5.390 4.307 2.902 5.290 . 0 0 "[ . 1 . 2]" 1
42 1 7 ARG QG 1 26 TYR QE 4.950 . 4.950 2.971 1.637 4.436 . 0 0 "[ . 1 . 2]" 1
43 1 8 VAL H 1 10 ILE H 6.300 . 6.300 6.041 5.691 6.387 0.087 17 0 "[ . 1 . 2]" 1
44 1 8 VAL H 1 26 TYR HA 6.300 . 6.300 4.023 2.337 5.872 . 0 0 "[ . 1 . 2]" 1
45 1 8 VAL H 1 26 TYR QD 6.300 . 6.300 4.378 3.271 5.895 . 0 0 "[ . 1 . 2]" 1
46 1 8 VAL HA 1 9 GLU HA 6.300 . 6.300 4.480 4.450 4.508 . 0 0 "[ . 1 . 2]" 1
47 1 8 VAL HA 1 9 GLU QB 6.300 . 6.300 4.370 4.126 4.527 . 0 0 "[ . 1 . 2]" 1
48 1 8 VAL HB 1 9 GLU H 6.300 . 6.300 3.728 3.003 4.266 . 0 0 "[ . 1 . 2]" 1
49 1 8 VAL HB 1 10 ILE H 6.300 . 6.300 4.627 3.771 6.089 . 0 0 "[ . 1 . 2]" 1
50 1 8 VAL HB 1 10 ILE MD 6.220 . 6.220 3.545 2.264 4.741 . 0 0 "[ . 1 . 2]" 1
51 1 8 VAL HB 1 25 LEU H 6.300 . 6.300 3.881 1.929 5.728 . 0 0 "[ . 1 . 2]" 1
52 1 8 VAL HB 1 25 LEU MD1 6.300 . 6.300 3.645 2.266 5.698 . 0 0 "[ . 1 . 2]" 1
53 1 8 VAL HB 1 25 LEU MD2 6.300 . 6.300 3.838 2.345 6.269 . 0 0 "[ . 1 . 2]" 1
54 1 8 VAL MG1 1 9 GLU H 5.250 . 5.250 3.584 2.727 4.356 . 0 0 "[ . 1 . 2]" 1
55 1 8 VAL MG1 1 9 GLU HA 6.300 . 6.300 4.775 3.758 5.665 . 0 0 "[ . 1 . 2]" 1
56 1 8 VAL MG1 1 9 GLU QB 6.020 . 6.020 5.225 4.469 6.019 . 0 0 "[ . 1 . 2]" 1
57 1 8 VAL MG1 1 10 ILE QG 5.880 . 5.880 3.179 2.128 4.411 . 0 0 "[ . 1 . 2]" 1
58 1 8 VAL MG1 1 24 ASP HA 6.300 . 6.300 4.940 3.053 6.024 . 0 0 "[ . 1 . 2]" 1
59 1 8 VAL MG1 1 25 LEU H 6.300 . 6.300 3.915 1.861 4.610 . 0 0 "[ . 1 . 2]" 1
60 1 8 VAL MG1 1 25 LEU MD1 6.300 . 6.300 2.680 1.867 4.838 . 0 0 "[ . 1 . 2]" 1
61 1 8 VAL MG1 1 25 LEU MD2 6.300 . 6.300 3.466 2.549 4.465 . 0 0 "[ . 1 . 2]" 1
62 1 8 VAL MG1 1 26 TYR H 6.300 . 6.300 4.896 1.854 6.450 0.150 10 0 "[ . 1 . 2]" 1
63 1 8 VAL MG1 1 60 PHE HB2 6.300 . 6.300 3.103 2.218 4.853 . 0 0 "[ . 1 . 2]" 1
64 1 8 VAL MG1 1 60 PHE HB3 6.300 . 6.300 4.485 3.772 6.184 . 0 0 "[ . 1 . 2]" 1
65 1 8 VAL MG1 1 60 PHE QD 6.300 . 6.300 2.270 1.654 3.328 . 0 0 "[ . 1 . 2]" 1
66 1 8 VAL MG2 1 9 GLU H 5.220 . 5.220 4.005 2.864 4.494 . 0 0 "[ . 1 . 2]" 1
67 1 8 VAL MG2 1 10 ILE H 6.300 . 6.300 4.483 2.780 6.154 . 0 0 "[ . 1 . 2]" 1
68 1 8 VAL MG2 1 10 ILE MD 5.550 . 5.550 3.629 2.323 4.505 . 0 0 "[ . 1 . 2]" 1
69 1 8 VAL MG2 1 10 ILE QG 5.490 . 5.490 3.414 1.952 4.920 . 0 0 "[ . 1 . 2]" 1
70 1 8 VAL MG2 1 24 ASP QB 6.100 . 6.100 5.205 3.702 6.286 0.186 2 0 "[ . 1 . 2]" 1
71 1 8 VAL MG2 1 25 LEU H 5.320 . 5.320 3.043 1.657 4.255 . 0 0 "[ . 1 . 2]" 1
72 1 8 VAL MG2 1 25 LEU HA 6.300 . 6.300 4.591 4.060 5.570 . 0 0 "[ . 1 . 2]" 1
73 1 8 VAL MG2 1 25 LEU MD2 5.700 . 5.700 3.373 2.193 4.595 . 0 0 "[ . 1 . 2]" 1
74 1 8 VAL MG2 1 25 LEU HG 6.050 . 6.050 2.455 1.568 3.780 . 0 0 "[ . 1 . 2]" 1
75 1 8 VAL MG2 1 26 TYR H 6.300 . 6.300 3.996 1.704 5.144 . 0 0 "[ . 1 . 2]" 1
76 1 8 VAL MG2 1 26 TYR QD 6.060 . 6.060 4.556 2.702 5.954 . 0 0 "[ . 1 . 2]" 1
77 1 8 VAL MG2 1 26 TYR QE 6.300 . 6.300 5.342 3.906 6.376 0.076 6 0 "[ . 1 . 2]" 1
78 1 8 VAL MG2 1 27 PHE H 6.300 . 6.300 3.980 1.966 6.285 . 0 0 "[ . 1 . 2]" 1
79 1 8 VAL MG2 1 60 PHE HB2 6.300 . 6.300 4.400 2.497 5.485 . 0 0 "[ . 1 . 2]" 1
80 1 8 VAL MG2 1 60 PHE QD 4.750 . 4.750 3.026 1.616 4.543 . 0 0 "[ . 1 . 2]" 1
81 1 8 VAL MG2 1 76 TRP HH2 6.300 . 6.300 4.091 2.882 5.320 . 0 0 "[ . 1 . 2]" 1
82 1 9 GLU H 1 10 ILE H 5.430 . 5.430 4.002 3.878 4.132 . 0 0 "[ . 1 . 2]" 1
83 1 9 GLU H 1 22 THR MG 6.300 . 6.300 5.384 4.216 6.413 0.113 1 0 "[ . 1 . 2]" 1
84 1 9 GLU H 1 59 ARG O 2.520 . 2.520 2.132 1.982 2.509 . 0 0 "[ . 1 . 2]" 1
85 1 9 GLU QB 1 10 ILE H 6.300 . 6.300 3.833 3.669 4.080 . 0 0 "[ . 1 . 2]" 1
86 1 9 GLU QB 1 10 ILE HA 6.090 . 6.090 4.565 4.361 4.844 . 0 0 "[ . 1 . 2]" 1
87 1 9 GLU QB 1 11 LYS H 5.850 . 5.850 4.958 4.599 5.557 . 0 0 "[ . 1 . 2]" 1
88 1 9 GLU QB 1 22 THR MG 4.410 . 4.410 3.000 2.047 4.178 . 0 0 "[ . 1 . 2]" 1
89 1 9 GLU QG 1 22 THR HA 6.100 . 6.100 5.351 3.225 6.210 0.110 17 0 "[ . 1 . 2]" 1
90 1 9 GLU QG 1 22 THR MG 4.820 . 4.820 2.929 1.951 4.329 . 0 0 "[ . 1 . 2]" 1
91 1 9 GLU HG2 1 10 ILE H 6.300 . 6.300 4.660 3.779 5.952 . 0 0 "[ . 1 . 2]" 1
92 1 9 GLU HG2 1 22 THR HB 6.300 . 6.300 4.672 3.033 6.331 0.031 14 0 "[ . 1 . 2]" 1
93 1 9 GLU HG3 1 10 ILE H 6.300 . 6.300 4.829 3.904 5.296 . 0 0 "[ . 1 . 2]" 1
94 1 9 GLU HG3 1 22 THR HB 6.300 . 6.300 5.168 2.229 6.492 0.192 18 0 "[ . 1 . 2]" 1
95 1 9 GLU N 1 59 ARG O 3.360 . 3.360 2.954 2.860 3.204 . 0 0 "[ . 1 . 2]" 1
96 1 10 ILE H 1 22 THR MG 5.570 . 5.570 3.644 1.834 4.969 . 0 0 "[ . 1 . 2]" 1
97 1 10 ILE H 1 25 LEU H 6.300 . 6.300 5.137 4.135 6.362 0.062 13 0 "[ . 1 . 2]" 1
98 1 10 ILE HA 1 60 PHE HB2 6.300 . 6.300 6.469 6.303 6.602 0.302 6 0 "[ . 1 . 2]" 1
99 1 10 ILE HB 1 23 TYR H 6.030 . 6.030 2.820 2.081 3.700 . 0 0 "[ . 1 . 2]" 1
100 1 10 ILE HB 1 23 TYR HB2 6.300 . 6.300 2.320 1.629 5.406 . 0 0 "[ . 1 . 2]" 1
101 1 10 ILE HB 1 23 TYR HB3 6.300 . 6.300 3.946 3.285 5.787 . 0 0 "[ . 1 . 2]" 1
102 1 10 ILE HB 1 23 TYR QD 5.430 . 5.430 2.671 1.791 3.568 . 0 0 "[ . 1 . 2]" 1
103 1 10 ILE HB 1 23 TYR QE 6.300 . 6.300 4.664 2.988 5.343 . 0 0 "[ . 1 . 2]" 1
104 1 10 ILE HB 1 25 LEU MD1 6.300 . 6.300 5.133 3.893 6.502 0.202 20 0 "[ . 1 . 2]" 1
105 1 10 ILE HB 1 25 LEU MD2 6.300 . 6.300 3.677 2.792 4.715 . 0 0 "[ . 1 . 2]" 1
106 1 10 ILE HB 1 59 ARG H 6.300 . 6.300 5.849 5.334 6.441 0.141 13 0 "[ . 1 . 2]" 1
107 1 10 ILE MD 1 11 LYS H 6.150 . 6.150 3.985 3.803 4.237 . 0 0 "[ . 1 . 2]" 1
108 1 10 ILE MD 1 25 LEU MD1 6.260 . 6.260 3.409 2.553 4.250 . 0 0 "[ . 1 . 2]" 1
109 1 10 ILE MD 1 25 LEU MD2 6.300 . 6.300 3.439 2.612 4.577 . 0 0 "[ . 1 . 2]" 1
110 1 10 ILE MD 1 58 ILE HA 6.300 . 6.300 2.699 2.082 3.533 . 0 0 "[ . 1 . 2]" 1
111 1 10 ILE MD 1 58 ILE MD 4.870 . 4.870 3.145 2.316 3.753 . 0 0 "[ . 1 . 2]" 1
112 1 10 ILE MD 1 58 ILE MG 5.460 . 5.460 1.948 1.749 2.092 . 0 0 "[ . 1 . 2]" 1
113 1 10 ILE MD 1 60 PHE HB2 5.950 . 5.950 4.181 3.724 4.590 . 0 0 "[ . 1 . 2]" 1
114 1 10 ILE MD 1 60 PHE HB3 6.300 . 6.300 5.452 5.020 5.856 . 0 0 "[ . 1 . 2]" 1
115 1 10 ILE MD 1 60 PHE QD 5.220 . 5.220 4.852 3.946 5.310 0.090 12 0 "[ . 1 . 2]" 1
116 1 10 ILE MD 1 76 TRP HE3 6.300 . 6.300 4.527 3.924 5.193 . 0 0 "[ . 1 . 2]" 1
117 1 10 ILE MD 1 76 TRP HH2 6.110 . 6.110 2.453 1.889 3.081 . 0 0 "[ . 1 . 2]" 1
118 1 10 ILE MD 1 76 TRP HZ3 6.020 . 6.020 2.532 1.902 3.599 . 0 0 "[ . 1 . 2]" 1
119 1 10 ILE MD 1 77 ALA HA 6.300 . 6.300 4.808 4.395 5.505 . 0 0 "[ . 1 . 2]" 1
120 1 10 ILE MD 1 80 VAL MG2 6.300 . 6.300 4.044 3.241 5.163 . 0 0 "[ . 1 . 2]" 1
121 1 10 ILE QG 1 25 LEU QB 5.440 . 5.440 4.618 3.954 5.125 . 0 0 "[ . 1 . 2]" 1
122 1 10 ILE QG 1 25 LEU MD2 6.100 . 6.100 2.326 1.611 3.342 . 0 0 "[ . 1 . 2]" 1
123 1 10 ILE QG 1 60 PHE HB2 6.100 . 6.100 5.774 5.447 6.097 . 0 0 "[ . 1 . 2]" 1
124 1 10 ILE QG 1 60 PHE QD 6.100 . 6.100 5.888 5.387 6.221 0.121 16 0 "[ . 1 . 2]" 1
125 1 10 ILE QG 1 76 TRP HH2 6.100 . 6.100 2.929 2.308 3.617 . 0 0 "[ . 1 . 2]" 1
126 1 10 ILE QG 1 76 TRP HZ2 6.100 . 6.100 4.600 4.053 5.155 . 0 0 "[ . 1 . 2]" 1
127 1 10 ILE HG12 1 11 LYS H 6.300 . 6.300 5.244 5.126 5.368 . 0 0 "[ . 1 . 2]" 1
128 1 10 ILE HG13 1 11 LYS H 6.300 . 6.300 5.701 5.542 5.865 . 0 0 "[ . 1 . 2]" 1
129 1 10 ILE MG 1 11 LYS H 5.130 . 5.130 3.011 2.705 3.284 . 0 0 "[ . 1 . 2]" 1
130 1 10 ILE MG 1 12 ILE HB 6.300 . 6.300 5.281 4.250 6.057 . 0 0 "[ . 1 . 2]" 1
131 1 10 ILE MG 1 12 ILE MD 4.790 . 4.790 2.597 2.205 3.458 . 0 0 "[ . 1 . 2]" 1
132 1 10 ILE MG 1 12 ILE QG 5.670 . 5.670 3.108 2.079 3.858 . 0 0 "[ . 1 . 2]" 1
133 1 10 ILE MG 1 12 ILE MG 5.600 . 5.600 5.008 4.383 5.743 0.143 15 0 "[ . 1 . 2]" 1
134 1 10 ILE MG 1 23 TYR QB 6.100 . 6.100 3.500 2.886 5.600 . 0 0 "[ . 1 . 2]" 1
135 1 10 ILE MG 1 23 TYR QD 5.330 . 5.330 2.947 2.360 4.308 . 0 0 "[ . 1 . 2]" 1
136 1 10 ILE MG 1 23 TYR QE 6.180 . 6.180 3.875 2.803 4.985 . 0 0 "[ . 1 . 2]" 1
137 1 10 ILE MG 1 25 LEU MD1 6.300 . 6.300 4.821 3.653 6.014 . 0 0 "[ . 1 . 2]" 1
138 1 10 ILE MG 1 25 LEU MD2 6.300 . 6.300 4.022 3.248 4.650 . 0 0 "[ . 1 . 2]" 1
139 1 10 ILE MG 1 40 VAL HA 6.300 . 6.300 4.345 3.531 5.189 . 0 0 "[ . 1 . 2]" 1
140 1 10 ILE MG 1 40 VAL MG2 6.060 . 6.060 3.072 2.225 4.076 . 0 0 "[ . 1 . 2]" 1
141 1 10 ILE MG 1 58 ILE HA 6.300 . 6.300 3.242 2.433 4.039 . 0 0 "[ . 1 . 2]" 1
142 1 10 ILE MG 1 58 ILE MD 4.420 . 4.420 3.600 1.872 4.191 . 0 0 "[ . 1 . 2]" 1
143 1 10 ILE MG 1 59 ARG H 6.300 . 6.300 4.557 3.846 5.349 . 0 0 "[ . 1 . 2]" 1
144 1 10 ILE MG 1 76 TRP HH2 6.300 . 6.300 4.381 3.486 5.579 . 0 0 "[ . 1 . 2]" 1
145 1 11 LYS H 1 12 ILE H 5.690 . 5.690 4.319 4.128 4.471 . 0 0 "[ . 1 . 2]" 1
146 1 11 LYS H 1 12 ILE MD 6.300 . 6.300 4.361 3.602 4.802 . 0 0 "[ . 1 . 2]" 1
147 1 11 LYS H 1 56 VAL MG1 6.300 . 6.300 4.286 3.700 5.052 . 0 0 "[ . 1 . 2]" 1
148 1 11 LYS H 1 57 LYS H 6.300 . 6.300 3.878 3.466 4.198 . 0 0 "[ . 1 . 2]" 1
149 1 11 LYS H 1 58 ILE HA 5.550 . 5.550 3.146 2.695 3.634 . 0 0 "[ . 1 . 2]" 1
150 1 11 LYS H 1 58 ILE MD 6.300 . 6.300 5.737 4.297 6.380 0.080 16 0 "[ . 1 . 2]" 1
151 1 11 LYS H 1 59 ARG H 4.990 . 4.990 3.695 3.163 4.341 . 0 0 "[ . 1 . 2]" 1
152 1 11 LYS HA 1 12 ILE HB 6.300 . 6.300 4.734 4.585 4.875 . 0 0 "[ . 1 . 2]" 1
153 1 11 LYS HA 1 22 THR MG 6.300 . 6.300 2.999 2.102 4.879 . 0 0 "[ . 1 . 2]" 1
154 1 11 LYS HA 1 56 VAL MG1 6.300 . 6.300 5.448 5.015 5.980 . 0 0 "[ . 1 . 2]" 1
155 1 11 LYS QB 1 12 ILE HA 6.100 . 6.100 4.517 4.167 4.861 . 0 0 "[ . 1 . 2]" 1
156 1 11 LYS QB 1 22 THR MG 5.620 . 5.620 3.370 2.273 5.025 . 0 0 "[ . 1 . 2]" 1
157 1 11 LYS QD 1 21 THR H 5.030 . 5.030 4.081 2.808 5.172 0.142 1 0 "[ . 1 . 2]" 1
158 1 11 LYS QE 1 21 THR MG 6.300 . 6.300 5.672 4.028 6.452 0.152 12 0 "[ . 1 . 2]" 1
159 1 11 LYS QG 1 12 ILE H 6.200 . 6.200 3.923 2.720 4.965 . 0 0 "[ . 1 . 2]" 1
160 1 11 LYS QG 1 12 ILE HA 6.300 . 6.300 5.529 4.383 6.142 . 0 0 "[ . 1 . 2]" 1
161 1 11 LYS QG 1 21 THR H 6.300 . 6.300 4.784 2.605 6.324 0.024 1 0 "[ . 1 . 2]" 1
162 1 11 LYS QG 1 22 THR HA 6.300 . 6.300 4.101 3.083 5.151 . 0 0 "[ . 1 . 2]" 1
163 1 11 LYS QG 1 22 THR MG 4.350 . 4.350 2.843 2.141 4.498 0.148 3 0 "[ . 1 . 2]" 1
164 1 12 ILE H 1 13 ASP H 5.640 . 5.640 4.352 4.206 4.500 . 0 0 "[ . 1 . 2]" 1
165 1 12 ILE H 1 21 THR H 6.030 . 6.030 3.829 2.725 5.207 . 0 0 "[ . 1 . 2]" 1
166 1 12 ILE H 1 21 THR HB 6.300 . 6.300 3.959 2.739 5.977 . 0 0 "[ . 1 . 2]" 1
167 1 12 ILE H 1 21 THR MG 6.300 . 6.300 4.110 2.434 5.457 . 0 0 "[ . 1 . 2]" 1
168 1 12 ILE H 1 22 THR MG 6.300 . 6.300 4.587 3.780 6.359 0.059 3 0 "[ . 1 . 2]" 1
169 1 12 ILE H 1 23 TYR QE 6.300 . 6.300 4.314 3.149 5.515 . 0 0 "[ . 1 . 2]" 1
170 1 12 ILE H 1 57 LYS H 6.010 . 6.010 5.038 4.778 5.469 . 0 0 "[ . 1 . 2]" 1
171 1 12 ILE HA 1 56 VAL MG2 6.300 . 6.300 3.372 2.638 4.187 . 0 0 "[ . 1 . 2]" 1
172 1 12 ILE HB 1 13 ASP H 6.300 . 6.300 4.277 4.013 4.419 . 0 0 "[ . 1 . 2]" 1
173 1 12 ILE HB 1 21 THR HB 6.300 . 6.300 3.367 1.717 5.145 . 0 0 "[ . 1 . 2]" 1
174 1 12 ILE HB 1 21 THR MG 6.300 . 6.300 3.358 1.868 4.547 . 0 0 "[ . 1 . 2]" 1
175 1 12 ILE HB 1 23 TYR QE 6.200 . 6.200 3.774 2.520 5.428 . 0 0 "[ . 1 . 2]" 1
176 1 12 ILE MD 1 13 ASP H 6.300 . 6.300 3.936 3.686 4.153 . 0 0 "[ . 1 . 2]" 1
177 1 12 ILE MD 1 13 ASP HA 6.300 . 6.300 5.926 5.762 6.013 . 0 0 "[ . 1 . 2]" 1
178 1 12 ILE MD 1 14 CYS QB 6.100 . 6.100 5.687 4.955 6.251 0.151 15 0 "[ . 1 . 2]" 1
179 1 12 ILE MD 1 21 THR HB 6.300 . 6.300 5.483 4.505 6.402 0.102 19 0 "[ . 1 . 2]" 1
180 1 12 ILE MD 1 22 THR HA 6.300 . 6.300 5.620 4.868 6.358 0.058 1 0 "[ . 1 . 2]" 1
181 1 12 ILE MD 1 23 TYR H 6.300 . 6.300 5.717 4.826 6.325 0.025 8 0 "[ . 1 . 2]" 1
182 1 12 ILE MD 1 23 TYR QD 4.730 . 4.730 3.945 2.609 4.733 0.003 3 0 "[ . 1 . 2]" 1
183 1 12 ILE MD 1 23 TYR QE 4.810 . 4.810 3.287 2.104 4.599 . 0 0 "[ . 1 . 2]" 1
184 1 12 ILE MD 1 40 VAL MG2 5.860 . 5.860 5.037 4.366 5.864 0.004 13 0 "[ . 1 . 2]" 1
185 1 12 ILE MD 1 44 ALA H 6.300 . 6.300 4.281 3.627 4.768 . 0 0 "[ . 1 . 2]" 1
186 1 12 ILE MD 1 44 ALA MB 5.260 . 5.260 2.250 1.997 3.080 . 0 0 "[ . 1 . 2]" 1
187 1 12 ILE MD 1 47 LYS QD 6.300 . 6.300 4.904 3.379 6.152 . 0 0 "[ . 1 . 2]" 1
188 1 12 ILE MD 1 56 VAL HA 6.300 . 6.300 3.663 2.979 4.785 . 0 0 "[ . 1 . 2]" 1
189 1 12 ILE MD 1 58 ILE HA 6.300 . 6.300 5.668 4.947 6.365 0.065 16 0 "[ . 1 . 2]" 1
190 1 12 ILE QG 1 13 ASP H 6.050 . 6.050 4.833 4.705 4.964 . 0 0 "[ . 1 . 2]" 1
191 1 12 ILE QG 1 21 THR HB 6.060 . 6.060 4.042 2.939 4.936 . 0 0 "[ . 1 . 2]" 1
192 1 12 ILE QG 1 23 TYR QD 4.960 . 4.960 3.224 2.538 4.563 . 0 0 "[ . 1 . 2]" 1
193 1 12 ILE QG 1 23 TYR QE 4.850 . 4.850 2.214 1.798 3.321 . 0 0 "[ . 1 . 2]" 1
194 1 12 ILE QG 1 40 VAL MG1 6.100 . 6.100 4.394 3.411 5.501 . 0 0 "[ . 1 . 2]" 1
195 1 12 ILE QG 1 56 VAL MG1 5.050 . 5.050 3.959 3.684 4.847 . 0 0 "[ . 1 . 2]" 1
196 1 12 ILE HG12 1 23 TYR QD 5.720 . 5.720 3.355 2.646 4.850 . 0 0 "[ . 1 . 2]" 1
197 1 12 ILE HG13 1 23 TYR QD 5.720 . 5.720 4.231 3.102 5.559 . 0 0 "[ . 1 . 2]" 1
198 1 12 ILE MG 1 13 ASP H 5.410 . 5.410 2.952 2.503 3.243 . 0 0 "[ . 1 . 2]" 1
199 1 12 ILE MG 1 14 CYS HA 6.300 . 6.300 4.210 3.278 4.865 . 0 0 "[ . 1 . 2]" 1
200 1 12 ILE MG 1 14 CYS HB2 6.300 . 6.300 3.556 2.414 4.936 . 0 0 "[ . 1 . 2]" 1
201 1 12 ILE MG 1 14 CYS HB3 6.300 . 6.300 3.591 2.481 4.794 . 0 0 "[ . 1 . 2]" 1
202 1 12 ILE MG 1 21 THR HB 6.300 . 6.300 4.550 3.322 5.756 . 0 0 "[ . 1 . 2]" 1
203 1 12 ILE MG 1 21 THR MG 6.010 . 6.010 4.011 3.028 4.832 . 0 0 "[ . 1 . 2]" 1
204 1 12 ILE MG 1 23 TYR QE 6.300 . 6.300 4.242 3.321 5.242 . 0 0 "[ . 1 . 2]" 1
205 1 12 ILE MG 1 47 LYS HA 6.300 . 6.300 4.721 4.216 5.349 . 0 0 "[ . 1 . 2]" 1
206 1 12 ILE MG 1 47 LYS QD 5.890 . 5.890 3.326 1.909 4.078 . 0 0 "[ . 1 . 2]" 1
207 1 12 ILE MG 1 47 LYS QG 4.800 . 4.800 2.101 1.498 2.845 . 0 0 "[ . 1 . 2]" 1
208 1 12 ILE MG 1 53 CYS QB 6.100 . 6.100 3.004 2.160 3.645 . 0 0 "[ . 1 . 2]" 1
209 1 12 ILE MG 1 56 VAL HA 6.300 . 6.300 4.158 3.352 5.006 . 0 0 "[ . 1 . 2]" 1
210 1 12 ILE MG 1 57 LYS H 6.300 . 6.300 5.238 4.645 5.709 . 0 0 "[ . 1 . 2]" 1
211 1 13 ASP H 1 56 VAL HA 6.300 . 6.300 2.806 2.529 3.125 . 0 0 "[ . 1 . 2]" 1
212 1 13 ASP H 1 57 LYS H 5.820 . 5.820 3.935 3.392 4.363 . 0 0 "[ . 1 . 2]" 1
213 1 13 ASP H 1 57 LYS QB 6.300 . 6.300 5.224 4.601 5.762 . 0 0 "[ . 1 . 2]" 1
