NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
572257 |
2m45   |
18986 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m45
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 1762
_Distance_constraint_stats_list.Viol_count 922
_Distance_constraint_stats_list.Viol_total 1126.207
_Distance_constraint_stats_list.Viol_max 0.112
_Distance_constraint_stats_list.Viol_rms 0.0103
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0016
_Distance_constraint_stats_list.Viol_average_violations_only 0.0611
_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 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLY 0.162 0.056 17 0 "[ . 1 . 2]"
1 6 GLU 0.162 0.056 17 0 "[ . 1 . 2]"
1 8 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LYS 0.159 0.064 14 0 "[ . 1 . 2]"
1 10 ILE 1.214 0.112 13 0 "[ . 1 . 2]"
1 11 ASP 1.955 0.089 5 0 "[ . 1 . 2]"
1 12 ILE 1.432 0.083 7 0 "[ . 1 . 2]"
1 13 ASP 0.921 0.080 7 0 "[ . 1 . 2]"
1 14 THR 0.720 0.065 1 0 "[ . 1 . 2]"
1 15 ILE 2.008 0.077 19 0 "[ . 1 . 2]"
1 16 MET 3.524 0.088 20 0 "[ . 1 . 2]"
1 17 THR 2.412 0.082 16 0 "[ . 1 . 2]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LYS 1.577 0.088 20 0 "[ . 1 . 2]"
1 20 PRO 0.078 0.078 20 0 "[ . 1 . 2]"
1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 SER 1.539 0.091 9 0 "[ . 1 . 2]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ARG 2.187 0.103 7 0 "[ . 1 . 2]"
1 25 GLU 1.731 0.091 9 0 "[ . 1 . 2]"
1 26 LYS 0.105 0.066 7 0 "[ . 1 . 2]"
1 27 MET 2.026 0.097 9 0 "[ . 1 . 2]"
1 28 MET 1.831 0.097 9 0 "[ . 1 . 2]"
1 29 LYS 2.182 0.103 7 0 "[ . 1 . 2]"
1 30 ILE 1.438 0.083 7 0 "[ . 1 . 2]"
1 31 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 GLU 2.587 0.097 17 0 "[ . 1 . 2]"
1 33 ILE 2.414 0.077 11 0 "[ . 1 . 2]"
1 34 ILE 2.863 0.087 6 0 "[ . 1 . 2]"
1 35 ASP 3.806 0.087 6 0 "[ . 1 . 2]"
1 36 SER 2.924 0.087 19 0 "[ . 1 . 2]"
1 37 LEU 1.514 0.096 14 0 "[ . 1 . 2]"
1 38 ALA 0.097 0.054 5 0 "[ . 1 . 2]"
1 39 VAL 1.533 0.087 6 0 "[ . 1 . 2]"
1 40 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 SER 1.249 0.087 4 0 "[ . 1 . 2]"
1 42 GLU 0.907 0.094 4 0 "[ . 1 . 2]"
1 43 CYS 0.965 0.094 4 0 "[ . 1 . 2]"
1 44 ALA 0.147 0.060 18 0 "[ . 1 . 2]"
