NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
425608 |
2gmg   |
7074 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2gmg
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 875
_Distance_constraint_stats_list.Viol_count 535
_Distance_constraint_stats_list.Viol_total 666.761
_Distance_constraint_stats_list.Viol_max 0.499
_Distance_constraint_stats_list.Viol_rms 0.0379
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0076
_Distance_constraint_stats_list.Viol_average_violations_only 0.1246
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 SER 0.008 0.008 9 0 "[ . 1]"
1 11 THR 1.798 0.430 5 0 "[ . 1]"
1 12 ARG 0.000 0.000 . 0 "[ . 1]"
1 13 ARG 0.008 0.008 9 0 "[ . 1]"
1 14 GLU 0.000 0.000 . 0 "[ . 1]"
1 15 LYS 0.804 0.288 1 0 "[ . 1]"
1 16 ILE 1.668 0.274 2 0 "[ . 1]"
1 17 ILE 0.000 0.000 . 0 "[ . 1]"
1 18 GLU 0.441 0.142 1 0 "[ . 1]"
1 19 LEU 3.908 0.392 3 0 "[ . 1]"
1 20 LEU 1.418 0.148 9 0 "[ . 1]"
1 21 LEU 0.100 0.100 3 0 "[ . 1]"
1 22 GLU 0.013 0.013 8 0 "[ . 1]"
1 23 GLY 1.728 0.234 9 0 "[ . 1]"
1 24 ASP 0.313 0.102 4 0 "[ . 1]"
1 25 TYR 1.320 0.193 7 0 "[ . 1]"
1 26 SER 1.674 0.318 9 0 "[ . 1]"
1 27 PRO 0.000 0.000 . 0 "[ . 1]"
1 28 SER 0.000 0.000 . 0 "[ . 1]"
1 29 GLU 0.063 0.063 8 0 "[ . 1]"
1 30 LEU 3.967 0.392 3 0 "[ . 1]"
1 31 ALA 2.067 0.372 5 0 "[ . 1]"
1 32 ARG 1.095 0.221 1 0 "[ . 1]"
1 33 ILE 2.796 0.288 1 0 "[ . 1]"
1 34 LEU 2.711 0.430 5 0 "[ . 1]"
1 35 ASP 0.590 0.286 3 0 "[ . 1]"
1 36 MET 2.664 0.372 5 0 "[ . 1]"
1 42 LYS 0.538 0.280 2 0 "[ . 1]"
1 43 LYS 0.000 0.000 . 0 "[ . 1]"
1 44 VAL 0.049 0.049 5 0 "[ . 1]"
1 45 ILE 0.000 0.000 . 0 "[ . 1]"
1 46 LEU 4.164 0.392 5 0 "[ . 1]"
1 47 GLU 5.713 0.280 4 0 "[ . 1]"
1 48 ASP 1.570 0.399 7 0 "[ . 1]"
1 49 LEU 4.286 0.399 7 0 "[ . 1]"
1 50 LYS 1.531 0.261 4 0 "[ . 1]"
1 51 VAL 0.000 0.000 . 0 "[ . 1]"
1 52 ILE 0.016 0.016 5 0 "[ . 1]"
1 53 SER 1.891 0.340 7 0 "[ . 1]"
1 54 LYS 0.283 0.173 9 0 "[ . 1]"
1 55 ILE 0.255 0.173 9 0 "[ . 1]"
1 56 ALA 0.000 0.000 . 0 "[ . 1]"
1 57 LYS 0.110 0.110 1 0 "[ . 1]"
1 58 ARG 0.502 0.105 2 0 "[ . 1]"
1 59 GLU 1.646 0.313 10 0 "[ . 1]"
1 60 GLY 0.000 0.000 . 0 "[ . 1]"
1 61 MET 2.390 0.350 7 0 "[ . 1]"
1 62 VAL 0.000 0.000 . 0 "[ . 1]"
1 63 LEU 1.479 0.239 8 0 "[ . 1]"
1 64 LEU 0.000 0.000 . 0 "[ . 1]"
1 65 ILE 1.365 0.218 5 0 "[ . 1]"
1 66 LYS 0.000 0.000 . 0 "[ . 1]"
1 67 PRO 1.859 0.159 9 0 "[ . 1]"
1 68 ALA 0.100 0.076 1 0 "[ . 1]"
1 69 GLN 2.463 0.300 10 0 "[ . 1]"
1 70 CYS 1.036 0.273 2 0 "[ . 1]"
1 71 ARG 0.835 0.221 5 0 "[ . 1]"
1 72 LYS 0.497 0.171 9 0 "[ . 1]"
1 73 CYS 0.542 0.329 7 0 "[ . 1]"
1 74 GLY 1.696 0.223 1 0 "[ . 1]"
1 75 PHE 5.818 0.457 7 0 "[ . 1]"
1 76 VAL 0.357 0.157 6 0 "[ . 1]"
1 77 PHE 6.734 0.321 7 0 "[ . 1]"
1 78 LYS 1.066 0.136 7 0 "[ . 1]"
1 79 ALA 0.239 0.101 9 0 "[ . 1]"
1 80 GLU 0.147 0.116 7 0 "[ . 1]"
1 81 ILE 6.833 0.392 5 0 "[ . 1]"
1 82 ASN 0.798 0.214 7 0 "[ . 1]"
1 83 ILE 3.708 0.365 5 0 "[ . 1]"
1 84 PRO 4.195 0.321 7 0 "[ . 1]"
1 85 SER 0.000 0.000 . 0 "[ . 1]"
1 86 ARG 0.000 0.000 . 0 "[ . 1]"
1 87 CYS 2.457 0.266 6 0 "[ . 1]"
1 88 PRO 3.225 0.457 7 0 "[ . 1]"
1 89 LYS 2.098 0.407 6 0 "[ . 1]"
1 90 CYS 0.542 0.329 7 0 "[ . 1]"
1 91 LYS 0.413 0.273 7 0 "[ . 1]"
1 92 SER 0.910 0.286 9 0 "[ . 1]"
1 93 GLU 1.242 0.499 6 0 "[ . 1]"
1 94 TRP 2.577 0.499 6 0 "[ . 1]"
1 95 ILE 8.983 0.365 5 0 "[ . 1]"
1 96 GLU 0.331 0.111 9 0 "[ . 1]"
1 97 GLU 2.263 0.305 7 0 "[ . 1]"
1 98 PRO 0.504 0.218 5 0 "[ . 1]"
1 99 ARG 0.314 0.159 9 0 "[ . 1]"
1 100 PHE 3.467 0.239 8 0 "[ . 1]"
1 101 LYS 2.172 0.234 9 0 "[ . 1]"
1 102 LEU 2.730 0.340 7 0 "[ . 1]"
1 103 GLU 1.255 0.350 7 0 "[ . 1]"
1 104 ARG 0.000 0.000 . 0 "[ . 1]"
1 105 LYS 0.000 0.000 . 0 "[ . 1]"
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 9 SER HA 1 13 ARG QB 5.810 . 5.810 5.279 4.519 5.818 0.008 9 0 "[ . 1]" 1
2 1 9 SER QB 1 13 ARG QB 5.610 . 5.610 5.132 4.384 5.596 . 0 0 "[ . 1]" 1
3 1 11 THR HA 1 14 GLU H 6.000 . 6.000 3.347 3.091 3.726 . 0 0 "[ . 1]" 1
4 1 11 THR HB 1 13 ARG H 6.000 . 6.000 5.581 5.481 5.753 . 0 0 "[ . 1]" 1
5 1 11 THR HG1 1 13 ARG H 6.000 . 6.000 5.174 4.889 5.728 . 0 0 "[ . 1]" 1
6 1 11 THR HG1 1 15 LYS H 6.000 . 6.000 5.892 5.698 6.012 0.012 2 0 "[ . 1]" 1
7 1 11 THR HG1 1 15 LYS QD 5.810 . 5.810 4.690 4.140 5.257 . 0 0 "[ . 1]" 1
8 1 11 THR HG1 1 15 LYS QG 5.810 . 5.810 5.540 5.190 5.824 0.014 1 0 "[ . 1]" 1
9 1 11 THR HG1 1 34 LEU QD 5.920 . 5.920 6.039 5.567 6.350 0.430 5 0 "[ . 1]" 1
10 1 11 THR MG 1 14 GLU H 6.000 . 6.000 5.041 4.836 5.293 . 0 0 "[ . 1]" 1
11 1 11 THR MG 1 15 LYS H 6.000 . 6.000 5.395 5.237 5.568 . 0 0 "[ . 1]" 1
12 1 12 ARG H 1 13 ARG H 6.000 . 6.000 2.835 2.773 2.985 . 0 0 "[ . 1]" 1
13 1 12 ARG H 1 13 ARG QB 5.810 . 5.810 4.570 4.469 4.747 . 0 0 "[ . 1]" 1
14 1 12 ARG H 1 14 GLU H 6.000 . 6.000 4.126 4.014 4.257 . 0 0 "[ . 1]" 1
15 1 12 ARG HA 1 15 LYS H 6.000 . 6.000 3.515 3.392 3.654 . 0 0 "[ . 1]" 1
16 1 13 ARG H 1 14 GLU H 6.000 . 6.000 2.564 2.517 2.660 . 0 0 "[ . 1]" 1
17 1 13 ARG H 1 16 ILE MD 6.000 . 6.000 3.941 3.609 5.493 . 0 0 "[ . 1]" 1
18 1 13 ARG QB 1 16 ILE MD 5.810 . 5.810 3.832 3.505 5.577 . 0 0 "[ . 1]" 1
19 1 13 ARG HB2 1 14 GLU H 6.000 . 6.000 2.904 2.717 2.992 . 0 0 "[ . 1]" 1
20 1 13 ARG HB3 1 14 GLU H 6.000 . 6.000 3.311 3.171 3.478 . 0 0 "[ . 1]" 1
21 1 13 ARG QG 1 45 ILE MD 6.000 . 6.000 5.609 5.415 5.878 . 0 0 "[ . 1]" 1
22 1 14 GLU H 1 16 ILE MD 6.000 . 6.000 4.687 4.492 5.958 . 0 0 "[ . 1]" 1
23 1 14 GLU HA 1 16 ILE HB 6.000 . 6.000 5.096 5.009 5.401 . 0 0 "[ . 1]" 1
24 1 15 LYS H 1 15 LYS QD 5.810 . 5.810 3.944 3.839 4.195 . 0 0 "[ . 1]" 1
25 1 15 LYS H 1 16 ILE H 6.000 . 6.000 2.630 2.569 2.798 . 0 0 "[ . 1]" 1
26 1 15 LYS HA 1 18 GLU QB 5.810 . 5.810 2.204 2.082 2.293 . 0 0 "[ . 1]" 1
27 1 15 LYS QB 1 34 LEU QD 5.730 . 5.730 3.667 3.005 4.543 . 0 0 "[ . 1]" 1
28 1 15 LYS QD 1 33 ILE MG 5.810 . 5.810 5.329 4.894 5.984 0.174 1 0 "[ . 1]" 1
29 1 15 LYS QG 1 33 ILE MG 6.000 . 6.000 5.957 5.577 6.288 0.288 1 0 "[ . 1]" 1
30 1 16 ILE H 1 17 ILE MG 6.000 . 6.000 4.757 4.307 5.058 . 0 0 "[ . 1]" 1
31 1 16 ILE H 1 18 GLU H 6.000 . 6.000 4.039 3.968 4.160 . 0 0 "[ . 1]" 1
32 1 16 ILE H 1 19 LEU QD 5.920 . 5.920 5.574 4.060 5.976 0.056 5 0 "[ . 1]" 1
33 1 16 ILE HA 1 19 LEU H 6.000 . 6.000 3.868 3.684 4.054 . 0 0 "[ . 1]" 1
34 1 16 ILE HA 1 19 LEU MD1 6.000 . 6.000 5.024 3.951 5.413 . 0 0 "[ . 1]" 1
35 1 16 ILE HA 1 19 LEU MD2 6.000 . 6.000 5.124 2.485 6.089 0.089 2 0 "[ . 1]" 1
36 1 16 ILE HA 1 20 LEU QB 5.810 . 5.810 4.031 3.787 4.689 . 0 0 "[ . 1]" 1
37 1 16 ILE HA 1 20 LEU MD1 6.000 . 6.000 3.389 2.922 5.182 . 0 0 "[ . 1]" 1
38 1 16 ILE HA 1 20 LEU MD2 6.000 . 6.000 5.188 2.433 5.847 . 0 0 "[ . 1]" 1
39 1 16 ILE HA 1 20 LEU HG 6.000 . 6.000 5.558 4.289 6.043 0.043 8 0 "[ . 1]" 1
40 1 16 ILE HA 1 30 LEU MD1 6.000 . 6.000 4.813 4.573 5.116 . 0 0 "[ . 1]" 1
41 1 16 ILE HA 1 30 LEU MD2 6.000 . 6.000 2.740 2.604 2.995 . 0 0 "[ . 1]" 1
42 1 16 ILE HA 1 102 LEU QD 5.920 . 5.920 5.975 5.721 6.194 0.274 2 0 "[ . 1]" 1
43 1 16 ILE HB 1 18 GLU H 6.000 . 6.000 4.904 4.822 5.067 . 0 0 "[ . 1]" 1
44 1 16 ILE HB 1 30 LEU QD 5.920 . 5.920 4.312 3.983 4.589 . 0 0 "[ . 1]" 1
45 1 16 ILE MD 1 18 GLU H 6.000 . 6.000 5.940 5.102 6.142 0.142 1 0 "[ . 1]" 1
46 1 16 ILE MG 1 19 LEU QD 5.920 . 5.920 5.338 3.784 5.793 . 0 0 "[ . 1]" 1
47 1 16 ILE MG 1 20 LEU QD 5.920 . 5.920 2.038 1.798 2.418 0.002 1 0 "[ . 1]" 1
48 1 16 ILE MG 1 20 LEU HG 6.000 . 6.000 4.355 2.708 4.806 . 0 0 "[ . 1]" 1
49 1 16 ILE MG 1 49 LEU HA 6.000 . 6.000 4.720 4.492 4.908 . 0 0 "[ . 1]" 1
50 1 16 ILE MG 1 49 LEU MD1 6.000 . 6.000 4.649 4.520 4.770 . 0 0 "[ . 1]" 1
51 1 16 ILE MG 1 49 LEU MD2 6.000 . 6.000 3.539 3.038 3.959 . 0 0 "[ . 1]" 1
52 1 16 ILE MG 1 49 LEU HG 6.000 . 6.000 4.702 3.871 5.932 . 0 0 "[ . 1]" 1
53 1 17 ILE H 1 18 GLU H 6.000 . 6.000 2.802 2.769 2.866 . 0 0 "[ . 1]" 1
54 1 17 ILE H 1 20 LEU QD 5.920 . 5.920 4.759 4.364 4.970 . 0 0 "[ . 1]" 1
55 1 17 ILE HA 1 20 LEU H 6.000 . 6.000 3.996 3.839 4.277 . 0 0 "[ . 1]" 1
56 1 17 ILE HA 1 21 LEU H 6.000 . 6.000 4.842 4.638 5.100 . 0 0 "[ . 1]" 1
57 1 17 ILE HB 1 102 LEU QD 5.920 . 5.920 3.816 3.346 4.351 . 0 0 "[ . 1]" 1
58 1 18 GLU H 1 19 LEU H 6.000 . 6.000 2.069 1.996 2.233 . 0 0 "[ . 1]" 1
59 1 18 GLU H 1 19 LEU HA 6.000 . 6.000 4.753 4.696 4.954 . 0 0 "[ . 1]" 1
60 1 18 GLU HA 1 21 LEU H 6.000 . 6.000 4.364 4.260 4.568 . 0 0 "[ . 1]" 1
61 1 19 LEU H 1 19 LEU HG 5.650 . 5.650 3.864 2.107 4.343 . 0 0 "[ . 1]" 1
62 1 19 LEU H 1 20 LEU H 6.000 . 6.000 2.319 2.249 2.462 . 0 0 "[ . 1]" 1
63 1 19 LEU H 1 20 LEU HG 6.000 . 6.000 5.898 4.724 6.148 0.148 9 0 "[ . 1]" 1
64 1 19 LEU H 1 30 LEU QD 5.920 . 5.920 4.761 4.449 5.357 . 0 0 "[ . 1]" 1
65 1 19 LEU H 1 33 ILE MG 6.000 . 6.000 6.068 5.939 6.203 0.203 7 0 "[ . 1]" 1
66 1 19 LEU HA 1 21 LEU H 6.000 . 6.000 3.953 3.835 4.244 . 0 0 "[ . 1]" 1
67 1 19 LEU HA 1 21 LEU QB 5.570 . 5.570 4.918 4.783 5.182 . 0 0 "[ . 1]" 1
68 1 19 LEU HA 1 22 GLU H 6.000 . 6.000 3.994 3.648 4.277 . 0 0 "[ . 1]" 1
69 1 19 LEU HA 1 25 TYR QD 6.000 . 6.000 6.061 5.799 6.193 0.193 7 0 "[ . 1]" 1