214 1 13 ASP HA 1 56 VAL HA 5.580 . 5.580 5.577 5.325 5.811 0.231 7 0 "[ . 1 . 2]" 1
215 1 13 ASP QB 1 56 VAL HA 6.100 . 6.100 3.694 3.024 4.230 . 0 0 "[ . 1 . 2]" 1
216 1 13 ASP QB 1 57 LYS H 6.100 . 6.100 4.441 3.598 5.188 . 0 0 "[ . 1 . 2]" 1
217 1 13 ASP HB2 1 57 LYS QB 6.300 . 6.300 4.903 3.679 6.024 . 0 0 "[ . 1 . 2]" 1
218 1 13 ASP HB2 1 57 LYS QD 6.300 . 6.300 4.045 2.236 5.912 . 0 0 "[ . 1 . 2]" 1
219 1 13 ASP HB3 1 57 LYS QB 6.300 . 6.300 5.793 4.786 6.409 0.109 17 0 "[ . 1 . 2]" 1
220 1 13 ASP HB3 1 57 LYS QD 6.300 . 6.300 4.880 3.050 6.406 0.106 19 0 "[ . 1 . 2]" 1
221 1 15 GLY HA2 1 16 ASN HA 5.840 . 5.840 4.642 4.322 5.264 . 0 0 "[ . 1 . 2]" 1
222 1 15 GLY HA3 1 16 ASN HA 5.840 . 5.840 4.689 4.371 5.251 . 0 0 "[ . 1 . 2]" 1
223 1 16 ASN HA 1 17 ASP HA 4.880 . 4.880 4.584 4.368 4.860 . 0 0 "[ . 1 . 2]" 1
224 1 16 ASN HA 1 18 ASP H 4.220 . 4.220 3.885 3.218 4.508 0.288 8 0 "[ . 1 . 2]" 1
225 1 16 ASN QD 1 18 ASP H 6.080 . 6.080 5.327 3.944 6.390 0.310 12 0 "[ . 1 . 2]" 1
226 1 18 ASP H 1 19 LYS H 5.290 . 5.290 3.341 1.921 4.578 . 0 0 "[ . 1 . 2]" 1
227 1 18 ASP QB 1 19 LYS H 5.910 . 5.910 3.149 2.061 4.040 . 0 0 "[ . 1 . 2]" 1
228 1 19 LYS H 1 20 GLU H 6.300 . 6.300 3.946 2.525 4.628 . 0 0 "[ . 1 . 2]" 1
229 1 19 LYS HA 1 19 LYS QE 6.000 . 6.000 4.580 1.779 5.833 . 0 0 "[ . 1 . 2]" 1
230 1 19 LYS QD 1 20 GLU H 6.300 . 6.300 4.766 2.537 5.893 . 0 0 "[ . 1 . 2]" 1
231 1 19 LYS QG 1 20 GLU H 6.300 . 6.300 3.496 1.871 4.745 . 0 0 "[ . 1 . 2]" 1
232 1 19 LYS QG 1 20 GLU HA 6.300 . 6.300 4.865 4.055 6.299 . 0 0 "[ . 1 . 2]" 1
233 1 20 GLU QB 1 21 THR HA 6.100 . 6.100 4.560 4.265 4.765 . 0 0 "[ . 1 . 2]" 1
234 1 21 THR H 1 22 THR H 6.040 . 6.040 4.161 3.939 4.417 . 0 0 "[ . 1 . 2]" 1
235 1 21 THR H 1 22 THR MG 5.550 . 5.550 4.842 3.691 5.956 0.406 16 0 "[ . 1 . 2]" 1
236 1 21 THR HB 1 22 THR HA 6.300 . 6.300 4.996 4.610 6.047 . 0 0 "[ . 1 . 2]" 1
237 1 21 THR HB 1 23 TYR QE 6.120 . 6.120 4.218 2.647 6.104 . 0 0 "[ . 1 . 2]" 1
238 1 21 THR MG 1 22 THR H 5.150 . 5.150 3.633 2.625 4.336 . 0 0 "[ . 1 . 2]" 1
239 1 21 THR MG 1 22 THR HA 6.300 . 6.300 4.567 3.593 5.729 . 0 0 "[ . 1 . 2]" 1
240 1 21 THR MG 1 23 TYR QD 6.300 . 6.300 4.350 1.830 5.921 . 0 0 "[ . 1 . 2]" 1
241 1 21 THR MG 1 23 TYR QE 4.690 . 4.690 3.391 2.122 4.741 0.051 4 0 "[ . 1 . 2]" 1
242 1 22 THR HA 1 23 TYR QD 6.300 . 6.300 3.567 2.740 4.531 . 0 0 "[ . 1 . 2]" 1
243 1 22 THR HB 1 23 TYR H 6.000 . 6.000 3.528 2.903 4.225 . 0 0 "[ . 1 . 2]" 1
244 1 22 THR MG 1 23 TYR H 5.300 . 5.300 3.298 2.377 3.971 . 0 0 "[ . 1 . 2]" 1
245 1 22 THR MG 1 23 TYR QB 5.500 . 5.500 5.070 4.151 5.670 0.170 1 0 "[ . 1 . 2]" 1
246 1 22 THR MG 1 23 TYR QD 6.010 . 6.010 4.928 4.308 5.480 . 0 0 "[ . 1 . 2]" 1
247 1 22 THR MG 1 59 ARG QD 5.810 . 5.810 5.098 3.759 5.969 0.159 12 0 "[ . 1 . 2]" 1
248 1 23 TYR H 1 23 TYR QD 5.190 . 5.190 2.681 2.240 3.481 . 0 0 "[ . 1 . 2]" 1
249 1 23 TYR H 1 24 ASP H 6.300 . 6.300 4.375 4.290 4.500 . 0 0 "[ . 1 . 2]" 1
250 1 23 TYR QB 1 25 LEU MD2 6.100 . 6.100 2.531 1.995 3.988 . 0 0 "[ . 1 . 2]" 1
251 1 23 TYR QB 1 36 LEU MD1 6.100 . 6.100 5.017 4.322 6.014 . 0 0 "[ . 1 . 2]" 1
252 1 23 TYR QD 1 24 ASP H 5.790 . 5.790 4.336 3.677 4.764 . 0 0 "[ . 1 . 2]" 1
253 1 23 TYR QD 1 36 LEU MD1 6.300 . 6.300 5.809 4.918 6.308 0.008 15 0 "[ . 1 . 2]" 1
254 1 23 TYR QD 1 40 VAL MG1 5.420 . 5.420 4.048 2.298 4.903 . 0 0 "[ . 1 . 2]" 1
255 1 23 TYR QD 1 40 VAL MG2 5.730 . 5.730 3.851 3.171 4.472 . 0 0 "[ . 1 . 2]" 1
256 1 23 TYR QE 1 40 VAL HA 6.300 . 6.300 4.739 2.630 6.039 . 0 0 "[ . 1 . 2]" 1
257 1 23 TYR QE 1 40 VAL MG1 5.540 . 5.540 4.478 3.023 5.436 . 0 0 "[ . 1 . 2]" 1
258 1 23 TYR QE 1 40 VAL MG2 6.300 . 6.300 4.739 1.701 5.671 . 0 0 "[ . 1 . 2]" 1
259 1 23 TYR QE 1 43 LYS QB 6.300 . 6.300 3.011 2.016 4.303 . 0 0 "[ . 1 . 2]" 1
260 1 23 TYR QE 1 43 LYS QG 6.300 . 6.300 3.505 2.395 4.789 . 0 0 "[ . 1 . 2]" 1
261 1 23 TYR QE 1 47 LYS QG 6.300 . 6.300 4.691 3.831 5.678 . 0 0 "[ . 1 . 2]" 1
262 1 24 ASP HA 1 25 LEU HA 6.300 . 6.300 4.427 4.364 4.514 . 0 0 "[ . 1 . 2]" 1
263 1 24 ASP QB 1 26 TYR QD 5.740 . 5.740 4.392 2.431 5.815 0.075 2 0 "[ . 1 . 2]" 1
264 1 24 ASP QB 1 26 TYR QE 4.620 . 4.620 3.355 1.713 4.642 0.022 2 0 "[ . 1 . 2]" 1
265 1 24 ASP HB2 1 25 LEU H 6.300 . 6.300 4.206 3.467 4.476 . 0 0 "[ . 1 . 2]" 1
266 1 24 ASP HB2 1 26 TYR QE 5.370 . 5.370 4.313 1.827 5.526 0.156 2 0 "[ . 1 . 2]" 1
267 1 24 ASP HB3 1 25 LEU H 6.300 . 6.300 3.884 3.016 4.451 . 0 0 "[ . 1 . 2]" 1
268 1 24 ASP HB3 1 26 TYR QE 5.370 . 5.370 3.780 1.718 5.445 0.075 11 0 "[ . 1 . 2]" 1
269 1 25 LEU H 1 26 TYR H 6.270 . 6.270 3.819 1.812 4.485 . 0 0 "[ . 1 . 2]" 1
270 1 25 LEU H 1 26 TYR QD 6.300 . 6.300 4.526 2.333 5.477 . 0 0 "[ . 1 . 2]" 1
271 1 25 LEU H 1 36 LEU MD1 6.300 . 6.300 5.286 4.971 5.803 . 0 0 "[ . 1 . 2]" 1
272 1 25 LEU HA 1 26 TYR HA 6.300 . 6.300 4.687 4.338 5.415 . 0 0 "[ . 1 . 2]" 1
273 1 25 LEU HA 1 26 TYR HB2 6.300 . 6.300 4.462 4.106 4.715 . 0 0 "[ . 1 . 2]" 1
274 1 25 LEU HA 1 26 TYR HB3 6.000 . 6.000 5.705 5.413 6.112 0.112 3 0 "[ . 1 . 2]" 1
275 1 25 LEU HA 1 26 TYR QD 6.300 . 6.300 3.630 3.034 4.577 . 0 0 "[ . 1 . 2]" 1
276 1 25 LEU HA 1 36 LEU MD1 5.000 . 5.000 3.560 2.685 4.333 . 0 0 "[ . 1 . 2]" 1
277 1 25 LEU HA 1 36 LEU HG 6.300 . 6.300 4.075 2.966 4.853 . 0 0 "[ . 1 . 2]" 1
278 1 25 LEU QB 1 36 LEU HA 6.100 . 6.100 4.614 4.257 5.034 . 0 0 "[ . 1 . 2]" 1
279 1 25 LEU QB 1 36 LEU HG 4.690 . 4.690 2.045 1.542 2.743 . 0 0 "[ . 1 . 2]" 1
280 1 25 LEU QB 1 76 TRP HH2 6.100 . 6.100 5.064 3.569 5.593 . 0 0 "[ . 1 . 2]" 1
281 1 25 LEU QB 1 76 TRP HZ2 5.380 . 5.380 4.817 3.985 5.397 0.017 10 0 "[ . 1 . 2]" 1
282 1 25 LEU MD1 1 26 TYR H 5.850 . 5.850 3.819 2.897 4.941 . 0 0 "[ . 1 . 2]" 1
283 1 25 LEU MD1 1 33 ALA HA 6.300 . 6.300 4.487 3.377 5.461 . 0 0 "[ . 1 . 2]" 1
284 1 25 LEU MD1 1 33 ALA MB 6.000 . 6.000 4.780 3.787 5.856 . 0 0 "[ . 1 . 2]" 1
285 1 25 LEU MD1 1 36 LEU H 6.300 . 6.300 4.945 4.711 5.535 . 0 0 "[ . 1 . 2]" 1
286 1 25 LEU MD1 1 36 LEU MD1 6.300 . 6.300 2.998 2.094 3.711 . 0 0 "[ . 1 . 2]" 1
287 1 25 LEU MD1 1 36 LEU MD2 6.300 . 6.300 3.793 3.039 4.276 . 0 0 "[ . 1 . 2]" 1
288 1 25 LEU MD1 1 36 LEU HG 6.300 . 6.300 2.633 1.853 3.250 . 0 0 "[ . 1 . 2]" 1
289 1 25 LEU MD1 1 40 VAL HB 6.300 . 6.300 4.654 3.690 6.074 . 0 0 "[ . 1 . 2]" 1
290 1 25 LEU MD1 1 58 ILE MG 6.300 . 6.300 5.198 4.424 6.067 . 0 0 "[ . 1 . 2]" 1
291 1 25 LEU MD1 1 76 TRP HD1 6.300 . 6.300 5.963 5.444 6.404 0.104 12 0 "[ . 1 . 2]" 1
292 1 25 LEU MD1 1 76 TRP HE1 5.510 . 5.510 4.284 3.915 4.717 . 0 0 "[ . 1 . 2]" 1
293 1 25 LEU MD1 1 76 TRP HH2 6.300 . 6.300 2.474 1.861 3.379 . 0 0 "[ . 1 . 2]" 1
294 1 25 LEU MD1 1 76 TRP HZ2 6.060 . 6.060 2.613 2.171 3.363 . 0 0 "[ . 1 . 2]" 1
295 1 25 LEU MD2 1 26 TYR H 6.300 . 6.300 4.663 3.451 5.158 . 0 0 "[ . 1 . 2]" 1
296 1 25 LEU MD2 1 36 LEU MD1 6.300 . 6.300 2.936 1.757 4.134 . 0 0 "[ . 1 . 2]" 1
297 1 25 LEU MD2 1 36 LEU MD2 6.300 . 6.300 4.823 3.967 5.807 . 0 0 "[ . 1 . 2]" 1
298 1 25 LEU MD2 1 36 LEU HG 6.300 . 6.300 3.832 2.656 5.159 . 0 0 "[ . 1 . 2]" 1
299 1 25 LEU MD2 1 40 VAL HA 6.300 . 6.300 4.866 4.317 5.491 . 0 0 "[ . 1 . 2]" 1
300 1 25 LEU MD2 1 76 TRP HH2 6.300 . 6.300 3.325 1.993 4.805 . 0 0 "[ . 1 . 2]" 1
301 1 25 LEU MD2 1 76 TRP HZ2 6.300 . 6.300 3.857 2.424 4.838 . 0 0 "[ . 1 . 2]" 1
302 1 25 LEU HG 1 26 TYR H 6.300 . 6.300 4.066 1.998 4.736 . 0 0 "[ . 1 . 2]" 1
303 1 25 LEU HG 1 26 TYR QD 6.300 . 6.300 5.831 3.971 6.441 0.141 12 0 "[ . 1 . 2]" 1
304 1 25 LEU HG 1 60 PHE QD 6.300 . 6.300 6.030 5.325 6.488 0.188 8 0 "[ . 1 . 2]" 1
305 1 25 LEU HG 1 76 TRP HZ2 6.300 . 6.300 4.978 4.385 5.482 . 0 0 "[ . 1 . 2]" 1
306 1 26 TYR H 1 26 TYR QD 4.950 . 4.950 3.105 2.191 3.667 . 0 0 "[ . 1 . 2]" 1
307 1 26 TYR H 1 26 TYR QE 6.300 . 6.300 4.941 4.347 5.413 . 0 0 "[ . 1 . 2]" 1
308 1 26 TYR H 1 27 PHE H 6.060 . 6.060 4.121 3.407 4.561 . 0 0 "[ . 1 . 2]" 1
309 1 26 TYR H 1 36 LEU MD1 6.300 . 6.300 4.314 3.299 5.617 . 0 0 "[ . 1 . 2]" 1
310 1 26 TYR HA 1 36 LEU HG 6.300 . 6.300 5.770 5.040 6.303 0.003 5 0 "[ . 1 . 2]" 1
311 1 26 TYR HB2 1 27 PHE H 6.300 . 6.300 4.231 3.245 4.595 . 0 0 "[ . 1 . 2]" 1
312 1 26 TYR HB3 1 27 PHE H 6.100 . 6.100 3.362 1.842 4.020 . 0 0 "[ . 1 . 2]" 1
313 1 26 TYR HB3 1 36 LEU MD2 6.300 . 6.300 6.265 5.474 6.515 0.215 12 0 "[ . 1 . 2]" 1
314 1 26 TYR QD 1 27 PHE H 6.300 . 6.300 4.205 3.537 4.689 . 0 0 "[ . 1 . 2]" 1
315 1 27 PHE H 1 28 SER H 6.300 . 6.300 4.294 3.773 4.572 . 0 0 "[ . 1 . 2]" 1
316 1 27 PHE H 1 60 PHE HZ 6.010 . 6.010 5.301 3.733 6.102 0.092 15 0 "[ . 1 . 2]" 1
317 1 27 PHE HA 1 28 SER HA 6.150 . 6.150 4.501 4.426 4.600 . 0 0 "[ . 1 . 2]" 1
318 1 27 PHE HA 1 28 SER HB2 6.020 . 6.020 4.847 4.361 5.860 . 0 0 "[ . 1 . 2]" 1
319 1 27 PHE HA 1 28 SER QB 5.300 . 5.300 4.328 3.867 4.714 . 0 0 "[ . 1 . 2]" 1
320 1 27 PHE HA 1 28 SER HB3 6.020 . 6.020 5.112 4.174 5.820 . 0 0 "[ . 1 . 2]" 1
321 1 27 PHE HA 1 33 ALA MB 6.300 . 6.300 3.593 2.859 4.526 . 0 0 "[ . 1 . 2]" 1
322 1 27 PHE QB 1 32 GLU QB 5.440 . 5.440 5.242 4.226 5.761 0.321 20 0 "[ . 1 . 2]" 1
323 1 27 PHE QB 1 33 ALA HA 5.410 . 5.410 4.253 2.452 4.872 . 0 0 "[ . 1 . 2]" 1
324 1 27 PHE QB 1 36 LEU QB 5.890 . 5.890 5.396 3.605 5.940 0.050 13 0 "[ . 1 . 2]" 1
325 1 27 PHE QB 1 36 LEU MD2 6.100 . 6.100 5.225 4.440 5.941 . 0 0 "[ . 1 . 2]" 1
326 1 27 PHE QB 1 36 LEU HG 6.100 . 6.100 5.853 4.338 6.279 0.179 13 0 "[ . 1 . 2]" 1
327 1 27 PHE QB 1 60 PHE HZ 4.900 . 4.900 3.970 2.050 5.036 0.136 2 0 "[ . 1 . 2]" 1
328 1 27 PHE HB2 1 29 LYS H 6.300 . 6.300 5.278 2.957 6.511 0.211 10 0 "[ . 1 . 2]" 1
329 1 27 PHE HB2 1 33 ALA HA 6.300 . 6.300 4.994 2.481 6.290 . 0 0 "[ . 1 . 2]" 1
330 1 27 PHE HB2 1 33 ALA MB 6.300 . 6.300 3.813 2.167 4.801 . 0 0 "[ . 1 . 2]" 1
331 1 27 PHE HB3 1 29 LYS H 6.300 . 6.300 4.878 2.072 6.151 . 0 0 "[ . 1 . 2]" 1
332 1 27 PHE HB3 1 33 ALA HA 6.300 . 6.300 5.210 3.242 6.372 0.072 9 0 "[ . 1 . 2]" 1
333 1 27 PHE HB3 1 33 ALA MB 6.300 . 6.300 3.787 2.215 5.418 . 0 0 "[ . 1 . 2]" 1
334 1 27 PHE QD 1 33 ALA MB 6.300 . 6.300 2.439 1.669 4.617 . 0 0 "[ . 1 . 2]" 1
335 1 27 PHE QD 1 36 LEU MD2 6.300 . 6.300 4.787 2.536 6.185 . 0 0 "[ . 1 . 2]" 1
336 1 30 ALA H 1 72 LYS QE 6.300 . 6.300 4.660 3.003 6.388 0.088 19 0 "[ . 1 . 2]" 1
337 1 30 ALA MB 1 31 GLU H 6.300 . 6.300 2.553 1.893 3.083 . 0 0 "[ . 1 . 2]" 1
338 1 30 ALA MB 1 32 GLU QG 6.100 . 6.100 5.388 2.530 6.205 0.105 3 0 "[ . 1 . 2]" 1
339 1 30 ALA MB 1 33 ALA H 5.240 . 5.240 4.424 3.228 4.768 . 0 0 "[ . 1 . 2]" 1
340 1 30 ALA MB 1 33 ALA MB 3.840 . 3.840 3.680 3.215 4.100 0.260 16 0 "[ . 1 . 2]" 1
341 1 31 GLU H 1 32 GLU H 6.300 . 6.300 2.655 2.531 2.861 . 0 0 "[ . 1 . 2]" 1
342 1 31 GLU QB 1 32 GLU H 5.690 . 5.690 2.598 2.278 3.582 . 0 0 "[ . 1 . 2]" 1
343 1 32 GLU H 1 32 GLU QG 4.630 . 4.630 2.262 1.969 3.443 . 0 0 "[ . 1 . 2]" 1
344 1 32 GLU H 1 33 ALA H 5.010 . 5.010 2.622 2.426 2.822 . 0 0 "[ . 1 . 2]" 1
345 1 32 GLU QB 1 36 LEU MD2 6.100 . 6.100 2.972 2.357 4.576 . 0 0 "[ . 1 . 2]" 1
346 1 33 ALA H 1 34 LYS H 4.910 . 4.910 2.750 2.486 2.855 . 0 0 "[ . 1 . 2]" 1
347 1 33 ALA H 1 34 LYS QB 5.830 . 5.830 4.602 4.237 4.871 . 0 0 "[ . 1 . 2]" 1
348 1 33 ALA HA 1 35 GLU QB 5.080 . 5.080 4.950 4.387 5.189 0.109 12 0 "[ . 1 . 2]" 1
349 1 33 ALA HA 1 36 LEU H 5.080 . 5.080 3.526 2.982 3.855 . 0 0 "[ . 1 . 2]" 1
350 1 33 ALA HA 1 36 LEU QB 6.100 . 6.100 2.717 2.138 3.332 . 0 0 "[ . 1 . 2]" 1
351 1 33 ALA HA 1 36 LEU MD2 6.170 . 6.170 2.880 1.855 3.864 . 0 0 "[ . 1 . 2]" 1
352 1 33 ALA HA 1 36 LEU HG 6.300 . 6.300 4.279 3.658 4.948 . 0 0 "[ . 1 . 2]" 1
353 1 33 ALA HA 1 76 TRP HE1 6.080 . 6.080 3.721 3.308 4.183 . 0 0 "[ . 1 . 2]" 1
354 1 33 ALA MB 1 34 LYS H 4.800 . 4.800 2.595 2.285 3.006 . 0 0 "[ . 1 . 2]" 1
355 1 33 ALA MB 1 35 GLU H 5.990 . 5.990 4.509 4.312 4.726 . 0 0 "[ . 1 . 2]" 1
356 1 33 ALA MB 1 36 LEU H 6.300 . 6.300 4.677 4.246 4.961 . 0 0 "[ . 1 . 2]" 1
357 1 33 ALA MB 1 76 TRP HD1 5.310 . 5.310 2.695 2.295 3.504 . 0 0 "[ . 1 . 2]" 1
358 1 33 ALA MB 1 76 TRP HE1 5.320 . 5.320 3.343 2.623 3.872 . 0 0 "[ . 1 . 2]" 1
359 1 34 LYS H 1 34 LYS QB 3.850 . 3.850 2.328 2.203 2.500 . 0 0 "[ . 1 . 2]" 1
360 1 34 LYS H 1 34 LYS QE 6.300 . 6.300 4.769 3.443 6.179 . 0 0 "[ . 1 . 2]" 1
361 1 34 LYS H 1 35 GLU QB 6.100 . 6.100 4.424 4.297 4.578 . 0 0 "[ . 1 . 2]" 1
362 1 34 LYS HA 1 34 LYS QE 5.700 . 5.700 4.353 2.435 5.172 . 0 0 "[ . 1 . 2]" 1
363 1 34 LYS HA 1 37 LEU HB3 6.300 . 6.300 2.330 1.934 2.796 . 0 0 "[ . 1 . 2]" 1
364 1 34 LYS HA 1 37 LEU MD1 6.300 . 6.300 3.080 2.460 4.695 . 0 0 "[ . 1 . 2]" 1
365 1 34 LYS HA 1 37 LEU MD2 6.300 . 6.300 3.397 2.440 3.897 . 0 0 "[ . 1 . 2]" 1
366 1 34 LYS HA 1 76 TRP HD1 5.660 . 5.660 3.419 2.829 3.939 . 0 0 "[ . 1 . 2]" 1
367 1 34 LYS HA 1 76 TRP HZ2 6.300 . 6.300 6.212 5.104 6.624 0.324 14 0 "[ . 1 . 2]" 1
368 1 34 LYS QB 1 37 LEU MD2 6.100 . 6.100 4.155 2.696 5.105 . 0 0 "[ . 1 . 2]" 1
369 1 34 LYS QE 1 35 GLU H 6.300 . 6.300 5.175 3.375 6.365 0.065 4 0 "[ . 1 . 2]" 1
370 1 34 LYS QG 1 35 GLU H 6.300 . 6.300 4.017 2.421 4.554 . 0 0 "[ . 1 . 2]" 1
371 1 34 LYS QG 1 76 TRP HD1 6.300 . 6.300 4.719 3.728 5.808 . 0 0 "[ . 1 . 2]" 1
372 1 35 GLU H 1 36 LEU H 4.880 . 4.880 2.620 2.511 2.747 . 0 0 "[ . 1 . 2]" 1
373 1 35 GLU H 1 36 LEU MD2 6.300 . 6.300 3.905 3.536 4.110 . 0 0 "[ . 1 . 2]" 1
374 1 35 GLU H 1 37 LEU HB3 6.210 . 6.210 4.548 4.372 4.747 . 0 0 "[ . 1 . 2]" 1
375 1 35 GLU HA 1 37 LEU MD2 6.300 . 6.300 5.127 4.954 5.563 . 0 0 "[ . 1 . 2]" 1
376 1 35 GLU HA 1 38 LYS H 5.880 . 5.880 3.511 2.787 3.902 . 0 0 "[ . 1 . 2]" 1
377 1 35 GLU QB 1 37 LEU H 6.100 . 6.100 4.584 4.429 4.857 . 0 0 "[ . 1 . 2]" 1
378 1 35 GLU QB 1 37 LEU MD2 6.080 . 6.080 6.226 6.069 6.357 0.277 13 0 "[ . 1 . 2]" 1
379 1 35 GLU QG 1 36 LEU H 5.490 . 5.490 3.833 3.341 4.583 . 0 0 "[ . 1 . 2]" 1
380 1 35 GLU QG 1 36 LEU MD1 6.300 . 6.300 4.235 3.361 5.802 . 0 0 "[ . 1 . 2]" 1
381 1 35 GLU QG 1 38 LYS QD 5.250 . 5.250 4.347 2.232 5.570 0.320 2 0 "[ . 1 . 2]" 1
382 1 35 GLU QG 1 38 LYS QE 6.300 . 6.300 4.760 2.535 6.381 0.081 15 0 "[ . 1 . 2]" 1
383 1 36 LEU H 1 37 LEU H 5.030 . 5.030 2.625 2.558 2.716 . 0 0 "[ . 1 . 2]" 1