1 45 LYS 1.313 0.085 14 0 "[ . 1 . 2]"
1 46 VAL 0.143 0.058 17 0 "[ . 1 . 2]"
1 47 LYS 1.879 0.091 15 0 "[ . 1 . 2]"
1 48 ASP 3.521 0.096 14 0 "[ . 1 . 2]"
1 49 ILE 4.246 0.084 9 0 "[ . 1 . 2]"
1 50 LEU 0.379 0.056 4 0 "[ . 1 . 2]"
1 51 LYS 1.482 0.080 14 0 "[ . 1 . 2]"
1 52 GLU 1.577 0.075 17 0 "[ . 1 . 2]"
1 53 ALA 1.072 0.075 17 0 "[ . 1 . 2]"
1 54 GLN 0.628 0.077 6 0 "[ . 1 . 2]"
1 55 GLN 0.059 0.059 11 0 "[ . 1 . 2]"
1 56 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 GLY 0.223 0.068 7 0 "[ . 1 . 2]"
1 58 ILE 0.223 0.068 7 0 "[ . 1 . 2]"
1 59 GLU 1.747 0.090 5 0 "[ . 1 . 2]"
1 60 LYS 0.794 0.077 6 0 "[ . 1 . 2]"
1 61 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ASN 3.334 0.096 17 0 "[ . 1 . 2]"
1 63 ILE 1.701 0.091 9 0 "[ . 1 . 2]"
1 64 GLU 4.795 0.096 17 0 "[ . 1 . 2]"
1 65 LYS 1.548 0.088 6 0 "[ . 1 . 2]"
1 66 LEU 0.226 0.088 14 0 "[ . 1 . 2]"
1 67 LEU 0.099 0.066 14 0 "[ . 1 . 2]"
1 68 THR 0.278 0.066 14 0 "[ . 1 . 2]"
1 69 ASP 1.355 0.088 13 0 "[ . 1 . 2]"
1 70 MET 1.355 0.088 13 0 "[ . 1 . 2]"
1 71 ARG 5.322 0.088 16 0 "[ . 1 . 2]"
1 72 LYS 1.427 0.085 5 0 "[ . 1 . 2]"
1 73 SER 1.050 0.085 5 0 "[ . 1 . 2]"
1 74 GLY 1.696 0.086 10 0 "[ . 1 . 2]"
1 75 ILE 1.696 0.086 10 0 "[ . 1 . 2]"
1 76 ILE 2.744 0.084 18 0 "[ . 1 . 2]"
1 77 TYR 1.272 0.096 20 0 "[ . 1 . 2]"
1 78 GLU 4.021 0.092 9 0 "[ . 1 . 2]"
1 79 ALA 0.107 0.053 8 0 "[ . 1 . 2]"
1 80 LYS 0.583 0.075 16 0 "[ . 1 . 2]"
1 81 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 CYS 0.516 0.070 7 0 "[ . 1 . 2]"
1 84 TYR 0.271 0.067 5 0 "[ . 1 . 2]"
1 85 LYS 2.197 0.096 20 0 "[ . 1 . 2]"
1 86 LYS 1.570 0.083 12 0 "[ . 1 . 2]"
1 87 VAL 0.284 0.084 18 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 MET QB 1 5 GLY QA . . 6.960 3.812 3.531 4.268 . 0 0 "[ . 1 . 2]" 1
2 1 5 GLY H 1 6 GLU HA . . 5.200 4.766 4.207 5.256 0.056 17 0 "[ . 1 . 2]" 1
3 1 5 GLY QA 1 6 GLU HA . . 6.080 4.103 3.954 4.519 . 0 0 "[ . 1 . 2]" 1
4 1 5 GLY QA 1 6 GLU HB2 . . 6.080 4.744 3.882 5.513 . 0 0 "[ . 1 . 2]" 1
5 1 5 GLY QA 1 6 GLU HB3 . . 6.080 4.726 3.923 5.558 . 0 0 "[ . 1 . 2]" 1
6 1 6 GLU H 1 6 GLU QB . . 3.580 2.747 2.161 3.265 . 0 0 "[ . 1 . 2]" 1
7 1 8 GLY QA 1 9 LYS HA . . 6.080 4.030 3.823 4.535 . 0 0 "[ . 1 . 2]" 1