70 1 19 LEU HA 1 33 ILE MD 6.000 . 6.000 5.899 5.637 6.222 0.222 2 0 "[ . 1]" 1
71 1 19 LEU QB 1 20 LEU HA 5.810 . 5.810 3.974 3.815 4.524 . 0 0 "[ . 1]" 1
72 1 19 LEU QB 1 20 LEU QB 5.610 . 5.610 4.294 4.000 5.158 . 0 0 "[ . 1]" 1
73 1 19 LEU QB 1 20 LEU QD 5.730 . 5.730 3.852 2.510 4.695 . 0 0 "[ . 1]" 1
74 1 19 LEU QB 1 20 LEU HG 5.810 . 5.810 4.946 4.581 5.503 . 0 0 "[ . 1]" 1
75 1 19 LEU QB 1 21 LEU H 5.810 . 5.810 4.797 4.632 5.160 . 0 0 "[ . 1]" 1
76 1 19 LEU QB 1 23 GLY H 5.810 . 5.810 5.379 4.846 5.637 . 0 0 "[ . 1]" 1
77 1 19 LEU QB 1 25 TYR QD 5.810 . 5.810 4.291 4.021 4.508 . 0 0 "[ . 1]" 1
78 1 19 LEU QB 1 30 LEU HA 5.810 . 5.810 5.565 5.171 6.202 0.392 3 0 "[ . 1]" 1
79 1 19 LEU QB 1 33 ILE MD 4.880 . 4.880 4.373 3.834 4.813 . 0 0 "[ . 1]" 1
80 1 19 LEU QD 1 20 LEU H 5.920 . 5.920 4.084 3.093 4.391 . 0 0 "[ . 1]" 1
81 1 19 LEU QD 1 20 LEU HA 5.920 . 5.920 4.195 3.197 4.728 . 0 0 "[ . 1]" 1
82 1 19 LEU QD 1 20 LEU QB 5.180 . 5.180 4.744 3.440 5.143 . 0 0 "[ . 1]" 1
83 1 19 LEU QD 1 20 LEU QD 5.730 . 5.730 3.900 2.478 4.580 . 0 0 "[ . 1]" 1
84 1 19 LEU QD 1 22 GLU QB 5.720 . 5.720 4.452 4.074 5.229 . 0 0 "[ . 1]" 1
85 1 19 LEU QD 1 23 GLY H 5.920 . 5.920 4.999 4.772 5.129 . 0 0 "[ . 1]" 1
86 1 19 LEU QD 1 23 GLY QA 5.720 . 5.720 5.102 4.867 5.265 . 0 0 "[ . 1]" 1
87 1 19 LEU QD 1 25 TYR QB 4.940 . 4.940 3.761 2.704 4.152 . 0 0 "[ . 1]" 1
88 1 19 LEU QD 1 25 TYR QE 5.920 . 5.920 3.151 2.874 3.433 . 0 0 "[ . 1]" 1
89 1 19 LEU QD 1 33 ILE H 5.920 . 5.920 4.992 4.707 5.379 . 0 0 "[ . 1]" 1
90 1 19 LEU QD 1 33 ILE HB 5.920 . 5.920 3.665 3.322 4.143 . 0 0 "[ . 1]" 1
91 1 19 LEU QD 1 33 ILE MG 5.920 . 5.920 2.290 2.057 2.630 . 0 0 "[ . 1]" 1
92 1 19 LEU MD1 1 30 LEU HA 6.000 . 6.000 5.248 3.204 6.043 0.043 9 0 "[ . 1]" 1
93 1 19 LEU MD2 1 20 LEU HG 6.000 . 6.000 5.434 4.109 6.019 0.019 9 0 "[ . 1]" 1
94 1 19 LEU MD2 1 30 LEU HA 6.000 . 6.000 4.581 3.856 5.024 . 0 0 "[ . 1]" 1
95 1 19 LEU HG 1 20 LEU HA 6.000 . 6.000 5.465 4.069 6.045 0.045 2 0 "[ . 1]" 1
96 1 19 LEU HG 1 25 TYR QD 6.000 . 6.000 5.607 5.065 5.920 . 0 0 "[ . 1]" 1
97 1 19 LEU HG 1 25 TYR QE 6.000 . 6.000 5.415 4.962 6.114 0.114 3 0 "[ . 1]" 1
98 1 20 LEU H 1 21 LEU H 6.000 . 6.000 2.588 2.441 2.862 . 0 0 "[ . 1]" 1
99 1 20 LEU H 1 21 LEU HA 6.000 . 6.000 5.092 4.902 5.422 . 0 0 "[ . 1]" 1
100 1 20 LEU H 1 22 GLU H 6.000 . 6.000 4.242 4.162 4.442 . 0 0 "[ . 1]" 1
101 1 20 LEU HA 1 22 GLU H 6.000 . 6.000 3.768 3.680 4.064 . 0 0 "[ . 1]" 1
102 1 20 LEU HA 1 23 GLY H 6.000 . 6.000 3.322 3.198 3.444 . 0 0 "[ . 1]" 1
103 1 20 LEU HA 1 102 LEU H 6.000 . 6.000 5.415 5.000 5.718 . 0 0 "[ . 1]" 1
104 1 20 LEU QB 1 24 ASP HA 5.810 . 5.810 5.133 4.621 5.304 . 0 0 "[ . 1]" 1
105 1 20 LEU QB 1 102 LEU QD 5.280 . 5.280 2.575 2.220 2.900 . 0 0 "[ . 1]" 1
106 1 20 LEU QD 1 24 ASP HA 5.920 . 5.920 3.458 2.552 3.766 . 0 0 "[ . 1]" 1
107 1 20 LEU QD 1 25 TYR QB 5.280 . 5.280 3.243 2.246 3.626 . 0 0 "[ . 1]" 1
108 1 20 LEU QD 1 25 TYR QD 5.920 . 5.920 4.157 2.846 4.513 . 0 0 "[ . 1]" 1
109 1 20 LEU QD 1 30 LEU QD 5.840 . 5.840 1.791 1.696 1.877 0.104 10 0 "[ . 1]" 1
110 1 20 LEU QD 1 49 LEU QD 5.280 . 5.280 3.333 2.842 4.393 . 0 0 "[ . 1]" 1
111 1 20 LEU QD 1 63 LEU QD 5.840 . 5.840 3.313 2.870 4.532 . 0 0 "[ . 1]" 1
112 1 20 LEU QD 1 100 PHE HA 5.920 . 5.920 4.197 3.939 4.868 . 0 0 "[ . 1]" 1
113 1 20 LEU QD 1 101 LYS H 5.920 . 5.920 3.944 3.510 4.746 . 0 0 "[ . 1]" 1
114 1 20 LEU QD 1 101 LYS HA 5.920 . 5.920 2.608 2.084 3.234 . 0 0 "[ . 1]" 1
115 1 20 LEU QD 1 101 LYS QB 5.730 . 5.730 4.320 3.963 4.680 . 0 0 "[ . 1]" 1
116 1 20 LEU QD 1 101 LYS QD 5.730 . 5.730 5.242 4.911 5.532 . 0 0 "[ . 1]" 1
117 1 20 LEU QD 1 101 LYS QE 5.920 . 5.920 5.074 4.564 5.354 . 0 0 "[ . 1]" 1
118 1 20 LEU QD 1 101 LYS QG 5.730 . 5.730 3.619 3.252 3.811 . 0 0 "[ . 1]" 1
119 1 20 LEU QD 1 102 LEU H 5.920 . 5.920 3.732 3.050 4.572 . 0 0 "[ . 1]" 1
120 1 20 LEU QD 1 102 LEU QB 5.730 . 5.730 3.888 2.969 5.076 . 0 0 "[ . 1]" 1
121 1 20 LEU QD 1 102 LEU QD 5.810 . 5.810 2.585 2.049 4.018 . 0 0 "[ . 1]" 1
122 1 20 LEU MD1 1 25 TYR H 6.000 . 6.000 3.873 2.055 4.889 . 0 0 "[ . 1]" 1
123 1 20 LEU MD1 1 100 PHE H 6.000 . 6.000 5.241 3.773 5.816 . 0 0 "[ . 1]" 1
124 1 20 LEU MD1 1 100 PHE HB2 6.000 . 6.000 3.849 3.448 4.373 . 0 0 "[ . 1]" 1
125 1 20 LEU MD1 1 100 PHE HB3 6.000 . 6.000 4.236 3.640 4.773 . 0 0 "[ . 1]" 1
126 1 20 LEU MD2 1 25 TYR H 6.000 . 6.000 3.670 2.339 3.993 . 0 0 "[ . 1]" 1
127 1 20 LEU MD2 1 100 PHE H 6.000 . 6.000 4.208 3.734 5.946 . 0 0 "[ . 1]" 1
128 1 20 LEU MD2 1 100 PHE HB2 6.000 . 6.000 3.011 2.443 5.276 . 0 0 "[ . 1]" 1
129 1 20 LEU MD2 1 100 PHE HB3 6.000 . 6.000 3.096 2.326 6.047 0.047 9 0 "[ . 1]" 1
130 1 20 LEU HG 1 21 LEU H 6.000 . 6.000 5.190 5.076 5.931 . 0 0 "[ . 1]" 1
131 1 20 LEU HG 1 49 LEU QD 5.920 . 5.920 5.660 4.737 6.000 0.080 5 0 "[ . 1]" 1
132 1 20 LEU HG 1 63 LEU QD 5.920 . 5.920 5.674 5.030 6.041 0.121 6 0 "[ . 1]" 1
133 1 21 LEU H 1 22 GLU H 6.000 . 6.000 2.381 2.339 2.462 . 0 0 "[ . 1]" 1
134 1 21 LEU H 1 22 GLU QB 5.810 . 5.810 4.085 4.028 4.222 . 0 0 "[ . 1]" 1
135 1 21 LEU H 1 23 GLY H 6.000 . 6.000 3.950 3.886 3.989 . 0 0 "[ . 1]" 1
136 1 21 LEU H 1 102 LEU QD 5.920 . 5.920 4.429 4.050 4.763 . 0 0 "[ . 1]" 1
137 1 21 LEU HA 1 101 LYS HA 6.000 . 6.000 5.158 4.702 5.472 . 0 0 "[ . 1]" 1
138 1 21 LEU HA 1 102 LEU H 6.000 . 6.000 3.474 3.164 3.753 . 0 0 "[ . 1]" 1
139 1 21 LEU HA 1 102 LEU QB 5.810 . 5.810 2.945 2.719 3.201 . 0 0 "[ . 1]" 1
140 1 21 LEU HA 1 102 LEU QD 5.920 . 5.920 3.982 3.704 4.355 . 0 0 "[ . 1]" 1
141 1 21 LEU QB 1 22 GLU QG 5.610 . 5.610 3.693 3.534 4.042 . 0 0 "[ . 1]" 1
142 1 21 LEU HB2 1 23 GLY H 6.000 . 6.000 5.625 5.511 5.706 . 0 0 "[ . 1]" 1
143 1 21 LEU HB3 1 23 GLY H 6.000 . 6.000 5.458 5.311 5.512 . 0 0 "[ . 1]" 1
144 1 21 LEU QD 1 22 GLU QG 5.730 . 5.730 4.303 4.028 4.548 . 0 0 "[ . 1]" 1
145 1 21 LEU QD 1 61 MET QB 5.720 . 5.720 4.821 4.334 5.325 . 0 0 "[ . 1]" 1
146 1 21 LEU QD 1 61 MET ME 5.920 . 5.920 2.872 1.940 3.489 . 0 0 "[ . 1]" 1
147 1 21 LEU QD 1 61 MET QG 5.280 . 5.280 4.615 4.087 5.233 . 0 0 "[ . 1]" 1
148 1 21 LEU QD 1 103 GLU H 5.920 . 5.920 4.871 4.546 5.157 . 0 0 "[ . 1]" 1
149 1 21 LEU QD 1 103 GLU HA 5.920 . 5.920 4.201 3.627 4.677 . 0 0 "[ . 1]" 1
150 1 21 LEU QD 1 103 GLU QB 5.720 . 5.720 5.464 4.923 5.820 0.100 3 0 "[ . 1]" 1
151 1 21 LEU QD 1 103 GLU QG 5.730 . 5.730 5.245 4.870 5.575 . 0 0 "[ . 1]" 1
152 1 21 LEU QD 1 104 ARG H 5.920 . 5.920 3.986 3.356 4.629 . 0 0 "[ . 1]" 1
153 1 21 LEU QD 1 104 ARG QD 5.730 . 5.730 2.940 2.260 3.916 . 0 0 "[ . 1]" 1
154 1 22 GLU H 1 23 GLY H 6.000 . 6.000 2.157 2.136 2.201 . 0 0 "[ . 1]" 1
155 1 22 GLU HB2 1 23 GLY H 6.000 . 6.000 3.253 3.207 3.381 . 0 0 "[ . 1]" 1
156 1 22 GLU HB2 1 25 TYR QE 6.000 . 6.000 5.844 5.600 6.013 0.013 8 0 "[ . 1]" 1
157 1 22 GLU HB3 1 23 GLY H 6.000 . 6.000 3.556 3.471 3.618 . 0 0 "[ . 1]" 1
158 1 22 GLU HB3 1 25 TYR QE 6.000 . 6.000 5.646 5.475 5.871 . 0 0 "[ . 1]" 1
159 1 23 GLY H 1 24 ASP H 6.000 . 6.000 4.343 4.300 4.426 . 0 0 "[ . 1]" 1
160 1 23 GLY H 1 25 TYR QD 6.000 . 6.000 4.681 4.562 4.814 . 0 0 "[ . 1]" 1
161 1 23 GLY H 1 25 TYR QE 6.000 . 6.000 4.945 4.595 5.211 . 0 0 "[ . 1]" 1
162 1 23 GLY H 1 101 LYS HA 6.000 . 6.000 6.057 5.884 6.234 0.234 9 0 "[ . 1]" 1
163 1 23 GLY H 1 101 LYS QD 5.810 . 5.810 5.846 5.514 5.977 0.167 6 0 "[ . 1]" 1
164 1 23 GLY H 1 101 LYS QE 6.000 . 6.000 4.219 3.698 5.736 . 0 0 "[ . 1]" 1
165 1 23 GLY H 1 101 LYS QG 5.810 . 5.810 4.721 4.404 5.300 . 0 0 "[ . 1]" 1
166 1 23 GLY HA2 1 25 TYR QE 6.000 . 6.000 5.414 5.177 5.665 . 0 0 "[ . 1]" 1
167 1 23 GLY HA2 1 101 LYS QE 6.000 . 6.000 2.767 2.470 3.743 . 0 0 "[ . 1]" 1
168 1 23 GLY HA3 1 25 TYR QE 6.000 . 6.000 3.715 3.492 3.963 . 0 0 "[ . 1]" 1
169 1 23 GLY HA3 1 101 LYS QE 6.000 . 6.000 4.105 3.845 4.931 . 0 0 "[ . 1]" 1
170 1 24 ASP H 1 25 TYR H 6.000 . 6.000 4.387 4.336 4.444 . 0 0 "[ . 1]" 1
171 1 24 ASP H 1 101 LYS QD 5.810 . 5.810 5.252 5.069 5.668 . 0 0 "[ . 1]" 1
172 1 24 ASP H 1 101 LYS QE 6.000 . 6.000 3.361 3.079 3.673 . 0 0 "[ . 1]" 1
173 1 24 ASP H 1 101 LYS QG 5.810 . 5.810 4.304 4.080 4.562 . 0 0 "[ . 1]" 1
174 1 24 ASP HA 1 101 LYS HA 6.000 . 6.000 4.262 3.866 4.659 . 0 0 "[ . 1]" 1
175 1 24 ASP HA 1 101 LYS QD 5.810 . 5.810 4.933 4.716 5.401 . 0 0 "[ . 1]" 1
176 1 24 ASP QB 1 101 LYS QB 4.940 . 4.940 3.878 3.433 4.486 . 0 0 "[ . 1]" 1
177 1 24 ASP QB 1 101 LYS QG 5.620 . 5.620 2.206 1.698 3.286 0.102 4 0 "[ . 1]" 1
178 1 25 TYR H 1 30 LEU QD 5.920 . 5.920 3.670 3.444 4.021 . 0 0 "[ . 1]" 1
179 1 25 TYR H 1 101 LYS QE 6.000 . 6.000 5.673 5.415 6.131 0.131 10 0 "[ . 1]" 1
180 1 25 TYR H 1 101 LYS QG 5.810 . 5.810 4.769 4.441 5.198 . 0 0 "[ . 1]" 1
181 1 25 TYR HA 1 25 TYR QE 6.000 . 6.000 4.566 4.525 4.660 . 0 0 "[ . 1]" 1
182 1 25 TYR HA 1 29 GLU QB 5.810 . 5.810 3.337 3.252 3.452 . 0 0 "[ . 1]" 1
183 1 25 TYR QB 1 29 GLU H 5.810 . 5.810 4.485 4.418 4.627 . 0 0 "[ . 1]" 1
184 1 25 TYR QB 1 29 GLU QB 5.610 . 5.610 2.228 2.059 2.509 . 0 0 "[ . 1]" 1