384 1 36 LEU H 1 39 LYS QB 5.150 . 5.150 4.976 4.671 5.196 0.046 10 0 "[ . 1 . 2]" 1
385 1 36 LEU HA 1 39 LYS H 6.300 . 6.300 3.286 3.061 3.486 . 0 0 "[ . 1 . 2]" 1
386 1 36 LEU HA 1 39 LYS QB 4.920 . 4.920 2.483 2.184 2.733 . 0 0 "[ . 1 . 2]" 1
387 1 36 LEU HA 1 40 VAL H 6.300 . 6.300 3.988 3.691 4.248 . 0 0 "[ . 1 . 2]" 1
388 1 36 LEU QB 1 76 TRP HZ2 5.290 . 5.290 2.734 2.438 3.105 . 0 0 "[ . 1 . 2]" 1
389 1 36 LEU MD1 1 37 LEU HA 6.300 . 6.300 5.783 5.597 5.965 . 0 0 "[ . 1 . 2]" 1
390 1 36 LEU MD1 1 38 LYS H 6.300 . 6.300 5.745 5.555 5.985 . 0 0 "[ . 1 . 2]" 1
391 1 36 LEU MD1 1 39 LYS H 6.300 . 6.300 4.597 4.303 4.825 . 0 0 "[ . 1 . 2]" 1
392 1 36 LEU MD1 1 39 LYS QE 6.300 . 6.300 3.980 2.832 5.816 . 0 0 "[ . 1 . 2]" 1
393 1 36 LEU MD1 1 40 VAL H 6.300 . 6.300 4.686 4.316 5.115 . 0 0 "[ . 1 . 2]" 1
394 1 36 LEU MD1 1 40 VAL MG2 5.110 . 5.110 3.610 3.140 4.095 . 0 0 "[ . 1 . 2]" 1
395 1 36 LEU MD1 1 76 TRP HH2 6.300 . 6.300 5.875 5.340 6.358 0.058 8 0 "[ . 1 . 2]" 1
396 1 36 LEU MD2 1 37 LEU HA 6.300 . 6.300 6.140 5.896 6.261 . 0 0 "[ . 1 . 2]" 1
397 1 36 LEU MD2 1 39 LYS H 6.300 . 6.300 5.569 5.222 5.978 . 0 0 "[ . 1 . 2]" 1
398 1 36 LEU MD2 1 39 LYS QG 6.290 . 6.290 4.858 3.600 6.103 . 0 0 "[ . 1 . 2]" 1
399 1 36 LEU HG 1 37 LEU H 6.300 . 6.300 5.340 5.173 5.434 . 0 0 "[ . 1 . 2]" 1
400 1 36 LEU HG 1 40 VAL MG2 6.030 . 6.030 4.943 4.594 5.422 . 0 0 "[ . 1 . 2]" 1
401 1 36 LEU HG 1 76 TRP HH2 6.300 . 6.300 6.179 5.686 6.435 0.135 13 0 "[ . 1 . 2]" 1
402 1 36 LEU HG 1 76 TRP HZ2 5.080 . 5.080 4.897 4.618 5.154 0.074 18 0 "[ . 1 . 2]" 1
403 1 37 LEU H 1 38 LYS H 5.270 . 5.270 2.739 2.570 2.869 . 0 0 "[ . 1 . 2]" 1
404 1 37 LEU H 1 38 LYS HA 6.300 . 6.300 5.360 5.225 5.442 . 0 0 "[ . 1 . 2]" 1
405 1 37 LEU H 1 76 TRP HE1 5.780 . 5.780 2.463 2.018 3.098 . 0 0 "[ . 1 . 2]" 1
406 1 37 LEU H 1 76 TRP HZ2 6.300 . 6.300 3.768 3.368 4.240 . 0 0 "[ . 1 . 2]" 1
407 1 37 LEU HA 1 40 VAL HB 5.930 . 5.930 3.207 2.829 3.658 . 0 0 "[ . 1 . 2]" 1
408 1 37 LEU HA 1 40 VAL MG1 6.300 . 6.300 4.482 4.084 4.923 . 0 0 "[ . 1 . 2]" 1
409 1 37 LEU HA 1 40 VAL MG2 6.300 . 6.300 3.743 3.216 4.277 . 0 0 "[ . 1 . 2]" 1
410 1 37 LEU HA 1 41 ALA MB 6.300 . 6.300 4.451 3.857 4.993 . 0 0 "[ . 1 . 2]" 1
411 1 37 LEU HA 1 76 TRP HE1 6.300 . 6.300 2.896 2.320 3.486 . 0 0 "[ . 1 . 2]" 1
412 1 37 LEU HA 1 76 TRP HZ2 5.220 . 5.220 2.893 2.412 3.606 . 0 0 "[ . 1 . 2]" 1
413 1 37 LEU HA 1 80 VAL MG2 6.300 . 6.300 2.583 2.146 4.468 . 0 0 "[ . 1 . 2]" 1
414 1 37 LEU HB2 1 38 LYS H 6.300 . 6.300 3.880 3.795 4.061 . 0 0 "[ . 1 . 2]" 1
415 1 37 LEU HB2 1 41 ALA H 6.300 . 6.300 6.261 5.787 6.418 0.118 13 0 "[ . 1 . 2]" 1
416 1 37 LEU HB2 1 76 TRP HD1 6.150 . 6.150 2.897 2.613 3.437 . 0 0 "[ . 1 . 2]" 1
417 1 37 LEU HB2 1 76 TRP HE1 4.990 . 4.990 1.977 1.562 2.828 . 0 0 "[ . 1 . 2]" 1
418 1 37 LEU HB2 1 80 VAL MG2 6.300 . 6.300 3.279 2.619 5.436 . 0 0 "[ . 1 . 2]" 1
419 1 37 LEU HB3 1 38 LYS H 5.180 . 5.180 2.539 2.437 2.818 . 0 0 "[ . 1 . 2]" 1
420 1 37 LEU HB3 1 76 TRP HD1 6.300 . 6.300 4.128 3.712 4.538 . 0 0 "[ . 1 . 2]" 1
421 1 37 LEU HB3 1 76 TRP HE1 5.870 . 5.870 3.206 2.914 3.469 . 0 0 "[ . 1 . 2]" 1
422 1 37 LEU MD1 1 41 ALA MB 6.300 . 6.300 4.700 2.432 5.295 . 0 0 "[ . 1 . 2]" 1
423 1 37 LEU MD1 1 76 TRP HA 6.300 . 6.300 3.016 2.263 4.908 . 0 0 "[ . 1 . 2]" 1
424 1 37 LEU MD1 1 76 TRP HD1 5.830 . 5.830 2.988 2.405 5.007 . 0 0 "[ . 1 . 2]" 1
425 1 37 LEU MD1 1 76 TRP HE1 6.010 . 6.010 3.540 2.882 4.628 . 0 0 "[ . 1 . 2]" 1
426 1 37 LEU MD1 1 79 GLU H 6.300 . 6.300 4.133 3.832 4.567 . 0 0 "[ . 1 . 2]" 1
427 1 37 LEU MD1 1 79 GLU HA 6.300 . 6.300 4.198 3.833 4.716 . 0 0 "[ . 1 . 2]" 1
428 1 37 LEU MD1 1 79 GLU QB 6.300 . 6.300 2.016 1.768 2.680 . 0 0 "[ . 1 . 2]" 1
429 1 37 LEU MD1 1 79 GLU HG2 6.300 . 6.300 4.249 3.706 5.102 . 0 0 "[ . 1 . 2]" 1
430 1 37 LEU MD1 1 79 GLU QG 5.530 . 5.530 3.567 2.580 4.467 . 0 0 "[ . 1 . 2]" 1
431 1 37 LEU MD1 1 79 GLU HG3 6.300 . 6.300 3.865 2.633 4.936 . 0 0 "[ . 1 . 2]" 1
432 1 37 LEU MD1 1 80 VAL H 6.060 . 6.060 3.205 2.884 3.591 . 0 0 "[ . 1 . 2]" 1
433 1 37 LEU MD1 1 80 VAL HA 6.300 . 6.300 3.470 2.179 4.488 . 0 0 "[ . 1 . 2]" 1
434 1 37 LEU MD1 1 83 LYS H 6.300 . 6.300 5.292 3.953 6.239 . 0 0 "[ . 1 . 2]" 1
435 1 37 LEU MD1 1 83 LYS QB 6.300 . 6.300 4.034 2.364 5.474 . 0 0 "[ . 1 . 2]" 1
436 1 37 LEU MD2 1 38 LYS H 6.010 . 6.010 2.957 2.703 3.990 . 0 0 "[ . 1 . 2]" 1
437 1 37 LEU MD2 1 38 LYS HA 6.300 . 6.300 2.810 2.455 4.651 . 0 0 "[ . 1 . 2]" 1
438 1 37 LEU MD2 1 38 LYS HB2 6.300 . 6.300 3.656 2.962 5.640 . 0 0 "[ . 1 . 2]" 1
439 1 37 LEU MD2 1 38 LYS HB3 6.300 . 6.300 4.314 2.570 6.016 . 0 0 "[ . 1 . 2]" 1
440 1 37 LEU MD2 1 38 LYS QE 6.300 . 6.300 5.024 3.659 6.409 0.109 3 0 "[ . 1 . 2]" 1
441 1 37 LEU MD2 1 38 LYS QG 6.300 . 6.300 3.891 2.356 5.624 . 0 0 "[ . 1 . 2]" 1
442 1 37 LEU MD2 1 41 ALA MB 5.650 . 5.650 3.449 3.024 4.706 . 0 0 "[ . 1 . 2]" 1
443 1 37 LEU MD2 1 76 TRP HE1 6.300 . 6.300 4.665 3.880 4.918 . 0 0 "[ . 1 . 2]" 1
444 1 37 LEU MD2 1 79 GLU HA 6.300 . 6.300 5.393 4.101 6.340 0.040 6 0 "[ . 1 . 2]" 1
445 1 37 LEU MD2 1 80 VAL H 6.300 . 6.300 4.869 4.228 5.652 . 0 0 "[ . 1 . 2]" 1
446 1 37 LEU MD2 1 80 VAL HA 6.240 . 6.240 3.865 3.308 4.786 . 0 0 "[ . 1 . 2]" 1
447 1 37 LEU MD2 1 83 LYS HA 6.300 . 6.300 5.473 4.596 6.355 0.055 1 0 "[ . 1 . 2]" 1
448 1 37 LEU HG 1 80 VAL HA 6.300 . 6.300 3.105 2.395 4.871 . 0 0 "[ . 1 . 2]" 1
449 1 37 LEU HG 1 80 VAL MG1 5.920 . 5.920 3.835 1.961 5.902 . 0 0 "[ . 1 . 2]" 1
450 1 37 LEU HG 1 80 VAL MG2 6.020 . 6.020 2.516 1.889 4.646 . 0 0 "[ . 1 . 2]" 1
451 1 38 LYS H 1 38 LYS QE 6.300 . 6.300 4.770 3.171 6.175 . 0 0 "[ . 1 . 2]" 1
452 1 38 LYS H 1 39 LYS H 5.060 . 5.060 2.658 2.532 2.759 . 0 0 "[ . 1 . 2]" 1
453 1 38 LYS H 1 39 LYS QB 4.700 . 4.700 4.600 4.391 4.765 0.065 19 0 "[ . 1 . 2]" 1
454 1 38 LYS H 1 40 VAL H 6.300 . 6.300 4.385 4.156 4.597 . 0 0 "[ . 1 . 2]" 1
455 1 38 LYS H 1 41 ALA MB 6.300 . 6.300 4.647 4.406 4.939 . 0 0 "[ . 1 . 2]" 1
456 1 38 LYS HA 1 38 LYS QE 6.300 . 6.300 4.594 3.821 5.756 . 0 0 "[ . 1 . 2]" 1
457 1 38 LYS HA 1 39 LYS HA 5.430 . 5.430 4.846 4.795 4.895 . 0 0 "[ . 1 . 2]" 1
458 1 38 LYS HA 1 41 ALA H 6.300 . 6.300 3.745 3.216 4.467 . 0 0 "[ . 1 . 2]" 1
459 1 38 LYS HA 1 41 ALA MB 5.150 . 5.150 2.739 2.180 3.646 . 0 0 "[ . 1 . 2]" 1
460 1 38 LYS HA 1 42 GLU H 6.300 . 6.300 4.278 3.714 4.770 . 0 0 "[ . 1 . 2]" 1
461 1 38 LYS QD 1 39 LYS H 6.240 . 6.240 4.595 3.450 5.333 . 0 0 "[ . 1 . 2]" 1
462 1 38 LYS QG 1 39 LYS H 5.970 . 5.970 3.724 2.502 4.756 . 0 0 "[ . 1 . 2]" 1
463 1 38 LYS QG 1 42 GLU H 6.300 . 6.300 4.959 4.042 6.171 . 0 0 "[ . 1 . 2]" 1
464 1 38 LYS QG 1 42 GLU QG 6.100 . 6.100 3.886 2.158 6.034 . 0 0 "[ . 1 . 2]" 1
465 1 39 LYS H 1 39 LYS QB 3.760 . 3.760 2.383 2.187 2.505 . 0 0 "[ . 1 . 2]" 1
466 1 39 LYS H 1 39 LYS QD 4.850 . 4.850 3.845 2.537 4.412 . 0 0 "[ . 1 . 2]" 1
467 1 39 LYS H 1 39 LYS QE 6.300 . 6.300 4.850 4.238 6.115 . 0 0 "[ . 1 . 2]" 1
468 1 39 LYS H 1 40 VAL H 5.040 . 5.040 2.767 2.649 2.877 . 0 0 "[ . 1 . 2]" 1
469 1 39 LYS H 1 40 VAL MG2 6.300 . 6.300 4.344 4.121 4.643 . 0 0 "[ . 1 . 2]" 1
470 1 39 LYS HA 1 39 LYS QE 6.300 . 6.300 4.487 3.819 5.112 . 0 0 "[ . 1 . 2]" 1
471 1 39 LYS HA 1 40 VAL HA 6.300 . 6.300 4.830 4.762 4.891 . 0 0 "[ . 1 . 2]" 1
472 1 39 LYS HA 1 42 GLU H 5.910 . 5.910 3.750 3.296 4.425 . 0 0 "[ . 1 . 2]" 1
473 1 39 LYS HA 1 42 GLU QG 6.100 . 6.100 3.209 1.994 4.644 . 0 0 "[ . 1 . 2]" 1
474 1 39 LYS QB 1 40 VAL HA 5.550 . 5.550 3.955 3.751 4.237 . 0 0 "[ . 1 . 2]" 1
475 1 39 LYS QB 1 42 GLU QG 5.840 . 5.840 4.888 3.873 5.961 0.121 18 0 "[ . 1 . 2]" 1
476 1 39 LYS QB 1 43 LYS H 5.660 . 5.660 4.986 4.767 5.445 . 0 0 "[ . 1 . 2]" 1
477 1 39 LYS QB 1 43 LYS QG 4.040 . 4.040 3.603 3.031 4.244 0.204 4 0 "[ . 1 . 2]" 1
478 1 39 LYS HB2 1 40 VAL H 5.590 . 5.590 2.758 2.396 3.907 . 0 0 "[ . 1 . 2]" 1
479 1 39 LYS HB3 1 40 VAL H 5.590 . 5.590 3.321 2.412 3.795 . 0 0 "[ . 1 . 2]" 1
480 1 39 LYS QG 1 42 GLU QG 6.100 . 6.100 4.837 3.584 6.065 . 0 0 "[ . 1 . 2]" 1
481 1 40 VAL H 1 41 ALA H 4.850 . 4.850 2.661 2.519 2.771 . 0 0 "[ . 1 . 2]" 1
482 1 40 VAL H 1 41 ALA MB 6.300 . 6.300 4.332 4.205 4.434 . 0 0 "[ . 1 . 2]" 1
483 1 40 VAL H 1 42 GLU H 6.300 . 6.300 4.291 3.941 4.763 . 0 0 "[ . 1 . 2]" 1
484 1 40 VAL HA 1 41 ALA MB 6.300 . 6.300 5.063 5.022 5.097 . 0 0 "[ . 1 . 2]" 1
485 1 40 VAL HA 1 43 LYS H 6.300 . 6.300 3.595 3.052 4.006 . 0 0 "[ . 1 . 2]" 1
486 1 40 VAL HA 1 43 LYS HA 6.300 . 6.300 5.599 5.119 6.111 . 0 0 "[ . 1 . 2]" 1
487 1 40 VAL HA 1 43 LYS QG 6.280 . 6.280 3.626 2.799 4.515 . 0 0 "[ . 1 . 2]" 1
488 1 40 VAL HA 1 44 ALA H 6.300 . 6.300 3.873 3.587 4.089 . 0 0 "[ . 1 . 2]" 1
489 1 40 VAL HB 1 41 ALA H 4.610 . 4.610 2.762 2.569 2.965 . 0 0 "[ . 1 . 2]" 1
490 1 40 VAL HB 1 41 ALA HA 5.950 . 5.950 4.439 4.298 4.569 . 0 0 "[ . 1 . 2]" 1
491 1 40 VAL HB 1 80 VAL MG2 6.300 . 6.300 3.470 2.406 4.531 . 0 0 "[ . 1 . 2]" 1
492 1 40 VAL HB 1 84 ILE MD 5.670 . 5.670 4.503 3.009 5.338 . 0 0 "[ . 1 . 2]" 1
493 1 40 VAL MG1 1 41 ALA H 5.380 . 5.380 3.446 3.153 3.692 . 0 0 "[ . 1 . 2]" 1
494 1 40 VAL MG1 1 41 ALA HA 6.170 . 6.170 3.456 3.130 3.736 . 0 0 "[ . 1 . 2]" 1
495 1 40 VAL MG1 1 44 ALA H 6.010 . 6.010 4.029 3.602 4.284 . 0 0 "[ . 1 . 2]" 1
496 1 40 VAL MG1 1 44 ALA MB 5.660 . 5.660 3.006 2.701 3.379 . 0 0 "[ . 1 . 2]" 1
497 1 40 VAL MG1 1 76 TRP HH2 6.300 . 6.300 3.638 2.289 5.792 . 0 0 "[ . 1 . 2]" 1
498 1 40 VAL MG1 1 76 TRP HZ2 6.300 . 6.300 4.404 3.747 5.476 . 0 0 "[ . 1 . 2]" 1
499 1 40 VAL MG1 1 80 VAL MG1 3.850 . 3.850 2.430 1.920 3.617 . 0 0 "[ . 1 . 2]" 1
500 1 40 VAL MG1 1 80 VAL MG2 5.640 . 5.640 3.451 2.436 4.389 . 0 0 "[ . 1 . 2]" 1
501 1 40 VAL MG1 1 84 ILE HG12 6.120 . 6.120 4.442 2.706 5.806 . 0 0 "[ . 1 . 2]" 1
502 1 40 VAL MG1 1 84 ILE QG 5.220 . 5.220 3.995 2.594 5.075 . 0 0 "[ . 1 . 2]" 1
503 1 40 VAL MG1 1 84 ILE HG13 6.120 . 6.120 4.574 3.329 5.599 . 0 0 "[ . 1 . 2]" 1
504 1 40 VAL MG2 1 41 ALA H 5.380 . 5.380 3.977 3.788 4.068 . 0 0 "[ . 1 . 2]" 1
505 1 40 VAL MG2 1 41 ALA HA 6.300 . 6.300 5.505 5.431 5.614 . 0 0 "[ . 1 . 2]" 1
506 1 40 VAL MG2 1 41 ALA MB 6.300 . 6.300 5.073 4.914 5.235 . 0 0 "[ . 1 . 2]" 1
507 1 40 VAL MG2 1 44 ALA H 6.300 . 6.300 5.499 5.176 5.778 . 0 0 "[ . 1 . 2]" 1
508 1 40 VAL MG2 1 44 ALA MB 6.300 . 6.300 4.967 4.653 5.481 . 0 0 "[ . 1 . 2]" 1
509 1 40 VAL MG2 1 58 ILE MG 6.300 . 6.300 5.289 4.653 6.344 0.044 18 0 "[ . 1 . 2]" 1
510 1 40 VAL MG2 1 76 TRP HH2 5.680 . 5.680 2.814 1.964 4.512 . 0 0 "[ . 1 . 2]" 1
511 1 40 VAL MG2 1 76 TRP HZ2 5.690 . 5.690 2.966 2.355 4.287 . 0 0 "[ . 1 . 2]" 1
512 1 40 VAL MG2 1 80 VAL MG1 4.740 . 4.740 3.785 2.929 4.570 . 0 0 "[ . 1 . 2]" 1
513 1 40 VAL MG2 1 84 ILE MD 6.300 . 6.300 5.122 4.114 5.778 . 0 0 "[ . 1 . 2]" 1
514 1 41 ALA H 1 42 GLU H 4.390 . 4.390 2.742 2.531 2.945 . 0 0 "[ . 1 . 2]" 1
515 1 41 ALA H 1 42 GLU QG 6.100 . 6.100 4.429 4.051 6.176 0.076 18 0 "[ . 1 . 2]" 1
516 1 41 ALA H 1 83 LYS QB 5.430 . 5.430 5.101 4.416 5.527 0.097 19 0 "[ . 1 . 2]" 1
517 1 41 ALA H 1 84 ILE MD 6.300 . 6.300 4.315 3.145 5.254 . 0 0 "[ . 1 . 2]" 1
518 1 41 ALA HA 1 44 ALA H 6.300 . 6.300 3.952 3.463 4.312 . 0 0 "[ . 1 . 2]" 1
519 1 41 ALA HA 1 45 ALA H 6.300 . 6.300 4.187 3.828 4.740 . 0 0 "[ . 1 . 2]" 1
520 1 41 ALA HA 1 80 VAL MG1 6.300 . 6.300 3.689 2.630 6.189 . 0 0 "[ . 1 . 2]" 1
521 1 41 ALA HA 1 80 VAL MG2 6.300 . 6.300 5.125 4.011 6.342 0.042 12 0 "[ . 1 . 2]" 1
522 1 41 ALA HA 1 83 LYS QB 6.170 . 6.170 4.130 3.156 4.782 . 0 0 "[ . 1 . 2]" 1
523 1 41 ALA HA 1 84 ILE H 6.300 . 6.300 4.630 3.951 5.548 . 0 0 "[ . 1 . 2]" 1
524 1 41 ALA HA 1 84 ILE HB 6.300 . 6.300 5.051 4.716 5.730 . 0 0 "[ . 1 . 2]" 1
525 1 41 ALA HA 1 84 ILE MD 5.760 . 5.760 2.466 1.830 3.650 . 0 0 "[ . 1 . 2]" 1
526 1 41 ALA HA 1 84 ILE HG12 6.300 . 6.300 2.704 1.926 4.479 . 0 0 "[ . 1 . 2]" 1
527 1 41 ALA HA 1 84 ILE QG 5.550 . 5.550 2.343 1.875 3.501 . 0 0 "[ . 1 . 2]" 1
528 1 41 ALA HA 1 84 ILE HG13 6.300 . 6.300 2.773 2.034 3.655 . 0 0 "[ . 1 . 2]" 1
529 1 41 ALA MB 1 42 GLU H 4.890 . 4.890 2.593 2.361 2.843 . 0 0 "[ . 1 . 2]" 1
530 1 41 ALA MB 1 42 GLU HG2 6.300 . 6.300 4.081 3.569 6.221 . 0 0 "[ . 1 . 2]" 1
531 1 41 ALA MB 1 42 GLU HG3 6.300 . 6.300 4.611 2.901 5.796 . 0 0 "[ . 1 . 2]" 1
532 1 41 ALA MB 1 43 LYS H 6.300 . 6.300 4.607 4.319 4.850 . 0 0 "[ . 1 . 2]" 1
533 1 41 ALA MB 1 80 VAL HA 6.300 . 6.300 3.484 2.516 5.080 . 0 0 "[ . 1 . 2]" 1
534 1 41 ALA MB 1 80 VAL MG2 6.300 . 6.300 3.928 3.268 5.463 . 0 0 "[ . 1 . 2]" 1
535 1 41 ALA MB 1 83 LYS QB 4.700 . 4.700 2.512 1.921 3.611 . 0 0 "[ . 1 . 2]" 1
536 1 41 ALA MB 1 84 ILE H 6.300 . 6.300 3.884 3.193 4.624 . 0 0 "[ . 1 . 2]" 1
537 1 41 ALA MB 1 84 ILE HA 6.300 . 6.300 3.921 3.343 4.608 . 0 0 "[ . 1 . 2]" 1
538 1 41 ALA MB 1 87 GLU QG 5.830 . 5.830 3.963 2.277 5.300 . 0 0 "[ . 1 . 2]" 1
539 1 42 GLU H 1 42 GLU HG2 5.110 . 5.110 2.833 2.104 4.447 . 0 0 "[ . 1 . 2]" 1
540 1 42 GLU H 1 42 GLU HG3 5.110 . 5.110 3.219 1.985 4.486 . 0 0 "[ . 1 . 2]" 1
541 1 42 GLU H 1 43 LYS QE 6.300 . 6.300 5.523 4.035 6.508 0.208 10 0 "[ . 1 . 2]" 1
542 1 42 GLU H 1 45 ALA MB 6.300 . 6.300 4.602 4.328 4.907 . 0 0 "[ . 1 . 2]" 1
543 1 42 GLU HA 1 44 ALA H 6.300 . 6.300 4.557 4.259 4.915 . 0 0 "[ . 1 . 2]" 1
544 1 42 GLU HA 1 45 ALA H 6.300 . 6.300 3.645 3.204 4.094 . 0 0 "[ . 1 . 2]" 1
545 1 42 GLU HA 1 45 ALA MB 4.690 . 4.690 2.600 2.188 3.142 . 0 0 "[ . 1 . 2]" 1
546 1 42 GLU HA 1 46 ASP H 6.300 . 6.300 4.400 3.993 5.303 . 0 0 "[ . 1 . 2]" 1
547 1 42 GLU HA 1 87 GLU QG 6.100 . 6.100 4.809 3.528 5.863 . 0 0 "[ . 1 . 2]" 1
548 1 42 GLU QB 1 44 ALA H 5.540 . 5.540 4.909 4.524 5.488 . 0 0 "[ . 1 . 2]" 1
549 1 42 GLU QB 1 45 ALA MB 5.370 . 5.370 4.084 3.492 4.589 . 0 0 "[ . 1 . 2]" 1
550 1 42 GLU QB 1 46 ASP H 6.100 . 6.100 5.043 4.753 5.662 . 0 0 "[ . 1 . 2]" 1
551 1 42 GLU QG 1 45 ALA MB 6.100 . 6.100 4.671 3.634 5.404 . 0 0 "[ . 1 . 2]" 1
552 1 43 LYS H 1 43 LYS QE 6.300 . 6.300 4.001 2.574 4.589 . 0 0 "[ . 1 . 2]" 1
553 1 43 LYS H 1 44 ALA H 4.760 . 4.760 2.595 2.498 2.791 . 0 0 "[ . 1 . 2]" 1
554 1 43 LYS H 1 44 ALA MB 6.300 . 6.300 4.288 4.183 4.484 . 0 0 "[ . 1 . 2]" 1