8 1 8 GLY QA 1 10 ILE H . . 6.080 3.930 3.109 5.518 . 0 0 "[ . 1 . 2]" 1
9 1 8 GLY QA 1 10 ILE HB . . 6.080 5.148 4.630 5.519 . 0 0 "[ . 1 . 2]" 1
10 1 9 LYS H 1 9 LYS HG2 . . 5.200 4.341 3.052 5.177 . 0 0 "[ . 1 . 2]" 1
11 1 9 LYS H 1 9 LYS HG3 . . 5.200 4.434 2.484 5.205 0.005 20 0 "[ . 1 . 2]" 1
12 1 9 LYS H 1 9 LYS QE . . 6.080 4.550 3.976 5.254 . 0 0 "[ . 1 . 2]" 1
13 1 9 LYS H 1 10 ILE H . . 4.300 3.062 1.779 4.359 0.059 8 0 "[ . 1 . 2]" 1
14 1 9 LYS H 1 10 ILE MD . . 5.320 3.622 2.594 4.341 . 0 0 "[ . 1 . 2]" 1
15 1 9 LYS HA 1 10 ILE H . . 3.300 2.798 2.158 3.364 0.064 14 0 "[ . 1 . 2]" 1
16 1 9 LYS QB 1 10 ILE MD . . 7.100 3.742 2.492 4.800 . 0 0 "[ . 1 . 2]" 1
17 1 9 LYS QE 1 10 ILE H . . 6.080 4.326 2.571 5.516 . 0 0 "[ . 1 . 2]" 1
18 1 9 LYS QE 1 10 ILE HA . . 6.080 4.421 3.043 5.487 . 0 0 "[ . 1 . 2]" 1
19 1 9 LYS QE 1 10 ILE MD . . 7.100 4.538 2.237 5.098 . 0 0 "[ . 1 . 2]" 1
20 1 9 LYS QG 1 10 ILE MD . . 8.400 4.638 2.612 5.978 . 0 0 "[ . 1 . 2]" 1
21 1 10 ILE H 1 10 ILE HB . . 3.300 2.611 2.058 3.412 0.112 13 0 "[ . 1 . 2]" 1
22 1 10 ILE H 1 10 ILE MD . . 5.320 2.953 2.121 3.549 . 0 0 "[ . 1 . 2]" 1
23 1 10 ILE H 1 10 ILE QG . . 4.180 3.410 2.256 3.888 . 0 0 "[ . 1 . 2]" 1
24 1 10 ILE H 1 11 ASP H . . 5.200 4.098 2.097 4.608 . 0 0 "[ . 1 . 2]" 1
25 1 10 ILE H 1 11 ASP HA . . 5.200 4.923 4.200 5.271 0.071 15 0 "[ . 1 . 2]" 1
26 1 10 ILE HA 1 10 ILE MG . . 3.720 2.541 2.283 3.159 . 0 0 "[ . 1 . 2]" 1
27 1 10 ILE HA 1 11 ASP H . . 3.300 2.373 2.075 3.353 0.053 10 0 "[ . 1 . 2]" 1
28 1 10 ILE HB 1 11 ASP H . . 4.300 4.074 3.584 4.389 0.089 5 0 "[ . 1 . 2]" 1
29 1 10 ILE MD 1 74 GLY QA . . 9.800 6.578 4.613 7.374 . 0 0 "[ . 1 . 2]" 1
30 1 10 ILE QG 1 11 ASP H . . 6.080 4.179 2.456 4.946 . 0 0 "[ . 1 . 2]" 1
31 1 10 ILE QG 1 74 GLY QA . . 9.660 7.127 5.156 7.640 . 0 0 "[ . 1 . 2]" 1
32 1 10 ILE MG 1 11 ASP H . . 5.320 2.661 1.963 3.719 . 0 0 "[ . 1 . 2]" 1
33 1 10 ILE MG 1 11 ASP HA . . 6.220 3.747 3.106 4.319 . 0 0 "[ . 1 . 2]" 1
34 1 10 ILE MG 1 12 ILE H . . 6.220 4.897 4.598 5.110 . 0 0 "[ . 1 . 2]" 1
35 1 10 ILE MG 1 12 ILE HA . . 6.220 4.521 4.126 5.136 . 0 0 "[ . 1 . 2]" 1