185 1 25 TYR QB 1 30 LEU QB 5.610 . 5.610 4.039 3.828 4.262 . 0 0 "[ . 1]" 1
186 1 25 TYR QB 1 30 LEU QD 4.940 . 4.940 2.589 2.265 2.854 . 0 0 "[ . 1]" 1
187 1 25 TYR QB 1 31 ALA H 5.810 . 5.810 5.579 5.345 5.855 0.045 2 0 "[ . 1]" 1
188 1 25 TYR QB 1 33 ILE MG 5.810 . 5.810 4.001 3.785 4.151 . 0 0 "[ . 1]" 1
189 1 25 TYR HB2 1 26 SER H 6.000 . 6.000 4.079 4.025 4.116 . 0 0 "[ . 1]" 1
190 1 25 TYR HB2 1 30 LEU H 6.000 . 6.000 4.581 4.336 4.803 . 0 0 "[ . 1]" 1
191 1 25 TYR HB3 1 26 SER H 6.000 . 6.000 2.875 2.806 2.947 . 0 0 "[ . 1]" 1
192 1 25 TYR HB3 1 30 LEU H 6.000 . 6.000 3.283 3.081 3.494 . 0 0 "[ . 1]" 1
193 1 25 TYR QD 1 26 SER H 6.000 . 6.000 3.396 3.248 3.566 . 0 0 "[ . 1]" 1
194 1 25 TYR QD 1 30 LEU H 6.000 . 6.000 4.523 4.360 4.715 . 0 0 "[ . 1]" 1
195 1 25 TYR QD 1 30 LEU QB 5.810 . 5.810 5.614 5.406 5.869 0.059 9 0 "[ . 1]" 1
196 1 25 TYR QD 1 30 LEU MD1 6.000 . 6.000 4.459 4.125 4.754 . 0 0 "[ . 1]" 1
197 1 25 TYR QD 1 30 LEU MD2 6.000 . 6.000 5.031 4.580 5.482 . 0 0 "[ . 1]" 1
198 1 25 TYR QE 1 30 LEU QD 5.920 . 5.920 5.595 5.407 5.931 0.011 9 0 "[ . 1]" 1
199 1 25 TYR QE 1 33 ILE HB 6.000 . 6.000 5.061 4.763 5.377 . 0 0 "[ . 1]" 1
200 1 25 TYR QE 1 33 ILE MD 6.000 . 6.000 4.632 4.312 5.058 . 0 0 "[ . 1]" 1
201 1 26 SER H 1 27 PRO HD3 6.000 . 6.000 5.277 4.957 5.591 . 0 0 "[ . 1]" 1
202 1 26 SER H 1 29 GLU H 6.000 . 6.000 3.893 3.823 3.976 . 0 0 "[ . 1]" 1
203 1 26 SER H 1 30 LEU H 6.000 . 6.000 4.246 4.180 4.336 . 0 0 "[ . 1]" 1
204 1 26 SER H 1 30 LEU HA 6.000 . 6.000 6.157 5.923 6.318 0.318 9 0 "[ . 1]" 1
205 1 26 SER HA 1 27 PRO HB2 6.000 . 6.000 5.491 5.236 5.750 . 0 0 "[ . 1]" 1
206 1 26 SER QB 1 27 PRO HA 5.430 . 5.430 4.638 4.583 4.755 . 0 0 "[ . 1]" 1
207 1 27 PRO HA 1 30 LEU H 6.000 . 6.000 3.482 3.326 3.738 . 0 0 "[ . 1]" 1
208 1 27 PRO HA 1 30 LEU QB 5.810 . 5.810 2.583 2.408 2.955 . 0 0 "[ . 1]" 1
209 1 27 PRO HA 1 30 LEU QD 5.920 . 5.920 2.533 2.183 2.860 . 0 0 "[ . 1]" 1
210 1 27 PRO HA 1 31 ALA H 6.000 . 6.000 4.632 4.079 5.209 . 0 0 "[ . 1]" 1
211 1 27 PRO QG 1 30 LEU QB 5.620 . 5.620 5.070 4.603 5.381 . 0 0 "[ . 1]" 1
212 1 28 SER H 1 29 GLU H 6.000 . 6.000 2.723 2.623 2.886 . 0 0 "[ . 1]" 1
213 1 28 SER H 1 30 LEU H 6.000 . 6.000 4.352 4.295 4.482 . 0 0 "[ . 1]" 1
214 1 28 SER H 1 31 ALA H 6.000 . 6.000 5.073 4.851 5.440 . 0 0 "[ . 1]" 1
215 1 28 SER H 1 31 ALA MB 6.000 . 6.000 4.804 4.573 5.217 . 0 0 "[ . 1]" 1
216 1 28 SER HA 1 30 LEU H 6.000 . 6.000 4.645 4.574 4.744 . 0 0 "[ . 1]" 1
217 1 28 SER HA 1 31 ALA H 6.000 . 6.000 3.716 3.464 4.198 . 0 0 "[ . 1]" 1
218 1 29 GLU H 1 30 LEU H 6.000 . 6.000 2.552 2.512 2.575 . 0 0 "[ . 1]" 1
219 1 29 GLU HA 1 30 LEU QB 5.810 . 5.810 5.329 5.251 5.422 . 0 0 "[ . 1]" 1
220 1 29 GLU HA 1 33 ILE MG 6.000 . 6.000 4.825 4.656 5.095 . 0 0 "[ . 1]" 1
221 1 29 GLU QB 1 30 LEU HA 5.810 . 5.810 4.002 3.897 4.145 . 0 0 "[ . 1]" 1
222 1 29 GLU QB 1 30 LEU QB 5.610 . 5.610 4.328 4.266 4.398 . 0 0 "[ . 1]" 1
223 1 29 GLU QB 1 31 ALA MB 5.810 . 5.810 5.503 5.325 5.873 0.063 8 0 "[ . 1]" 1
224 1 30 LEU H 1 31 ALA MB 6.000 . 6.000 4.432 4.299 4.586 . 0 0 "[ . 1]" 1
225 1 30 LEU H 1 32 ARG QG 5.810 . 5.810 5.748 4.776 5.956 0.146 10 0 "[ . 1]" 1
226 1 30 LEU H 1 33 ILE MG 6.000 . 6.000 4.395 4.200 4.597 . 0 0 "[ . 1]" 1
227 1 30 LEU HA 1 33 ILE HB 6.000 . 6.000 4.769 4.404 5.207 . 0 0 "[ . 1]" 1
228 1 30 LEU QB 1 31 ALA HA 5.810 . 5.810 4.107 3.702 4.440 . 0 0 "[ . 1]" 1
229 1 30 LEU QB 1 31 ALA MB 5.810 . 5.810 3.949 3.607 4.123 . 0 0 "[ . 1]" 1
230 1 30 LEU HB2 1 31 ALA H 6.000 . 6.000 3.196 2.402 3.635 . 0 0 "[ . 1]" 1
231 1 30 LEU HB2 1 33 ILE MG 6.000 . 6.000 4.755 4.472 5.056 . 0 0 "[ . 1]" 1
232 1 30 LEU HB3 1 31 ALA H 6.000 . 6.000 3.524 2.468 3.969 . 0 0 "[ . 1]" 1
233 1 30 LEU HB3 1 33 ILE MG 6.000 . 6.000 4.158 3.811 4.615 . 0 0 "[ . 1]" 1
234 1 30 LEU QD 1 31 ALA HA 5.920 . 5.920 5.111 4.685 5.325 . 0 0 "[ . 1]" 1
235 1 30 LEU QD 1 31 ALA MB 5.920 . 5.920 4.857 4.535 5.030 . 0 0 "[ . 1]" 1
236 1 30 LEU QD 1 33 ILE H 5.920 . 5.920 5.444 5.203 5.671 . 0 0 "[ . 1]" 1
237 1 30 LEU QD 1 33 ILE HB 5.920 . 5.920 5.911 5.762 6.181 0.261 9 0 "[ . 1]" 1
238 1 30 LEU QD 1 33 ILE MD 5.920 . 5.920 5.713 5.579 6.036 0.116 9 0 "[ . 1]" 1
239 1 30 LEU QD 1 33 ILE MG 5.920 . 5.920 3.470 3.336 3.659 . 0 0 "[ . 1]" 1
240 1 30 LEU QD 1 34 LEU QD 5.840 . 5.840 3.917 3.549 4.439 . 0 0 "[ . 1]" 1
241 1 30 LEU MD1 1 31 ALA H 6.000 . 6.000 4.622 4.077 5.009 . 0 0 "[ . 1]" 1
242 1 30 LEU MD2 1 31 ALA H 6.000 . 6.000 4.907 4.173 5.234 . 0 0 "[ . 1]" 1
243 1 31 ALA H 1 32 ARG H 6.000 . 6.000 2.450 2.186 2.953 . 0 0 "[ . 1]" 1
244 1 31 ALA H 1 34 LEU QD 5.920 . 5.920 4.669 3.688 5.817 . 0 0 "[ . 1]" 1
245 1 31 ALA HA 1 32 ARG QG 5.810 . 5.810 5.741 5.640 5.830 0.020 9 0 "[ . 1]" 1
246 1 31 ALA HA 1 34 LEU H 6.000 . 6.000 5.799 5.626 6.080 0.080 8 0 "[ . 1]" 1
247 1 31 ALA HA 1 34 LEU QB 5.810 . 5.810 3.128 2.935 3.588 . 0 0 "[ . 1]" 1
248 1 31 ALA HA 1 34 LEU MD1 6.000 . 6.000 3.011 1.699 4.690 0.101 6 0 "[ . 1]" 1
249 1 31 ALA HA 1 34 LEU MD2 6.000 . 6.000 3.989 3.378 4.484 . 0 0 "[ . 1]" 1
250 1 31 ALA HA 1 36 MET QB 5.810 . 5.810 5.341 4.418 6.019 0.209 4 0 "[ . 1]" 1
251 1 31 ALA HA 1 36 MET ME 6.000 . 6.000 5.104 2.685 6.372 0.372 5 0 "[ . 1]" 1
252 1 31 ALA MB 1 32 ARG H 6.000 . 6.000 2.847 2.720 2.974 . 0 0 "[ . 1]" 1
253 1 31 ALA MB 1 32 ARG QD 5.810 . 5.810 5.640 5.289 6.031 0.221 1 0 "[ . 1]" 1
254 1 31 ALA MB 1 32 ARG QG 5.660 . 5.660 4.095 3.844 4.746 . 0 0 "[ . 1]" 1
255 1 31 ALA MB 1 34 LEU QD 5.920 . 5.920 3.835 3.067 4.831 . 0 0 "[ . 1]" 1
256 1 31 ALA MB 1 36 MET H 6.000 . 6.000 5.805 4.862 6.283 0.283 3 0 "[ . 1]" 1
257 1 32 ARG H 1 33 ILE H 6.000 . 6.000 2.776 2.638 2.964 . 0 0 "[ . 1]" 1
258 1 32 ARG H 1 33 ILE HB 6.000 . 6.000 5.386 5.283 5.577 . 0 0 "[ . 1]" 1
259 1 32 ARG HA 1 33 ILE HB 6.000 . 6.000 5.814 5.791 5.863 . 0 0 "[ . 1]" 1
260 1 32 ARG HB3 1 33 ILE H 6.000 . 6.000 3.167 2.995 3.977 . 0 0 "[ . 1]" 1
261 1 32 ARG HB3 1 33 ILE HB 6.000 . 6.000 4.558 4.337 5.985 . 0 0 "[ . 1]" 1
262 1 32 ARG QD 1 33 ILE MG 5.810 . 5.810 5.589 4.918 5.898 0.088 8 0 "[ . 1]" 1
263 1 33 ILE H 1 34 LEU H 6.000 . 6.000 4.020 3.945 4.126 . 0 0 "[ . 1]" 1
264 1 33 ILE H 1 34 LEU QD 5.920 . 5.920 4.554 4.059 5.147 . 0 0 "[ . 1]" 1
265 1 33 ILE HB 1 34 LEU H 6.000 . 6.000 4.584 4.490 4.721 . 0 0 "[ . 1]" 1
266 1 33 ILE QG 1 34 LEU H 5.810 . 5.810 3.537 3.282 3.979 . 0 0 "[ . 1]" 1
267 1 33 ILE MG 1 34 LEU QD 5.920 . 5.920 3.252 2.955 3.794 . 0 0 "[ . 1]" 1
268 1 33 ILE MG 1 34 LEU HG 6.000 . 6.000 5.018 4.387 5.992 . 0 0 "[ . 1]" 1
269 1 34 LEU HA 1 36 MET ME 6.000 . 6.000 5.538 3.655 6.199 0.199 1 0 "[ . 1]" 1
270 1 34 LEU QB 1 35 ASP HA 5.810 . 5.810 4.239 4.040 4.778 . 0 0 "[ . 1]" 1
271 1 34 LEU QB 1 35 ASP QB 5.610 . 5.610 4.406 3.923 4.951 . 0 0 "[ . 1]" 1
272 1 34 LEU QB 1 36 MET QB 5.610 . 5.610 3.764 2.240 5.811 0.201 7 0 "[ . 1]" 1
273 1 34 LEU QB 1 36 MET ME 5.810 . 5.810 4.048 2.963 4.855 . 0 0 "[ . 1]" 1
274 1 34 LEU QB 1 36 MET QG 5.610 . 5.610 3.912 1.805 5.125 . 0 0 "[ . 1]" 1
275 1 34 LEU QD 1 35 ASP H 5.920 . 5.920 2.613 1.965 4.494 . 0 0 "[ . 1]" 1
276 1 34 LEU QD 1 35 ASP QB 5.730 . 5.730 3.706 2.868 4.865 . 0 0 "[ . 1]" 1
277 1 34 LEU QD 1 36 MET ME 5.920 . 5.920 3.061 1.901 5.570 . 0 0 "[ . 1]" 1
278 1 34 LEU QD 1 36 MET QG 5.730 . 5.730 3.423 1.703 5.012 0.097 10 0 "[ . 1]" 1
279 1 35 ASP H 1 36 MET H 6.000 . 6.000 3.304 2.268 4.482 . 0 0 "[ . 1]" 1
280 1 35 ASP H 1 36 MET ME 6.000 . 6.000 5.119 4.245 6.018 0.018 8 0 "[ . 1]" 1
281 1 35 ASP QB 1 36 MET HA 5.810 . 5.810 4.360 4.126 4.615 . 0 0 "[ . 1]" 1
282 1 35 ASP QB 1 36 MET QB 5.610 . 5.610 4.795 4.382 5.379 . 0 0 "[ . 1]" 1
283 1 35 ASP QB 1 36 MET ME 5.810 . 5.810 5.178 3.836 6.096 0.286 3 0 "[ . 1]" 1
284 1 36 MET HA 1 36 MET ME 6.000 . 6.000 4.300 3.317 4.865 . 0 0 "[ . 1]" 1
285 1 42 LYS QB 1 46 LEU H 5.810 . 5.810 5.363 4.944 5.685 . 0 0 "[ . 1]" 1
286 1 42 LYS QB 1 46 LEU QB 5.610 . 5.610 4.865 4.129 5.512 . 0 0 "[ . 1]" 1
287 1 42 LYS QB 1 46 LEU HG 5.810 . 5.810 5.104 4.360 6.090 0.280 2 0 "[ . 1]" 1
288 1 43 LYS HA 1 46 LEU H 6.000 . 6.000 3.446 3.329 3.698 . 0 0 "[ . 1]" 1
289 1 43 LYS HA 1 46 LEU HB2 6.000 . 6.000 2.531 2.407 2.728 . 0 0 "[ . 1]" 1
290 1 43 LYS HA 1 46 LEU QB 5.240 . 5.240 2.472 2.308 2.610 . 0 0 "[ . 1]" 1
291 1 43 LYS HA 1 46 LEU HB3 6.000 . 6.000 3.713 2.895 4.118 . 0 0 "[ . 1]" 1
292 1 43 LYS HA 1 46 LEU QD 5.920 . 5.920 2.623 1.806 3.778 . 0 0 "[ . 1]" 1
293 1 43 LYS HA 1 46 LEU HG 5.780 . 5.780 4.131 3.355 5.229 . 0 0 "[ . 1]" 1
294 1 44 VAL HA 1 47 GLU H 6.000 . 6.000 3.745 3.610 3.916 . 0 0 "[ . 1]" 1
295 1 44 VAL HA 1 48 ASP H 6.000 . 6.000 4.506 4.343 4.590 . 0 0 "[ . 1]" 1
296 1 44 VAL HB 1 45 ILE H 6.000 . 6.000 2.702 2.521 2.940 . 0 0 "[ . 1]" 1
297 1 44 VAL QG 1 45 ILE H 5.920 . 5.920 3.250 2.898 3.436 . 0 0 "[ . 1]" 1
298 1 44 VAL QG 1 45 ILE QG 5.730 . 5.730 4.888 3.662 5.380 . 0 0 "[ . 1]" 1
299 1 44 VAL QG 1 47 GLU HB2 5.200 . 5.200 4.152 3.961 4.319 . 0 0 "[ . 1]" 1