555 1 43 LYS H 1 46 ASP H 5.150 . 5.150 4.727 4.443 5.147 . 0 0 "[ . 1 . 2]" 1
556 1 43 LYS HA 1 46 ASP H 6.000 . 6.000 3.429 3.119 4.015 . 0 0 "[ . 1 . 2]" 1
557 1 43 LYS HA 1 46 ASP HB2 5.900 . 5.900 3.029 2.364 3.778 . 0 0 "[ . 1 . 2]" 1
558 1 43 LYS HA 1 46 ASP HB3 5.900 . 5.900 3.910 2.310 5.051 . 0 0 "[ . 1 . 2]" 1
559 1 43 LYS QB 1 44 ALA H 4.900 . 4.900 2.725 2.392 2.915 . 0 0 "[ . 1 . 2]" 1
560 1 43 LYS QD 1 44 ALA H 6.300 . 6.300 5.075 4.518 5.625 . 0 0 "[ . 1 . 2]" 1
561 1 43 LYS QG 1 44 ALA H 6.250 . 6.250 4.221 4.043 4.376 . 0 0 "[ . 1 . 2]" 1
562 1 43 LYS QG 1 46 ASP H 6.300 . 6.300 5.770 5.133 6.068 . 0 0 "[ . 1 . 2]" 1
563 1 44 ALA H 1 45 ALA MB 5.480 . 5.480 4.221 4.099 4.337 . 0 0 "[ . 1 . 2]" 1
564 1 44 ALA H 1 47 LYS H 6.300 . 6.300 4.950 4.612 5.373 . 0 0 "[ . 1 . 2]" 1
565 1 44 ALA H 1 84 ILE MD 6.300 . 6.300 4.328 3.998 4.883 . 0 0 "[ . 1 . 2]" 1
566 1 44 ALA H 1 84 ILE MG 6.300 . 6.300 5.245 4.313 5.807 . 0 0 "[ . 1 . 2]" 1
567 1 44 ALA HA 1 46 ASP H 6.300 . 6.300 4.193 3.940 4.412 . 0 0 "[ . 1 . 2]" 1
568 1 44 ALA HA 1 47 LYS H 5.710 . 5.710 3.451 3.153 3.893 . 0 0 "[ . 1 . 2]" 1
569 1 44 ALA HA 1 47 LYS QB 6.130 . 6.130 3.083 2.628 3.572 . 0 0 "[ . 1 . 2]" 1
570 1 44 ALA MB 1 45 ALA H 4.850 . 4.850 2.541 2.343 2.828 . 0 0 "[ . 1 . 2]" 1
571 1 44 ALA MB 1 46 ASP QB 6.100 . 6.100 5.374 5.181 5.670 . 0 0 "[ . 1 . 2]" 1
572 1 44 ALA MB 1 47 LYS H 6.300 . 6.300 4.587 4.329 4.887 . 0 0 "[ . 1 . 2]" 1
573 1 44 ALA MB 1 48 ILE MG 6.300 . 6.300 5.696 5.362 6.256 . 0 0 "[ . 1 . 2]" 1
574 1 44 ALA MB 1 84 ILE HA 6.300 . 6.300 4.711 3.779 5.739 . 0 0 "[ . 1 . 2]" 1
575 1 44 ALA MB 1 84 ILE MD 4.640 . 4.640 2.329 1.964 3.250 . 0 0 "[ . 1 . 2]" 1
576 1 44 ALA MB 1 84 ILE QG 5.370 . 5.370 2.538 1.801 3.405 . 0 0 "[ . 1 . 2]" 1
577 1 44 ALA MB 1 84 ILE MG 4.810 . 4.810 2.843 2.297 3.334 . 0 0 "[ . 1 . 2]" 1
578 1 45 ALA H 1 46 ASP H 5.120 . 5.120 2.689 2.571 2.791 . 0 0 "[ . 1 . 2]" 1
579 1 45 ALA H 1 48 ILE MD 6.300 . 6.300 4.555 3.513 5.714 . 0 0 "[ . 1 . 2]" 1
580 1 45 ALA H 1 84 ILE QG 6.100 . 6.100 3.840 3.381 4.258 . 0 0 "[ . 1 . 2]" 1
581 1 45 ALA H 1 84 ILE MG 6.300 . 6.300 4.014 2.984 5.107 . 0 0 "[ . 1 . 2]" 1
582 1 45 ALA HA 1 48 ILE H 6.140 . 6.140 3.393 3.066 3.760 . 0 0 "[ . 1 . 2]" 1
583 1 45 ALA HA 1 48 ILE HB 5.590 . 5.590 2.827 2.505 3.121 . 0 0 "[ . 1 . 2]" 1
584 1 45 ALA HA 1 48 ILE MD 5.430 . 5.430 2.877 1.652 4.495 . 0 0 "[ . 1 . 2]" 1
585 1 45 ALA HA 1 48 ILE MG 6.280 . 6.280 4.118 3.818 4.360 . 0 0 "[ . 1 . 2]" 1
586 1 45 ALA HA 1 49 LYS H 6.300 . 6.300 4.270 4.024 4.763 . 0 0 "[ . 1 . 2]" 1
587 1 45 ALA HA 1 84 ILE HG12 6.300 . 6.300 5.052 4.512 6.334 0.034 10 0 "[ . 1 . 2]" 1
588 1 45 ALA HA 1 84 ILE HG13 6.300 . 6.300 6.152 4.805 6.611 0.311 8 0 "[ . 1 . 2]" 1
589 1 45 ALA HA 1 84 ILE MG 6.220 . 6.220 3.427 2.455 4.483 . 0 0 "[ . 1 . 2]" 1
590 1 45 ALA HA 1 88 LEU MD1 6.280 . 6.280 3.961 2.045 5.194 . 0 0 "[ . 1 . 2]" 1
591 1 45 ALA HA 1 88 LEU MD2 5.230 . 5.230 2.907 1.976 3.716 . 0 0 "[ . 1 . 2]" 1
592 1 45 ALA HA 1 88 LEU HG 6.300 . 6.300 4.709 3.450 6.306 0.006 12 0 "[ . 1 . 2]" 1
593 1 45 ALA MB 1 46 ASP H 4.920 . 4.920 2.747 2.633 2.850 . 0 0 "[ . 1 . 2]" 1
594 1 45 ALA MB 1 46 ASP HA 5.810 . 5.810 4.003 3.908 4.117 . 0 0 "[ . 1 . 2]" 1
595 1 45 ALA MB 1 46 ASP HB2 5.870 . 5.870 4.616 4.136 4.944 . 0 0 "[ . 1 . 2]" 1
596 1 45 ALA MB 1 46 ASP QB 5.170 . 5.170 4.347 3.897 4.627 . 0 0 "[ . 1 . 2]" 1
597 1 45 ALA MB 1 46 ASP HB3 5.870 . 5.870 5.317 4.556 5.634 . 0 0 "[ . 1 . 2]" 1
598 1 45 ALA MB 1 84 ILE HA 5.880 . 5.880 3.805 2.972 5.124 . 0 0 "[ . 1 . 2]" 1
599 1 45 ALA MB 1 84 ILE MG 4.800 . 4.800 3.430 2.060 4.741 . 0 0 "[ . 1 . 2]" 1
600 1 45 ALA MB 1 87 GLU QB 5.520 . 5.520 3.245 2.375 4.227 . 0 0 "[ . 1 . 2]" 1
601 1 45 ALA MB 1 87 GLU QG 4.970 . 4.970 3.176 2.049 4.575 . 0 0 "[ . 1 . 2]" 1
602 1 45 ALA MB 1 88 LEU H 6.300 . 6.300 5.466 4.624 6.395 0.095 19 0 "[ . 1 . 2]" 1
603 1 45 ALA MB 1 88 LEU MD2 4.490 . 4.490 2.893 1.859 3.895 . 0 0 "[ . 1 . 2]" 1
604 1 46 ASP H 1 47 LYS H 4.330 . 4.330 2.676 2.467 2.844 . 0 0 "[ . 1 . 2]" 1
605 1 46 ASP H 1 47 LYS QB 6.300 . 6.300 4.698 4.361 4.877 . 0 0 "[ . 1 . 2]" 1
606 1 46 ASP H 1 47 LYS QE 6.300 . 6.300 5.500 4.691 6.484 0.184 9 0 "[ . 1 . 2]" 1
607 1 46 ASP H 1 48 ILE H 6.180 . 6.180 4.084 3.912 4.237 . 0 0 "[ . 1 . 2]" 1
608 1 46 ASP H 1 48 ILE HB 6.300 . 6.300 5.285 4.962 5.683 . 0 0 "[ . 1 . 2]" 1
609 1 46 ASP H 1 49 LYS QB 6.300 . 6.300 4.652 4.416 5.153 . 0 0 "[ . 1 . 2]" 1
610 1 46 ASP HA 1 47 LYS QD 5.630 . 5.630 5.120 4.329 5.730 0.100 13 0 "[ . 1 . 2]" 1
611 1 46 ASP HA 1 49 LYS H 5.500 . 5.500 3.419 3.079 3.761 . 0 0 "[ . 1 . 2]" 1
612 1 46 ASP HA 1 49 LYS QB 5.070 . 5.070 2.525 2.252 2.972 . 0 0 "[ . 1 . 2]" 1
613 1 46 ASP HA 1 49 LYS QG 6.110 . 6.110 4.283 2.776 5.041 . 0 0 "[ . 1 . 2]" 1
614 1 46 ASP HA 1 50 LYS H 6.300 . 6.300 4.516 4.090 5.609 . 0 0 "[ . 1 . 2]" 1
615 1 46 ASP QB 1 47 LYS QG 6.100 . 6.100 3.897 2.900 5.246 . 0 0 "[ . 1 . 2]" 1
616 1 46 ASP QB 1 49 LYS H 4.780 . 4.780 4.829 4.704 4.970 0.190 13 0 "[ . 1 . 2]" 1
617 1 46 ASP HB2 1 47 LYS H 5.740 . 5.740 3.066 2.478 4.024 . 0 0 "[ . 1 . 2]" 1
618 1 46 ASP HB3 1 47 LYS H 5.740 . 5.740 3.286 2.578 3.802 . 0 0 "[ . 1 . 2]" 1
619 1 47 LYS H 1 47 LYS QE 6.300 . 6.300 4.065 2.943 4.734 . 0 0 "[ . 1 . 2]" 1
620 1 47 LYS H 1 48 ILE H 5.390 . 5.390 2.592 2.478 2.735 . 0 0 "[ . 1 . 2]" 1
621 1 47 LYS H 1 48 ILE MG 6.300 . 6.300 5.923 5.761 6.083 . 0 0 "[ . 1 . 2]" 1
622 1 47 LYS H 1 49 LYS H 6.300 . 6.300 3.961 3.772 4.212 . 0 0 "[ . 1 . 2]" 1
623 1 47 LYS H 1 50 LYS QD 5.810 . 5.810 5.078 4.166 5.872 0.062 8 0 "[ . 1 . 2]" 1
624 1 47 LYS HA 1 50 LYS QB 4.640 . 4.640 3.283 2.039 4.522 . 0 0 "[ . 1 . 2]" 1
625 1 47 LYS HA 1 50 LYS QD 5.280 . 5.280 3.183 2.152 4.031 . 0 0 "[ . 1 . 2]" 1
626 1 47 LYS HA 1 50 LYS QE 5.720 . 5.720 4.471 1.947 5.765 0.045 14 0 "[ . 1 . 2]" 1
627 1 47 LYS QB 1 48 ILE H 5.180 . 5.180 2.731 2.459 2.970 . 0 0 "[ . 1 . 2]" 1
628 1 47 LYS QG 1 48 ILE H 6.300 . 6.300 4.325 3.848 4.761 . 0 0 "[ . 1 . 2]" 1
629 1 48 ILE H 1 49 LYS H 5.020 . 5.020 2.535 2.444 2.673 . 0 0 "[ . 1 . 2]" 1
630 1 48 ILE H 1 50 LYS H 6.150 . 6.150 4.158 3.695 4.572 . 0 0 "[ . 1 . 2]" 1
631 1 48 ILE HA 1 51 GLN H 6.300 . 6.300 3.543 3.085 3.931 . 0 0 "[ . 1 . 2]" 1
632 1 48 ILE HA 1 51 GLN QB 6.100 . 6.100 4.824 3.958 5.850 . 0 0 "[ . 1 . 2]" 1
633 1 48 ILE HA 1 52 GLY H 6.300 . 6.300 3.372 2.271 4.690 . 0 0 "[ . 1 . 2]" 1
634 1 48 ILE HA 1 53 CYS H 5.840 . 5.840 2.512 1.659 4.321 . 0 0 "[ . 1 . 2]" 1
635 1 48 ILE HA 1 53 CYS QB 6.100 . 6.100 3.705 2.401 4.530 . 0 0 "[ . 1 . 2]" 1
636 1 48 ILE HB 1 49 LYS H 6.130 . 6.130 2.798 2.599 3.000 . 0 0 "[ . 1 . 2]" 1
637 1 48 ILE HB 1 50 LYS H 6.300 . 6.300 5.164 4.880 5.428 . 0 0 "[ . 1 . 2]" 1
638 1 48 ILE HB 1 51 GLN H 6.300 . 6.300 5.681 5.292 6.167 . 0 0 "[ . 1 . 2]" 1
639 1 48 ILE HB 1 52 GLY QA 6.100 . 6.100 4.428 4.078 5.336 . 0 0 "[ . 1 . 2]" 1
640 1 48 ILE MD 1 49 LYS H 6.100 . 6.100 4.633 4.457 4.981 . 0 0 "[ . 1 . 2]" 1
641 1 48 ILE MD 1 52 GLY QA 6.100 . 6.100 4.026 2.626 5.007 . 0 0 "[ . 1 . 2]" 1
642 1 48 ILE MD 1 53 CYS QB 6.100 . 6.100 2.850 1.647 5.022 . 0 0 "[ . 1 . 2]" 1
643 1 48 ILE MD 1 88 LEU QB 5.040 . 5.040 4.223 3.254 5.089 0.049 11 0 "[ . 1 . 2]" 1
644 1 48 ILE MD 1 88 LEU MD1 4.560 . 4.560 3.146 1.608 4.630 0.070 16 0 "[ . 1 . 2]" 1
645 1 48 ILE QG 1 88 LEU QB 5.390 . 5.390 4.951 3.666 5.634 0.244 15 0 "[ . 1 . 2]" 1
646 1 48 ILE MG 1 49 LYS H 5.380 . 5.380 3.750 3.520 4.049 . 0 0 "[ . 1 . 2]" 1
647 1 48 ILE MG 1 49 LYS HA 5.800 . 5.800 3.836 3.506 4.218 . 0 0 "[ . 1 . 2]" 1
648 1 48 ILE MG 1 51 GLN H 6.300 . 6.300 4.766 4.319 5.308 . 0 0 "[ . 1 . 2]" 1
649 1 48 ILE MG 1 52 GLY QA 5.780 . 5.780 2.186 1.790 3.200 . 0 0 "[ . 1 . 2]" 1
650 1 48 ILE MG 1 53 CYS H 5.920 . 5.920 3.028 1.762 5.121 . 0 0 "[ . 1 . 2]" 1
651 1 48 ILE MG 1 53 CYS HB2 6.300 . 6.300 4.506 2.975 6.260 . 0 0 "[ . 1 . 2]" 1
652 1 48 ILE MG 1 53 CYS HB3 6.300 . 6.300 5.117 3.213 5.833 . 0 0 "[ . 1 . 2]" 1
653 1 49 LYS H 1 49 LYS QD 4.950 . 4.950 4.500 3.723 4.790 . 0 0 "[ . 1 . 2]" 1
654 1 49 LYS H 1 50 LYS H 5.090 . 5.090 2.662 2.415 2.932 . 0 0 "[ . 1 . 2]" 1
655 1 49 LYS H 1 50 LYS HA 6.300 . 6.300 5.309 5.063 5.518 . 0 0 "[ . 1 . 2]" 1
656 1 49 LYS H 1 88 LEU MD2 6.300 . 6.300 4.884 3.636 5.538 . 0 0 "[ . 1 . 2]" 1
657 1 49 LYS HA 1 49 LYS QE 6.300 . 6.300 4.437 1.767 5.287 . 0 0 "[ . 1 . 2]" 1
658 1 49 LYS HA 1 51 GLN H 6.300 . 6.300 4.558 3.973 5.254 . 0 0 "[ . 1 . 2]" 1
659 1 49 LYS QB 1 50 LYS H 5.020 . 5.020 2.714 2.519 2.978 . 0 0 "[ . 1 . 2]" 1
660 1 49 LYS QB 1 51 GLN H 6.300 . 6.300 4.823 4.528 5.142 . 0 0 "[ . 1 . 2]" 1
661 1 49 LYS QG 1 50 LYS H 6.300 . 6.300 3.890 3.567 4.738 . 0 0 "[ . 1 . 2]" 1
662 1 49 LYS QG 1 50 LYS HA 6.230 . 6.230 4.102 3.541 5.840 . 0 0 "[ . 1 . 2]" 1
663 1 50 LYS H 1 50 LYS QD 5.620 . 5.620 3.379 2.051 4.188 . 0 0 "[ . 1 . 2]" 1
664 1 50 LYS H 1 50 LYS QE 6.300 . 6.300 4.608 2.748 5.833 . 0 0 "[ . 1 . 2]" 1
665 1 50 LYS H 1 51 GLN H 5.230 . 5.230 2.539 2.357 2.705 . 0 0 "[ . 1 . 2]" 1
666 1 50 LYS H 1 52 GLY H 6.300 . 6.300 4.947 3.600 6.331 0.031 3 0 "[ . 1 . 2]" 1
667 1 50 LYS HA 1 50 LYS QE 6.300 . 6.300 4.396 4.010 4.911 . 0 0 "[ . 1 . 2]" 1
668 1 50 LYS QB 1 51 GLN H 5.680 . 5.680 2.831 2.388 3.757 . 0 0 "[ . 1 . 2]" 1
669 1 50 LYS QB 1 51 GLN QG 6.100 . 6.100 4.250 2.127 5.739 . 0 0 "[ . 1 . 2]" 1
670 1 51 GLN H 1 52 GLY H 5.440 . 5.440 2.854 1.692 4.094 . 0 0 "[ . 1 . 2]" 1
671 1 51 GLN H 1 53 CYS H 6.300 . 6.300 4.859 3.662 6.143 . 0 0 "[ . 1 . 2]" 1
672 1 51 GLN QB 1 53 CYS H 6.100 . 6.100 4.796 3.044 6.176 0.076 3 0 "[ . 1 . 2]" 1
673 1 51 GLN HB2 1 52 GLY H 6.300 . 6.300 3.691 2.082 4.504 . 0 0 "[ . 1 . 2]" 1
674 1 51 GLN HB3 1 52 GLY H 6.300 . 6.300 3.442 2.027 4.479 . 0 0 "[ . 1 . 2]" 1
675 1 51 GLN QG 1 52 GLY H 6.100 . 6.100 3.461 2.331 4.699 . 0 0 "[ . 1 . 2]" 1
676 1 51 GLN QG 1 53 CYS H 6.100 . 6.100 5.009 3.280 5.903 . 0 0 "[ . 1 . 2]" 1
677 1 52 GLY H 1 53 CYS H 5.820 . 5.820 3.535 1.845 4.677 . 0 0 "[ . 1 . 2]" 1
678 1 52 GLY H 1 53 CYS HA 6.300 . 6.300 4.972 3.914 5.788 . 0 0 "[ . 1 . 2]" 1
679 1 52 GLY QA 1 53 CYS HA 6.100 . 6.100 4.166 3.928 4.565 . 0 0 "[ . 1 . 2]" 1
680 1 52 GLY QA 1 53 CYS QB 5.890 . 5.890 4.311 3.991 4.567 . 0 0 "[ . 1 . 2]" 1
681 1 52 GLY QA 1 88 LEU MD1 6.100 . 6.100 4.901 3.960 5.854 . 0 0 "[ . 1 . 2]" 1
682 1 53 CYS HA 1 55 ARG H 6.300 . 6.300 3.695 3.352 4.326 . 0 0 "[ . 1 . 2]" 1
683 1 53 CYS QB 1 56 VAL HA 5.990 . 5.990 4.577 3.632 5.408 . 0 0 "[ . 1 . 2]" 1
684 1 53 CYS HB2 1 55 ARG H 6.300 . 6.300 4.139 3.105 5.057 . 0 0 "[ . 1 . 2]" 1
685 1 53 CYS HB2 1 56 VAL MG1 6.300 . 6.300 5.492 4.441 6.366 0.066 1 0 "[ . 1 . 2]" 1
686 1 53 CYS HB2 1 56 VAL MG2 6.300 . 6.300 3.238 2.329 4.159 . 0 0 "[ . 1 . 2]" 1
687 1 53 CYS HB3 1 55 ARG H 6.300 . 6.300 4.062 2.987 5.503 . 0 0 "[ . 1 . 2]" 1
688 1 53 CYS HB3 1 56 VAL MG1 6.300 . 6.300 5.612 4.579 6.429 0.129 11 0 "[ . 1 . 2]" 1
689 1 53 CYS HB3 1 56 VAL MG2 6.300 . 6.300 3.525 2.167 4.589 . 0 0 "[ . 1 . 2]" 1
690 1 54 LYS H 1 55 ARG H 6.050 . 6.050 2.593 1.998 3.614 . 0 0 "[ . 1 . 2]" 1
691 1 54 LYS H 1 108 LEU MD1 6.300 . 6.300 5.467 3.319 6.377 0.077 10 0 "[ . 1 . 2]" 1
692 1 54 LYS HA 1 108 LEU QB 6.100 . 6.100 3.010 1.895 4.509 . 0 0 "[ . 1 . 2]" 1
693 1 54 LYS HA 1 108 LEU MD1 6.300 . 6.300 4.520 2.727 6.242 . 0 0 "[ . 1 . 2]" 1
694 1 54 LYS HA 1 108 LEU HG 6.300 . 6.300 5.032 3.374 6.526 0.226 3 0 "[ . 1 . 2]" 1
695 1 54 LYS QB 1 110 LEU MD1 6.100 . 6.100 5.259 3.454 6.251 0.151 4 0 "[ . 1 . 2]" 1
696 1 54 LYS HB2 1 55 ARG H 6.300 . 6.300 3.743 2.214 4.431 . 0 0 "[ . 1 . 2]" 1
697 1 54 LYS HB2 1 110 LEU H 6.300 . 6.300 5.157 2.912 6.406 0.106 7 0 "[ . 1 . 2]" 1
698 1 54 LYS HB3 1 55 ARG H 6.300 . 6.300 3.973 2.414 4.595 . 0 0 "[ . 1 . 2]" 1
699 1 54 LYS HB3 1 110 LEU H 6.300 . 6.300 4.824 2.966 6.351 0.051 15 0 "[ . 1 . 2]" 1
700 1 54 LYS QD 1 109 GLU HA 6.300 . 6.300 4.799 3.274 6.470 0.170 12 0 "[ . 1 . 2]" 1
701 1 54 LYS QG 1 55 ARG H 6.300 . 6.300 3.694 2.194 4.947 . 0 0 "[ . 1 . 2]" 1
702 1 54 LYS QG 1 109 GLU HA 6.300 . 6.300 4.268 1.963 6.196 . 0 0 "[ . 1 . 2]" 1
703 1 55 ARG H 1 56 VAL HA 5.680 . 5.680 4.840 4.477 5.177 . 0 0 "[ . 1 . 2]" 1
704 1 55 ARG H 1 56 VAL MG1 6.300 . 6.300 6.135 5.782 6.326 0.026 15 0 "[ . 1 . 2]" 1
705 1 55 ARG H 1 107 ILE MG 6.300 . 6.300 5.616 4.893 6.034 . 0 0 "[ . 1 . 2]" 1
706 1 55 ARG H 1 108 LEU MD1 6.300 . 6.300 5.266 3.868 6.320 0.020 7 0 "[ . 1 . 2]" 1
707 1 55 ARG HA 1 56 VAL HA 6.300 . 6.300 4.466 4.421 4.508 . 0 0 "[ . 1 . 2]" 1
708 1 55 ARG HA 1 56 VAL HB 6.300 . 6.300 4.640 4.507 4.762 . 0 0 "[ . 1 . 2]" 1
709 1 55 ARG HA 1 56 VAL MG1 6.300 . 6.300 5.546 5.470 5.600 . 0 0 "[ . 1 . 2]" 1
710 1 55 ARG HA 1 56 VAL MG2 6.300 . 6.300 3.874 3.667 4.040 . 0 0 "[ . 1 . 2]" 1
711 1 55 ARG HA 1 57 LYS QG 6.100 . 6.100 5.008 3.985 5.705 . 0 0 "[ . 1 . 2]" 1
712 1 55 ARG HA 1 106 VAL MG1 6.300 . 6.300 5.399 4.916 6.115 . 0 0 "[ . 1 . 2]" 1
713 1 55 ARG HA 1 107 ILE HA 6.160 . 6.160 2.708 1.946 3.171 . 0 0 "[ . 1 . 2]" 1
714 1 55 ARG HA 1 107 ILE MD 6.300 . 6.300 3.621 1.991 5.756 . 0 0 "[ . 1 . 2]" 1
715 1 55 ARG HA 1 108 LEU H 6.300 . 6.300 3.258 2.864 3.916 . 0 0 "[ . 1 . 2]" 1
716 1 55 ARG HA 1 108 LEU MD1 6.300 . 6.300 5.238 4.556 6.393 0.093 10 0 "[ . 1 . 2]" 1
717 1 55 ARG QB 1 56 VAL MG2 6.100 . 6.100 4.775 4.517 4.971 . 0 0 "[ . 1 . 2]" 1
718 1 55 ARG HB2 1 56 VAL H 6.300 . 6.300 4.298 3.392 4.443 . 0 0 "[ . 1 . 2]" 1
719 1 55 ARG HB3 1 56 VAL H 6.300 . 6.300 4.057 3.186 4.403 . 0 0 "[ . 1 . 2]" 1
720 1 55 ARG QD 1 107 ILE MD 6.300 . 6.300 3.996 2.956 6.247 . 0 0 "[ . 1 . 2]" 1
721 1 55 ARG QG 1 56 VAL HA 6.100 . 6.100 4.583 3.747 6.022 . 0 0 "[ . 1 . 2]" 1
722 1 55 ARG QG 1 107 ILE HA 6.100 . 6.100 3.862 3.268 5.380 . 0 0 "[ . 1 . 2]" 1
723 1 55 ARG HG2 1 56 VAL H 6.300 . 6.300 3.954 3.097 5.297 . 0 0 "[ . 1 . 2]" 1
724 1 55 ARG HG3 1 56 VAL H 6.300 . 6.300 4.061 3.302 5.504 . 0 0 "[ . 1 . 2]" 1
725 1 56 VAL H 1 57 LYS QG 6.100 . 6.100 4.354 3.821 5.000 . 0 0 "[ . 1 . 2]" 1