36 1 10 ILE MG 1 14 THR HB . . 7.520 5.102 4.045 6.238 . 0 0 "[ . 1 . 2]" 1
37 1 11 ASP H 1 12 ILE H . . 5.200 4.352 4.107 4.629 . 0 0 "[ . 1 . 2]" 1
38 1 11 ASP H 1 13 ASP H . . 5.200 5.120 4.655 5.269 0.069 18 0 "[ . 1 . 2]" 1
39 1 11 ASP H 1 14 THR H . . 5.200 4.218 3.780 4.741 . 0 0 "[ . 1 . 2]" 1
40 1 11 ASP H 1 14 THR HB . . 5.200 3.570 2.735 4.145 . 0 0 "[ . 1 . 2]" 1
41 1 11 ASP H 1 14 THR MG . . 6.220 2.174 1.720 2.636 . 0 0 "[ . 1 . 2]" 1
42 1 11 ASP H 1 15 ILE MD . . 6.220 4.186 3.458 4.940 . 0 0 "[ . 1 . 2]" 1
43 1 11 ASP HA 1 12 ILE H . . 3.300 2.486 2.245 2.641 . 0 0 "[ . 1 . 2]" 1
44 1 11 ASP HA 1 12 ILE HB . . 5.200 4.877 4.639 5.152 . 0 0 "[ . 1 . 2]" 1
45 1 11 ASP HA 1 12 ILE MG . . 6.720 5.641 5.322 5.704 . 0 0 "[ . 1 . 2]" 1
46 1 11 ASP HA 1 13 ASP H . . 4.300 4.169 3.953 4.380 0.080 7 0 "[ . 1 . 2]" 1
47 1 11 ASP HA 1 14 THR HB . . 5.700 5.158 4.092 5.755 0.055 1 0 "[ . 1 . 2]" 1
48 1 11 ASP HA 1 14 THR MG . . 6.220 4.136 3.892 4.585 . 0 0 "[ . 1 . 2]" 1
49 1 11 ASP HB2 1 12 ILE H . . 3.300 3.131 2.432 3.383 0.083 7 0 "[ . 1 . 2]" 1
50 1 11 ASP HB2 1 14 THR MG . . 5.320 2.915 2.337 4.342 . 0 0 "[ . 1 . 2]" 1
51 1 11 ASP HB3 1 12 ILE H . . 3.300 2.365 1.907 3.149 . 0 0 "[ . 1 . 2]" 1
52 1 11 ASP HB3 1 14 THR MG . . 5.320 3.983 2.874 4.428 . 0 0 "[ . 1 . 2]" 1
53 1 12 ILE H 1 12 ILE HB . . 3.300 2.452 2.265 2.660 . 0 0 "[ . 1 . 2]" 1
54 1 12 ILE H 1 12 ILE HG12 . . 4.300 3.734 2.288 4.153 . 0 0 "[ . 1 . 2]" 1
55 1 12 ILE H 1 12 ILE HG13 . . 4.300 3.274 2.441 3.971 . 0 0 "[ . 1 . 2]" 1
56 1 12 ILE H 1 12 ILE MD . . 3.720 2.649 2.045 3.005 . 0 0 "[ . 1 . 2]" 1
57 1 12 ILE H 1 13 ASP HA . . 5.200 4.872 4.652 5.273 0.073 10 0 "[ . 1 . 2]" 1
58 1 12 ILE H 1 14 THR MG . . 6.220 4.427 3.997 4.748 . 0 0 "[ . 1 . 2]" 1
59 1 12 ILE H 1 15 ILE H . . 5.200 5.208 5.056 5.272 0.072 17 0 "[ . 1 . 2]" 1
60 1 12 ILE H 1 28 MET ME . . 8.920 5.605 4.498 6.666 . 0 0 "[ . 1 . 2]" 1
61 1 12 ILE HA 1 12 ILE MG . . 3.720 2.437 2.235 2.561 . 0 0 "[ . 1 . 2]" 1
62 1 12 ILE HA 1 13 ASP QB . . 6.080 5.361 5.182 5.447 . 0 0 "[ . 1 . 2]" 1
63 1 12 ILE HA 1 14 THR H . . 5.200 4.597 4.351 4.997 . 0 0 "[ . 1 . 2]" 1
64 1 12 ILE HA 1 15 ILE H . . 4.300 3.887 3.576 4.167 . 0 0 "[ . 1 . 2]" 1