300 1 44 VAL QG 1 48 ASP HA 5.920 . 5.920 5.646 5.418 5.969 0.049 5 0 "[ . 1]" 1
301 1 45 ILE H 1 46 LEU H 6.000 . 6.000 2.544 2.476 2.736 . 0 0 "[ . 1]" 1
302 1 45 ILE H 1 46 LEU HA 6.000 . 6.000 5.151 5.059 5.415 . 0 0 "[ . 1]" 1
303 1 45 ILE HA 1 48 ASP H 6.000 . 6.000 3.296 3.151 3.454 . 0 0 "[ . 1]" 1
304 1 45 ILE HA 1 48 ASP QB 5.810 . 5.810 2.196 2.062 2.273 . 0 0 "[ . 1]" 1
305 1 45 ILE HA 1 49 LEU H 6.000 . 6.000 4.356 4.282 4.440 . 0 0 "[ . 1]" 1
306 1 45 ILE HB 1 46 LEU H 6.000 . 6.000 3.748 2.768 3.994 . 0 0 "[ . 1]" 1
307 1 45 ILE HB 1 46 LEU HA 6.000 . 6.000 5.400 4.171 5.967 . 0 0 "[ . 1]" 1
308 1 45 ILE HB 1 49 LEU QD 5.920 . 5.920 5.101 4.573 5.577 . 0 0 "[ . 1]" 1
309 1 45 ILE MD 1 48 ASP H 6.000 . 6.000 5.517 4.807 5.878 . 0 0 "[ . 1]" 1
310 1 45 ILE MD 1 48 ASP QB 5.810 . 5.810 3.813 3.380 4.043 . 0 0 "[ . 1]" 1
311 1 45 ILE QG 1 48 ASP H 5.810 . 5.810 4.862 4.532 5.667 . 0 0 "[ . 1]" 1
312 1 45 ILE QG 1 48 ASP QB 5.610 . 5.610 3.308 2.867 4.692 . 0 0 "[ . 1]" 1
313 1 45 ILE MG 1 46 LEU H 6.000 . 6.000 2.762 2.345 3.877 . 0 0 "[ . 1]" 1
314 1 45 ILE MG 1 49 LEU QD 5.920 . 5.920 2.988 2.630 3.756 . 0 0 "[ . 1]" 1
315 1 46 LEU H 1 47 GLU H 6.000 . 6.000 2.528 2.382 2.803 . 0 0 "[ . 1]" 1
316 1 46 LEU HA 1 48 ASP H 6.000 . 6.000 4.242 4.158 4.448 . 0 0 "[ . 1]" 1
317 1 46 LEU HA 1 49 LEU QD 5.920 . 5.920 2.666 1.682 3.921 0.118 1 0 "[ . 1]" 1
318 1 46 LEU HA 1 49 LEU HG 6.000 . 6.000 3.908 3.671 4.088 . 0 0 "[ . 1]" 1
319 1 46 LEU HA 1 81 ILE MG 6.000 . 6.000 4.748 4.080 5.244 . 0 0 "[ . 1]" 1
320 1 46 LEU QB 1 47 GLU HA 5.810 . 5.810 4.025 3.918 4.166 . 0 0 "[ . 1]" 1
321 1 46 LEU QB 1 48 ASP H 5.810 . 5.810 4.600 4.529 4.729 . 0 0 "[ . 1]" 1
322 1 46 LEU QB 1 49 LEU QB 5.180 . 5.180 4.308 4.079 4.635 . 0 0 "[ . 1]" 1
323 1 46 LEU QB 1 49 LEU QD 5.280 . 5.280 4.259 3.597 5.293 0.013 2 0 "[ . 1]" 1
324 1 46 LEU QB 1 49 LEU HG 5.810 . 5.810 5.780 5.359 6.036 0.226 4 0 "[ . 1]" 1
325 1 46 LEU QB 1 81 ILE MG 5.810 . 5.810 4.737 3.967 5.273 . 0 0 "[ . 1]" 1
326 1 46 LEU QB 1 82 ASN QB 5.610 . 5.610 4.951 4.387 5.521 . 0 0 "[ . 1]" 1
327 1 46 LEU QB 1 100 PHE HZ 5.810 . 5.810 5.861 5.576 5.988 0.178 7 0 "[ . 1]" 1
328 1 46 LEU HB2 1 47 GLU H 6.000 . 6.000 3.024 2.756 3.503 . 0 0 "[ . 1]" 1
329 1 46 LEU HB2 1 81 ILE HB 6.000 . 6.000 5.868 5.245 6.084 0.084 5 0 "[ . 1]" 1
330 1 46 LEU HB3 1 47 GLU H 6.000 . 6.000 3.305 2.698 3.645 . 0 0 "[ . 1]" 1
331 1 46 LEU HB3 1 81 ILE HB 6.000 . 6.000 4.390 3.530 5.367 . 0 0 "[ . 1]" 1
332 1 46 LEU QD 1 47 GLU HA 5.920 . 5.920 4.843 3.825 5.328 . 0 0 "[ . 1]" 1
333 1 46 LEU QD 1 49 LEU QB 5.730 . 5.730 3.574 2.910 4.032 . 0 0 "[ . 1]" 1
334 1 46 LEU QD 1 49 LEU QD 5.840 . 5.840 3.121 1.949 4.703 . 0 0 "[ . 1]" 1
335 1 46 LEU QD 1 81 ILE HB 5.920 . 5.920 2.831 1.829 3.433 . 0 0 "[ . 1]" 1
336 1 46 LEU QD 1 82 ASN HA 5.920 . 5.920 2.468 1.850 3.485 . 0 0 "[ . 1]" 1
337 1 46 LEU QD 1 82 ASN QB 5.730 . 5.730 3.791 3.127 4.568 . 0 0 "[ . 1]" 1
338 1 46 LEU QD 1 83 ILE H 5.920 . 5.920 3.457 2.703 4.653 . 0 0 "[ . 1]" 1
339 1 46 LEU QD 1 97 GLU QB 5.720 . 5.720 5.627 5.350 6.025 0.305 7 0 "[ . 1]" 1
340 1 46 LEU QD 1 98 PRO QD 5.730 . 5.730 4.476 3.867 4.868 . 0 0 "[ . 1]" 1
341 1 46 LEU QD 1 100 PHE QE 5.920 . 5.920 3.239 2.530 3.972 . 0 0 "[ . 1]" 1
342 1 46 LEU QD 1 100 PHE HZ 5.920 . 5.920 3.310 2.441 3.821 . 0 0 "[ . 1]" 1
343 1 46 LEU HG 1 49 LEU QD 5.920 . 5.920 4.247 2.787 5.379 . 0 0 "[ . 1]" 1
344 1 46 LEU HG 1 81 ILE HB 6.000 . 6.000 5.279 3.647 6.392 0.392 5 0 "[ . 1]" 1
345 1 47 GLU H 1 48 ASP H 6.000 . 6.000 2.477 2.406 2.600 . 0 0 "[ . 1]" 1
346 1 47 GLU H 1 49 LEU QB 5.810 . 5.810 4.823 4.718 4.905 . 0 0 "[ . 1]" 1
347 1 47 GLU HA 1 49 LEU H 6.000 . 6.000 4.150 4.069 4.265 . 0 0 "[ . 1]" 1
348 1 47 GLU HA 1 50 LYS QG 5.810 . 5.810 2.861 2.747 2.900 . 0 0 "[ . 1]" 1
349 1 47 GLU HA 1 81 ILE MG 6.000 . 6.000 6.052 5.926 6.168 0.168 4 0 "[ . 1]" 1
350 1 47 GLU HB2 1 48 ASP HA 6.000 . 6.000 5.043 4.978 5.139 . 0 0 "[ . 1]" 1
351 1 47 GLU HB2 1 50 LYS QE 5.340 . 5.340 5.454 5.364 5.601 0.261 4 0 "[ . 1]" 1
352 1 47 GLU HB2 1 50 LYS QG 5.570 . 5.570 5.599 5.499 5.642 0.072 1 0 "[ . 1]" 1
353 1 47 GLU QG 1 50 LYS QG 5.620 . 5.620 3.944 3.809 4.034 . 0 0 "[ . 1]" 1
354 1 47 GLU HG2 1 81 ILE MD 6.000 . 6.000 6.186 5.986 6.280 0.280 4 0 "[ . 1]" 1
355 1 47 GLU HG3 1 81 ILE MD 6.000 . 6.000 6.165 5.991 6.279 0.279 4 0 "[ . 1]" 1
356 1 48 ASP H 1 49 LEU QB 5.810 . 5.810 4.411 4.283 4.537 . 0 0 "[ . 1]" 1
357 1 48 ASP H 1 49 LEU HG 6.000 . 6.000 5.651 5.131 6.399 0.399 7 0 "[ . 1]" 1
358 1 48 ASP HA 1 51 VAL H 6.000 . 6.000 3.505 3.423 3.713 . 0 0 "[ . 1]" 1
359 1 48 ASP HA 1 51 VAL HA 6.000 . 6.000 5.718 5.601 5.886 . 0 0 "[ . 1]" 1
360 1 48 ASP HA 1 51 VAL HB 6.000 . 6.000 3.919 3.529 4.493 . 0 0 "[ . 1]" 1
361 1 48 ASP HA 1 51 VAL QG 5.920 . 5.920 2.189 1.942 2.497 . 0 0 "[ . 1]" 1
362 1 48 ASP HA 1 52 ILE H 6.000 . 6.000 4.382 4.220 4.524 . 0 0 "[ . 1]" 1
363 1 48 ASP HB2 1 49 LEU H 6.000 . 6.000 3.005 2.901 3.331 . 0 0 "[ . 1]" 1
364 1 48 ASP HB3 1 49 LEU H 6.000 . 6.000 3.382 3.095 3.467 . 0 0 "[ . 1]" 1
365 1 49 LEU H 1 50 LYS H 6.000 . 6.000 2.701 2.659 2.790 . 0 0 "[ . 1]" 1
366 1 49 LEU H 1 51 VAL H 6.000 . 6.000 4.339 4.280 4.416 . 0 0 "[ . 1]" 1
367 1 49 LEU HA 1 52 ILE H 6.000 . 6.000 3.382 3.319 3.479 . 0 0 "[ . 1]" 1
368 1 49 LEU HA 1 52 ILE HB 6.000 . 6.000 2.690 2.351 2.957 . 0 0 "[ . 1]" 1
369 1 49 LEU HA 1 52 ILE MG 6.000 . 6.000 3.952 3.265 4.429 . 0 0 "[ . 1]" 1
370 1 49 LEU QB 1 65 ILE MD 5.810 . 5.810 5.864 5.768 6.009 0.199 9 0 "[ . 1]" 1
371 1 49 LEU QD 1 52 ILE HB 5.920 . 5.920 3.532 3.031 4.062 . 0 0 "[ . 1]" 1
372 1 49 LEU QD 1 52 ILE MG 5.920 . 5.920 3.601 2.683 4.313 . 0 0 "[ . 1]" 1
373 1 49 LEU QD 1 53 SER HA 5.920 . 5.920 4.908 4.335 5.372 . 0 0 "[ . 1]" 1
374 1 49 LEU QD 1 63 LEU QB 5.730 . 5.730 4.211 3.524 4.647 . 0 0 "[ . 1]" 1
375 1 49 LEU QD 1 65 ILE QG 5.730 . 5.730 4.047 3.882 4.316 . 0 0 "[ . 1]" 1
376 1 49 LEU QD 1 100 PHE QB 5.730 . 5.730 2.762 2.518 3.066 . 0 0 "[ . 1]" 1
377 1 49 LEU QD 1 100 PHE HZ 5.920 . 5.920 3.449 2.913 4.349 . 0 0 "[ . 1]" 1
378 1 49 LEU MD1 1 50 LYS H 6.000 . 6.000 4.544 4.423 4.649 . 0 0 "[ . 1]" 1
379 1 49 LEU MD1 1 81 ILE MD 6.000 . 6.000 5.882 5.524 6.238 0.238 2 0 "[ . 1]" 1
380 1 49 LEU MD1 1 81 ILE MG 6.000 . 6.000 3.557 3.262 3.821 . 0 0 "[ . 1]" 1
381 1 49 LEU MD1 1 100 PHE QD 6.000 . 6.000 2.892 2.290 3.433 . 0 0 "[ . 1]" 1
382 1 49 LEU MD1 1 100 PHE QE 6.000 . 6.000 2.895 2.588 3.176 . 0 0 "[ . 1]" 1
383 1 49 LEU MD2 1 50 LYS H 6.000 . 6.000 4.701 4.332 4.980 . 0 0 "[ . 1]" 1
384 1 49 LEU MD2 1 81 ILE MG 6.000 . 6.000 4.486 3.965 5.241 . 0 0 "[ . 1]" 1
385 1 49 LEU MD2 1 100 PHE QD 6.000 . 6.000 3.164 2.567 3.957 . 0 0 "[ . 1]" 1
386 1 49 LEU MD2 1 100 PHE QE 6.000 . 6.000 3.553 2.702 4.554 . 0 0 "[ . 1]" 1
387 1 49 LEU HG 1 100 PHE QD 6.000 . 6.000 4.587 3.562 5.235 . 0 0 "[ . 1]" 1
388 1 49 LEU HG 1 100 PHE QE 6.000 . 6.000 4.566 3.312 5.370 . 0 0 "[ . 1]" 1
389 1 49 LEU HG 1 100 PHE HZ 6.000 . 6.000 5.206 3.745 6.116 0.116 8 0 "[ . 1]" 1
390 1 50 LYS H 1 50 LYS QE 6.000 . 6.000 4.553 4.466 4.718 . 0 0 "[ . 1]" 1
391 1 50 LYS H 1 51 VAL H 6.000 . 6.000 2.707 2.678 2.772 . 0 0 "[ . 1]" 1
392 1 50 LYS H 1 51 VAL QG 5.920 . 5.920 3.603 3.246 3.854 . 0 0 "[ . 1]" 1
393 1 50 LYS H 1 52 ILE H 6.000 . 6.000 4.174 4.042 4.271 . 0 0 "[ . 1]" 1
394 1 50 LYS H 1 81 ILE MG 6.000 . 6.000 5.114 4.962 5.366 . 0 0 "[ . 1]" 1
395 1 50 LYS QE 1 81 ILE MD 6.000 . 6.000 2.503 2.203 2.743 . 0 0 "[ . 1]" 1
396 1 50 LYS QE 1 81 ILE MG 6.000 . 6.000 4.235 4.030 4.404 . 0 0 "[ . 1]" 1
397 1 50 LYS QG 1 81 ILE MD 5.810 . 5.810 3.518 3.256 3.703 . 0 0 "[ . 1]" 1
398 1 50 LYS QG 1 81 ILE MG 5.810 . 5.810 3.840 3.621 4.081 . 0 0 "[ . 1]" 1
399 1 51 VAL H 1 52 ILE H 6.000 . 6.000 2.563 2.487 2.667 . 0 0 "[ . 1]" 1
400 1 51 VAL H 1 53 SER H 6.000 . 6.000 4.034 3.941 4.243 . 0 0 "[ . 1]" 1
401 1 51 VAL HA 1 54 LYS H 6.000 . 6.000 3.881 3.766 4.098 . 0 0 "[ . 1]" 1
402 1 51 VAL HB 1 52 ILE H 6.000 . 6.000 2.801 2.590 3.139 . 0 0 "[ . 1]" 1
403 1 51 VAL QG 1 52 ILE H 5.920 . 5.920 3.063 2.664 3.428 . 0 0 "[ . 1]" 1
404 1 52 ILE H 1 53 SER H 6.000 . 6.000 2.609 2.547 2.818 . 0 0 "[ . 1]" 1
405 1 52 ILE HA 1 55 ILE H 6.000 . 6.000 3.437 3.336 3.602 . 0 0 "[ . 1]" 1
406 1 52 ILE HA 1 55 ILE HB 6.000 . 6.000 3.549 3.234 4.755 . 0 0 "[ . 1]" 1
407 1 52 ILE HA 1 55 ILE QG 5.810 . 5.810 3.478 2.182 4.080 . 0 0 "[ . 1]" 1
408 1 52 ILE HA 1 55 ILE MG 6.000 . 6.000 4.703 4.467 4.856 . 0 0 "[ . 1]" 1
409 1 52 ILE HB 1 53 SER H 6.000 . 6.000 3.013 2.899 3.159 . 0 0 "[ . 1]" 1
410 1 52 ILE HB 1 53 SER HA 6.000 . 6.000 4.565 4.236 5.057 . 0 0 "[ . 1]" 1
411 1 52 ILE MG 1 53 SER H 6.000 . 6.000 3.527 3.098 3.837 . 0 0 "[ . 1]" 1
412 1 52 ILE MG 1 53 SER HA 6.000 . 6.000 3.572 3.090 3.828 . 0 0 "[ . 1]" 1
413 1 52 ILE MG 1 55 ILE H 6.000 . 6.000 4.434 4.231 4.960 . 0 0 "[ . 1]" 1
414 1 52 ILE MG 1 55 ILE QG 5.810 . 5.810 4.790 4.027 5.413 . 0 0 "[ . 1]" 1
415 1 52 ILE MG 1 56 ALA H 6.000 . 6.000 3.542 3.309 4.006 . 0 0 "[ . 1]" 1