726 1 56 VAL H 1 105 GLU HA 6.300 . 6.300 4.799 4.306 5.377 . 0 0 "[ . 1 . 2]" 1
727 1 56 VAL H 1 106 VAL H 5.840 . 5.840 3.318 3.022 3.779 . 0 0 "[ . 1 . 2]" 1
728 1 56 VAL H 1 106 VAL HB 6.300 . 6.300 3.298 2.767 4.003 . 0 0 "[ . 1 . 2]" 1
729 1 56 VAL H 1 106 VAL O 2.520 . 2.520 2.021 1.917 2.206 . 0 0 "[ . 1 . 2]" 1
730 1 56 VAL H 1 107 ILE HA 6.300 . 6.300 3.620 3.130 3.971 . 0 0 "[ . 1 . 2]" 1
731 1 56 VAL H 1 108 LEU MD1 6.300 . 6.300 4.638 3.997 5.745 . 0 0 "[ . 1 . 2]" 1
732 1 56 VAL H 1 108 LEU MD2 6.300 . 6.300 5.481 5.001 5.899 . 0 0 "[ . 1 . 2]" 1
733 1 56 VAL H 1 108 LEU HG 6.300 . 6.300 4.294 3.846 5.011 . 0 0 "[ . 1 . 2]" 1
734 1 56 VAL HA 1 57 LYS QB 6.300 . 6.300 4.389 4.136 4.541 . 0 0 "[ . 1 . 2]" 1
735 1 56 VAL HA 1 105 GLU QG 6.300 . 6.300 5.861 4.923 6.545 0.245 1 0 "[ . 1 . 2]" 1
736 1 56 VAL HB 1 57 LYS H 6.300 . 6.300 4.108 3.899 4.367 . 0 0 "[ . 1 . 2]" 1
737 1 56 VAL HB 1 58 ILE MD 5.130 . 5.130 4.869 4.460 5.169 0.039 10 0 "[ . 1 . 2]" 1
738 1 56 VAL HB 1 58 ILE QG 6.100 . 6.100 4.466 4.123 4.872 . 0 0 "[ . 1 . 2]" 1
739 1 56 VAL HB 1 84 ILE MD 6.300 . 6.300 4.534 3.486 6.161 . 0 0 "[ . 1 . 2]" 1
740 1 56 VAL HB 1 84 ILE MG 6.030 . 6.030 4.558 3.494 5.650 . 0 0 "[ . 1 . 2]" 1
741 1 56 VAL HB 1 106 VAL H 6.300 . 6.300 3.152 2.626 4.027 . 0 0 "[ . 1 . 2]" 1
742 1 56 VAL HB 1 106 VAL MG1 5.200 . 5.200 3.444 3.051 3.755 . 0 0 "[ . 1 . 2]" 1
743 1 56 VAL HB 1 108 LEU MD1 6.300 . 6.300 3.913 3.224 4.962 . 0 0 "[ . 1 . 2]" 1
744 1 56 VAL HB 1 108 LEU MD2 6.300 . 6.300 4.968 4.273 5.559 . 0 0 "[ . 1 . 2]" 1
745 1 56 VAL HB 1 108 LEU HG 5.070 . 5.070 4.158 3.593 4.499 . 0 0 "[ . 1 . 2]" 1
746 1 56 VAL MG1 1 57 LYS H 5.610 . 5.610 2.605 2.295 3.069 . 0 0 "[ . 1 . 2]" 1
747 1 56 VAL MG1 1 57 LYS HA 6.300 . 6.300 3.778 3.456 4.216 . 0 0 "[ . 1 . 2]" 1
748 1 56 VAL MG1 1 106 VAL H 5.530 . 5.530 3.702 2.860 4.424 . 0 0 "[ . 1 . 2]" 1
749 1 56 VAL MG1 1 108 LEU H 6.300 . 6.300 6.373 5.962 6.537 0.237 13 0 "[ . 1 . 2]" 1
750 1 56 VAL MG2 1 57 LYS H 6.080 . 6.080 4.091 3.934 4.317 . 0 0 "[ . 1 . 2]" 1
751 1 56 VAL N 1 106 VAL O 3.360 . 3.360 2.948 2.849 3.066 . 0 0 "[ . 1 . 2]" 1
752 1 56 VAL O 1 106 VAL H 2.520 . 2.520 1.978 1.878 2.122 . 0 0 "[ . 1 . 2]" 1
753 1 56 VAL O 1 106 VAL N 3.360 . 3.360 2.814 2.742 2.875 . 0 0 "[ . 1 . 2]" 1
754 1 57 LYS H 1 57 LYS QE 6.300 . 6.300 5.072 3.965 5.632 . 0 0 "[ . 1 . 2]" 1
755 1 57 LYS H 1 58 ILE H 6.300 . 6.300 4.222 4.092 4.399 . 0 0 "[ . 1 . 2]" 1
756 1 57 LYS H 1 106 VAL H 6.300 . 6.300 4.696 4.400 4.950 . 0 0 "[ . 1 . 2]" 1
757 1 57 LYS HA 1 58 ILE MD 6.300 . 6.300 5.179 4.635 5.444 . 0 0 "[ . 1 . 2]" 1
758 1 57 LYS HA 1 58 ILE QG 6.100 . 6.100 3.939 3.493 4.133 . 0 0 "[ . 1 . 2]" 1
759 1 57 LYS HA 1 105 GLU HA 5.660 . 5.660 2.280 1.908 2.711 . 0 0 "[ . 1 . 2]" 1
760 1 57 LYS HA 1 105 GLU QG 6.300 . 6.300 3.035 2.378 4.583 . 0 0 "[ . 1 . 2]" 1
761 1 57 LYS HA 1 106 VAL H 6.300 . 6.300 3.346 2.867 3.635 . 0 0 "[ . 1 . 2]" 1
762 1 57 LYS HA 1 106 VAL HA 6.300 . 6.300 6.187 5.738 6.462 0.162 16 0 "[ . 1 . 2]" 1
763 1 57 LYS QB 1 58 ILE H 5.440 . 5.440 3.373 2.808 3.566 . 0 0 "[ . 1 . 2]" 1
764 1 57 LYS QB 1 105 GLU HA 6.300 . 6.300 4.175 3.784 4.517 . 0 0 "[ . 1 . 2]" 1
765 1 57 LYS QE 1 105 GLU QG 6.300 . 6.300 4.169 2.904 5.319 . 0 0 "[ . 1 . 2]" 1
766 1 57 LYS QG 1 105 GLU HA 6.100 . 6.100 3.537 2.834 4.308 . 0 0 "[ . 1 . 2]" 1
767 1 57 LYS QG 1 105 GLU QB 5.440 . 5.440 3.300 1.877 4.738 . 0 0 "[ . 1 . 2]" 1
768 1 57 LYS QG 1 105 GLU QG 5.070 . 5.070 2.411 1.901 3.896 . 0 0 "[ . 1 . 2]" 1
769 1 57 LYS QG 1 106 VAL H 6.100 . 6.100 4.426 3.579 4.892 . 0 0 "[ . 1 . 2]" 1
770 1 57 LYS HG2 1 58 ILE H 6.300 . 6.300 4.657 4.158 5.428 . 0 0 "[ . 1 . 2]" 1
771 1 57 LYS HG3 1 58 ILE H 6.300 . 6.300 5.120 4.493 5.657 . 0 0 "[ . 1 . 2]" 1
772 1 58 ILE H 1 58 ILE MD 5.690 . 5.690 3.908 3.552 4.405 . 0 0 "[ . 1 . 2]" 1
773 1 58 ILE H 1 105 GLU HA 5.880 . 5.880 3.024 2.368 3.861 . 0 0 "[ . 1 . 2]" 1
774 1 58 ILE H 1 105 GLU QG 5.550 . 5.550 4.341 3.172 5.727 0.177 14 0 "[ . 1 . 2]" 1
775 1 58 ILE MD 1 59 ARG H 5.940 . 5.940 5.353 4.049 5.517 . 0 0 "[ . 1 . 2]" 1
776 1 58 ILE MD 1 76 TRP HE3 6.300 . 6.300 4.723 3.352 6.046 . 0 0 "[ . 1 . 2]" 1
777 1 58 ILE MD 1 76 TRP HH2 6.300 . 6.300 4.836 3.335 5.818 . 0 0 "[ . 1 . 2]" 1
778 1 58 ILE MD 1 77 ALA HA 6.300 . 6.300 3.009 2.071 4.280 . 0 0 "[ . 1 . 2]" 1
779 1 58 ILE MD 1 80 VAL MG2 6.300 . 6.300 3.340 1.844 3.923 . 0 0 "[ . 1 . 2]" 1
780 1 58 ILE MD 1 81 ALA H 6.300 . 6.300 3.462 2.854 5.107 . 0 0 "[ . 1 . 2]" 1
781 1 58 ILE MD 1 81 ALA HA 5.480 . 5.480 3.424 2.526 4.920 . 0 0 "[ . 1 . 2]" 1
782 1 58 ILE MD 1 81 ALA MB 4.690 . 4.690 2.874 2.220 4.711 0.021 7 0 "[ . 1 . 2]" 1
783 1 58 ILE MD 1 84 ILE MD 5.570 . 5.570 3.549 2.604 4.460 . 0 0 "[ . 1 . 2]" 1
784 1 58 ILE MD 1 106 VAL H 6.250 . 6.250 4.798 4.374 5.713 . 0 0 "[ . 1 . 2]" 1
785 1 58 ILE QG 1 81 ALA MB 5.320 . 5.320 4.432 3.709 5.347 0.027 13 0 "[ . 1 . 2]" 1
786 1 58 ILE QG 1 104 VAL HB 6.100 . 6.100 3.834 3.239 4.372 . 0 0 "[ . 1 . 2]" 1
787 1 58 ILE HG12 1 59 ARG H 6.300 . 6.300 4.669 4.467 5.275 . 0 0 "[ . 1 . 2]" 1
788 1 58 ILE HG13 1 59 ARG H 6.300 . 6.300 5.165 5.067 5.793 . 0 0 "[ . 1 . 2]" 1
789 1 58 ILE MG 1 59 ARG H 4.950 . 4.950 3.143 2.893 3.253 . 0 0 "[ . 1 . 2]" 1
790 1 58 ILE MG 1 59 ARG HA 6.300 . 6.300 3.752 3.394 3.957 . 0 0 "[ . 1 . 2]" 1
791 1 58 ILE MG 1 59 ARG QB 6.300 . 6.300 4.685 4.414 4.856 . 0 0 "[ . 1 . 2]" 1
792 1 58 ILE MG 1 60 PHE QD 6.300 . 6.300 4.729 3.678 5.295 . 0 0 "[ . 1 . 2]" 1
793 1 58 ILE MG 1 76 TRP HE3 5.690 . 5.690 3.847 2.905 4.719 . 0 0 "[ . 1 . 2]" 1
794 1 58 ILE MG 1 76 TRP HZ3 6.300 . 6.300 2.830 1.912 3.959 . 0 0 "[ . 1 . 2]" 1
795 1 58 ILE MG 1 77 ALA H 6.300 . 6.300 4.821 4.283 5.505 . 0 0 "[ . 1 . 2]" 1
796 1 58 ILE MG 1 77 ALA HA 6.300 . 6.300 3.130 2.442 3.715 . 0 0 "[ . 1 . 2]" 1
797 1 58 ILE MG 1 77 ALA MB 5.320 . 5.320 2.280 1.750 3.040 . 0 0 "[ . 1 . 2]" 1
798 1 58 ILE MG 1 80 VAL MG2 6.300 . 6.300 4.171 2.907 4.790 . 0 0 "[ . 1 . 2]" 1
799 1 58 ILE MG 1 102 PHE QD 6.300 . 6.300 4.054 2.363 4.832 . 0 0 "[ . 1 . 2]" 1
800 1 58 ILE MG 1 104 VAL H 6.300 . 6.300 3.407 2.973 4.501 . 0 0 "[ . 1 . 2]" 1
801 1 58 ILE MG 1 104 VAL HB 6.300 . 6.300 3.057 2.725 3.709 . 0 0 "[ . 1 . 2]" 1
802 1 58 ILE MG 1 104 VAL MG1 5.540 . 5.540 4.046 3.542 4.717 . 0 0 "[ . 1 . 2]" 1
803 1 58 ILE MG 1 104 VAL QG 4.840 . 4.840 3.205 2.732 3.567 . 0 0 "[ . 1 . 2]" 1
804 1 58 ILE MG 1 104 VAL MG2 5.540 . 5.540 3.375 2.841 3.898 . 0 0 "[ . 1 . 2]" 1
805 1 58 ILE O 1 104 VAL H 2.520 . 2.520 2.008 1.921 2.161 . 0 0 "[ . 1 . 2]" 1
806 1 58 ILE O 1 104 VAL N 3.360 . 3.360 2.889 2.754 3.076 . 0 0 "[ . 1 . 2]" 1
807 1 59 ARG H 1 59 ARG HG2 5.720 . 5.720 4.108 2.646 4.737 . 0 0 "[ . 1 . 2]" 1
808 1 59 ARG H 1 59 ARG QG 4.860 . 4.860 3.325 2.573 4.163 . 0 0 "[ . 1 . 2]" 1
809 1 59 ARG H 1 59 ARG HG3 5.720 . 5.720 3.635 2.669 4.724 . 0 0 "[ . 1 . 2]" 1
810 1 59 ARG H 1 60 PHE H 6.300 . 6.300 4.418 4.319 4.491 . 0 0 "[ . 1 . 2]" 1
811 1 59 ARG H 1 104 VAL HB 6.300 . 6.300 6.219 5.134 6.499 0.199 2 0 "[ . 1 . 2]" 1
812 1 59 ARG HA 1 103 GLU HA 5.910 . 5.910 2.602 2.045 3.033 . 0 0 "[ . 1 . 2]" 1
813 1 59 ARG HA 1 104 VAL H 6.300 . 6.300 3.833 3.313 4.139 . 0 0 "[ . 1 . 2]" 1
814 1 59 ARG QB 1 60 PHE H 5.180 . 5.180 3.131 2.566 3.800 . 0 0 "[ . 1 . 2]" 1
815 1 59 ARG QB 1 60 PHE HA 6.300 . 6.300 4.297 3.939 4.672 . 0 0 "[ . 1 . 2]" 1
816 1 59 ARG QB 1 61 GLU H 6.300 . 6.300 5.724 5.018 6.341 0.041 12 0 "[ . 1 . 2]" 1
817 1 59 ARG QD 1 101 THR MG 6.300 . 6.300 3.961 2.943 6.141 . 0 0 "[ . 1 . 2]" 1
818 1 59 ARG QG 1 60 PHE HA 6.100 . 6.100 5.046 3.427 6.002 . 0 0 "[ . 1 . 2]" 1
819 1 59 ARG QG 1 103 GLU HA 6.100 . 6.100 3.858 3.039 4.841 . 0 0 "[ . 1 . 2]" 1
820 1 59 ARG QG 1 104 VAL H 6.100 . 6.100 5.005 3.450 6.091 . 0 0 "[ . 1 . 2]" 1
821 1 59 ARG HG2 1 60 PHE H 6.300 . 6.300 3.791 2.437 4.716 . 0 0 "[ . 1 . 2]" 1
822 1 59 ARG HG3 1 60 PHE H 6.300 . 6.300 4.277 2.532 5.290 . 0 0 "[ . 1 . 2]" 1
823 1 60 PHE H 1 101 THR MG 6.080 . 6.080 3.074 2.291 4.874 . 0 0 "[ . 1 . 2]" 1
824 1 60 PHE H 1 102 PHE H 5.690 . 5.690 3.457 2.411 4.087 . 0 0 "[ . 1 . 2]" 1
825 1 60 PHE H 1 102 PHE QD 6.300 . 6.300 4.772 3.646 5.845 . 0 0 "[ . 1 . 2]" 1
826 1 60 PHE H 1 103 GLU HA 6.300 . 6.300 3.752 3.359 4.334 . 0 0 "[ . 1 . 2]" 1
827 1 60 PHE H 1 104 VAL H 6.300 . 6.300 5.326 4.906 5.584 . 0 0 "[ . 1 . 2]" 1
828 1 60 PHE HB2 1 61 GLU H 5.930 . 5.930 4.128 3.962 4.369 . 0 0 "[ . 1 . 2]" 1
829 1 60 PHE HB2 1 102 PHE QB 6.100 . 6.100 4.145 3.403 4.941 . 0 0 "[ . 1 . 2]" 1
830 1 60 PHE HB2 1 104 VAL H 6.300 . 6.300 6.234 5.813 6.497 0.197 13 0 "[ . 1 . 2]" 1
831 1 60 PHE HB2 1 104 VAL QG 6.220 . 6.220 5.623 4.609 6.069 . 0 0 "[ . 1 . 2]" 1
832 1 60 PHE HB3 1 61 GLU H 5.690 . 5.690 4.126 3.774 4.249 . 0 0 "[ . 1 . 2]" 1
833 1 60 PHE HB3 1 102 PHE QB 5.600 . 5.600 2.491 1.742 3.269 . 0 0 "[ . 1 . 2]" 1
834 1 60 PHE HB3 1 104 VAL QG 6.220 . 6.220 5.116 4.443 5.662 . 0 0 "[ . 1 . 2]" 1
835 1 60 PHE QD 1 61 GLU H 6.290 . 6.290 3.063 1.939 3.608 . 0 0 "[ . 1 . 2]" 1
836 1 60 PHE QD 1 62 LYS HA 6.300 . 6.300 4.487 3.119 5.747 . 0 0 "[ . 1 . 2]" 1
837 1 60 PHE QD 1 62 LYS QB 6.100 . 6.100 3.816 2.011 5.865 . 0 0 "[ . 1 . 2]" 1
838 1 60 PHE QD 1 62 LYS HG2 6.300 . 6.300 3.946 2.611 5.234 . 0 0 "[ . 1 . 2]" 1
839 1 60 PHE QD 1 62 LYS HG3 6.300 . 6.300 4.600 3.539 6.370 0.070 11 0 "[ . 1 . 2]" 1
840 1 60 PHE QD 1 65 LEU MD1 6.300 . 6.300 4.909 3.090 6.348 0.048 1 0 "[ . 1 . 2]" 1
841 1 60 PHE QD 1 65 LEU QD 5.430 . 5.430 3.750 3.021 4.423 . 0 0 "[ . 1 . 2]" 1
842 1 60 PHE QD 1 65 LEU MD2 6.300 . 6.300 4.079 3.420 5.385 . 0 0 "[ . 1 . 2]" 1
843 1 60 PHE QD 1 73 ALA MB 6.300 . 6.300 3.164 2.280 3.489 . 0 0 "[ . 1 . 2]" 1
844 1 60 PHE QD 1 77 ALA MB 5.260 . 5.260 4.830 3.134 5.297 0.037 16 0 "[ . 1 . 2]" 1
845 1 60 PHE QD 1 101 THR MG 5.550 . 5.550 5.303 4.761 5.613 0.063 17 0 "[ . 1 . 2]" 1
846 1 60 PHE QD 1 102 PHE H 6.300 . 6.300 4.139 3.203 5.222 . 0 0 "[ . 1 . 2]" 1
847 1 60 PHE QD 1 102 PHE QB 5.730 . 5.730 2.520 1.644 4.816 . 0 0 "[ . 1 . 2]" 1
848 1 60 PHE QE 1 62 LYS QG 6.100 . 6.100 3.604 2.159 5.852 . 0 0 "[ . 1 . 2]" 1
849 1 60 PHE QE 1 69 ALA MB 6.300 . 6.300 4.760 3.599 5.508 . 0 0 "[ . 1 . 2]" 1
850 1 60 PHE QE 1 70 ARG HA 6.300 . 6.300 3.925 2.127 5.437 . 0 0 "[ . 1 . 2]" 1
851 1 60 PHE QE 1 73 ALA HA 6.300 . 6.300 4.764 3.315 5.445 . 0 0 "[ . 1 . 2]" 1
852 1 60 PHE QE 1 73 ALA MB 6.050 . 6.050 2.469 1.814 2.841 . 0 0 "[ . 1 . 2]" 1
853 1 60 PHE QE 1 74 LYS H 6.100 . 6.100 5.443 5.057 5.771 . 0 0 "[ . 1 . 2]" 1
854 1 60 PHE QE 1 74 LYS QB 6.300 . 6.300 6.070 5.487 6.529 0.229 11 0 "[ . 1 . 2]" 1
855 1 60 PHE QE 1 102 PHE QB 6.100 . 6.100 4.309 3.458 6.206 0.106 11 0 "[ . 1 . 2]" 1
856 1 60 PHE HZ 1 62 LYS HA 6.300 . 6.300 5.111 3.552 6.420 0.120 11 0 "[ . 1 . 2]" 1
857 1 60 PHE HZ 1 65 LEU QB 5.640 . 5.640 4.475 3.900 5.667 0.027 11 0 "[ . 1 . 2]" 1
858 1 60 PHE HZ 1 73 ALA MB 6.300 . 6.300 3.020 2.596 3.723 . 0 0 "[ . 1 . 2]" 1
859 1 60 PHE O 1 102 PHE H 2.520 . 2.520 2.094 1.916 2.478 . 0 0 "[ . 1 . 2]" 1
860 1 60 PHE O 1 102 PHE N 3.360 . 3.360 2.900 2.688 3.388 0.028 9 0 "[ . 1 . 2]" 1
861 1 61 GLU HA 1 101 THR MG 5.100 . 5.100 3.063 1.983 3.898 . 0 0 "[ . 1 . 2]" 1
862 1 61 GLU QB 1 102 PHE H 6.100 . 6.100 5.490 4.980 5.941 . 0 0 "[ . 1 . 2]" 1
863 1 61 GLU HB2 1 62 LYS H 6.090 . 6.090 4.283 3.856 4.624 . 0 0 "[ . 1 . 2]" 1
864 1 61 GLU HB3 1 62 LYS H 6.090 . 6.090 3.715 2.743 4.457 . 0 0 "[ . 1 . 2]" 1
865 1 61 GLU HG2 1 101 THR MG 6.300 . 6.300 4.503 1.856 6.251 . 0 0 "[ . 1 . 2]" 1
866 1 61 GLU HG3 1 101 THR MG 6.300 . 6.300 4.554 2.497 5.585 . 0 0 "[ . 1 . 2]" 1
867 1 62 LYS H 1 62 LYS QE 6.300 . 6.300 4.605 3.691 5.845 . 0 0 "[ . 1 . 2]" 1
868 1 62 LYS H 1 65 LEU QD 6.220 . 6.220 4.247 3.777 4.955 . 0 0 "[ . 1 . 2]" 1
869 1 62 LYS H 1 101 THR HA 5.380 . 5.380 2.709 1.895 3.845 . 0 0 "[ . 1 . 2]" 1
870 1 62 LYS H 1 101 THR MG 6.300 . 6.300 4.096 2.815 5.173 . 0 0 "[ . 1 . 2]" 1
871 1 62 LYS H 1 102 PHE H 6.300 . 6.300 3.656 2.473 5.263 . 0 0 "[ . 1 . 2]" 1
872 1 62 LYS HA 1 65 LEU H 6.300 . 6.300 4.720 3.610 6.138 . 0 0 "[ . 1 . 2]" 1
873 1 62 LYS HA 1 65 LEU QD 5.520 . 5.520 2.234 1.681 3.475 . 0 0 "[ . 1 . 2]" 1
874 1 62 LYS QB 1 102 PHE H 6.100 . 6.100 3.605 1.900 6.120 0.020 1 0 "[ . 1 . 2]" 1
875 1 62 LYS QD 1 65 LEU H 5.330 . 5.330 4.986 2.889 5.630 0.300 18 0 "[ . 1 . 2]" 1
876 1 62 LYS QD 1 65 LEU QB 5.610 . 5.610 4.778 2.262 5.791 0.181 10 0 "[ . 1 . 2]" 1
877 1 62 LYS QD 1 65 LEU MD1 4.630 . 4.630 2.730 1.868 4.233 . 0 0 "[ . 1 . 2]" 1
878 1 62 LYS QD 1 65 LEU QD 4.060 . 4.060 2.487 1.850 3.237 . 0 0 "[ . 1 . 2]" 1
879 1 62 LYS QD 1 65 LEU MD2 4.630 . 4.630 3.607 1.982 4.690 0.060 15 0 "[ . 1 . 2]" 1
880 1 62 LYS QD 1 70 ARG HA 6.300 . 6.300 3.865 2.174 5.150 . 0 0 "[ . 1 . 2]" 1
881 1 62 LYS QD 1 73 ALA MB 6.300 . 6.300 4.939 2.709 6.272 . 0 0 "[ . 1 . 2]" 1
882 1 62 LYS QE 1 63 LYS QB 5.760 . 5.760 5.308 3.953 6.178 0.418 11 0 "[ . 1 . 2]" 1
883 1 62 LYS QE 1 65 LEU QD 5.300 . 5.300 3.519 1.800 4.574 . 0 0 "[ . 1 . 2]" 1
884 1 62 LYS QE 1 70 ARG QD 6.100 . 6.100 4.386 2.458 6.144 0.044 7 0 "[ . 1 . 2]" 1
885 1 62 LYS QE 1 70 ARG QG 4.680 . 4.680 3.510 2.134 4.626 . 0 0 "[ . 1 . 2]" 1
886 1 62 LYS QG 1 65 LEU QD 6.020 . 6.020 2.758 1.636 3.815 . 0 0 "[ . 1 . 2]" 1
887 1 62 LYS QG 1 73 ALA MB 6.100 . 6.100 4.396 2.591 5.655 . 0 0 "[ . 1 . 2]" 1
888 1 62 LYS HG2 1 102 PHE H 6.300 . 6.300 4.710 2.805 6.163 . 0 0 "[ . 1 . 2]" 1
889 1 62 LYS HG3 1 102 PHE H 6.300 . 6.300 4.507 3.237 6.189 . 0 0 "[ . 1 . 2]" 1
890 1 63 LYS H 1 63 LYS QE 6.300 . 6.300 5.382 3.822 6.390 0.090 4 0 "[ . 1 . 2]" 1
891 1 63 LYS H 1 65 LEU QD 6.220 . 6.220 3.257 2.311 4.485 . 0 0 "[ . 1 . 2]" 1
892 1 63 LYS HA 1 63 LYS QD 5.070 . 5.070 3.655 2.047 4.354 . 0 0 "[ . 1 . 2]" 1
893 1 63 LYS HA 1 63 LYS QE 6.250 . 6.250 4.321 1.823 5.130 . 0 0 "[ . 1 . 2]" 1
894 1 63 LYS HA 1 65 LEU H 5.810 . 5.810 4.279 3.315 5.727 . 0 0 "[ . 1 . 2]" 1
895 1 65 LEU H 1 65 LEU MD1 5.260 . 5.260 2.713 1.599 4.287 . 0 0 "[ . 1 . 2]" 1
896 1 65 LEU H 1 65 LEU QD 4.620 . 4.620 2.446 1.598 3.332 . 0 0 "[ . 1 . 2]" 1