65 1 12 ILE HA 1 16 MET H . . 5.200 4.292 4.107 4.449 . 0 0 "[ . 1 . 2]" 1
66 1 12 ILE HA 1 16 MET QG . . 6.080 4.404 3.657 4.705 . 0 0 "[ . 1 . 2]" 1
67 1 12 ILE HB 1 12 ILE MD . . 3.720 2.470 2.204 3.240 . 0 0 "[ . 1 . 2]" 1
68 1 12 ILE HB 1 13 ASP H . . 4.300 2.684 2.405 3.045 . 0 0 "[ . 1 . 2]" 1
69 1 12 ILE HB 1 13 ASP HA . . 5.200 4.162 3.792 4.349 . 0 0 "[ . 1 . 2]" 1
70 1 12 ILE HB 1 14 THR H . . 5.200 5.192 5.036 5.265 0.065 1 0 "[ . 1 . 2]" 1
71 1 12 ILE MD 1 13 ASP H . . 5.320 4.080 3.597 4.417 . 0 0 "[ . 1 . 2]" 1
72 1 12 ILE MD 1 28 MET QB . . 9.300 5.589 3.702 6.880 . 0 0 "[ . 1 . 2]" 1
73 1 12 ILE MD 1 28 MET ME . . 8.540 3.165 2.152 4.666 . 0 0 "[ . 1 . 2]" 1
74 1 12 ILE QG 1 13 ASP H . . 6.080 4.238 3.628 4.546 . 0 0 "[ . 1 . 2]" 1
75 1 12 ILE QG 1 16 MET QG . . 7.460 5.019 4.080 5.485 . 0 0 "[ . 1 . 2]" 1
76 1 12 ILE QG 1 28 MET ME . . 8.400 2.766 2.062 4.107 . 0 0 "[ . 1 . 2]" 1
77 1 12 ILE MG 1 13 ASP H . . 5.320 3.524 3.037 3.796 . 0 0 "[ . 1 . 2]" 1
78 1 12 ILE MG 1 13 ASP HA . . 5.320 3.474 3.043 3.951 . 0 0 "[ . 1 . 2]" 1
79 1 12 ILE MG 1 13 ASP QB . . 7.100 4.520 3.831 5.129 . 0 0 "[ . 1 . 2]" 1
80 1 12 ILE MG 1 14 THR H . . 6.220 5.117 4.973 5.159 . 0 0 "[ . 1 . 2]" 1
81 1 12 ILE MG 1 15 ILE H . . 6.220 4.428 4.284 4.767 . 0 0 "[ . 1 . 2]" 1
82 1 12 ILE MG 1 16 MET H . . 5.320 3.636 3.455 3.837 . 0 0 "[ . 1 . 2]" 1
83 1 12 ILE MG 1 16 MET HA . . 6.720 5.086 4.699 5.461 . 0 0 "[ . 1 . 2]" 1
84 1 12 ILE MG 1 16 MET HB2 . . 6.220 4.163 2.942 4.726 . 0 0 "[ . 1 . 2]" 1
85 1 12 ILE MG 1 16 MET HB3 . . 6.220 3.458 2.841 4.717 . 0 0 "[ . 1 . 2]" 1
86 1 12 ILE MG 1 17 THR HB . . 8.920 6.659 5.702 7.316 . 0 0 "[ . 1 . 2]" 1
87 1 12 ILE MG 1 24 ARG QB . . 7.100 3.266 2.388 4.338 . 0 0 "[ . 1 . 2]" 1
88 1 12 ILE MG 1 24 ARG QD . . 8.400 2.523 1.968 4.211 . 0 0 "[ . 1 . 2]" 1
89 1 12 ILE MG 1 28 MET ME . . 7.240 3.190 2.201 4.689 . 0 0 "[ . 1 . 2]" 1
90 1 13 ASP H 1 14 THR H . . 4.300 2.691 2.329 2.947 . 0 0 "[ . 1 . 2]" 1
91 1 13 ASP H 1 14 THR MG . . 5.320 4.245 4.084 4.403 . 0 0 "[ . 1 . 2]" 1
92 1 13 ASP H 1 15 ILE H . . 5.200 4.084 3.802 4.275 . 0 0 "[ . 1 . 2]" 1
93 1 13 ASP H 1 28 MET ME . . 8.920 6.588 5.870 7.481 . 0 0 "[ . 1 . 2]" 1