416 1 52 ILE MG 1 56 ALA HA 6.000 . 6.000 4.435 4.280 4.673 . 0 0 "[ . 1]" 1
417 1 52 ILE MG 1 56 ALA MB 6.000 . 6.000 2.616 2.401 2.905 . 0 0 "[ . 1]" 1
418 1 52 ILE MG 1 63 LEU HG 6.000 . 6.000 5.068 3.818 5.710 . 0 0 "[ . 1]" 1
419 1 52 ILE MG 1 102 LEU QB 5.810 . 5.810 5.476 5.287 5.826 0.016 5 0 "[ . 1]" 1
420 1 52 ILE MG 1 102 LEU QD 4.740 . 4.740 2.906 2.702 3.260 . 0 0 "[ . 1]" 1
421 1 52 ILE MG 1 102 LEU HG 6.000 . 6.000 4.772 4.404 5.423 . 0 0 "[ . 1]" 1
422 1 53 SER H 1 54 LYS H 6.000 . 6.000 2.715 2.618 2.942 . 0 0 "[ . 1]" 1
423 1 53 SER H 1 54 LYS HA 6.000 . 6.000 5.318 5.217 5.571 . 0 0 "[ . 1]" 1
424 1 53 SER H 1 54 LYS QB 5.810 . 5.810 4.468 4.370 4.697 . 0 0 "[ . 1]" 1
425 1 53 SER H 1 55 ILE H 6.000 . 6.000 4.250 4.167 4.470 . 0 0 "[ . 1]" 1
426 1 53 SER H 1 56 ALA MB 6.000 . 6.000 4.437 4.297 4.576 . 0 0 "[ . 1]" 1
427 1 53 SER H 1 102 LEU QD 6.020 . 6.020 6.072 5.852 6.360 0.340 7 0 "[ . 1]" 1
428 1 53 SER HA 1 56 ALA H 6.000 . 6.000 3.547 3.427 3.886 . 0 0 "[ . 1]" 1
429 1 53 SER HA 1 56 ALA MB 6.000 . 6.000 2.557 2.363 2.818 . 0 0 "[ . 1]" 1
430 1 53 SER HA 1 63 LEU H 6.000 . 6.000 5.844 5.268 6.042 0.042 4 0 "[ . 1]" 1
431 1 53 SER HA 1 63 LEU QB 5.810 . 5.810 4.256 3.829 4.401 . 0 0 "[ . 1]" 1
432 1 53 SER HA 1 63 LEU QD 5.920 . 5.920 3.071 2.851 3.562 . 0 0 "[ . 1]" 1
433 1 53 SER QB 1 102 LEU QD 6.000 2.070 6.000 6.051 5.604 6.193 0.193 1 0 "[ . 1]" 1
434 1 54 LYS H 1 54 LYS QE 6.000 . 6.000 5.002 4.839 5.321 . 0 0 "[ . 1]" 1
435 1 54 LYS H 1 55 ILE H 6.000 . 6.000 2.576 2.518 2.701 . 0 0 "[ . 1]" 1
436 1 54 LYS H 1 55 ILE MG 6.000 . 6.000 5.835 5.008 6.173 0.173 9 0 "[ . 1]" 1
437 1 54 LYS H 1 56 ALA H 6.000 . 6.000 4.100 4.070 4.169 . 0 0 "[ . 1]" 1
438 1 54 LYS H 1 56 ALA MB 6.000 . 6.000 4.681 4.570 4.785 . 0 0 "[ . 1]" 1
439 1 54 LYS HA 1 57 LYS QB 5.810 . 5.810 3.437 3.330 3.740 . 0 0 "[ . 1]" 1
440 1 54 LYS QG 1 57 LYS QB 5.060 . 5.060 4.898 4.765 5.170 0.110 1 0 "[ . 1]" 1
441 1 54 LYS QG 1 57 LYS QE 6.000 . 6.000 5.352 5.266 5.445 . 0 0 "[ . 1]" 1
442 1 55 ILE H 1 56 ALA H 6.000 . 6.000 2.450 2.411 2.546 . 0 0 "[ . 1]" 1
443 1 55 ILE HA 1 57 LYS H 6.000 . 6.000 3.805 3.691 4.185 . 0 0 "[ . 1]" 1
444 1 55 ILE HA 1 58 ARG H 6.000 . 6.000 3.491 3.369 3.796 . 0 0 "[ . 1]" 1
445 1 55 ILE HA 1 58 ARG HA 6.000 . 6.000 5.478 5.391 5.605 . 0 0 "[ . 1]" 1
446 1 55 ILE HA 1 58 ARG QD 5.810 . 5.810 3.475 3.004 3.856 . 0 0 "[ . 1]" 1
447 1 55 ILE QG 1 58 ARG QD 5.610 . 5.610 4.787 4.437 5.692 0.082 1 0 "[ . 1]" 1
448 1 55 ILE MG 1 56 ALA H 6.000 . 6.000 3.975 3.772 4.320 . 0 0 "[ . 1]" 1
449 1 55 ILE MG 1 56 ALA HA 6.000 . 6.000 4.303 3.895 5.567 . 0 0 "[ . 1]" 1
450 1 55 ILE MG 1 57 LYS H 6.000 . 6.000 4.873 4.672 5.459 . 0 0 "[ . 1]" 1
451 1 55 ILE MG 1 59 GLU QG 5.810 . 5.810 3.396 2.790 5.597 . 0 0 "[ . 1]" 1
452 1 56 ALA H 1 57 LYS H 6.000 . 6.000 2.766 2.708 2.928 . 0 0 "[ . 1]" 1
453 1 56 ALA HA 1 59 GLU H 6.000 . 6.000 3.564 3.523 3.603 . 0 0 "[ . 1]" 1
454 1 56 ALA HA 1 59 GLU HA 6.000 . 6.000 5.363 5.276 5.678 . 0 0 "[ . 1]" 1
455 1 56 ALA HA 1 59 GLU QB 5.810 . 5.810 2.671 2.459 3.833 . 0 0 "[ . 1]" 1
456 1 56 ALA HA 1 59 GLU QG 5.810 . 5.810 4.123 1.850 4.682 . 0 0 "[ . 1]" 1
457 1 56 ALA HA 1 61 MET HB2 6.000 . 6.000 3.416 3.280 3.693 . 0 0 "[ . 1]" 1
458 1 56 ALA HA 1 61 MET HB3 6.000 . 6.000 4.480 4.254 4.612 . 0 0 "[ . 1]" 1
459 1 56 ALA HA 1 61 MET ME 6.000 . 6.000 4.437 4.054 5.183 . 0 0 "[ . 1]" 1
460 1 56 ALA HA 1 61 MET QG 5.810 . 5.810 5.070 4.846 5.516 . 0 0 "[ . 1]" 1
461 1 56 ALA HA 1 102 LEU QD 5.920 . 5.920 4.079 3.828 4.410 . 0 0 "[ . 1]" 1
462 1 56 ALA MB 1 57 LYS H 6.000 . 6.000 3.071 3.022 3.120 . 0 0 "[ . 1]" 1
463 1 56 ALA MB 1 59 GLU H 6.000 . 6.000 4.588 4.555 4.695 . 0 0 "[ . 1]" 1
464 1 56 ALA MB 1 59 GLU QG 5.810 . 5.810 5.240 3.333 5.713 . 0 0 "[ . 1]" 1
465 1 56 ALA MB 1 61 MET HA 6.000 . 6.000 5.216 5.020 5.338 . 0 0 "[ . 1]" 1
466 1 56 ALA MB 1 61 MET HB2 6.000 . 6.000 3.375 3.126 3.758 . 0 0 "[ . 1]" 1
467 1 56 ALA MB 1 61 MET HB3 6.000 . 6.000 3.460 3.287 3.723 . 0 0 "[ . 1]" 1
468 1 56 ALA MB 1 61 MET ME 6.000 . 6.000 4.416 3.921 5.320 . 0 0 "[ . 1]" 1
469 1 56 ALA MB 1 61 MET HG2 6.000 . 6.000 5.545 5.018 5.880 . 0 0 "[ . 1]" 1
470 1 56 ALA MB 1 61 MET HG3 6.000 . 6.000 5.285 5.049 5.760 . 0 0 "[ . 1]" 1
471 1 56 ALA MB 1 62 VAL H 6.000 . 6.000 5.146 4.866 5.299 . 0 0 "[ . 1]" 1
472 1 56 ALA MB 1 63 LEU H 6.000 . 6.000 4.283 3.626 4.602 . 0 0 "[ . 1]" 1
473 1 56 ALA MB 1 63 LEU QB 5.810 . 5.810 3.726 3.500 3.965 . 0 0 "[ . 1]" 1
474 1 56 ALA MB 1 102 LEU QD 5.920 . 5.920 2.590 2.230 3.024 . 0 0 "[ . 1]" 1
475 1 57 LYS H 1 58 ARG H 6.000 . 6.000 2.115 2.018 2.149 . 0 0 "[ . 1]" 1
476 1 57 LYS H 1 59 GLU H 6.000 . 6.000 3.253 3.160 3.615 . 0 0 "[ . 1]" 1
477 1 57 LYS HA 1 59 GLU H 6.000 . 6.000 3.751 3.621 4.225 . 0 0 "[ . 1]" 1
478 1 57 LYS HA 1 62 VAL QG 5.920 . 5.920 4.443 3.713 4.780 . 0 0 "[ . 1]" 1
479 1 58 ARG HA 1 59 GLU QG 5.810 . 5.810 5.753 5.344 5.915 0.105 2 0 "[ . 1]" 1
480 1 58 ARG HA 1 60 GLY H 6.000 . 6.000 3.591 3.455 3.801 . 0 0 "[ . 1]" 1
481 1 58 ARG QB 1 59 GLU QB 5.610 . 5.610 4.072 3.938 4.148 . 0 0 "[ . 1]" 1
482 1 59 GLU H 1 61 MET H 6.000 . 6.000 3.997 3.715 4.772 . 0 0 "[ . 1]" 1
483 1 59 GLU H 1 61 MET ME 6.000 . 6.000 5.972 5.601 6.313 0.313 10 0 "[ . 1]" 1
484 1 59 GLU HA 1 61 MET QB 5.810 . 5.810 5.376 5.259 5.527 . 0 0 "[ . 1]" 1
485 1 59 GLU HA 1 61 MET QG 5.810 . 5.810 5.593 5.319 5.993 0.183 7 0 "[ . 1]" 1
486 1 59 GLU QB 1 61 MET QG 5.610 . 5.610 3.615 3.204 4.278 . 0 0 "[ . 1]" 1
487 1 59 GLU QG 1 61 MET ME 5.810 . 5.810 4.109 2.982 4.647 . 0 0 "[ . 1]" 1
488 1 60 GLY H 1 61 MET H 6.000 . 6.000 2.975 2.732 3.698 . 0 0 "[ . 1]" 1
489 1 61 MET H 1 61 MET ME 6.000 . 6.000 4.777 3.917 5.171 . 0 0 "[ . 1]" 1
490 1 61 MET H 1 62 VAL H 6.000 . 6.000 4.417 4.349 4.540 . 0 0 "[ . 1]" 1
491 1 61 MET H 1 102 LEU QD 5.920 . 5.920 5.588 5.343 5.930 0.010 6 0 "[ . 1]" 1
492 1 61 MET HA 1 61 MET ME 6.000 . 6.000 4.616 4.534 4.674 . 0 0 "[ . 1]" 1
493 1 61 MET HA 1 62 VAL HB 6.000 . 6.000 5.601 5.558 5.725 . 0 0 "[ . 1]" 1
494 1 61 MET HA 1 62 VAL QG 5.920 . 5.920 3.148 3.036 3.301 . 0 0 "[ . 1]" 1
495 1 61 MET HA 1 102 LEU QD 5.920 . 5.920 5.130 4.687 5.583 . 0 0 "[ . 1]" 1
496 1 61 MET HA 1 103 GLU H 6.000 . 6.000 5.413 4.564 6.022 0.022 5 0 "[ . 1]" 1
497 1 61 MET HA 1 104 ARG HA 6.000 . 6.000 4.173 3.287 5.049 . 0 0 "[ . 1]" 1
498 1 61 MET HA 1 105 LYS H 6.000 . 6.000 3.865 3.194 4.601 . 0 0 "[ . 1]" 1
499 1 61 MET QB 1 102 LEU HA 5.810 . 5.810 4.919 4.574 5.491 . 0 0 "[ . 1]" 1
500 1 61 MET QB 1 102 LEU QD 5.180 . 5.180 2.845 2.428 3.263 . 0 0 "[ . 1]" 1
501 1 61 MET HB2 1 62 VAL H 6.000 . 6.000 4.180 4.072 4.384 . 0 0 "[ . 1]" 1
502 1 61 MET HB3 1 62 VAL H 6.000 . 6.000 3.002 2.796 3.409 . 0 0 "[ . 1]" 1
503 1 61 MET ME 1 62 VAL H 6.000 . 6.000 5.652 5.211 5.990 . 0 0 "[ . 1]" 1
504 1 61 MET ME 1 102 LEU QB 5.810 . 5.810 4.222 3.407 4.872 . 0 0 "[ . 1]" 1
505 1 61 MET ME 1 102 LEU MD1 6.000 . 6.000 4.982 4.150 5.933 . 0 0 "[ . 1]" 1
506 1 61 MET ME 1 102 LEU MD2 6.000 . 6.000 3.099 2.283 4.071 . 0 0 "[ . 1]" 1
507 1 61 MET ME 1 103 GLU H 6.000 . 6.000 5.641 5.009 5.982 . 0 0 "[ . 1]" 1
508 1 61 MET ME 1 103 GLU HA 6.000 . 6.000 6.069 5.722 6.350 0.350 7 0 "[ . 1]" 1
509 1 61 MET ME 1 104 ARG H 6.000 . 6.000 5.477 5.116 5.961 . 0 0 "[ . 1]" 1
510 1 61 MET ME 1 104 ARG HA 6.000 . 6.000 3.877 3.189 4.517 . 0 0 "[ . 1]" 1
511 1 61 MET ME 1 104 ARG QB 5.810 . 5.810 4.397 3.692 5.065 . 0 0 "[ . 1]" 1
512 1 61 MET ME 1 104 ARG QD 5.810 . 5.810 3.920 3.401 4.711 . 0 0 "[ . 1]" 1
513 1 61 MET QG 1 62 VAL H 5.810 . 5.810 3.491 3.324 3.747 . 0 0 "[ . 1]" 1
514 1 61 MET QG 1 102 LEU QD 5.280 . 5.280 3.963 3.360 4.306 . 0 0 "[ . 1]" 1
515 1 61 MET QG 1 104 ARG H 5.810 . 5.810 4.814 4.193 5.414 . 0 0 "[ . 1]" 1
516 1 61 MET QG 1 105 LYS H 5.810 . 5.810 3.040 2.602 3.529 . 0 0 "[ . 1]" 1
517 1 61 MET QG 1 105 LYS QB 5.610 . 5.610 4.215 3.674 5.171 . 0 0 "[ . 1]" 1
518 1 61 MET HG2 1 104 ARG HA 6.000 . 6.000 2.516 1.905 2.980 . 0 0 "[ . 1]" 1
519 1 61 MET HG3 1 104 ARG HA 6.000 . 6.000 3.695 3.207 4.146 . 0 0 "[ . 1]" 1
520 1 62 VAL H 1 102 LEU HA 6.000 . 6.000 5.463 4.935 5.798 . 0 0 "[ . 1]" 1
521 1 62 VAL H 1 103 GLU H 6.000 . 6.000 3.996 3.398 4.358 . 0 0 "[ . 1]" 1
522 1 62 VAL HA 1 63 LEU QB 5.810 . 5.810 4.061 3.985 4.161 . 0 0 "[ . 1]" 1
523 1 62 VAL HA 1 102 LEU QD 5.920 . 5.920 5.427 4.916 5.793 . 0 0 "[ . 1]" 1
524 1 62 VAL HB 1 63 LEU H 6.000 . 6.000 3.373 3.128 3.501 . 0 0 "[ . 1]" 1
525 1 62 VAL QG 1 63 LEU H 5.920 . 5.920 3.331 3.179 3.418 . 0 0 "[ . 1]" 1
526 1 62 VAL QG 1 64 LEU H 5.920 . 5.920 5.123 4.981 5.188 . 0 0 "[ . 1]" 1
527 1 62 VAL QG 1 102 LEU HA 5.920 . 5.920 5.391 5.070 5.606 . 0 0 "[ . 1]" 1
528 1 62 VAL QG 1 105 LYS H 5.920 . 5.920 4.633 3.752 5.404 . 0 0 "[ . 1]" 1
529 1 62 VAL QG 1 105 LYS QB 5.730 . 5.730 3.335 2.548 4.160 . 0 0 "[ . 1]" 1
530 1 62 VAL QG 1 105 LYS QD 5.730 . 5.730 2.744 2.400 3.397 . 0 0 "[ . 1]" 1