897 1 65 LEU H 1 65 LEU MD2 5.260 . 5.260 3.773 1.794 4.306 . 0 0 "[ . 1 . 2]" 1
898 1 65 LEU H 1 66 ASP H 5.590 . 5.590 4.079 2.441 4.618 . 0 0 "[ . 1 . 2]" 1
899 1 65 LEU QB 1 66 ASP QB 5.890 . 5.890 3.909 2.957 5.083 . 0 0 "[ . 1 . 2]" 1
900 1 65 LEU QB 1 68 ASP H 6.100 . 6.100 5.994 5.736 6.330 0.230 9 0 "[ . 1 . 2]" 1
901 1 65 LEU QB 1 69 ALA H 5.350 . 5.350 4.379 3.767 5.080 . 0 0 "[ . 1 . 2]" 1
902 1 65 LEU QB 1 69 ALA MB 6.100 . 6.100 2.176 1.658 2.793 . 0 0 "[ . 1 . 2]" 1
903 1 65 LEU QB 1 70 ARG H 5.970 . 5.970 3.763 2.631 4.674 . 0 0 "[ . 1 . 2]" 1
904 1 65 LEU QD 1 66 ASP H 5.390 . 5.390 3.459 2.428 4.509 . 0 0 "[ . 1 . 2]" 1
905 1 65 LEU QD 1 69 ALA H 6.220 . 6.220 4.464 3.767 5.611 . 0 0 "[ . 1 . 2]" 1
906 1 65 LEU QD 1 69 ALA MB 5.520 . 5.520 2.580 2.009 3.255 . 0 0 "[ . 1 . 2]" 1
907 1 65 LEU QD 1 70 ARG H 6.220 . 6.220 3.139 2.500 4.793 . 0 0 "[ . 1 . 2]" 1
908 1 65 LEU QD 1 70 ARG QB 5.680 . 5.680 2.534 1.773 4.484 . 0 0 "[ . 1 . 2]" 1
909 1 65 LEU QD 1 73 ALA H 5.840 . 5.840 4.556 3.530 5.416 . 0 0 "[ . 1 . 2]" 1
910 1 65 LEU QD 1 73 ALA MB 4.590 . 4.590 3.074 2.129 3.806 . 0 0 "[ . 1 . 2]" 1
911 1 65 LEU QD 1 74 LYS H 6.220 . 6.220 5.260 4.399 6.250 0.030 17 0 "[ . 1 . 2]" 1
912 1 65 LEU MD1 1 66 ASP H 6.300 . 6.300 3.689 2.447 4.965 . 0 0 "[ . 1 . 2]" 1
913 1 65 LEU MD1 1 69 ALA HA 6.300 . 6.300 5.279 4.129 6.425 0.125 11 0 "[ . 1 . 2]" 1
914 1 65 LEU MD1 1 70 ARG HA 6.300 . 6.300 3.050 1.929 4.391 . 0 0 "[ . 1 . 2]" 1
915 1 65 LEU MD1 1 73 ALA MB 5.820 . 5.820 4.179 2.549 5.437 . 0 0 "[ . 1 . 2]" 1
916 1 65 LEU MD2 1 66 ASP H 6.300 . 6.300 4.379 3.744 5.171 . 0 0 "[ . 1 . 2]" 1
917 1 65 LEU MD2 1 69 ALA HA 6.300 . 6.300 4.904 3.723 6.340 0.040 9 0 "[ . 1 . 2]" 1
918 1 65 LEU MD2 1 70 ARG HA 6.300 . 6.300 3.233 1.881 5.105 . 0 0 "[ . 1 . 2]" 1
919 1 65 LEU MD2 1 73 ALA MB 5.820 . 5.820 3.446 2.136 4.975 . 0 0 "[ . 1 . 2]" 1
920 1 66 ASP H 1 69 ALA HA 6.300 . 6.300 5.585 4.806 6.298 . 0 0 "[ . 1 . 2]" 1
921 1 66 ASP H 1 69 ALA MB 5.130 . 5.130 2.687 2.003 3.418 . 0 0 "[ . 1 . 2]" 1
922 1 66 ASP HB2 1 67 ASP H 5.470 . 5.470 3.767 2.000 4.103 . 0 0 "[ . 1 . 2]" 1
923 1 66 ASP HB2 1 68 ASP H 6.300 . 6.300 4.299 3.067 4.933 . 0 0 "[ . 1 . 2]" 1
924 1 66 ASP HB3 1 67 ASP H 5.470 . 5.470 3.595 2.667 3.995 . 0 0 "[ . 1 . 2]" 1
925 1 66 ASP HB3 1 68 ASP H 6.300 . 6.300 3.477 2.467 4.680 . 0 0 "[ . 1 . 2]" 1
926 1 67 ASP H 1 68 ASP H 5.540 . 5.540 2.695 2.146 2.901 . 0 0 "[ . 1 . 2]" 1
927 1 67 ASP H 1 68 ASP HA 6.300 . 6.300 5.332 4.714 5.501 . 0 0 "[ . 1 . 2]" 1
928 1 67 ASP HA 1 70 ARG H 6.300 . 6.300 3.556 2.972 4.151 . 0 0 "[ . 1 . 2]" 1
929 1 67 ASP HA 1 70 ARG HD2 6.300 . 6.300 4.441 2.786 5.667 . 0 0 "[ . 1 . 2]" 1
930 1 67 ASP HA 1 70 ARG HD3 6.300 . 6.300 4.562 3.145 5.845 . 0 0 "[ . 1 . 2]" 1
931 1 67 ASP QB 1 70 ARG QB 5.890 . 5.890 4.238 3.652 4.859 . 0 0 "[ . 1 . 2]" 1
932 1 67 ASP QB 1 71 LYS H 6.100 . 6.100 5.390 4.745 6.164 0.064 14 0 "[ . 1 . 2]" 1
933 1 68 ASP H 1 69 ALA MB 6.300 . 6.300 4.305 4.121 4.519 . 0 0 "[ . 1 . 2]" 1
934 1 68 ASP H 1 70 ARG HB2 6.300 . 6.300 5.596 4.988 6.162 . 0 0 "[ . 1 . 2]" 1
935 1 68 ASP H 1 70 ARG HB3 6.300 . 6.300 4.876 4.559 5.168 . 0 0 "[ . 1 . 2]" 1
936 1 68 ASP H 1 71 LYS QB 6.300 . 6.300 4.975 4.555 5.486 . 0 0 "[ . 1 . 2]" 1
937 1 68 ASP HA 1 71 LYS H 5.900 . 5.900 3.570 3.215 3.848 . 0 0 "[ . 1 . 2]" 1
938 1 68 ASP HA 1 71 LYS QD 6.300 . 6.300 4.474 3.336 5.712 . 0 0 "[ . 1 . 2]" 1
939 1 68 ASP HA 1 71 LYS QG 6.100 . 6.100 4.757 4.009 5.407 . 0 0 "[ . 1 . 2]" 1
940 1 68 ASP HA 1 72 LYS H 6.300 . 6.300 4.301 3.997 4.698 . 0 0 "[ . 1 . 2]" 1
941 1 68 ASP QB 1 69 ALA HA 6.100 . 6.100 4.249 4.128 4.459 . 0 0 "[ . 1 . 2]" 1
942 1 68 ASP QB 1 69 ALA MB 6.100 . 6.100 3.843 3.680 4.104 . 0 0 "[ . 1 . 2]" 1
943 1 68 ASP QB 1 72 LYS QB 6.100 . 6.100 5.577 4.765 6.121 0.021 2 0 "[ . 1 . 2]" 1
944 1 68 ASP HB2 1 69 ALA H 5.320 . 5.320 3.861 3.773 4.109 . 0 0 "[ . 1 . 2]" 1
945 1 68 ASP HB3 1 69 ALA H 5.320 . 5.320 2.521 2.333 2.853 . 0 0 "[ . 1 . 2]" 1
946 1 69 ALA H 1 70 ARG H 4.490 . 4.490 2.667 2.559 2.762 . 0 0 "[ . 1 . 2]" 1
947 1 69 ALA H 1 71 LYS H 6.300 . 6.300 4.252 4.007 4.457 . 0 0 "[ . 1 . 2]" 1
948 1 69 ALA H 1 72 LYS H 6.300 . 6.300 4.852 4.569 5.183 . 0 0 "[ . 1 . 2]" 1
949 1 69 ALA H 1 72 LYS QB 6.300 . 6.300 5.178 4.253 6.063 . 0 0 "[ . 1 . 2]" 1
950 1 69 ALA H 1 72 LYS QG 6.100 . 6.100 4.534 3.847 5.444 . 0 0 "[ . 1 . 2]" 1
951 1 69 ALA HA 1 72 LYS H 6.300 . 6.300 3.530 3.121 3.968 . 0 0 "[ . 1 . 2]" 1
952 1 69 ALA HA 1 72 LYS QG 5.960 . 5.960 2.970 2.088 4.319 . 0 0 "[ . 1 . 2]" 1
953 1 69 ALA HA 1 73 ALA H 5.910 . 5.910 4.015 3.811 4.413 . 0 0 "[ . 1 . 2]" 1
954 1 69 ALA HA 1 73 ALA MB 6.300 . 6.300 4.428 4.114 5.023 . 0 0 "[ . 1 . 2]" 1
955 1 69 ALA MB 1 70 ARG H 5.090 . 5.090 2.685 2.524 2.795 . 0 0 "[ . 1 . 2]" 1
956 1 69 ALA MB 1 71 LYS H 6.280 . 6.280 4.643 4.441 4.765 . 0 0 "[ . 1 . 2]" 1
957 1 69 ALA MB 1 72 LYS QB 5.960 . 5.960 4.221 3.574 5.297 . 0 0 "[ . 1 . 2]" 1
958 1 69 ALA MB 1 73 ALA H 5.210 . 5.210 4.607 4.358 4.881 . 0 0 "[ . 1 . 2]" 1
959 1 69 ALA MB 1 73 ALA MB 6.200 . 6.200 3.985 3.775 4.574 . 0 0 "[ . 1 . 2]" 1
960 1 69 ALA MB 1 74 LYS H 6.300 . 6.300 6.357 6.171 6.518 0.218 1 0 "[ . 1 . 2]" 1
961 1 70 ARG H 1 71 LYS H 5.200 . 5.200 2.653 2.439 2.808 . 0 0 "[ . 1 . 2]" 1
962 1 70 ARG HA 1 73 ALA MB 5.870 . 5.870 2.960 2.380 3.440 . 0 0 "[ . 1 . 2]" 1
963 1 70 ARG QG 1 73 ALA MB 6.300 . 6.300 4.360 3.825 4.822 . 0 0 "[ . 1 . 2]" 1
964 1 70 ARG QG 1 102 PHE QD 6.300 . 6.300 5.283 3.807 6.299 . 0 0 "[ . 1 . 2]" 1
965 1 71 LYS H 1 71 LYS QD 5.660 . 5.660 4.494 4.134 4.829 . 0 0 "[ . 1 . 2]" 1
966 1 71 LYS H 1 71 LYS HG2 5.690 . 5.690 4.505 4.399 4.629 . 0 0 "[ . 1 . 2]" 1
967 1 71 LYS H 1 71 LYS QG 4.920 . 4.920 4.012 3.965 4.071 . 0 0 "[ . 1 . 2]" 1
968 1 71 LYS H 1 71 LYS HG3 5.690 . 5.690 4.505 4.436 4.550 . 0 0 "[ . 1 . 2]" 1
969 1 71 LYS H 1 72 LYS QB 4.810 . 4.810 4.652 4.186 4.928 0.118 3 0 "[ . 1 . 2]" 1
970 1 71 LYS H 1 72 LYS QG 6.040 . 6.040 4.280 3.815 5.576 . 0 0 "[ . 1 . 2]" 1
971 1 71 LYS H 1 73 ALA MB 6.300 . 6.300 4.862 4.511 5.215 . 0 0 "[ . 1 . 2]" 1
972 1 71 LYS H 1 74 LYS QB 6.300 . 6.300 4.684 4.399 5.517 . 0 0 "[ . 1 . 2]" 1
973 1 71 LYS H 1 74 LYS QD 6.300 . 6.300 5.715 4.536 6.332 0.032 7 0 "[ . 1 . 2]" 1
974 1 71 LYS HA 1 72 LYS QG 6.010 . 6.010 5.439 5.243 6.204 0.194 5 0 "[ . 1 . 2]" 1
975 1 71 LYS HA 1 74 LYS QB 6.200 . 6.200 2.654 2.207 3.875 . 0 0 "[ . 1 . 2]" 1
976 1 71 LYS HA 1 74 LYS QD 6.300 . 6.300 3.376 2.308 4.284 . 0 0 "[ . 1 . 2]" 1
977 1 71 LYS QB 1 74 LYS QB 5.850 . 5.850 4.475 4.051 5.574 . 0 0 "[ . 1 . 2]" 1
978 1 71 LYS QD 1 72 LYS HA 6.300 . 6.300 5.347 4.189 6.022 . 0 0 "[ . 1 . 2]" 1
979 1 71 LYS QD 1 74 LYS QE 6.300 . 6.300 5.515 4.258 6.415 0.115 6 0 "[ . 1 . 2]" 1
980 1 71 LYS QG 1 72 LYS H 6.100 . 6.100 3.746 3.450 4.030 . 0 0 "[ . 1 . 2]" 1
981 1 71 LYS QG 1 72 LYS HA 5.030 . 5.030 3.809 3.415 4.110 . 0 0 "[ . 1 . 2]" 1
982 1 71 LYS QG 1 74 LYS QB 5.170 . 5.170 4.066 3.408 5.213 0.043 12 0 "[ . 1 . 2]" 1
983 1 71 LYS QG 1 74 LYS QE 6.100 . 6.100 4.734 3.167 6.092 . 0 0 "[ . 1 . 2]" 1
984 1 71 LYS QG 1 75 LYS H 5.550 . 5.550 4.394 3.814 4.936 . 0 0 "[ . 1 . 2]" 1
985 1 72 LYS H 1 72 LYS QD 5.540 . 5.540 3.645 2.575 4.432 . 0 0 "[ . 1 . 2]" 1
986 1 72 LYS H 1 72 LYS QE 6.300 . 6.300 4.608 2.682 6.045 . 0 0 "[ . 1 . 2]" 1
987 1 72 LYS H 1 73 ALA H 4.770 . 4.770 2.606 2.479 2.729 . 0 0 "[ . 1 . 2]" 1
988 1 72 LYS H 1 73 ALA MB 6.300 . 6.300 4.275 4.145 4.376 . 0 0 "[ . 1 . 2]" 1
989 1 72 LYS H 1 74 LYS QB 6.300 . 6.300 4.761 4.431 5.952 . 0 0 "[ . 1 . 2]" 1
990 1 72 LYS HA 1 75 LYS H 5.990 . 5.990 3.727 3.151 4.211 . 0 0 "[ . 1 . 2]" 1
991 1 72 LYS QB 1 73 ALA H 6.070 . 6.070 2.703 2.276 3.595 . 0 0 "[ . 1 . 2]" 1
992 1 72 LYS QB 1 73 ALA MB 6.300 . 6.300 3.841 3.436 4.781 . 0 0 "[ . 1 . 2]" 1
993 1 72 LYS QB 1 74 LYS H 5.450 . 5.450 4.722 4.448 5.193 . 0 0 "[ . 1 . 2]" 1
994 1 72 LYS QB 1 75 LYS H 5.660 . 5.660 5.108 4.803 5.378 . 0 0 "[ . 1 . 2]" 1
995 1 72 LYS QB 1 76 TRP H 5.690 . 5.690 4.820 4.542 4.990 . 0 0 "[ . 1 . 2]" 1
996 1 72 LYS QG 1 73 ALA H 5.320 . 5.320 3.837 2.368 4.545 . 0 0 "[ . 1 . 2]" 1
997 1 73 ALA H 1 74 LYS H 4.960 . 4.960 2.555 2.450 2.684 . 0 0 "[ . 1 . 2]" 1
998 1 73 ALA HA 1 75 LYS H 6.300 . 6.300 4.621 4.422 4.965 . 0 0 "[ . 1 . 2]" 1
999 1 73 ALA HA 1 76 TRP H 5.810 . 5.810 3.454 3.034 3.936 . 0 0 "[ . 1 . 2]" 1
1000 1 73 ALA HA 1 76 TRP QB 5.950 . 5.950 2.277 1.952 2.666 . 0 0 "[ . 1 . 2]" 1
1001 1 73 ALA HA 1 76 TRP HZ3 6.300 . 6.300 5.976 4.848 6.450 0.150 16 0 "[ . 1 . 2]" 1
1002 1 73 ALA MB 1 74 LYS H 5.220 . 5.220 2.637 2.333 2.776 . 0 0 "[ . 1 . 2]" 1
1003 1 73 ALA MB 1 74 LYS HA 6.300 . 6.300 3.937 3.699 4.035 . 0 0 "[ . 1 . 2]" 1
1004 1 73 ALA MB 1 74 LYS QB 6.300 . 6.300 3.927 3.454 4.114 . 0 0 "[ . 1 . 2]" 1
1005 1 73 ALA MB 1 76 TRP QB 6.300 . 6.300 3.655 3.359 3.984 . 0 0 "[ . 1 . 2]" 1
1006 1 74 LYS H 1 75 LYS H 5.200 . 5.200 2.695 2.543 2.881 . 0 0 "[ . 1 . 2]" 1
1007 1 74 LYS H 1 78 LEU MD1 6.300 . 6.300 6.064 5.696 6.285 . 0 0 "[ . 1 . 2]" 1
1008 1 74 LYS HA 1 74 LYS QE 6.300 . 6.300 4.822 4.272 5.422 . 0 0 "[ . 1 . 2]" 1
1009 1 74 LYS HA 1 77 ALA H 6.160 . 6.160 3.878 3.268 4.651 . 0 0 "[ . 1 . 2]" 1
1010 1 74 LYS HA 1 77 ALA MB 6.070 . 6.070 3.293 2.448 4.374 . 0 0 "[ . 1 . 2]" 1
1011 1 74 LYS HA 1 102 PHE QB 6.100 . 6.100 5.101 4.223 6.087 . 0 0 "[ . 1 . 2]" 1
1012 1 74 LYS HA 1 102 PHE QD 6.300 . 6.300 3.862 2.875 4.474 . 0 0 "[ . 1 . 2]" 1
1013 1 74 LYS HA 1 102 PHE HZ 6.300 . 6.300 3.015 2.059 5.231 . 0 0 "[ . 1 . 2]" 1
1014 1 74 LYS QB 1 75 LYS H 4.710 . 4.710 2.505 2.221 3.437 . 0 0 "[ . 1 . 2]" 1
1015 1 74 LYS QB 1 75 LYS QB 6.060 . 6.060 3.985 3.676 5.223 . 0 0 "[ . 1 . 2]" 1
1016 1 74 LYS QB 1 78 LEU H 6.300 . 6.300 5.748 5.183 6.268 . 0 0 "[ . 1 . 2]" 1
1017 1 74 LYS QB 1 102 PHE QD 6.300 . 6.300 4.500 3.588 5.343 . 0 0 "[ . 1 . 2]" 1
1018 1 74 LYS QB 1 102 PHE HZ 6.300 . 6.300 3.964 2.862 5.117 . 0 0 "[ . 1 . 2]" 1
1019 1 74 LYS QD 1 102 PHE QE 6.300 . 6.300 4.280 3.197 5.128 . 0 0 "[ . 1 . 2]" 1
1020 1 74 LYS QD 1 102 PHE HZ 6.300 . 6.300 4.643 3.498 5.825 . 0 0 "[ . 1 . 2]" 1
1021 1 74 LYS QE 1 75 LYS QB 6.300 . 6.300 4.935 3.788 5.929 . 0 0 "[ . 1 . 2]" 1
1022 1 74 LYS QE 1 78 LEU MD1 6.250 . 6.250 3.071 1.990 4.857 . 0 0 "[ . 1 . 2]" 1
1023 1 74 LYS QE 1 78 LEU HG 6.300 . 6.300 4.810 3.513 6.155 . 0 0 "[ . 1 . 2]" 1
1024 1 74 LYS QE 1 102 PHE HZ 6.300 . 6.300 4.729 3.406 6.364 0.064 16 0 "[ . 1 . 2]" 1
1025 1 75 LYS H 1 76 TRP H 5.050 . 5.050 2.596 2.423 2.771 . 0 0 "[ . 1 . 2]" 1
1026 1 75 LYS H 1 77 ALA H 6.300 . 6.300 4.407 4.043 4.742 . 0 0 "[ . 1 . 2]" 1
1027 1 75 LYS HA 1 78 LEU H 6.200 . 6.200 3.721 3.373 4.202 . 0 0 "[ . 1 . 2]" 1
1028 1 75 LYS HA 1 78 LEU HB2 6.300 . 6.300 2.929 2.402 3.351 . 0 0 "[ . 1 . 2]" 1
1029 1 75 LYS HA 1 78 LEU HB3 6.300 . 6.300 4.465 3.923 4.983 . 0 0 "[ . 1 . 2]" 1
1030 1 75 LYS HA 1 78 LEU MD1 5.510 . 5.510 2.444 1.843 3.208 . 0 0 "[ . 1 . 2]" 1
1031 1 75 LYS HA 1 79 GLU H 6.300 . 6.300 4.318 3.979 4.599 . 0 0 "[ . 1 . 2]" 1
1032 1 75 LYS QB 1 76 TRP H 5.280 . 5.280 2.625 2.334 2.815 . 0 0 "[ . 1 . 2]" 1
1033 1 75 LYS QG 1 76 TRP H 6.300 . 6.300 3.814 3.421 4.345 . 0 0 "[ . 1 . 2]" 1
1034 1 76 TRP H 1 77 ALA H 5.050 . 5.050 2.814 2.717 2.894 . 0 0 "[ . 1 . 2]" 1
1035 1 76 TRP H 1 78 LEU MD1 6.300 . 6.300 5.308 4.962 5.890 . 0 0 "[ . 1 . 2]" 1
1036 1 76 TRP HA 1 78 LEU H 6.300 . 6.300 4.425 4.208 4.651 . 0 0 "[ . 1 . 2]" 1
1037 1 76 TRP HA 1 79 GLU H 6.300 . 6.300 3.592 3.166 3.900 . 0 0 "[ . 1 . 2]" 1
1038 1 76 TRP HA 1 79 GLU QB 6.300 . 6.300 2.843 2.403 3.164 . 0 0 "[ . 1 . 2]" 1
1039 1 76 TRP HA 1 79 GLU HG2 6.300 . 6.300 4.485 2.595 5.676 . 0 0 "[ . 1 . 2]" 1
1040 1 76 TRP HA 1 79 GLU QG 5.470 . 5.470 3.497 2.404 4.215 . 0 0 "[ . 1 . 2]" 1
1041 1 76 TRP HA 1 79 GLU HG3 6.300 . 6.300 3.750 2.839 4.360 . 0 0 "[ . 1 . 2]" 1
1042 1 76 TRP QB 1 76 TRP HZ3 5.740 . 5.740 4.788 4.688 4.872 . 0 0 "[ . 1 . 2]" 1
1043 1 76 TRP QB 1 77 ALA H 5.040 . 5.040 2.377 2.250 2.564 . 0 0 "[ . 1 . 2]" 1
1044 1 76 TRP QB 1 77 ALA MB 6.300 . 6.300 3.678 3.457 3.906 . 0 0 "[ . 1 . 2]" 1
1045 1 76 TRP HE3 1 77 ALA H 6.300 . 6.300 2.867 2.712 3.332 . 0 0 "[ . 1 . 2]" 1
1046 1 76 TRP HE3 1 77 ALA MB 6.300 . 6.300 2.609 2.045 3.167 . 0 0 "[ . 1 . 2]" 1
1047 1 76 TRP HE3 1 80 VAL MG2 6.300 . 6.300 3.757 3.181 4.932 . 0 0 "[ . 1 . 2]" 1
1048 1 76 TRP HH2 1 80 VAL MG1 6.300 . 6.300 4.115 3.270 5.045 . 0 0 "[ . 1 . 2]" 1
1049 1 76 TRP HH2 1 80 VAL MG2 6.300 . 6.300 3.523 3.157 4.254 . 0 0 "[ . 1 . 2]" 1
1050 1 76 TRP HZ2 1 80 VAL MG2 6.300 . 6.300 3.380 3.055 4.371 . 0 0 "[ . 1 . 2]" 1
1051 1 76 TRP HZ3 1 77 ALA H 6.050 . 6.050 5.076 4.881 5.397 . 0 0 "[ . 1 . 2]" 1
1052 1 76 TRP HZ3 1 77 ALA HA 5.640 . 5.640 3.750 3.250 4.758 . 0 0 "[ . 1 . 2]" 1
1053 1 76 TRP HZ3 1 77 ALA MB 5.930 . 5.930 3.589 3.056 4.241 . 0 0 "[ . 1 . 2]" 1
1054 1 77 ALA H 1 78 LEU H 5.200 . 5.200 2.671 2.581 2.734 . 0 0 "[ . 1 . 2]" 1
1055 1 77 ALA H 1 78 LEU QB 6.100 . 6.100 4.692 4.503 4.825 . 0 0 "[ . 1 . 2]" 1
1056 1 77 ALA H 1 78 LEU HG 6.300 . 6.300 4.469 4.203 4.779 . 0 0 "[ . 1 . 2]" 1
1057 1 77 ALA H 1 79 GLU H 6.130 . 6.130 4.193 4.026 4.371 . 0 0 "[ . 1 . 2]" 1
1058 1 77 ALA H 1 79 GLU QB 6.300 . 6.300 5.163 4.972 5.532 . 0 0 "[ . 1 . 2]" 1
1059 1 77 ALA H 1 80 VAL MG1 6.300 . 6.300 6.014 3.992 6.378 0.078 19 0 "[ . 1 . 2]" 1
1060 1 77 ALA H 1 80 VAL MG2 6.300 . 6.300 4.441 4.081 6.329 0.029 6 0 "[ . 1 . 2]" 1
1061 1 77 ALA H 1 102 PHE QE 6.300 . 6.300 4.026 3.216 5.246 . 0 0 "[ . 1 . 2]" 1
1062 1 77 ALA H 1 104 VAL QG 6.220 . 6.220 4.542 4.245 5.239 . 0 0 "[ . 1 . 2]" 1
1063 1 77 ALA HA 1 80 VAL H 6.300 . 6.300 3.581 3.187 4.195 . 0 0 "[ . 1 . 2]" 1
1064 1 77 ALA HA 1 80 VAL HB 6.300 . 6.300 3.058 2.408 5.335 . 0 0 "[ . 1 . 2]" 1
1065 1 77 ALA HA 1 80 VAL MG1 5.790 . 5.790 3.936 2.012 4.218 . 0 0 "[ . 1 . 2]" 1
1066 1 77 ALA HA 1 80 VAL MG2 6.300 . 6.300 2.938 2.078 4.615 . 0 0 "[ . 1 . 2]" 1
1067 1 77 ALA HA 1 81 ALA H 6.300 . 6.300 4.093 3.721 4.465 . 0 0 "[ . 1 . 2]" 1