94 1 13 ASP HA 1 15 ILE H . . 5.200 3.788 3.533 3.947 . 0 0 "[ . 1 . 2]" 1
95 1 13 ASP HA 1 16 MET H . . 5.200 3.455 2.955 3.724 . 0 0 "[ . 1 . 2]" 1
96 1 13 ASP HA 1 17 THR MG . . 6.220 4.585 4.200 4.797 . 0 0 "[ . 1 . 2]" 1
97 1 13 ASP QB 1 14 THR H . . 5.180 2.594 2.301 3.304 . 0 0 "[ . 1 . 2]" 1
98 1 13 ASP QB 1 14 THR MG . . 7.100 4.596 4.157 5.319 . 0 0 "[ . 1 . 2]" 1
99 1 13 ASP QB 1 15 ILE H . . 6.080 4.517 4.367 4.818 . 0 0 "[ . 1 . 2]" 1
100 1 13 ASP QB 1 17 THR HB . . 6.080 4.108 3.785 4.839 . 0 0 "[ . 1 . 2]" 1
101 1 13 ASP QB 1 17 THR MG . . 7.100 4.413 4.178 4.716 . 0 0 "[ . 1 . 2]" 1
102 1 14 THR H 1 15 ILE MD . . 6.220 4.772 4.342 5.213 . 0 0 "[ . 1 . 2]" 1
103 1 14 THR H 1 16 MET H . . 5.200 4.544 4.326 4.754 . 0 0 "[ . 1 . 2]" 1
104 1 14 THR HA 1 16 MET H . . 5.200 5.073 4.867 5.260 0.060 19 0 "[ . 1 . 2]" 1
105 1 14 THR HB 1 15 ILE H . . 4.300 3.962 3.373 4.278 . 0 0 "[ . 1 . 2]" 1
106 1 14 THR HB 1 15 ILE MD . . 6.220 4.951 4.425 5.163 . 0 0 "[ . 1 . 2]" 1
107 1 14 THR MG 1 15 ILE H . . 3.720 2.761 2.463 2.958 . 0 0 "[ . 1 . 2]" 1
108 1 14 THR MG 1 15 ILE MD . . 4.740 2.647 2.089 3.122 . 0 0 "[ . 1 . 2]" 1
109 1 14 THR MG 1 16 MET H . . 7.520 4.682 4.437 4.886 . 0 0 "[ . 1 . 2]" 1
110 1 14 THR MG 1 16 MET QG . . 8.400 5.565 5.231 6.091 . 0 0 "[ . 1 . 2]" 1
111 1 15 ILE H 1 15 ILE HG12 . . 4.300 3.459 2.260 4.231 . 0 0 "[ . 1 . 2]" 1
112 1 15 ILE H 1 15 ILE HG13 . . 4.300 3.115 2.211 3.943 . 0 0 "[ . 1 . 2]" 1
113 1 15 ILE H 1 15 ILE MD . . 5.320 3.353 3.175 3.773 . 0 0 "[ . 1 . 2]" 1
114 1 15 ILE H 1 16 MET H . . 4.300 2.265 2.064 2.539 . 0 0 "[ . 1 . 2]" 1
115 1 15 ILE H 1 16 MET QG . . 5.180 3.743 3.455 4.337 . 0 0 "[ . 1 . 2]" 1
116 1 15 ILE H 1 17 THR H . . 4.300 3.500 3.289 3.719 . 0 0 "[ . 1 . 2]" 1
117 1 15 ILE H 1 17 THR HB . . 5.200 5.063 4.799 5.248 0.048 2 0 "[ . 1 . 2]" 1
118 1 15 ILE H 1 17 THR MG . . 5.320 3.800 3.637 4.034 . 0 0 "[ . 1 . 2]" 1
119 1 15 ILE HA 1 16 MET HA . . 5.200 4.686 4.431 4.889 . 0 0 "[ . 1 . 2]" 1
120 1 15 ILE HA 1 17 THR H . . 4.300 4.315 4.098 4.377 0.077 19 0 "[ . 1 . 2]" 1
121 1 15 ILE HA 1 17 THR MG . . 5.320 3.955 3.605 4.194 . 0 0 "[ . 1 . 2]" 1