531 1 62 VAL MG1 1 63 LEU HA 6.000 . 6.000 5.336 5.294 5.383 . 0 0 "[ . 1]" 1
532 1 62 VAL MG2 1 63 LEU HA 6.000 . 6.000 4.818 4.726 5.030 . 0 0 "[ . 1]" 1
533 1 63 LEU H 1 64 LEU H 6.000 . 6.000 4.461 4.412 4.497 . 0 0 "[ . 1]" 1
534 1 63 LEU HA 1 64 LEU HG 6.000 . 6.000 4.926 4.837 5.294 . 0 0 "[ . 1]" 1
535 1 63 LEU HA 1 102 LEU HA 6.000 . 6.000 3.073 2.716 3.427 . 0 0 "[ . 1]" 1
536 1 63 LEU HA 1 102 LEU QD 5.920 . 5.920 4.162 3.901 4.356 . 0 0 "[ . 1]" 1
537 1 63 LEU HA 1 103 GLU H 6.000 . 6.000 3.802 2.988 4.334 . 0 0 "[ . 1]" 1
538 1 63 LEU QB 1 64 LEU HG 5.810 . 5.810 5.472 5.358 5.651 . 0 0 "[ . 1]" 1
539 1 63 LEU QB 1 101 LYS H 5.810 . 5.810 4.597 4.029 5.240 . 0 0 "[ . 1]" 1
540 1 63 LEU QD 1 100 PHE QB 5.180 . 5.180 2.770 2.439 3.011 . 0 0 "[ . 1]" 1
541 1 63 LEU QD 1 101 LYS HA 5.920 . 5.920 3.980 3.570 4.411 . 0 0 "[ . 1]" 1
542 1 63 LEU QD 1 101 LYS QB 5.730 . 5.730 4.339 4.180 4.485 . 0 0 "[ . 1]" 1
543 1 63 LEU MD1 1 100 PHE HA 6.000 . 6.000 5.836 3.620 6.239 0.239 8 0 "[ . 1]" 1
544 1 63 LEU MD1 1 101 LYS H 6.000 . 6.000 5.065 2.872 5.507 . 0 0 "[ . 1]" 1
545 1 63 LEU MD2 1 100 PHE HA 6.000 . 6.000 3.751 3.189 6.192 0.192 7 0 "[ . 1]" 1
546 1 63 LEU MD2 1 101 LYS H 6.000 . 6.000 3.027 2.477 5.093 . 0 0 "[ . 1]" 1
547 1 64 LEU H 1 101 LYS H 6.000 . 6.000 3.531 3.116 3.795 . 0 0 "[ . 1]" 1
548 1 64 LEU H 1 102 LEU QD 5.920 . 5.920 5.268 4.929 5.468 . 0 0 "[ . 1]" 1
549 1 64 LEU QB 1 101 LYS H 5.810 . 5.810 4.421 3.919 4.663 . 0 0 "[ . 1]" 1
550 1 64 LEU QD 1 66 LYS H 5.920 . 5.920 5.769 5.516 5.875 . 0 0 "[ . 1]" 1
551 1 64 LEU MD1 1 65 ILE H 6.000 . 6.000 5.060 4.949 5.098 . 0 0 "[ . 1]" 1
552 1 64 LEU MD2 1 65 ILE H 6.000 . 6.000 3.692 3.542 3.825 . 0 0 "[ . 1]" 1
553 1 64 LEU HG 1 65 ILE H 6.000 . 6.000 4.062 3.794 4.151 . 0 0 "[ . 1]" 1
554 1 65 ILE HB 1 79 ALA MB 6.000 . 6.000 2.564 2.056 2.904 . 0 0 "[ . 1]" 1
555 1 65 ILE HB 1 80 GLU H 6.000 . 6.000 4.991 4.770 5.283 . 0 0 "[ . 1]" 1
556 1 65 ILE HB 1 100 PHE HA 6.000 . 6.000 5.716 5.349 5.948 . 0 0 "[ . 1]" 1
557 1 65 ILE MD 1 80 GLU H 6.000 . 6.000 5.246 4.919 5.555 . 0 0 "[ . 1]" 1
558 1 65 ILE MD 1 80 GLU HA 6.000 . 6.000 4.983 4.618 5.303 . 0 0 "[ . 1]" 1
559 1 65 ILE MD 1 100 PHE HA 6.000 . 6.000 5.413 5.297 5.574 . 0 0 "[ . 1]" 1
560 1 65 ILE MD 1 100 PHE QB 5.810 . 5.810 5.832 5.720 5.960 0.150 7 0 "[ . 1]" 1
561 1 65 ILE MD 1 100 PHE QD 6.000 . 6.000 4.217 4.013 4.376 . 0 0 "[ . 1]" 1
562 1 65 ILE QG 1 79 ALA MB 5.810 . 5.810 4.348 3.955 4.645 . 0 0 "[ . 1]" 1
563 1 65 ILE QG 1 98 PRO QG 5.620 . 5.620 5.554 5.219 5.838 0.218 5 0 "[ . 1]" 1
564 1 65 ILE QG 1 100 PHE QD 5.810 . 5.810 2.816 2.613 3.028 . 0 0 "[ . 1]" 1
565 1 65 ILE MG 1 66 LYS H 6.000 . 6.000 2.395 2.210 2.538 . 0 0 "[ . 1]" 1
566 1 65 ILE MG 1 67 PRO HA 6.000 . 6.000 4.648 4.461 4.874 . 0 0 "[ . 1]" 1
567 1 65 ILE MG 1 68 ALA H 6.000 . 6.000 5.000 4.778 5.143 . 0 0 "[ . 1]" 1
568 1 65 ILE MG 1 79 ALA HA 6.000 . 6.000 4.082 3.566 4.355 . 0 0 "[ . 1]" 1
569 1 65 ILE MG 1 79 ALA MB 6.000 . 6.000 2.921 2.520 3.237 . 0 0 "[ . 1]" 1
570 1 65 ILE MG 1 80 GLU H 6.000 . 6.000 3.714 3.459 3.997 . 0 0 "[ . 1]" 1
571 1 65 ILE MG 1 98 PRO HB2 6.000 . 6.000 2.363 2.058 2.667 . 0 0 "[ . 1]" 1
572 1 65 ILE MG 1 98 PRO HD3 6.000 . 6.000 5.162 4.859 5.536 . 0 0 "[ . 1]" 1
573 1 65 ILE MG 1 99 ARG H 6.000 . 6.000 3.059 2.865 3.226 . 0 0 "[ . 1]" 1
574 1 65 ILE MG 1 99 ARG HA 6.000 . 6.000 4.502 4.389 4.797 . 0 0 "[ . 1]" 1
575 1 65 ILE MG 1 100 PHE QD 6.000 . 6.000 3.265 3.045 3.522 . 0 0 "[ . 1]" 1
576 1 65 ILE MG 1 100 PHE QE 6.000 . 6.000 2.611 2.411 2.799 . 0 0 "[ . 1]" 1
577 1 66 LYS H 1 99 ARG H 6.000 . 6.000 2.458 2.271 2.782 . 0 0 "[ . 1]" 1
578 1 66 LYS H 1 99 ARG QB 5.810 . 5.810 3.335 3.182 3.436 . 0 0 "[ . 1]" 1
579 1 66 LYS QB 1 67 PRO HD3 5.810 . 5.810 3.761 3.501 4.206 . 0 0 "[ . 1]" 1
580 1 66 LYS QB 1 99 ARG H 5.810 . 5.810 2.399 2.205 2.611 . 0 0 "[ . 1]" 1
581 1 67 PRO HA 1 76 VAL QG 5.920 . 5.920 5.411 4.710 6.077 0.157 6 0 "[ . 1]" 1
582 1 67 PRO HA 1 78 LYS QB 5.810 . 5.810 5.809 5.747 5.859 0.049 2 0 "[ . 1]" 1
583 1 67 PRO HA 1 79 ALA HA 6.000 . 6.000 2.424 2.171 2.762 . 0 0 "[ . 1]" 1
584 1 67 PRO HA 1 79 ALA MB 6.000 . 6.000 2.365 2.012 2.712 . 0 0 "[ . 1]" 1
585 1 67 PRO HA 1 80 GLU H 6.000 . 6.000 4.280 3.900 4.647 . 0 0 "[ . 1]" 1
586 1 67 PRO HA 1 99 ARG H 6.000 . 6.000 5.951 5.704 6.159 0.159 9 0 "[ . 1]" 1
587 1 67 PRO QB 1 68 ALA HA 5.810 . 5.810 4.657 4.593 4.796 . 0 0 "[ . 1]" 1
588 1 67 PRO QB 1 76 VAL QG 5.730 . 5.730 3.294 2.754 3.898 . 0 0 "[ . 1]" 1
589 1 67 PRO QB 1 77 PHE H 5.810 . 5.810 4.639 4.498 4.769 . 0 0 "[ . 1]" 1
590 1 67 PRO QB 1 78 LYS HA 5.810 . 5.810 3.300 3.131 3.466 . 0 0 "[ . 1]" 1
591 1 67 PRO QB 1 78 LYS QB 5.000 2.140 5.000 5.023 4.966 5.084 0.084 3 0 "[ . 1]" 1
592 1 67 PRO QB 1 78 LYS QG 5.620 . 5.620 4.638 4.326 4.832 . 0 0 "[ . 1]" 1
593 1 67 PRO QB 1 79 ALA H 5.810 . 5.810 3.170 2.817 3.591 . 0 0 "[ . 1]" 1
594 1 67 PRO QB 1 79 ALA MB 5.810 . 5.810 3.101 2.841 3.606 . 0 0 "[ . 1]" 1
595 1 67 PRO QB 1 80 GLU H 5.810 . 5.810 5.583 5.288 5.926 0.116 7 0 "[ . 1]" 1
596 1 67 PRO HB2 1 79 ALA HA 6.000 . 6.000 4.988 4.685 5.505 . 0 0 "[ . 1]" 1
597 1 67 PRO HD2 1 79 ALA MB 6.000 . 6.000 4.612 4.371 5.065 . 0 0 "[ . 1]" 1
598 1 67 PRO HD3 1 79 ALA HA 6.000 . 6.000 5.720 5.463 5.979 . 0 0 "[ . 1]" 1
599 1 67 PRO QG 1 76 VAL QG 5.730 . 5.730 4.301 3.378 5.050 . 0 0 "[ . 1]" 1
600 1 67 PRO QG 1 78 LYS QE 5.810 . 5.810 5.846 5.531 5.946 0.136 7 0 "[ . 1]" 1
601 1 67 PRO QG 1 79 ALA HA 5.810 . 5.810 4.548 4.005 5.569 . 0 0 "[ . 1]" 1
602 1 68 ALA H 1 69 GLN H 6.000 . 6.000 4.646 4.588 4.760 . 0 0 "[ . 1]" 1
603 1 68 ALA H 1 77 PHE H 6.000 . 6.000 5.273 5.105 5.491 . 0 0 "[ . 1]" 1
604 1 68 ALA H 1 77 PHE HB2 6.000 . 6.000 4.882 4.584 5.192 . 0 0 "[ . 1]" 1
605 1 68 ALA H 1 77 PHE HB3 6.000 . 6.000 5.005 4.755 5.251 . 0 0 "[ . 1]" 1
606 1 68 ALA H 1 79 ALA MB 6.000 . 6.000 3.686 3.415 3.923 . 0 0 "[ . 1]" 1
607 1 68 ALA H 1 98 PRO HA 6.000 . 6.000 4.508 4.203 4.758 . 0 0 "[ . 1]" 1
608 1 68 ALA H 1 98 PRO QB 5.810 . 5.810 3.666 3.143 4.219 . 0 0 "[ . 1]" 1
609 1 68 ALA H 1 98 PRO QG 5.810 . 5.810 4.078 3.078 4.798 . 0 0 "[ . 1]" 1
610 1 68 ALA MB 1 69 GLN H 6.000 . 6.000 2.844 2.724 2.985 . 0 0 "[ . 1]" 1
611 1 68 ALA MB 1 69 GLN QB 5.810 . 5.810 4.539 4.386 4.777 . 0 0 "[ . 1]" 1
612 1 68 ALA MB 1 77 PHE HB3 6.000 . 6.000 3.645 3.396 3.859 . 0 0 "[ . 1]" 1
613 1 68 ALA MB 1 77 PHE QD 6.000 . 6.000 4.562 4.096 4.829 . 0 0 "[ . 1]" 1
614 1 68 ALA MB 1 83 ILE HA 6.000 . 6.000 5.516 4.963 5.794 . 0 0 "[ . 1]" 1
615 1 68 ALA MB 1 95 ILE MG 6.000 . 6.000 3.317 2.525 4.209 . 0 0 "[ . 1]" 1
616 1 68 ALA MB 1 96 GLU HB2 6.000 . 6.000 4.643 4.410 4.847 . 0 0 "[ . 1]" 1
617 1 68 ALA MB 1 96 GLU HB3 6.000 . 6.000 4.344 3.940 4.797 . 0 0 "[ . 1]" 1
618 1 68 ALA MB 1 96 GLU QG 5.810 . 5.810 5.644 5.513 5.886 0.076 1 0 "[ . 1]" 1
619 1 68 ALA MB 1 97 GLU HA 6.000 . 6.000 3.319 3.070 3.774 . 0 0 "[ . 1]" 1
620 1 68 ALA MB 1 98 PRO HA 6.000 . 6.000 3.882 3.366 4.097 . 0 0 "[ . 1]" 1
621 1 68 ALA MB 1 98 PRO QB 5.810 . 5.810 3.352 2.528 3.930 . 0 0 "[ . 1]" 1
622 1 68 ALA MB 1 98 PRO QD 5.810 . 5.810 2.394 2.001 2.932 . 0 0 "[ . 1]" 1
623 1 68 ALA MB 1 98 PRO QG 5.810 . 5.810 2.829 1.775 3.642 0.025 5 0 "[ . 1]" 1
624 1 69 GLN H 1 70 CYS H 6.000 . 6.000 4.375 4.344 4.415 . 0 0 "[ . 1]" 1
625 1 69 GLN H 1 76 VAL HA 6.000 . 6.000 5.355 5.194 5.702 . 0 0 "[ . 1]" 1
626 1 69 GLN H 1 77 PHE QD 6.000 . 6.000 5.497 4.990 5.875 . 0 0 "[ . 1]" 1
627 1 69 GLN H 1 95 ILE HA 6.000 . 6.000 4.696 4.315 5.288 . 0 0 "[ . 1]" 1
628 1 69 GLN H 1 95 ILE MG 6.000 . 6.000 3.613 2.950 4.328 . 0 0 "[ . 1]" 1
629 1 69 GLN H 1 96 GLU H 6.000 . 6.000 2.884 2.655 3.353 . 0 0 "[ . 1]" 1
630 1 69 GLN H 1 96 GLU HB2 6.000 . 6.000 2.743 2.245 3.099 . 0 0 "[ . 1]" 1
631 1 69 GLN H 1 96 GLU HB3 6.000 . 6.000 3.181 2.838 3.576 . 0 0 "[ . 1]" 1
632 1 69 GLN H 1 96 GLU QG 5.810 . 5.810 4.614 4.316 4.699 . 0 0 "[ . 1]" 1
633 1 69 GLN HA 1 76 VAL HA 6.000 . 6.000 2.593 2.445 2.861 . 0 0 "[ . 1]" 1
634 1 69 GLN HA 1 76 VAL MG1 6.000 . 6.000 3.559 3.061 5.100 . 0 0 "[ . 1]" 1
635 1 69 GLN HA 1 76 VAL MG2 6.000 . 6.000 4.663 3.007 5.255 . 0 0 "[ . 1]" 1
636 1 69 GLN HA 1 77 PHE H 6.000 . 6.000 2.246 2.002 2.704 . 0 0 "[ . 1]" 1
637 1 69 GLN HA 1 77 PHE QD 6.000 . 6.000 3.445 3.145 3.868 . 0 0 "[ . 1]" 1
638 1 69 GLN HA 1 77 PHE QE 6.000 . 6.000 5.584 5.284 6.055 0.055 2 0 "[ . 1]" 1
639 1 69 GLN QB 1 70 CYS HA 5.810 . 5.810 4.588 4.364 4.731 . 0 0 "[ . 1]" 1
640 1 69 GLN QB 1 74 GLY QA 5.610 . 5.610 5.139 4.708 5.610 . 0 0 "[ . 1]" 1
641 1 69 GLN QB 1 76 VAL QG 5.730 . 5.730 2.478 1.840 3.512 . 0 0 "[ . 1]" 1
642 1 69 GLN QB 1 77 PHE H 5.810 . 5.810 3.646 3.075 4.572 . 0 0 "[ . 1]" 1
643 1 69 GLN QB 1 77 PHE QD 5.810 . 5.810 5.121 4.609 5.797 . 0 0 "[ . 1]" 1
644 1 69 GLN QE 1 74 GLY QA 5.170 . 5.170 4.477 3.458 5.329 0.159 4 0 "[ . 1]" 1
645 1 69 GLN QE 1 76 VAL QG 5.720 . 5.720 3.230 2.725 3.711 . 0 0 "[ . 1]" 1
646 1 69 GLN QG 1 70 CYS H 5.810 . 5.810 3.324 2.439 4.047 . 0 0 "[ . 1]" 1