1068 1 77 ALA MB 1 78 LEU H 5.220 . 5.220 2.723 2.552 2.800 . 0 0 "[ . 1 . 2]" 1
1069 1 77 ALA MB 1 81 ALA H 6.300 . 6.300 4.718 4.409 5.075 . 0 0 "[ . 1 . 2]" 1
1070 1 77 ALA MB 1 102 PHE QD 5.410 . 5.410 3.249 2.562 3.852 . 0 0 "[ . 1 . 2]" 1
1071 1 77 ALA MB 1 102 PHE QE 5.600 . 5.600 2.056 1.679 3.002 . 0 0 "[ . 1 . 2]" 1
1072 1 77 ALA MB 1 104 VAL MG1 5.470 . 5.470 3.243 2.158 3.925 . 0 0 "[ . 1 . 2]" 1
1073 1 77 ALA MB 1 104 VAL QG 4.220 . 4.220 2.118 1.717 2.757 . 0 0 "[ . 1 . 2]" 1
1074 1 77 ALA MB 1 104 VAL MG2 5.470 . 5.470 2.174 1.741 3.002 . 0 0 "[ . 1 . 2]" 1
1075 1 78 LEU H 1 78 LEU MD1 5.680 . 5.680 3.706 3.536 3.834 . 0 0 "[ . 1 . 2]" 1
1076 1 78 LEU H 1 78 LEU HG 5.250 . 5.250 2.414 2.191 2.626 . 0 0 "[ . 1 . 2]" 1
1077 1 78 LEU H 1 79 GLU QG 6.100 . 6.100 4.359 4.130 4.757 . 0 0 "[ . 1 . 2]" 1
1078 1 78 LEU H 1 80 VAL MG1 6.300 . 6.300 6.142 4.047 6.380 0.080 18 0 "[ . 1 . 2]" 1
1079 1 78 LEU H 1 81 ALA MB 6.230 . 6.230 4.635 4.347 4.802 . 0 0 "[ . 1 . 2]" 1
1080 1 78 LEU HA 1 81 ALA H 6.300 . 6.300 3.654 3.307 3.963 . 0 0 "[ . 1 . 2]" 1
1081 1 78 LEU HA 1 81 ALA MB 5.150 . 5.150 2.636 2.149 2.899 . 0 0 "[ . 1 . 2]" 1
1082 1 78 LEU HA 1 82 ASN H 6.060 . 6.060 4.224 3.888 4.420 . 0 0 "[ . 1 . 2]" 1
1083 1 78 LEU HA 1 82 ASN HD21 6.300 . 6.300 3.859 3.282 5.910 . 0 0 "[ . 1 . 2]" 1
1084 1 78 LEU HA 1 82 ASN HD22 6.300 . 6.300 4.390 3.964 5.211 . 0 0 "[ . 1 . 2]" 1
1085 1 78 LEU HA 1 104 VAL QG 6.220 . 6.220 3.180 2.601 4.075 . 0 0 "[ . 1 . 2]" 1
1086 1 78 LEU QB 1 82 ASN QD 5.890 . 5.890 3.101 2.402 4.959 . 0 0 "[ . 1 . 2]" 1
1087 1 78 LEU MD1 1 79 GLU H 6.300 . 6.300 4.540 4.375 4.774 . 0 0 "[ . 1 . 2]" 1
1088 1 78 LEU MD1 1 82 ASN QD 6.100 . 6.100 4.567 3.859 6.128 0.028 6 0 "[ . 1 . 2]" 1
1089 1 78 LEU MD1 1 102 PHE HZ 5.750 . 5.750 4.178 2.705 5.653 . 0 0 "[ . 1 . 2]" 1
1090 1 78 LEU MD2 1 79 GLU H 6.300 . 6.300 4.693 4.608 4.819 . 0 0 "[ . 1 . 2]" 1
1091 1 78 LEU MD2 1 82 ASN HD21 6.300 . 6.300 4.491 3.642 6.311 0.011 6 0 "[ . 1 . 2]" 1
1092 1 78 LEU MD2 1 82 ASN HD22 6.300 . 6.300 4.165 3.379 5.281 . 0 0 "[ . 1 . 2]" 1
1093 1 78 LEU MD2 1 102 PHE HZ 6.120 . 6.120 3.633 2.206 5.255 . 0 0 "[ . 1 . 2]" 1
1094 1 78 LEU HG 1 102 PHE QE 6.160 . 6.160 4.247 3.071 5.602 . 0 0 "[ . 1 . 2]" 1
1095 1 78 LEU HG 1 102 PHE HZ 6.300 . 6.300 3.779 2.429 5.020 . 0 0 "[ . 1 . 2]" 1
1096 1 79 GLU H 1 79 GLU QG 4.150 . 4.150 2.410 2.230 2.850 . 0 0 "[ . 1 . 2]" 1
1097 1 79 GLU H 1 80 VAL H 4.680 . 4.680 2.665 2.552 2.759 . 0 0 "[ . 1 . 2]" 1
1098 1 79 GLU H 1 80 VAL MG1 6.300 . 6.300 5.667 4.053 6.002 . 0 0 "[ . 1 . 2]" 1
1099 1 79 GLU H 1 80 VAL MG2 6.300 . 6.300 4.215 3.833 6.002 . 0 0 "[ . 1 . 2]" 1
1100 1 79 GLU H 1 81 ALA H 6.300 . 6.300 4.133 3.908 4.287 . 0 0 "[ . 1 . 2]" 1
1101 1 79 GLU H 1 81 ALA MB 6.300 . 6.300 4.663 4.420 4.848 . 0 0 "[ . 1 . 2]" 1
1102 1 79 GLU HA 1 82 ASN H 6.300 . 6.300 3.471 2.927 3.854 . 0 0 "[ . 1 . 2]" 1
1103 1 79 GLU HA 1 82 ASN HB2 5.920 . 5.920 2.720 2.057 3.259 . 0 0 "[ . 1 . 2]" 1
1104 1 79 GLU HA 1 82 ASN HD21 6.300 . 6.300 3.479 2.018 6.141 . 0 0 "[ . 1 . 2]" 1
1105 1 79 GLU HA 1 82 ASN HD22 6.300 . 6.300 4.917 3.559 6.152 . 0 0 "[ . 1 . 2]" 1
1106 1 79 GLU QB 1 80 VAL H 5.920 . 5.920 2.679 2.390 2.944 . 0 0 "[ . 1 . 2]" 1
1107 1 79 GLU QB 1 80 VAL MG2 6.300 . 6.300 3.536 3.070 4.994 . 0 0 "[ . 1 . 2]" 1
1108 1 79 GLU QB 1 82 ASN HB2 6.300 . 6.300 4.587 3.939 5.075 . 0 0 "[ . 1 . 2]" 1
1109 1 79 GLU QB 1 82 ASN HB3 6.300 . 6.300 5.876 5.305 6.392 0.092 14 0 "[ . 1 . 2]" 1
1110 1 79 GLU QG 1 80 VAL H 5.810 . 5.810 4.212 3.969 4.542 . 0 0 "[ . 1 . 2]" 1
1111 1 80 VAL H 1 81 ALA H 5.690 . 5.690 2.660 2.480 2.829 . 0 0 "[ . 1 . 2]" 1
1112 1 80 VAL HA 1 83 LYS H 6.140 . 6.140 3.457 3.142 3.872 . 0 0 "[ . 1 . 2]" 1
1113 1 80 VAL HA 1 83 LYS QB 5.280 . 5.280 2.507 2.154 2.951 . 0 0 "[ . 1 . 2]" 1
1114 1 80 VAL HA 1 83 LYS QG 6.230 . 6.230 3.659 2.517 4.476 . 0 0 "[ . 1 . 2]" 1
1115 1 80 VAL HB 1 81 ALA H 6.300 . 6.300 2.703 2.341 3.933 . 0 0 "[ . 1 . 2]" 1
1116 1 80 VAL MG1 1 81 ALA H 6.130 . 6.130 3.343 2.271 4.035 . 0 0 "[ . 1 . 2]" 1
1117 1 80 VAL MG1 1 81 ALA HA 6.280 . 6.280 3.658 3.188 5.601 . 0 0 "[ . 1 . 2]" 1
1118 1 80 VAL MG1 1 83 LYS H 6.300 . 6.300 4.759 4.572 5.130 . 0 0 "[ . 1 . 2]" 1
1119 1 80 VAL MG1 1 84 ILE H 6.300 . 6.300 4.369 4.017 5.540 . 0 0 "[ . 1 . 2]" 1
1120 1 80 VAL MG2 1 81 ALA MB 6.300 . 6.300 4.743 3.039 5.072 . 0 0 "[ . 1 . 2]" 1
1121 1 80 VAL MG2 1 83 LYS QG 6.300 . 6.300 4.778 3.747 6.183 . 0 0 "[ . 1 . 2]" 1
1122 1 80 VAL MG2 1 84 ILE MD 6.090 . 6.090 4.215 1.986 4.932 . 0 0 "[ . 1 . 2]" 1
1123 1 81 ALA H 1 83 LYS H 6.300 . 6.300 3.984 3.755 4.358 . 0 0 "[ . 1 . 2]" 1
1124 1 81 ALA H 1 83 LYS QB 6.300 . 6.300 4.769 4.520 5.300 . 0 0 "[ . 1 . 2]" 1
1125 1 81 ALA H 1 84 ILE MD 6.300 . 6.300 4.574 4.252 5.019 . 0 0 "[ . 1 . 2]" 1
1126 1 81 ALA H 1 106 VAL MG2 6.300 . 6.300 4.108 3.729 4.370 . 0 0 "[ . 1 . 2]" 1
1127 1 81 ALA HA 1 82 ASN QD 6.100 . 6.100 5.397 4.433 6.342 0.242 17 0 "[ . 1 . 2]" 1
1128 1 81 ALA HA 1 83 LYS H 6.300 . 6.300 4.370 4.241 4.745 . 0 0 "[ . 1 . 2]" 1
1129 1 81 ALA HA 1 84 ILE H 6.260 . 6.260 4.014 3.701 4.262 . 0 0 "[ . 1 . 2]" 1
1130 1 81 ALA HA 1 84 ILE HB 6.050 . 6.050 3.529 2.878 3.952 . 0 0 "[ . 1 . 2]" 1
1131 1 81 ALA HA 1 84 ILE MD 5.530 . 5.530 3.185 2.555 3.953 . 0 0 "[ . 1 . 2]" 1
1132 1 81 ALA HA 1 84 ILE HG12 6.300 . 6.300 5.478 4.525 6.161 . 0 0 "[ . 1 . 2]" 1
1133 1 81 ALA HA 1 84 ILE HG13 6.300 . 6.300 4.633 3.821 6.373 0.073 12 0 "[ . 1 . 2]" 1
1134 1 81 ALA HA 1 84 ILE MG 6.300 . 6.300 4.760 4.165 5.171 . 0 0 "[ . 1 . 2]" 1
1135 1 81 ALA HA 1 106 VAL MG1 5.590 . 5.590 2.778 2.099 3.234 . 0 0 "[ . 1 . 2]" 1
1136 1 81 ALA MB 1 82 ASN H 5.700 . 5.700 2.440 2.273 2.649 . 0 0 "[ . 1 . 2]" 1
1137 1 81 ALA MB 1 82 ASN HB2 6.300 . 6.300 4.249 4.019 4.497 . 0 0 "[ . 1 . 2]" 1
1138 1 81 ALA MB 1 82 ASN HB3 6.300 . 6.300 5.198 5.030 5.323 . 0 0 "[ . 1 . 2]" 1
1139 1 81 ALA MB 1 82 ASN HD21 6.300 . 6.300 3.288 2.349 4.724 . 0 0 "[ . 1 . 2]" 1
1140 1 81 ALA MB 1 82 ASN QD 5.540 . 5.540 3.103 2.313 4.141 . 0 0 "[ . 1 . 2]" 1
1141 1 81 ALA MB 1 82 ASN HD22 6.300 . 6.300 3.905 3.461 4.579 . 0 0 "[ . 1 . 2]" 1
1142 1 81 ALA MB 1 106 VAL H 6.300 . 6.300 5.036 4.806 5.314 . 0 0 "[ . 1 . 2]" 1
1143 1 81 ALA MB 1 106 VAL MG1 4.470 . 4.470 2.598 2.021 3.313 . 0 0 "[ . 1 . 2]" 1
1144 1 81 ALA MB 1 106 VAL MG2 4.140 . 4.140 2.144 2.028 2.302 . 0 0 "[ . 1 . 2]" 1
1145 1 82 ASN H 1 83 LYS H 5.590 . 5.590 2.538 2.444 2.641 . 0 0 "[ . 1 . 2]" 1
1146 1 82 ASN H 1 84 ILE MD 6.300 . 6.300 5.493 5.053 6.043 . 0 0 "[ . 1 . 2]" 1
1147 1 82 ASN HA 1 85 ALA H 6.300 . 6.300 3.391 3.157 3.675 . 0 0 "[ . 1 . 2]" 1
1148 1 82 ASN HA 1 85 ALA HA 5.130 . 5.130 5.080 4.850 5.244 0.114 11 0 "[ . 1 . 2]" 1
1149 1 82 ASN HA 1 85 ALA MB 4.560 . 4.560 2.214 1.995 2.408 . 0 0 "[ . 1 . 2]" 1
1150 1 82 ASN HA 1 92 GLN HE21 6.300 . 6.300 4.713 3.837 5.861 . 0 0 "[ . 1 . 2]" 1
1151 1 82 ASN HA 1 92 GLN QE 5.530 . 5.530 3.635 2.288 4.909 . 0 0 "[ . 1 . 2]" 1
1152 1 82 ASN HA 1 92 GLN HE22 6.300 . 6.300 3.925 2.306 6.001 . 0 0 "[ . 1 . 2]" 1
1153 1 82 ASN HA 1 106 VAL MG2 6.300 . 6.300 5.880 5.237 6.412 0.112 15 0 "[ . 1 . 2]" 1
1154 1 82 ASN HB2 1 83 LYS H 5.880 . 5.880 3.101 2.708 3.293 . 0 0 "[ . 1 . 2]" 1
1155 1 82 ASN HB2 1 83 LYS QB 6.300 . 6.300 4.644 4.342 5.320 . 0 0 "[ . 1 . 2]" 1
1156 1 82 ASN HB3 1 83 LYS H 5.940 . 5.940 3.811 3.534 4.013 . 0 0 "[ . 1 . 2]" 1
1157 1 82 ASN HB3 1 83 LYS QB 6.300 . 6.300 5.232 4.862 5.589 . 0 0 "[ . 1 . 2]" 1
1158 1 82 ASN HB3 1 92 GLN QE 6.100 . 6.100 4.549 3.253 6.129 0.029 11 0 "[ . 1 . 2]" 1
1159 1 83 LYS H 1 83 LYS QE 6.300 . 6.300 5.560 4.068 6.195 . 0 0 "[ . 1 . 2]" 1
1160 1 83 LYS H 1 84 ILE H 4.890 . 4.890 2.671 2.554 2.793 . 0 0 "[ . 1 . 2]" 1
1161 1 83 LYS H 1 84 ILE HB 6.300 . 6.300 4.809 4.533 5.055 . 0 0 "[ . 1 . 2]" 1
1162 1 83 LYS H 1 84 ILE MD 6.300 . 6.300 4.817 3.761 5.235 . 0 0 "[ . 1 . 2]" 1
1163 1 83 LYS HA 1 86 ASN H 5.540 . 5.540 3.580 3.203 4.131 . 0 0 "[ . 1 . 2]" 1
1164 1 83 LYS HA 1 86 ASN QB 5.050 . 5.050 2.811 2.366 3.568 . 0 0 "[ . 1 . 2]" 1
1165 1 83 LYS QB 1 84 ILE H 4.950 . 4.950 2.458 2.270 2.927 . 0 0 "[ . 1 . 2]" 1
1166 1 83 LYS QB 1 86 ASN H 6.300 . 6.300 4.972 4.613 5.649 . 0 0 "[ . 1 . 2]" 1
1167 1 83 LYS QB 1 86 ASN QB 6.100 . 6.100 4.589 4.190 5.400 . 0 0 "[ . 1 . 2]" 1
1168 1 83 LYS QG 1 84 ILE H 6.300 . 6.300 4.062 3.392 4.531 . 0 0 "[ . 1 . 2]" 1
1169 1 83 LYS QG 1 86 ASN QB 6.100 . 6.100 4.502 3.764 5.551 . 0 0 "[ . 1 . 2]" 1
1170 1 84 ILE H 1 84 ILE MD 5.440 . 5.440 3.200 1.991 3.585 . 0 0 "[ . 1 . 2]" 1
1171 1 84 ILE H 1 85 ALA H 5.860 . 5.860 2.633 2.560 2.723 . 0 0 "[ . 1 . 2]" 1
1172 1 84 ILE H 1 85 ALA MB 6.300 . 6.300 4.293 4.230 4.354 . 0 0 "[ . 1 . 2]" 1
1173 1 84 ILE HA 1 85 ALA MB 6.300 . 6.300 5.080 5.051 5.109 . 0 0 "[ . 1 . 2]" 1
1174 1 84 ILE HA 1 86 ASN H 6.300 . 6.300 4.310 4.057 5.196 . 0 0 "[ . 1 . 2]" 1
1175 1 84 ILE HA 1 87 GLU H 6.300 . 6.300 3.609 3.159 4.923 . 0 0 "[ . 1 . 2]" 1
1176 1 84 ILE HA 1 87 GLU HB2 6.300 . 6.300 3.186 2.292 4.648 . 0 0 "[ . 1 . 2]" 1
1177 1 84 ILE HA 1 87 GLU HB3 6.300 . 6.300 4.486 2.592 6.209 . 0 0 "[ . 1 . 2]" 1
1178 1 84 ILE HB 1 85 ALA H 6.300 . 6.300 2.690 2.554 2.830 . 0 0 "[ . 1 . 2]" 1
1179 1 84 ILE HB 1 85 ALA HA 6.300 . 6.300 4.435 4.204 4.716 . 0 0 "[ . 1 . 2]" 1
1180 1 84 ILE HB 1 86 ASN H 6.300 . 6.300 5.084 4.912 5.463 . 0 0 "[ . 1 . 2]" 1
1181 1 84 ILE HB 1 108 LEU MD1 6.300 . 6.300 3.366 2.249 4.155 . 0 0 "[ . 1 . 2]" 1
1182 1 84 ILE MG 1 85 ALA H 6.300 . 6.300 3.484 3.026 3.810 . 0 0 "[ . 1 . 2]" 1
1183 1 84 ILE MG 1 85 ALA HA 6.300 . 6.300 3.640 3.030 4.092 . 0 0 "[ . 1 . 2]" 1
1184 1 84 ILE MG 1 86 ASN H 6.300 . 6.300 5.040 4.748 5.297 . 0 0 "[ . 1 . 2]" 1
1185 1 84 ILE MG 1 87 GLU H 6.300 . 6.300 4.832 4.459 5.691 . 0 0 "[ . 1 . 2]" 1
1186 1 84 ILE MG 1 88 LEU H 6.300 . 6.300 4.510 3.953 5.510 . 0 0 "[ . 1 . 2]" 1
1187 1 84 ILE MG 1 88 LEU QB 6.100 . 6.100 4.098 3.367 5.266 . 0 0 "[ . 1 . 2]" 1
1188 1 84 ILE MG 1 88 LEU HG 6.300 . 6.300 3.697 2.401 5.517 . 0 0 "[ . 1 . 2]" 1
1189 1 85 ALA H 1 86 ASN H 5.650 . 5.650 2.694 2.609 2.764 . 0 0 "[ . 1 . 2]" 1
1190 1 85 ALA HA 1 87 GLU H 6.300 . 6.300 4.486 4.091 4.872 . 0 0 "[ . 1 . 2]" 1
1191 1 85 ALA HA 1 88 LEU H 6.300 . 6.300 3.894 3.517 4.126 . 0 0 "[ . 1 . 2]" 1
1192 1 85 ALA HA 1 88 LEU QB 6.100 . 6.100 3.727 2.933 5.364 . 0 0 "[ . 1 . 2]" 1
1193 1 85 ALA HA 1 88 LEU MD1 6.300 . 6.300 4.899 2.953 6.403 0.103 8 0 "[ . 1 . 2]" 1
1194 1 85 ALA HA 1 88 LEU HG 6.300 . 6.300 4.971 2.665 6.129 . 0 0 "[ . 1 . 2]" 1
1195 1 85 ALA HA 1 90 ALA H 6.300 . 6.300 3.895 2.633 5.736 . 0 0 "[ . 1 . 2]" 1
1196 1 85 ALA HA 1 90 ALA MB 5.420 . 5.420 2.703 1.822 3.762 . 0 0 "[ . 1 . 2]" 1
1197 1 85 ALA HA 1 108 LEU MD1 6.300 . 6.300 3.652 2.345 4.285 . 0 0 "[ . 1 . 2]" 1
1198 1 85 ALA HA 1 108 LEU MD2 5.740 . 5.740 2.525 2.003 3.588 . 0 0 "[ . 1 . 2]" 1
1199 1 85 ALA MB 1 86 ASN H 4.690 . 4.690 2.700 2.422 2.911 . 0 0 "[ . 1 . 2]" 1
1200 1 85 ALA MB 1 86 ASN QB 6.100 . 6.100 3.906 3.621 4.234 . 0 0 "[ . 1 . 2]" 1
1201 1 85 ALA MB 1 87 GLU H 6.300 . 6.300 4.632 4.387 4.857 . 0 0 "[ . 1 . 2]" 1
1202 1 85 ALA MB 1 90 ALA H 5.550 . 5.550 4.171 3.028 5.552 0.002 10 0 "[ . 1 . 2]" 1
1203 1 85 ALA MB 1 92 GLN HE21 6.300 . 6.300 3.535 2.064 4.854 . 0 0 "[ . 1 . 2]" 1
1204 1 85 ALA MB 1 92 GLN HE22 6.300 . 6.300 3.435 2.274 4.356 . 0 0 "[ . 1 . 2]" 1
1205 1 86 ASN H 1 88 LEU MD2 6.300 . 6.300 5.678 4.520 6.446 0.146 9 0 "[ . 1 . 2]" 1
1206 1 86 ASN H 1 89 GLY H 6.300 . 6.300 4.710 4.295 5.194 . 0 0 "[ . 1 . 2]" 1
1207 1 86 ASN H 1 108 LEU MD1 6.300 . 6.300 6.018 5.208 6.406 0.106 19 0 "[ . 1 . 2]" 1
1208 1 86 ASN HA 1 88 LEU H 6.300 . 6.300 4.437 3.740 4.938 . 0 0 "[ . 1 . 2]" 1
1209 1 86 ASN HA 1 89 GLY H 5.720 . 5.720 3.657 3.126 4.853 . 0 0 "[ . 1 . 2]" 1
1210 1 86 ASN HA 1 89 GLY HA2 6.300 . 6.300 3.769 3.021 4.692 . 0 0 "[ . 1 . 2]" 1
1211 1 86 ASN HA 1 89 GLY HA3 6.300 . 6.300 5.302 4.466 6.300 . 0 0 "[ . 1 . 2]" 1
1212 1 86 ASN QB 1 87 GLU QB 5.440 . 5.440 4.490 3.674 4.765 . 0 0 "[ . 1 . 2]" 1
1213 1 86 ASN QB 1 87 GLU QG 5.130 . 5.130 3.829 3.277 5.382 0.252 8 0 "[ . 1 . 2]" 1
1214 1 87 GLU H 1 88 LEU H 5.450 . 5.450 2.671 2.520 2.784 . 0 0 "[ . 1 . 2]" 1
1215 1 87 GLU H 1 88 LEU HA 6.240 . 6.240 5.334 5.224 5.400 . 0 0 "[ . 1 . 2]" 1
1216 1 87 GLU H 1 88 LEU MD1 6.240 . 6.240 5.387 4.580 5.700 . 0 0 "[ . 1 . 2]" 1
1217 1 87 GLU QB 1 88 LEU MD2 5.190 . 5.190 2.322 1.744 3.051 . 0 0 "[ . 1 . 2]" 1
1218 1 87 GLU QB 1 89 GLY H 6.100 . 6.100 4.600 4.322 4.869 . 0 0 "[ . 1 . 2]" 1
1219 1 87 GLU HB2 1 88 LEU H 6.300 . 6.300 2.873 2.400 3.664 . 0 0 "[ . 1 . 2]" 1
1220 1 87 GLU HB3 1 88 LEU H 6.300 . 6.300 3.591 2.447 4.181 . 0 0 "[ . 1 . 2]" 1
1221 1 87 GLU QG 1 88 LEU MD2 6.100 . 6.100 3.798 2.898 4.645 . 0 0 "[ . 1 . 2]" 1
1222 1 88 LEU H 1 89 GLY H 5.130 . 5.130 2.319 1.936 2.542 . 0 0 "[ . 1 . 2]" 1
1223 1 88 LEU H 1 89 GLY QA 6.070 . 6.070 4.223 3.894 4.378 . 0 0 "[ . 1 . 2]" 1
1224 1 88 LEU H 1 90 ALA H 6.300 . 6.300 4.488 3.629 6.402 0.102 1 0 "[ . 1 . 2]" 1
1225 1 88 LEU H 1 90 ALA MB 6.300 . 6.300 4.403 3.513 5.414 . 0 0 "[ . 1 . 2]" 1
1226 1 88 LEU HA 1 88 LEU MD2 4.550 . 4.550 2.827 2.118 4.061 . 0 0 "[ . 1 . 2]" 1
1227 1 88 LEU QB 1 90 ALA MB 5.790 . 5.790 2.764 2.167 4.100 . 0 0 "[ . 1 . 2]" 1
1228 1 88 LEU QB 1 108 LEU MD1 6.100 . 6.100 3.718 2.275 5.220 . 0 0 "[ . 1 . 2]" 1
1229 1 88 LEU QB 1 110 LEU MD1 5.320 . 5.320 2.801 1.757 4.065 . 0 0 "[ . 1 . 2]" 1
1230 1 88 LEU HB2 1 89 GLY H 6.220 . 6.220 3.283 2.314 4.429 . 0 0 "[ . 1 . 2]" 1
1231 1 88 LEU HB3 1 89 GLY H 6.220 . 6.220 4.077 3.166 4.657 . 0 0 "[ . 1 . 2]" 1
1232 1 88 LEU MD1 1 89 GLY H 6.300 . 6.300 4.715 3.608 5.057 . 0 0 "[ . 1 . 2]" 1
1233 1 88 LEU MD2 1 89 GLY H 6.300 . 6.300 4.416 3.916 5.249 . 0 0 "[ . 1 . 2]" 1
1234 1 88 LEU HG 1 108 LEU MD1 6.300 . 6.300 3.801 2.412 5.041 . 0 0 "[ . 1 . 2]" 1
1235 1 89 GLY H 1 90 ALA MB 6.300 . 6.300 4.005 3.492 4.314 . 0 0 "[ . 1 . 2]" 1
1236 1 89 GLY H 1 110 LEU MD2 6.300 . 6.300 5.321 2.735 6.479 0.179 4 0 "[ . 1 . 2]" 1
1237 1 89 GLY QA 1 90 ALA MB 6.100 . 6.100 4.005 3.752 4.244 . 0 0 "[ . 1 . 2]" 1