122 1 15 ILE HB 1 15 ILE MD . . 3.720 2.600 2.203 3.235 . 0 0 "[ . 1 . 2]" 1
123 1 15 ILE HB 1 16 MET H . . 4.300 2.383 2.078 2.742 . 0 0 "[ . 1 . 2]" 1
124 1 15 ILE HB 1 16 MET HA . . 5.200 4.234 3.962 4.594 . 0 0 "[ . 1 . 2]" 1
125 1 15 ILE HB 1 16 MET HG2 . . 5.200 4.825 3.034 5.261 0.061 11 0 "[ . 1 . 2]" 1
126 1 15 ILE HB 1 16 MET HG3 . . 5.200 4.373 3.854 5.247 0.047 5 0 "[ . 1 . 2]" 1
127 1 15 ILE HB 1 16 MET ME . . 8.420 6.027 4.789 6.552 . 0 0 "[ . 1 . 2]" 1
128 1 15 ILE HB 1 16 MET QG . . 6.080 3.954 2.950 4.310 . 0 0 "[ . 1 . 2]" 1
129 1 15 ILE MD 1 16 MET H . . 5.320 4.284 3.992 4.498 . 0 0 "[ . 1 . 2]" 1
130 1 15 ILE MD 1 16 MET HA . . 7.520 5.848 5.627 6.084 . 0 0 "[ . 1 . 2]" 1
131 1 15 ILE MD 1 16 MET QG . . 8.400 5.287 4.681 5.947 . 0 0 "[ . 1 . 2]" 1
132 1 15 ILE MG 1 17 THR MG . . 8.540 5.170 5.005 5.294 . 0 0 "[ . 1 . 2]" 1
133 1 16 MET H 1 16 MET HG2 . . 4.300 3.231 2.134 3.625 . 0 0 "[ . 1 . 2]" 1
134 1 16 MET H 1 16 MET HG3 . . 4.300 2.404 2.007 3.713 . 0 0 "[ . 1 . 2]" 1
135 1 16 MET H 1 16 MET ME . . 6.220 4.350 3.623 4.794 . 0 0 "[ . 1 . 2]" 1
136 1 16 MET H 1 17 THR H . . 5.200 2.717 2.593 2.769 . 0 0 "[ . 1 . 2]" 1
137 1 16 MET H 1 17 THR HA . . 5.200 5.273 5.260 5.282 0.082 16 0 "[ . 1 . 2]" 1
138 1 16 MET H 1 17 THR MG . . 5.320 4.186 4.113 4.251 . 0 0 "[ . 1 . 2]" 1
139 1 16 MET HA 1 16 MET ME . . 6.220 4.317 2.199 5.216 . 0 0 "[ . 1 . 2]" 1
140 1 16 MET HA 1 17 THR MG . . 6.720 4.996 4.834 5.154 . 0 0 "[ . 1 . 2]" 1
141 1 16 MET HA 1 18 GLY H . . 4.300 3.583 3.231 3.822 . 0 0 "[ . 1 . 2]" 1
142 1 16 MET HA 1 19 LYS H . . 5.200 2.801 2.540 3.000 . 0 0 "[ . 1 . 2]" 1
143 1 16 MET HA 1 19 LYS HB2 . . 4.300 3.317 2.902 4.388 0.088 20 0 "[ . 1 . 2]" 1
144 1 16 MET HA 1 19 LYS HB3 . . 4.300 4.363 4.154 4.385 0.085 15 0 "[ . 1 . 2]" 1
145 1 16 MET HA 1 19 LYS QD . . 6.080 4.875 3.919 5.310 . 0 0 "[ . 1 . 2]" 1
146 1 16 MET HA 1 19 LYS QG . . 6.580 5.010 1.948 5.495 . 0 0 "[ . 1 . 2]" 1
147 1 16 MET HA 1 20 PRO QG . . 8.290 6.369 6.124 6.829 . 0 0 "[ . 1 . 2]" 1
148 1 16 MET HB2 1 24 ARG QD . . 6.080 3.897 2.342 5.505 . 0 0 "[ . 1 . 2]" 1
149 1 16 MET HB3 1 24 ARG QD . . 6.080 3.289 2.197 5.418 . 0 0 "[ . 1 . 2]" 1