647 1 69 GLN QG 1 74 GLY H 6.000 . 6.000 5.882 5.219 6.223 0.223 1 0 "[ . 1]" 1
648 1 69 GLN QG 1 74 GLY QA 5.610 . 5.610 4.999 4.159 5.490 . 0 0 "[ . 1]" 1
649 1 69 GLN QG 1 76 VAL HA 5.810 . 5.810 3.566 1.904 4.753 . 0 0 "[ . 1]" 1
650 1 69 GLN QG 1 77 PHE QD 5.810 . 5.810 5.528 4.725 6.110 0.300 10 0 "[ . 1]" 1
651 1 70 CYS H 1 74 GLY H 6.000 . 6.000 5.176 5.055 5.292 . 0 0 "[ . 1]" 1
652 1 70 CYS H 1 75 PHE H 6.000 . 6.000 4.903 4.717 5.049 . 0 0 "[ . 1]" 1
653 1 70 CYS H 1 75 PHE HA 6.000 . 6.000 5.228 5.101 5.373 . 0 0 "[ . 1]" 1
654 1 70 CYS H 1 75 PHE QB 5.810 . 5.810 3.930 3.685 4.155 . 0 0 "[ . 1]" 1
655 1 70 CYS H 1 76 VAL HA 6.000 . 6.000 3.030 2.818 3.339 . 0 0 "[ . 1]" 1
656 1 70 CYS H 1 76 VAL QG 5.920 . 5.920 3.991 3.741 4.252 . 0 0 "[ . 1]" 1
657 1 70 CYS H 1 77 PHE H 6.000 . 6.000 3.646 3.447 3.882 . 0 0 "[ . 1]" 1
658 1 70 CYS H 1 77 PHE QD 6.000 . 6.000 3.216 2.938 3.496 . 0 0 "[ . 1]" 1
659 1 70 CYS HA 1 77 PHE QE 6.000 . 6.000 5.417 4.908 5.819 . 0 0 "[ . 1]" 1
660 1 70 CYS HA 1 95 ILE MD 6.000 . 6.000 5.440 5.277 5.681 . 0 0 "[ . 1]" 1
661 1 70 CYS HA 1 95 ILE MG 6.000 . 6.000 2.772 1.819 3.942 . 0 0 "[ . 1]" 1
662 1 70 CYS QB 1 72 LYS H 5.810 . 5.810 3.254 2.858 3.877 . 0 0 "[ . 1]" 1
663 1 70 CYS QB 1 75 PHE H 5.810 . 5.810 3.174 3.026 3.298 . 0 0 "[ . 1]" 1
664 1 70 CYS QB 1 75 PHE QB 5.610 . 5.610 2.703 2.615 2.802 . 0 0 "[ . 1]" 1
665 1 70 CYS QB 1 77 PHE QE 5.810 . 5.810 3.571 2.698 4.346 . 0 0 "[ . 1]" 1
666 1 70 CYS QB 1 95 ILE MD 5.810 . 5.810 5.893 5.664 6.083 0.273 2 0 "[ . 1]" 1
667 1 70 CYS HB2 1 71 ARG H 6.000 . 6.000 4.270 4.094 4.422 . 0 0 "[ . 1]" 1
668 1 70 CYS HB2 1 74 GLY H 6.000 . 6.000 4.191 3.377 5.354 . 0 0 "[ . 1]" 1
669 1 70 CYS HB3 1 71 ARG H 6.000 . 6.000 3.594 3.226 4.120 . 0 0 "[ . 1]" 1
670 1 70 CYS HB3 1 74 GLY H 6.000 . 6.000 3.714 3.143 4.095 . 0 0 "[ . 1]" 1
671 1 71 ARG H 1 72 LYS H 6.000 . 6.000 2.459 2.404 2.538 . 0 0 "[ . 1]" 1
672 1 71 ARG H 1 94 TRP QB 5.810 . 5.810 3.340 2.482 4.063 . 0 0 "[ . 1]" 1
673 1 71 ARG H 1 96 GLU H 6.000 . 6.000 4.301 3.735 4.766 . 0 0 "[ . 1]" 1
674 1 71 ARG HA 1 74 GLY H 6.000 . 6.000 3.871 3.762 3.996 . 0 0 "[ . 1]" 1
675 1 71 ARG QB 1 94 TRP H 5.810 . 5.810 5.676 5.161 6.031 0.221 5 0 "[ . 1]" 1
676 1 71 ARG QB 1 94 TRP QB 5.180 . 5.180 2.932 2.207 3.429 . 0 0 "[ . 1]" 1
677 1 71 ARG QB 1 94 TRP HD1 5.810 . 5.810 3.819 2.087 5.939 0.129 6 0 "[ . 1]" 1
678 1 71 ARG QG 1 96 GLU H 5.810 . 5.810 4.185 3.718 4.809 . 0 0 "[ . 1]" 1
679 1 71 ARG QG 1 96 GLU QB 5.610 . 5.610 3.254 2.630 3.827 . 0 0 "[ . 1]" 1
680 1 72 LYS H 1 73 CYS HA 6.000 . 6.000 5.009 4.940 5.102 . 0 0 "[ . 1]" 1
681 1 72 LYS H 1 74 GLY H 6.000 . 6.000 3.328 3.187 3.504 . 0 0 "[ . 1]" 1
682 1 72 LYS H 1 74 GLY QA 5.810 . 5.810 4.895 4.745 5.092 . 0 0 "[ . 1]" 1
683 1 72 LYS H 1 75 PHE QB 6.000 . 6.000 5.986 5.847 6.171 0.171 9 0 "[ . 1]" 1
684 1 72 LYS HA 1 74 GLY H 6.000 . 6.000 4.496 4.408 4.657 . 0 0 "[ . 1]" 1
685 1 72 LYS HA 1 74 GLY QA 5.810 . 5.810 5.660 5.586 5.827 0.017 1 0 "[ . 1]" 1
686 1 72 LYS QB 1 74 GLY H 5.810 . 5.810 4.382 4.303 4.538 . 0 0 "[ . 1]" 1
687 1 72 LYS HB2 1 73 CYS H 6.000 . 6.000 2.966 2.869 3.152 . 0 0 "[ . 1]" 1
688 1 72 LYS HB3 1 73 CYS H 6.000 . 6.000 2.875 2.705 2.943 . 0 0 "[ . 1]" 1
689 1 72 LYS QG 1 73 CYS H 5.810 . 5.810 4.384 4.327 4.461 . 0 0 "[ . 1]" 1
690 1 72 LYS QG 1 74 GLY H 5.810 . 5.810 5.764 5.702 5.910 0.100 9 0 "[ . 1]" 1
691 1 73 CYS H 1 74 GLY H 6.000 . 6.000 2.340 2.295 2.421 . 0 0 "[ . 1]" 1
692 1 73 CYS H 1 74 GLY HA2 6.000 . 6.000 4.660 4.610 4.758 . 0 0 "[ . 1]" 1
693 1 73 CYS H 1 74 GLY HA3 6.000 . 6.000 5.005 4.961 5.116 . 0 0 "[ . 1]" 1
694 1 73 CYS H 1 75 PHE H 6.000 . 6.000 3.878 3.780 4.104 . 0 0 "[ . 1]" 1
695 1 73 CYS H 1 75 PHE QB 5.810 . 5.810 4.633 4.548 4.742 . 0 0 "[ . 1]" 1
696 1 73 CYS QB 1 90 CYS QB 5.180 . 5.180 4.606 3.368 5.509 0.329 7 0 "[ . 1]" 1
697 1 73 CYS HB2 1 74 GLY H 6.000 . 6.000 3.931 3.192 4.070 . 0 0 "[ . 1]" 1
698 1 73 CYS HB3 1 74 GLY H 6.000 . 6.000 4.346 4.138 4.400 . 0 0 "[ . 1]" 1
699 1 74 GLY H 1 75 PHE H 6.000 . 6.000 2.757 2.734 2.794 . 0 0 "[ . 1]" 1
700 1 74 GLY H 1 75 PHE QB 5.810 . 5.810 4.340 4.297 4.400 . 0 0 "[ . 1]" 1
701 1 75 PHE H 1 76 VAL H 6.000 . 6.000 4.563 4.543 4.601 . 0 0 "[ . 1]" 1
702 1 75 PHE QB 1 76 VAL QG 5.730 . 5.730 4.434 4.277 4.685 . 0 0 "[ . 1]" 1
703 1 75 PHE QB 1 77 PHE QD 5.810 . 5.810 3.900 3.458 4.480 . 0 0 "[ . 1]" 1
704 1 75 PHE QB 1 77 PHE QE 5.810 . 5.810 3.467 3.022 3.885 . 0 0 "[ . 1]" 1
705 1 75 PHE HB2 1 76 VAL H 6.000 . 6.000 4.342 4.295 4.456 . 0 0 "[ . 1]" 1
706 1 75 PHE HB3 1 76 VAL H 6.000 . 6.000 3.770 3.669 3.903 . 0 0 "[ . 1]" 1
707 1 75 PHE QD 1 76 VAL H 6.000 . 6.000 3.452 3.308 3.584 . 0 0 "[ . 1]" 1
708 1 75 PHE QD 1 76 VAL HB 6.000 . 6.000 5.673 5.386 6.026 0.026 6 0 "[ . 1]" 1
709 1 75 PHE QD 1 77 PHE HA 6.000 . 6.000 4.240 4.066 4.389 . 0 0 "[ . 1]" 1
710 1 75 PHE QD 1 77 PHE HB3 6.000 . 6.000 5.911 5.614 6.087 0.087 2 0 "[ . 1]" 1
711 1 75 PHE QD 1 77 PHE QE 6.000 . 6.000 3.256 3.037 3.614 . 0 0 "[ . 1]" 1
712 1 75 PHE QD 1 88 PRO QD 5.810 . 5.810 5.796 5.461 6.060 0.250 5 0 "[ . 1]" 1
713 1 75 PHE QD 1 89 LYS QB 5.810 . 5.810 4.756 4.046 6.031 0.221 9 0 "[ . 1]" 1
714 1 75 PHE QD 1 89 LYS QD 5.810 . 5.810 3.781 3.467 4.961 . 0 0 "[ . 1]" 1
715 1 75 PHE QD 1 89 LYS QE 5.810 . 5.810 4.423 2.904 5.769 . 0 0 "[ . 1]" 1
716 1 75 PHE QD 1 89 LYS HG2 6.000 . 6.000 5.992 4.963 6.366 0.366 2 0 "[ . 1]" 1
717 1 75 PHE QD 1 89 LYS HG3 6.000 . 6.000 5.677 4.802 6.407 0.407 6 0 "[ . 1]" 1
718 1 75 PHE QE 1 76 VAL QG 5.920 . 5.920 5.062 4.472 5.791 . 0 0 "[ . 1]" 1
719 1 75 PHE QE 1 77 PHE HA 6.000 . 6.000 4.546 3.784 5.233 . 0 0 "[ . 1]" 1
720 1 75 PHE QE 1 77 PHE QD 6.000 . 6.000 4.792 3.881 5.280 . 0 0 "[ . 1]" 1
721 1 75 PHE QE 1 77 PHE QE 6.000 . 6.000 4.412 3.596 4.839 . 0 0 "[ . 1]" 1
722 1 75 PHE QE 1 88 PRO QD 6.000 . 6.000 5.722 5.226 6.242 0.242 5 0 "[ . 1]" 1
723 1 75 PHE QE 1 88 PRO QG 5.810 . 5.810 5.875 5.433 6.267 0.457 7 0 "[ . 1]" 1
724 1 75 PHE QE 1 89 LYS HE2 6.000 . 6.000 4.097 3.523 4.786 . 0 0 "[ . 1]" 1
725 1 75 PHE QE 1 89 LYS HE3 6.000 . 6.000 3.535 2.202 5.201 . 0 0 "[ . 1]" 1
726 1 76 VAL HA 1 77 PHE QD 6.000 . 6.000 3.944 3.760 4.171 . 0 0 "[ . 1]" 1
727 1 76 VAL HB 1 77 PHE H 6.000 . 6.000 3.747 3.323 4.251 . 0 0 "[ . 1]" 1
728 1 76 VAL QG 1 77 PHE HA 5.920 . 5.920 4.226 3.631 4.507 . 0 0 "[ . 1]" 1
729 1 76 VAL MG1 1 77 PHE H 6.000 . 6.000 3.145 2.476 4.044 . 0 0 "[ . 1]" 1
730 1 76 VAL MG2 1 77 PHE H 6.000 . 6.000 4.133 2.444 4.498 . 0 0 "[ . 1]" 1
731 1 77 PHE H 1 78 LYS H 6.000 . 6.000 4.524 4.502 4.542 . 0 0 "[ . 1]" 1
732 1 77 PHE H 1 95 ILE MG 6.000 . 6.000 5.240 4.911 5.497 . 0 0 "[ . 1]" 1
733 1 77 PHE HA 1 77 PHE QE 6.000 . 6.000 4.520 4.441 4.649 . 0 0 "[ . 1]" 1
734 1 77 PHE HB2 1 78 LYS H 6.000 . 6.000 4.141 4.096 4.188 . 0 0 "[ . 1]" 1
735 1 77 PHE HB3 1 78 LYS H 6.000 . 6.000 2.904 2.830 2.981 . 0 0 "[ . 1]" 1
736 1 77 PHE QD 1 84 PRO QB 5.810 . 5.810 5.939 5.649 6.078 0.268 10 0 "[ . 1]" 1
737 1 77 PHE QD 1 84 PRO QD 5.810 . 5.810 5.456 5.016 5.649 . 0 0 "[ . 1]" 1
738 1 77 PHE QD 1 84 PRO HG2 6.000 . 6.000 4.871 4.716 4.999 . 0 0 "[ . 1]" 1
739 1 77 PHE QD 1 84 PRO HG3 6.000 . 6.000 6.045 5.817 6.261 0.261 10 0 "[ . 1]" 1
740 1 77 PHE QD 1 95 ILE MD 6.000 . 6.000 6.094 5.837 6.286 0.286 5 0 "[ . 1]" 1
741 1 77 PHE QD 1 95 ILE MG 6.000 . 6.000 3.844 3.553 4.170 . 0 0 "[ . 1]" 1
742 1 77 PHE QE 1 84 PRO QD 5.810 . 5.810 5.792 5.052 6.131 0.321 7 0 "[ . 1]" 1
743 1 77 PHE QE 1 84 PRO QG 5.810 . 5.810 4.580 4.124 4.842 . 0 0 "[ . 1]" 1
744 1 77 PHE QE 1 87 CYS H 6.000 . 6.000 5.922 5.456 6.190 0.190 2 0 "[ . 1]" 1
745 1 77 PHE QE 1 87 CYS HA 6.000 . 6.000 4.040 3.759 4.314 . 0 0 "[ . 1]" 1
746 1 77 PHE QE 1 88 PRO HD2 6.000 . 6.000 2.798 1.986 3.345 . 0 0 "[ . 1]" 1
747 1 77 PHE QE 1 88 PRO HD3 6.000 . 6.000 3.320 2.714 3.956 . 0 0 "[ . 1]" 1
748 1 77 PHE QE 1 88 PRO QG 5.810 . 5.810 3.055 2.311 4.137 . 0 0 "[ . 1]" 1
749 1 77 PHE QE 1 95 ILE MD 6.000 . 6.000 6.008 5.703 6.199 0.199 4 0 "[ . 1]" 1
750 1 77 PHE QE 1 95 ILE MG 6.000 . 6.000 4.384 4.040 4.970 . 0 0 "[ . 1]" 1
751 1 78 LYS QB 1 79 ALA MB 5.810 . 5.810 4.197 4.010 4.501 . 0 0 "[ . 1]" 1
752 1 79 ALA HA 1 98 PRO QB 5.810 . 5.810 4.106 3.797 4.522 . 0 0 "[ . 1]" 1
753 1 79 ALA MB 1 80 GLU H 6.000 . 6.000 3.132 2.955 3.298 . 0 0 "[ . 1]" 1
754 1 79 ALA MB 1 80 GLU HA 6.000 . 6.000 4.170 4.081 4.347 . 0 0 "[ . 1]" 1
755 1 79 ALA MB 1 81 ILE H 6.000 . 6.000 5.987 5.811 6.101 0.101 9 0 "[ . 1]" 1
756 1 79 ALA MB 1 98 PRO HB2 6.000 . 6.000 4.940 4.572 5.414 . 0 0 "[ . 1]" 1
757 1 79 ALA MB 1 99 ARG H 6.000 . 6.000 5.563 5.044 5.771 . 0 0 "[ . 1]" 1
758 1 80 GLU H 1 98 PRO QB 5.810 . 5.810 3.814 3.451 4.363 . 0 0 "[ . 1]" 1
759 1 81 ILE HA 1 98 PRO QG 5.810 . 5.810 4.099 3.369 4.877 . 0 0 "[ . 1]" 1
760 1 81 ILE HA 1 100 PHE QE 6.000 . 6.000 3.922 3.780 4.041 . 0 0 "[ . 1]" 1
761 1 81 ILE HB 1 82 ASN H 6.000 . 6.000 2.493 2.157 4.357 . 0 0 "[ . 1]" 1