1238 1 90 ALA H 1 110 LEU MD2 6.300 . 6.300 4.510 2.544 6.126 . 0 0 "[ . 1 . 2]" 1
1239 1 90 ALA HA 1 91 LYS QG 6.300 . 6.300 4.564 3.490 6.188 . 0 0 "[ . 1 . 2]" 1
1240 1 90 ALA HA 1 108 LEU QB 6.100 . 6.100 4.689 2.884 5.759 . 0 0 "[ . 1 . 2]" 1
1241 1 90 ALA HA 1 108 LEU MD1 6.300 . 6.300 5.830 4.226 6.461 0.161 2 0 "[ . 1 . 2]" 1
1242 1 90 ALA HA 1 110 LEU HG 6.300 . 6.300 4.366 2.469 6.318 0.018 1 0 "[ . 1 . 2]" 1
1243 1 90 ALA MB 1 91 LYS H 5.190 . 5.190 1.953 1.852 2.132 . 0 0 "[ . 1 . 2]" 1
1244 1 90 ALA MB 1 91 LYS HA 6.300 . 6.300 4.193 3.983 4.353 . 0 0 "[ . 1 . 2]" 1
1245 1 90 ALA MB 1 91 LYS QD 6.300 . 6.300 5.050 3.793 5.883 . 0 0 "[ . 1 . 2]" 1
1246 1 90 ALA MB 1 108 LEU H 6.220 . 6.220 4.829 4.383 5.653 . 0 0 "[ . 1 . 2]" 1
1247 1 90 ALA MB 1 108 LEU HA 6.080 . 6.080 2.550 1.879 3.476 . 0 0 "[ . 1 . 2]" 1
1248 1 90 ALA MB 1 108 LEU QB 5.110 . 5.110 2.474 1.852 2.857 . 0 0 "[ . 1 . 2]" 1
1249 1 90 ALA MB 1 108 LEU MD1 5.210 . 5.210 3.282 2.220 3.747 . 0 0 "[ . 1 . 2]" 1
1250 1 90 ALA MB 1 108 LEU MD2 4.630 . 4.630 1.918 1.617 2.249 . 0 0 "[ . 1 . 2]" 1
1251 1 90 ALA MB 1 110 LEU H 6.300 . 6.300 4.716 3.647 5.814 . 0 0 "[ . 1 . 2]" 1
1252 1 90 ALA MB 1 110 LEU HA 6.300 . 6.300 4.649 3.653 6.106 . 0 0 "[ . 1 . 2]" 1
1253 1 90 ALA MB 1 110 LEU MD1 4.600 . 4.600 2.291 1.792 4.287 . 0 0 "[ . 1 . 2]" 1
1254 1 90 ALA MB 1 110 LEU MD2 4.910 . 4.910 2.957 2.200 3.558 . 0 0 "[ . 1 . 2]" 1
1255 1 91 LYS H 1 91 LYS QD 5.080 . 5.080 4.326 3.387 5.096 0.016 20 0 "[ . 1 . 2]" 1
1256 1 91 LYS H 1 91 LYS QE 6.300 . 6.300 4.944 3.632 6.300 . 0 0 "[ . 1 . 2]" 1
1257 1 91 LYS H 1 92 GLN QE 6.100 . 6.100 5.494 4.659 6.269 0.169 10 0 "[ . 1 . 2]" 1
1258 1 91 LYS H 1 108 LEU MD1 6.300 . 6.300 5.272 3.822 6.545 0.245 1 0 "[ . 1 . 2]" 1
1259 1 91 LYS H 1 108 LEU MD2 6.140 . 6.140 3.000 1.772 4.234 . 0 0 "[ . 1 . 2]" 1
1260 1 91 LYS H 1 110 LEU MD2 6.300 . 6.300 5.552 4.509 6.329 0.029 20 0 "[ . 1 . 2]" 1
1261 1 91 LYS HA 1 91 LYS QE 6.020 . 6.020 4.292 2.650 5.132 . 0 0 "[ . 1 . 2]" 1
1262 1 91 LYS HA 1 92 GLN QE 6.100 . 6.100 4.433 2.829 6.243 0.143 20 0 "[ . 1 . 2]" 1
1263 1 91 LYS QB 1 92 GLN HA 5.720 . 5.720 4.436 4.186 4.995 . 0 0 "[ . 1 . 2]" 1
1264 1 91 LYS QE 1 107 ILE MG 6.300 . 6.300 4.516 3.043 6.377 0.077 1 0 "[ . 1 . 2]" 1
1265 1 91 LYS QG 1 92 GLN H 5.100 . 5.100 3.464 1.979 4.208 . 0 0 "[ . 1 . 2]" 1
1266 1 92 GLN HA 1 93 SER HA 5.880 . 5.880 4.465 4.345 4.603 . 0 0 "[ . 1 . 2]" 1
1267 1 92 GLN HA 1 106 VAL MG1 6.300 . 6.300 4.033 2.884 4.902 . 0 0 "[ . 1 . 2]" 1
1268 1 92 GLN HA 1 107 ILE H 6.300 . 6.300 5.591 4.931 6.280 . 0 0 "[ . 1 . 2]" 1
1269 1 92 GLN HA 1 108 LEU MD2 6.300 . 6.300 4.312 3.323 5.159 . 0 0 "[ . 1 . 2]" 1
1270 1 92 GLN QB 1 93 SER HA 5.750 . 5.750 4.317 3.964 4.720 . 0 0 "[ . 1 . 2]" 1
1271 1 92 GLN QB 1 106 VAL MG1 6.100 . 6.100 5.157 4.146 6.124 0.024 13 0 "[ . 1 . 2]" 1
1272 1 92 GLN QB 1 108 LEU MD2 6.100 . 6.100 5.558 4.378 6.237 0.137 13 0 "[ . 1 . 2]" 1
1273 1 92 GLN HB2 1 93 SER H 5.610 . 5.610 3.447 2.736 4.012 . 0 0 "[ . 1 . 2]" 1
1274 1 92 GLN HB3 1 93 SER H 5.610 . 5.610 2.310 1.671 3.681 . 0 0 "[ . 1 . 2]" 1
1275 1 92 GLN QE 1 106 VAL MG1 6.100 . 6.100 4.982 3.516 5.870 . 0 0 "[ . 1 . 2]" 1
1276 1 92 GLN QG 1 93 SER H 6.100 . 6.100 3.280 1.613 4.183 . 0 0 "[ . 1 . 2]" 1
1277 1 93 SER H 1 106 VAL MG1 5.920 . 5.920 4.064 3.635 4.530 . 0 0 "[ . 1 . 2]" 1
1278 1 93 SER H 1 107 ILE H 5.780 . 5.780 5.076 4.519 5.519 . 0 0 "[ . 1 . 2]" 1
1279 1 93 SER HA 1 107 ILE H 4.700 . 4.700 2.541 2.123 2.826 . 0 0 "[ . 1 . 2]" 1
1280 1 93 SER HA 1 107 ILE HB 6.300 . 6.300 4.357 3.771 4.761 . 0 0 "[ . 1 . 2]" 1
1281 1 93 SER HA 1 107 ILE MD 6.300 . 6.300 4.717 2.346 5.820 . 0 0 "[ . 1 . 2]" 1
1282 1 93 SER HA 1 107 ILE QG 6.100 . 6.100 4.172 3.393 5.463 . 0 0 "[ . 1 . 2]" 1
1283 1 93 SER QB 1 106 VAL MG1 5.390 . 5.390 2.226 1.720 3.468 . 0 0 "[ . 1 . 2]" 1
1284 1 93 SER QB 1 106 VAL MG2 6.100 . 6.100 2.252 1.839 2.682 . 0 0 "[ . 1 . 2]" 1
1285 1 93 SER QB 1 107 ILE H 6.100 . 6.100 3.857 3.283 4.131 . 0 0 "[ . 1 . 2]" 1
1286 1 93 SER QB 1 107 ILE HB 6.100 . 6.100 5.869 5.202 6.218 0.118 3 0 "[ . 1 . 2]" 1
1287 1 93 SER QB 1 107 ILE MD 6.100 . 6.100 5.483 3.840 6.172 0.072 3 0 "[ . 1 . 2]" 1
1288 1 93 SER QB 1 107 ILE QG 5.890 . 5.890 5.256 4.694 6.034 0.144 15 0 "[ . 1 . 2]" 1
1289 1 93 SER HB2 1 106 VAL HA 6.150 . 6.150 2.937 2.330 3.899 . 0 0 "[ . 1 . 2]" 1
1290 1 93 SER HB2 1 106 VAL MG1 6.220 . 6.220 3.445 1.764 4.197 . 0 0 "[ . 1 . 2]" 1
1291 1 93 SER HB3 1 106 VAL HA 6.150 . 6.150 2.553 2.161 4.049 . 0 0 "[ . 1 . 2]" 1
1292 1 93 SER HB3 1 106 VAL MG1 6.220 . 6.220 2.426 1.726 3.696 . 0 0 "[ . 1 . 2]" 1
1293 1 94 THR HA 1 95 THR HA 6.300 . 6.300 4.461 4.415 4.510 . 0 0 "[ . 1 . 2]" 1
1294 1 94 THR HB 1 105 GLU QB 5.860 . 5.860 4.555 2.599 5.001 . 0 0 "[ . 1 . 2]" 1
1295 1 94 THR MG 1 95 THR HA 6.300 . 6.300 4.287 3.900 5.649 . 0 0 "[ . 1 . 2]" 1
1296 1 94 THR MG 1 105 GLU H 6.300 . 6.300 3.198 2.495 5.739 . 0 0 "[ . 1 . 2]" 1
1297 1 94 THR MG 1 105 GLU QG 5.620 . 5.620 3.679 2.733 5.735 0.115 11 0 "[ . 1 . 2]" 1
1298 1 94 THR O 1 105 GLU H 2.520 . 2.520 2.147 1.995 2.576 0.056 15 0 "[ . 1 . 2]" 1
1299 1 94 THR O 1 105 GLU N 3.360 . 3.360 2.946 2.815 3.251 . 0 0 "[ . 1 . 2]" 1
1300 1 95 THR H 1 96 THR HA 6.300 . 6.300 5.102 4.818 5.253 . 0 0 "[ . 1 . 2]" 1
1301 1 95 THR HA 1 104 VAL MG1 6.300 . 6.300 2.993 2.471 3.859 . 0 0 "[ . 1 . 2]" 1
1302 1 95 THR HA 1 104 VAL MG2 6.300 . 6.300 2.721 1.863 3.376 . 0 0 "[ . 1 . 2]" 1
1303 1 95 THR HB 1 102 PHE HZ 6.300 . 6.300 4.470 2.935 6.065 . 0 0 "[ . 1 . 2]" 1
1304 1 95 THR HB 1 104 VAL MG1 6.300 . 6.300 3.657 2.147 5.378 . 0 0 "[ . 1 . 2]" 1
1305 1 95 THR HB 1 104 VAL MG2 6.300 . 6.300 3.042 2.468 4.742 . 0 0 "[ . 1 . 2]" 1
1306 1 95 THR MG 1 105 GLU H 6.300 . 6.300 4.964 3.733 6.116 . 0 0 "[ . 1 . 2]" 1
1307 1 96 THR HB 1 97 THR H 6.240 . 6.240 4.342 3.762 4.438 . 0 0 "[ . 1 . 2]" 1
1308 1 96 THR HB 1 104 VAL QG 6.220 . 6.220 5.040 4.374 5.906 . 0 0 "[ . 1 . 2]" 1
1309 1 96 THR MG 1 97 THR H 6.300 . 6.300 3.218 3.043 4.109 . 0 0 "[ . 1 . 2]" 1
1310 1 96 THR O 1 103 GLU H 2.520 . 2.520 2.142 1.947 2.334 . 0 0 "[ . 1 . 2]" 1
1311 1 96 THR O 1 103 GLU N 3.360 . 3.360 3.066 2.849 3.305 . 0 0 "[ . 1 . 2]" 1
1312 1 97 THR H 1 104 VAL QG 6.220 . 6.220 5.722 4.863 6.177 . 0 0 "[ . 1 . 2]" 1
1313 1 97 THR HA 1 104 VAL QG 6.220 . 6.220 5.145 4.198 5.779 . 0 0 "[ . 1 . 2]" 1
1314 1 97 THR HB 1 102 PHE QD 6.300 . 6.300 3.372 2.498 4.656 . 0 0 "[ . 1 . 2]" 1
1315 1 97 THR HB 1 102 PHE HZ 6.300 . 6.300 4.492 3.721 6.058 . 0 0 "[ . 1 . 2]" 1
1316 1 97 THR HB 1 103 GLU H 6.300 . 6.300 5.694 4.858 6.453 0.153 2 0 "[ . 1 . 2]" 1
1317 1 97 THR MG 1 102 PHE QD 5.000 . 5.000 4.419 3.328 5.102 0.102 17 0 "[ . 1 . 2]" 1
1318 1 97 THR MG 1 102 PHE HZ 6.300 . 6.300 5.454 3.602 6.066 . 0 0 "[ . 1 . 2]" 1
1319 1 97 THR MG 1 103 GLU H 6.300 . 6.300 6.002 5.098 6.322 0.022 8 0 "[ . 1 . 2]" 1
1320 1 98 ASP HA 1 102 PHE QD 6.030 . 6.030 5.279 2.612 6.223 0.193 18 0 "[ . 1 . 2]" 1
1321 1 98 ASP HB2 1 102 PHE QD 6.300 . 6.300 5.584 3.725 6.469 0.169 10 0 "[ . 1 . 2]" 1
1322 1 98 ASP HB3 1 102 PHE QD 6.300 . 6.300 5.600 4.651 6.599 0.299 7 0 "[ . 1 . 2]" 1
1323 1 100 ASP HB2 1 101 THR H 6.300 . 6.300 3.739 2.124 4.512 . 0 0 "[ . 1 . 2]" 1
1324 1 100 ASP HB3 1 101 THR H 6.300 . 6.300 3.205 2.092 4.499 . 0 0 "[ . 1 . 2]" 1
1325 1 101 THR H 1 102 PHE H 6.300 . 6.300 4.280 3.631 4.584 . 0 0 "[ . 1 . 2]" 1
1326 1 101 THR HB 1 102 PHE H 5.900 . 5.900 3.841 2.952 4.437 . 0 0 "[ . 1 . 2]" 1
1327 1 101 THR HB 1 103 GLU HB2 6.300 . 6.300 4.740 3.512 6.287 . 0 0 "[ . 1 . 2]" 1
1328 1 101 THR HB 1 103 GLU HB3 6.300 . 6.300 5.659 4.811 6.370 0.070 14 0 "[ . 1 . 2]" 1
1329 1 101 THR MG 1 102 PHE H 5.460 . 5.460 2.664 1.780 3.952 . 0 0 "[ . 1 . 2]" 1
1330 1 102 PHE QD 1 103 GLU H 6.260 . 6.260 3.682 3.173 4.093 . 0 0 "[ . 1 . 2]" 1
1331 1 102 PHE QD 1 103 GLU HA 5.530 . 5.530 4.648 4.116 5.179 . 0 0 "[ . 1 . 2]" 1
1332 1 102 PHE QD 1 104 VAL HB 6.300 . 6.300 5.319 4.440 6.110 . 0 0 "[ . 1 . 2]" 1
1333 1 102 PHE QD 1 104 VAL QG 5.160 . 5.160 3.301 2.231 3.894 . 0 0 "[ . 1 . 2]" 1
1334 1 102 PHE QE 1 104 VAL HB 6.300 . 6.300 4.694 3.515 5.242 . 0 0 "[ . 1 . 2]" 1
1335 1 102 PHE QE 1 104 VAL MG1 5.160 . 5.160 4.622 4.154 5.110 . 0 0 "[ . 1 . 2]" 1
1336 1 102 PHE QE 1 104 VAL QG 4.480 . 4.480 2.572 2.135 3.070 . 0 0 "[ . 1 . 2]" 1
1337 1 102 PHE QE 1 104 VAL MG2 5.160 . 5.160 2.587 2.142 3.097 . 0 0 "[ . 1 . 2]" 1
1338 1 102 PHE HZ 1 104 VAL QG 5.930 . 5.930 3.046 2.466 3.942 . 0 0 "[ . 1 . 2]" 1
1339 1 103 GLU H 1 104 VAL HA 5.210 . 5.210 4.998 4.766 5.222 0.012 1 0 "[ . 1 . 2]" 1
1340 1 103 GLU HA 1 104 VAL HB 6.300 . 6.300 4.668 4.471 4.788 . 0 0 "[ . 1 . 2]" 1
1341 1 103 GLU HA 1 104 VAL QG 6.220 . 6.220 3.713 3.411 3.999 . 0 0 "[ . 1 . 2]" 1
1342 1 103 GLU QB 1 104 VAL QG 6.020 . 6.020 4.541 4.240 4.724 . 0 0 "[ . 1 . 2]" 1
1343 1 103 GLU HB2 1 104 VAL H 6.300 . 6.300 4.274 3.576 4.521 . 0 0 "[ . 1 . 2]" 1
1344 1 103 GLU HB3 1 104 VAL H 6.300 . 6.300 4.119 2.777 4.500 . 0 0 "[ . 1 . 2]" 1
1345 1 103 GLU QG 1 104 VAL H 5.510 . 5.510 3.279 2.470 4.435 . 0 0 "[ . 1 . 2]" 1
1346 1 104 VAL H 1 105 GLU QG 6.300 . 6.300 5.461 4.084 6.639 0.339 14 0 "[ . 1 . 2]" 1
1347 1 104 VAL HB 1 105 GLU H 6.300 . 6.300 4.412 4.046 4.485 . 0 0 "[ . 1 . 2]" 1
1348 1 104 VAL HB 1 105 GLU HA 6.300 . 6.300 4.956 4.590 5.160 . 0 0 "[ . 1 . 2]" 1
1349 1 104 VAL QG 1 105 GLU H 4.780 . 4.780 3.118 2.523 3.237 . 0 0 "[ . 1 . 2]" 1
1350 1 104 VAL QG 1 105 GLU HA 6.220 . 6.220 3.927 3.412 4.146 . 0 0 "[ . 1 . 2]" 1
1351 1 104 VAL QG 1 105 GLU QB 6.020 . 6.020 4.462 4.124 4.654 . 0 0 "[ . 1 . 2]" 1
1352 1 104 VAL MG1 1 105 GLU H 6.260 . 6.260 3.206 2.546 3.347 . 0 0 "[ . 1 . 2]" 1
1353 1 104 VAL MG2 1 105 GLU H 6.260 . 6.260 4.289 4.094 4.397 . 0 0 "[ . 1 . 2]" 1
1354 1 105 GLU H 1 106 VAL H 6.300 . 6.300 4.370 4.162 4.490 . 0 0 "[ . 1 . 2]" 1
1355 1 105 GLU H 1 106 VAL HA 5.690 . 5.690 5.065 4.688 5.252 . 0 0 "[ . 1 . 2]" 1
1356 1 105 GLU H 1 107 ILE H 6.300 . 6.300 6.182 5.800 6.324 0.024 4 0 "[ . 1 . 2]" 1
1357 1 105 GLU HA 1 106 VAL HB 6.300 . 6.300 4.808 4.604 4.947 . 0 0 "[ . 1 . 2]" 1
1358 1 105 GLU HA 1 106 VAL MG2 6.300 . 6.300 3.365 3.204 3.595 . 0 0 "[ . 1 . 2]" 1
1359 1 105 GLU HA 1 107 ILE MD 6.300 . 6.300 4.862 4.242 6.100 . 0 0 "[ . 1 . 2]" 1
1360 1 105 GLU QB 1 106 VAL MG2 6.100 . 6.100 4.705 4.558 4.851 . 0 0 "[ . 1 . 2]" 1
1361 1 105 GLU QG 1 106 VAL HA 6.300 . 6.300 5.131 4.041 6.041 . 0 0 "[ . 1 . 2]" 1
1362 1 105 GLU QG 1 107 ILE QG 6.100 . 6.100 3.901 2.105 5.927 . 0 0 "[ . 1 . 2]" 1
1363 1 106 VAL H 1 107 ILE H 6.300 . 6.300 4.237 4.152 4.309 . 0 0 "[ . 1 . 2]" 1
1364 1 106 VAL HA 1 107 ILE MD 6.300 . 6.300 4.404 2.923 5.306 . 0 0 "[ . 1 . 2]" 1
1365 1 106 VAL HA 1 107 ILE QG 6.100 . 6.100 4.066 3.707 4.994 . 0 0 "[ . 1 . 2]" 1
1366 1 106 VAL HB 1 107 ILE H 6.300 . 6.300 4.329 4.255 4.400 . 0 0 "[ . 1 . 2]" 1
1367 1 106 VAL HB 1 108 LEU MD2 6.300 . 6.300 3.965 3.524 4.484 . 0 0 "[ . 1 . 2]" 1
1368 1 106 VAL MG1 1 107 ILE H 5.170 . 5.170 3.283 3.161 3.372 . 0 0 "[ . 1 . 2]" 1
1369 1 106 VAL MG1 1 108 LEU HG 4.900 . 4.900 2.371 1.800 2.927 . 0 0 "[ . 1 . 2]" 1
1370 1 107 ILE H 1 107 ILE MD 5.720 . 5.720 3.264 1.849 3.876 . 0 0 "[ . 1 . 2]" 1
1371 1 107 ILE H 1 108 LEU MD2 6.300 . 6.300 4.259 3.757 4.631 . 0 0 "[ . 1 . 2]" 1
1372 1 107 ILE H 1 108 LEU HG 6.300 . 6.300 4.576 4.033 5.208 . 0 0 "[ . 1 . 2]" 1
1373 1 107 ILE HA 1 108 LEU MD1 6.300 . 6.300 5.286 4.972 5.591 . 0 0 "[ . 1 . 2]" 1
1374 1 107 ILE HA 1 108 LEU MD2 6.300 . 6.300 4.648 4.287 4.986 . 0 0 "[ . 1 . 2]" 1
1375 1 107 ILE HB 1 108 LEU H 6.300 . 6.300 4.463 4.386 4.512 . 0 0 "[ . 1 . 2]" 1
1376 1 107 ILE MD 1 108 LEU H 6.300 . 6.300 4.465 3.877 5.644 . 0 0 "[ . 1 . 2]" 1
1377 1 107 ILE MG 1 108 LEU H 5.540 . 5.540 3.394 3.181 3.531 . 0 0 "[ . 1 . 2]" 1
1378 1 107 ILE MG 1 108 LEU HA 6.160 . 6.160 4.128 3.902 4.371 . 0 0 "[ . 1 . 2]" 1
1379 1 107 ILE MG 1 109 GLU HA 6.300 . 6.300 4.294 3.927 4.859 . 0 0 "[ . 1 . 2]" 1
1380 1 107 ILE MG 1 109 GLU QG 5.820 . 5.820 2.230 1.747 3.238 . 0 0 "[ . 1 . 2]" 1
1381 1 108 LEU H 1 108 LEU HG 5.500 . 5.500 2.587 2.275 2.818 . 0 0 "[ . 1 . 2]" 1
1382 1 108 LEU H 1 109 GLU QG 6.100 . 6.100 4.498 3.900 5.315 . 0 0 "[ . 1 . 2]" 1
1383 1 108 LEU HA 1 109 GLU QB 6.100 . 6.100 4.519 4.400 4.762 . 0 0 "[ . 1 . 2]" 1
1384 1 108 LEU HA 1 109 GLU QG 5.820 . 5.820 4.006 3.530 4.290 . 0 0 "[ . 1 . 2]" 1
1385 1 108 LEU QB 1 110 LEU MD1 5.650 . 5.650 2.552 1.754 4.295 . 0 0 "[ . 1 . 2]" 1
1386 1 108 LEU HB2 1 109 GLU HA 6.300 . 6.300 4.968 4.783 5.123 . 0 0 "[ . 1 . 2]" 1
1387 1 108 LEU HB3 1 109 GLU HA 6.300 . 6.300 5.037 4.849 5.240 . 0 0 "[ . 1 . 2]" 1
1388 1 108 LEU MD1 1 110 LEU H 6.300 . 6.300 6.034 5.613 6.408 0.108 14 0 "[ . 1 . 2]" 1
1389 1 108 LEU MD2 1 109 GLU QG 6.100 . 6.100 5.341 4.761 5.588 . 0 0 "[ . 1 . 2]" 1
1390 1 109 GLU HA 1 110 LEU QB 6.300 . 6.300 4.577 4.412 4.709 . 0 0 "[ . 1 . 2]" 1
1391 1 109 GLU HA 1 110 LEU HG 6.300 . 6.300 5.689 4.873 6.460 0.160 16 0 "[ . 1 . 2]" 1
1392 1 109 GLU QB 1 110 LEU HA 6.100 . 6.100 4.468 4.263 4.747 . 0 0 "[ . 1 . 2]" 1
1393 1 109 GLU QB 1 110 LEU MD1 4.650 . 4.650 4.500 3.763 4.882 0.232 4 0 "[ . 1 . 2]" 1
1394 1 109 GLU QB 1 110 LEU MD2 6.100 . 6.100 5.680 3.497 6.437 0.337 3 0 "[ . 1 . 2]" 1
1395 1 109 GLU HB2 1 110 LEU H 6.300 . 6.300 4.448 3.812 4.541 . 0 0 "[ . 1 . 2]" 1
1396 1 109 GLU HB3 1 110 LEU H 6.300 . 6.300 4.093 3.765 4.476 . 0 0 "[ . 1 . 2]" 1
1397 1 109 GLU QG 1 110 LEU MD1 6.100 . 6.100 5.063 4.148 6.128 0.028 1 0 "[ . 1 . 2]" 1
1398 1 110 LEU H 1 111 GLU H 5.550 . 5.550 3.457 2.096 4.442 . 0 0 "[ . 1 . 2]" 1
1399 1 110 LEU QB 1 111 GLU H 5.940 . 5.940 3.540 2.201 3.932 . 0 0 "[ . 1 . 2]" 1
1400 1 110 LEU QB 1 111 GLU HA 6.300 . 6.300 4.422 3.964 5.041 . 0 0 "[ . 1 . 2]" 1
1401 1 110 LEU MD1 1 111 GLU HA 6.120 . 6.120 5.952 5.342 6.228 0.108 10 0 "[ . 1 . 2]" 1
1402 1 110 LEU MD2 1 111 GLU H 6.300 . 6.300 5.136 3.790 5.708 . 0 0 "[ . 1 . 2]" 1
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