762 1 81 ILE HB 1 100 PHE QE 6.000 . 6.000 5.223 4.892 5.461 . 0 0 "[ . 1]" 1
763 1 81 ILE MD 1 100 PHE HZ 6.000 . 6.000 5.842 5.530 6.205 0.205 7 0 "[ . 1]" 1
764 1 81 ILE MG 1 82 ASN H 6.000 . 6.000 3.827 3.693 4.368 . 0 0 "[ . 1]" 1
765 1 81 ILE MG 1 82 ASN HA 6.000 . 6.000 5.340 5.246 5.542 . 0 0 "[ . 1]" 1
766 1 81 ILE MG 1 82 ASN QB 5.810 . 5.810 5.245 5.149 5.572 . 0 0 "[ . 1]" 1
767 1 81 ILE MG 1 100 PHE QE 6.000 . 6.000 2.873 2.455 3.269 . 0 0 "[ . 1]" 1
768 1 81 ILE MG 1 100 PHE HZ 6.000 . 6.000 2.574 1.836 3.314 . 0 0 "[ . 1]" 1
769 1 82 ASN H 1 100 PHE HZ 6.000 . 6.000 5.862 4.523 6.152 0.152 8 0 "[ . 1]" 1
770 1 82 ASN HA 1 83 ILE HB 6.000 . 6.000 4.372 3.968 4.901 . 0 0 "[ . 1]" 1
771 1 82 ASN HA 1 83 ILE QG 5.810 . 5.810 4.754 3.389 5.887 0.077 7 0 "[ . 1]" 1
772 1 82 ASN QB 1 83 ILE HB 5.810 . 5.810 5.199 5.038 5.478 . 0 0 "[ . 1]" 1
773 1 82 ASN QB 1 83 ILE MD 5.810 . 5.810 5.461 4.885 6.024 0.214 7 0 "[ . 1]" 1
774 1 82 ASN QB 1 83 ILE MG 5.810 . 5.810 5.126 4.140 5.798 . 0 0 "[ . 1]" 1
775 1 83 ILE HA 1 95 ILE MD 6.000 . 6.000 5.612 4.633 6.365 0.365 5 0 "[ . 1]" 1
776 1 83 ILE MD 1 84 PRO HD2 6.000 . 6.000 4.702 3.357 5.682 . 0 0 "[ . 1]" 1
777 1 83 ILE MD 1 84 PRO HD3 6.000 . 6.000 4.612 3.812 5.547 . 0 0 "[ . 1]" 1
778 1 83 ILE MD 1 95 ILE QG 6.000 . 6.000 5.948 5.056 6.344 0.344 10 0 "[ . 1]" 1
779 1 83 ILE MD 1 97 GLU H 6.000 . 6.000 5.499 4.817 6.265 0.265 4 0 "[ . 1]" 1
780 1 83 ILE MD 1 97 GLU HA 6.000 . 6.000 3.497 2.704 4.613 . 0 0 "[ . 1]" 1
781 1 83 ILE MD 1 97 GLU HB2 6.000 . 6.000 4.734 4.365 5.294 . 0 0 "[ . 1]" 1
782 1 83 ILE MD 1 97 GLU HB3 6.000 . 6.000 4.370 3.887 4.979 . 0 0 "[ . 1]" 1
783 1 83 ILE MD 1 97 GLU QG 5.810 . 5.810 2.348 2.016 2.711 . 0 0 "[ . 1]" 1
784 1 83 ILE QG 1 95 ILE HB 5.810 . 5.810 4.991 4.130 5.859 0.049 4 0 "[ . 1]" 1
785 1 83 ILE QG 1 95 ILE QG 6.000 . 6.000 5.562 5.037 5.870 . 0 0 "[ . 1]" 1
786 1 83 ILE MG 1 84 PRO QB 5.810 . 5.810 4.341 3.793 5.508 . 0 0 "[ . 1]" 1
787 1 83 ILE MG 1 84 PRO HD2 6.000 . 6.000 3.288 2.229 4.929 . 0 0 "[ . 1]" 1
788 1 83 ILE MG 1 84 PRO HD3 6.000 . 6.000 3.705 2.837 4.606 . 0 0 "[ . 1]" 1
789 1 83 ILE MG 1 84 PRO QG 5.810 . 5.810 4.496 3.933 5.336 . 0 0 "[ . 1]" 1
790 1 83 ILE MG 1 95 ILE MD 5.990 . 5.990 3.635 2.224 6.042 0.052 7 0 "[ . 1]" 1
791 1 83 ILE MG 1 95 ILE MG 6.000 . 6.000 5.013 2.697 6.201 0.201 7 0 "[ . 1]" 1
792 1 83 ILE MG 1 97 GLU HA 6.000 . 6.000 5.540 4.481 6.264 0.264 7 0 "[ . 1]" 1
793 1 84 PRO QB 1 86 ARG H 5.810 . 5.810 2.908 2.676 3.179 . 0 0 "[ . 1]" 1
794 1 84 PRO QB 1 95 ILE MG 5.810 . 5.810 5.199 3.845 5.949 0.139 9 0 "[ . 1]" 1
795 1 84 PRO HD2 1 95 ILE MG 6.000 . 6.000 4.414 2.842 5.001 . 0 0 "[ . 1]" 1
796 1 84 PRO HD3 1 95 ILE MG 6.000 . 6.000 5.588 3.998 6.229 0.229 2 0 "[ . 1]" 1
797 1 84 PRO QG 1 95 ILE MG 5.810 . 5.810 5.114 3.490 5.691 . 0 0 "[ . 1]" 1
798 1 85 SER HA 1 86 ARG QB 5.810 . 5.810 5.070 4.821 5.204 . 0 0 "[ . 1]" 1
799 1 85 SER QB 1 86 ARG QB 5.610 . 5.610 3.704 3.476 3.938 . 0 0 "[ . 1]" 1
800 1 86 ARG H 1 87 CYS H 6.000 . 6.000 4.318 4.039 4.395 . 0 0 "[ . 1]" 1
801 1 86 ARG H 1 95 ILE MD 6.000 . 6.000 5.302 4.315 5.984 . 0 0 "[ . 1]" 1
802 1 86 ARG HA 1 95 ILE MD 6.000 . 6.000 4.774 3.265 5.948 . 0 0 "[ . 1]" 1
803 1 87 CYS H 1 88 PRO QD 5.810 . 5.810 4.519 4.380 4.854 . 0 0 "[ . 1]" 1
804 1 87 CYS H 1 91 LYS HA 6.000 . 6.000 3.693 2.287 5.482 . 0 0 "[ . 1]" 1
805 1 87 CYS H 1 92 SER H 6.000 . 6.000 4.121 2.666 5.188 . 0 0 "[ . 1]" 1
806 1 87 CYS H 1 92 SER QB 5.810 . 5.810 4.377 1.943 5.978 0.168 9 0 "[ . 1]" 1
807 1 87 CYS H 1 95 ILE MD 6.000 . 6.000 5.138 3.837 6.219 0.219 2 0 "[ . 1]" 1
808 1 87 CYS HA 1 89 LYS H 6.000 . 6.000 4.166 3.933 5.219 . 0 0 "[ . 1]" 1
809 1 87 CYS HA 1 95 ILE MD 6.000 . 6.000 5.648 4.690 6.247 0.247 9 0 "[ . 1]" 1
810 1 87 CYS QB 1 88 PRO QD 5.620 . 5.620 3.111 2.669 3.572 . 0 0 "[ . 1]" 1
811 1 87 CYS QB 1 89 LYS H 5.810 . 5.810 3.027 2.441 3.770 . 0 0 "[ . 1]" 1
812 1 87 CYS QB 1 90 CYS H 5.810 . 5.810 2.947 2.335 5.023 . 0 0 "[ . 1]" 1
813 1 87 CYS QB 1 90 CYS HA 5.810 . 5.810 4.643 4.304 5.087 . 0 0 "[ . 1]" 1
814 1 87 CYS QB 1 91 LYS H 5.810 . 5.810 3.764 1.995 5.076 . 0 0 "[ . 1]" 1
815 1 87 CYS QB 1 92 SER H 5.810 . 5.810 3.493 2.316 4.736 . 0 0 "[ . 1]" 1
816 1 87 CYS QB 1 95 ILE MD 5.810 . 5.810 5.373 4.688 6.076 0.266 6 0 "[ . 1]" 1
817 1 88 PRO HA 1 89 LYS HA 6.000 . 6.000 4.661 4.591 4.772 . 0 0 "[ . 1]" 1
818 1 88 PRO QB 1 89 LYS HA 5.270 . 5.270 4.095 3.915 4.418 . 0 0 "[ . 1]" 1
819 1 88 PRO QD 1 89 LYS HA 5.810 . 5.810 5.192 4.842 5.544 . 0 0 "[ . 1]" 1
820 1 89 LYS H 1 90 CYS H 6.000 . 6.000 2.815 2.492 4.516 . 0 0 "[ . 1]" 1
821 1 90 CYS H 1 91 LYS H 6.000 . 6.000 3.575 2.315 4.340 . 0 0 "[ . 1]" 1
822 1 91 LYS H 1 91 LYS QD 5.810 . 5.810 4.404 3.972 4.883 . 0 0 "[ . 1]" 1
823 1 91 LYS H 1 92 SER H 6.000 . 6.000 3.376 1.527 4.646 0.273 7 0 "[ . 1]" 1
824 1 92 SER HA 1 94 TRP H 6.000 . 6.000 3.807 3.063 4.976 . 0 0 "[ . 1]" 1
825 1 92 SER HA 1 95 ILE MD 6.000 . 6.000 5.846 4.993 6.286 0.286 9 0 "[ . 1]" 1
826 1 93 GLU H 1 94 TRP H 6.000 . 6.000 2.205 1.700 2.574 0.100 7 0 "[ . 1]" 1
827 1 93 GLU QB 1 94 TRP HE3 5.810 . 5.810 4.140 2.789 6.309 0.499 6 0 "[ . 1]" 1
828 1 93 GLU QG 1 94 TRP H 5.810 . 5.810 4.537 4.340 4.695 . 0 0 "[ . 1]" 1
829 1 94 TRP H 1 94 TRP HD1 6.000 . 6.000 4.840 3.222 5.540 . 0 0 "[ . 1]" 1
830 1 94 TRP H 1 95 ILE H 6.000 . 6.000 4.000 3.767 4.132 . 0 0 "[ . 1]" 1
831 1 94 TRP H 1 95 ILE MD 6.000 . 6.000 4.813 3.916 5.864 . 0 0 "[ . 1]" 1
832 1 94 TRP HA 1 95 ILE HB 6.000 . 6.000 5.396 5.066 5.785 . 0 0 "[ . 1]" 1
833 1 94 TRP QB 1 95 ILE HA 5.620 . 5.620 4.287 4.208 4.486 . 0 0 "[ . 1]" 1
834 1 94 TRP HB2 1 95 ILE H 6.000 . 6.000 4.605 4.521 4.662 . 0 0 "[ . 1]" 1
835 1 94 TRP HB3 1 95 ILE H 6.000 . 6.000 4.072 3.930 4.169 . 0 0 "[ . 1]" 1
836 1 94 TRP HD1 1 95 ILE H 6.000 . 6.000 5.159 4.579 6.244 0.244 1 0 "[ . 1]" 1
837 1 94 TRP HE3 1 95 ILE H 6.000 . 6.000 5.336 4.065 5.859 . 0 0 "[ . 1]" 1
838 1 95 ILE MD 1 96 GLU H 6.000 . 6.000 4.894 4.474 5.164 . 0 0 "[ . 1]" 1
839 1 95 ILE MD 1 96 GLU HA 6.000 . 6.000 5.746 5.247 6.111 0.111 9 0 "[ . 1]" 1
840 1 95 ILE MG 1 96 GLU H 6.000 . 6.000 2.553 2.205 3.221 . 0 0 "[ . 1]" 1
841 1 95 ILE MG 1 96 GLU HB2 6.000 . 6.000 4.309 3.918 4.934 . 0 0 "[ . 1]" 1
842 1 95 ILE MG 1 96 GLU HB3 6.000 . 6.000 5.147 4.545 6.027 0.027 4 0 "[ . 1]" 1
843 1 95 ILE MG 1 96 GLU QG 5.810 . 5.810 5.226 4.951 5.738 . 0 0 "[ . 1]" 1
844 1 95 ILE MG 1 97 GLU HA 6.000 . 6.000 5.122 4.052 6.216 0.216 4 0 "[ . 1]" 1
845 1 96 GLU H 1 97 GLU H 6.000 . 6.000 4.557 4.531 4.594 . 0 0 "[ . 1]" 1
846 1 96 GLU HA 1 97 GLU QG 5.810 . 5.810 4.873 4.395 5.218 . 0 0 "[ . 1]" 1
847 1 97 GLU H 1 98 PRO QD 5.810 . 5.810 4.524 4.482 4.635 . 0 0 "[ . 1]" 1
848 1 97 GLU QB 1 98 PRO HA 5.430 . 5.430 4.649 4.513 4.921 . 0 0 "[ . 1]" 1
849 1 97 GLU QB 1 98 PRO QD 5.620 . 5.620 3.059 2.896 3.442 . 0 0 "[ . 1]" 1
850 1 97 GLU QB 1 98 PRO QG 5.620 . 5.620 4.330 3.892 4.978 . 0 0 "[ . 1]" 1
851 1 98 PRO HA 1 100 PHE QE 6.000 . 6.000 5.782 5.444 6.029 0.029 3 0 "[ . 1]" 1
852 1 98 PRO QB 1 100 PHE HZ 5.810 . 5.810 4.036 3.583 4.488 . 0 0 "[ . 1]" 1
853 1 98 PRO HB2 1 100 PHE QE 6.000 . 6.000 3.535 2.876 3.998 . 0 0 "[ . 1]" 1
854 1 98 PRO HD3 1 100 PHE QE 6.000 . 6.000 5.680 5.101 5.972 . 0 0 "[ . 1]" 1
855 1 98 PRO QG 1 100 PHE QD 5.810 . 5.810 4.891 4.062 5.900 0.090 4 0 "[ . 1]" 1
856 1 98 PRO QG 1 100 PHE HZ 5.810 . 5.810 4.026 3.122 4.746 . 0 0 "[ . 1]" 1
857 1 98 PRO HG2 1 100 PHE QE 6.000 . 6.000 3.538 2.695 4.775 . 0 0 "[ . 1]" 1
858 1 98 PRO HG3 1 100 PHE QE 6.000 . 6.000 4.775 3.754 5.922 . 0 0 "[ . 1]" 1
859 1 99 ARG H 1 100 PHE H 6.000 . 6.000 4.353 4.285 4.392 . 0 0 "[ . 1]" 1
860 1 99 ARG HA 1 100 PHE QD 6.000 . 6.000 3.635 3.552 3.859 . 0 0 "[ . 1]" 1
861 1 100 PHE HA 1 101 LYS HA 6.000 . 6.000 4.410 4.390 4.463 . 0 0 "[ . 1]" 1
862 1 100 PHE HA 1 101 LYS HB2 6.000 . 6.000 4.118 4.056 4.230 . 0 0 "[ . 1]" 1
863 1 100 PHE HA 1 101 LYS HB3 6.000 . 6.000 5.377 5.276 5.574 . 0 0 "[ . 1]" 1
864 1 100 PHE QD 1 101 LYS H 6.000 . 6.000 3.927 3.735 4.190 . 0 0 "[ . 1]" 1
865 1 101 LYS H 1 101 LYS QD 5.810 . 5.810 4.920 4.774 4.985 . 0 0 "[ . 1]" 1
866 1 102 LEU H 1 103 GLU QB 5.810 . 5.810 5.238 5.175 5.282 . 0 0 "[ . 1]" 1
867 1 102 LEU HA 1 103 GLU QB 5.810 . 5.810 4.018 3.934 4.497 . 0 0 "[ . 1]" 1
868 1 102 LEU QB 1 103 GLU QB 5.610 . 5.610 4.888 4.818 4.999 . 0 0 "[ . 1]" 1
869 1 102 LEU QD 1 103 GLU H 5.920 . 5.920 3.590 3.452 3.761 . 0 0 "[ . 1]" 1
870 1 102 LEU HG 1 103 GLU H 6.000 . 6.000 3.876 3.624 4.141 . 0 0 "[ . 1]" 1
871 1 103 GLU QB 1 105 LYS H 5.810 . 5.810 5.134 4.852 5.609 . 0 0 "[ . 1]" 1
872 1 103 GLU QB 1 105 LYS HA 5.810 . 5.810 5.554 5.391 5.740 . 0 0 "[ . 1]" 1
873 1 104 ARG H 1 104 ARG QD 5.810 . 5.810 4.209 4.015 4.396 . 0 0 "[ . 1]" 1
874 1 104 ARG H 1 105 LYS H 6.000 . 6.000 4.603 4.494 4.791 . 0 0 "[ . 1]" 1
875 1 104 ARG QD 1 105 LYS H 5.810 . 5.810 5.076 4.630 5.312 . 0 0 "[ . 1]" 1
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