150 1 16 MET ME 1 17 THR H . . 6.220 3.932 2.917 5.050 . 0 0 "[ . 1 . 2]" 1
151 1 16 MET QG 1 24 ARG QD . . 6.960 3.326 1.991 5.123 . 0 0 "[ . 1 . 2]" 1
152 1 17 THR HA 1 19 LYS H . . 5.200 4.644 4.450 5.024 . 0 0 "[ . 1 . 2]" 1
153 1 17 THR HB 1 18 GLY H . . 5.200 4.173 4.013 4.355 . 0 0 "[ . 1 . 2]" 1
154 1 17 THR MG 1 18 GLY H . . 4.320 2.677 2.373 2.978 . 0 0 "[ . 1 . 2]" 1
155 1 17 THR MG 1 18 GLY QA . . 6.200 3.216 2.924 3.408 . 0 0 "[ . 1 . 2]" 1
156 1 17 THR MG 1 19 LYS H . . 6.220 4.361 4.113 4.656 . 0 0 "[ . 1 . 2]" 1
157 1 17 THR MG 1 19 LYS QE . . 9.300 5.635 3.864 6.754 . 0 0 "[ . 1 . 2]" 1
158 1 18 GLY H 1 19 LYS H . . 5.200 2.006 1.774 2.328 . 0 0 "[ . 1 . 2]" 1
159 1 18 GLY H 1 19 LYS HA . . 5.200 4.745 4.554 5.018 . 0 0 "[ . 1 . 2]" 1
160 1 18 GLY QA 1 19 LYS HA . . 6.080 4.094 3.968 4.122 . 0 0 "[ . 1 . 2]" 1
161 1 18 GLY QA 1 19 LYS QD . . 6.960 4.085 2.978 5.532 . 0 0 "[ . 1 . 2]" 1
162 1 18 GLY QA 1 19 LYS QE . . 6.960 4.459 3.299 5.370 . 0 0 "[ . 1 . 2]" 1
163 1 18 GLY QA 1 19 LYS QG . . 6.960 4.182 3.379 4.825 . 0 0 "[ . 1 . 2]" 1
164 1 18 GLY QA 1 20 PRO QG . . 9.170 7.135 6.995 7.207 . 0 0 "[ . 1 . 2]" 1
165 1 19 LYS H 1 20 PRO HA . . 5.200 5.021 4.895 5.278 0.078 20 0 "[ . 1 . 2]" 1
166 1 19 LYS H 1 20 PRO QD . . 5.190 4.413 4.372 4.505 . 0 0 "[ . 1 . 2]" 1
167 1 19 LYS H 1 20 PRO QG . . 7.390 6.043 5.909 6.261 . 0 0 "[ . 1 . 2]" 1
168 1 19 LYS HB2 1 20 PRO HD2 . . 5.200 3.757 2.195 3.971 . 0 0 "[ . 1 . 2]" 1
169 1 19 LYS HB2 1 20 PRO HD3 . . 5.200 4.833 3.470 5.060 . 0 0 "[ . 1 . 2]" 1
170 1 19 LYS HB2 1 20 PRO QD . . 5.190 3.632 2.172 3.835 . 0 0 "[ . 1 . 2]" 1
171 1 19 LYS HB3 1 20 PRO HD2 . . 5.200 2.354 2.208 3.470 . 0 0 "[ . 1 . 2]" 1
172 1 19 LYS HB3 1 20 PRO HD3 . . 5.200 3.744 3.578 4.221 . 0 0 "[ . 1 . 2]" 1
173 1 19 LYS HB3 1 20 PRO QD . . 5.190 2.327 2.188 3.318 . 0 0 "[ . 1 . 2]" 1
174 1 19 LYS QD 1 20 PRO HD2 . . 6.080 4.406 3.828 4.891 . 0 0 "[ . 1 . 2]" 1
175 1 19 LYS QD 1 20 PRO HD3 . . 6.080 5.374 5.117 5.520 . 0 0 "[ . 1 . 2]" 1
176 1 19 LYS QG 1 20 PRO QD . . 6.970 3.006 2.385 3.802 . 0 0 "[ . 1 . 2]" 1
177 1 20 PRO HA 1 24 ARG QD . . 8.280 6.851 6.323 7.131 . 0 0 "[ . 1 . 2]" 1
178 1 20 PRO QB 1 23 ALA MB . . 7.600 4.330 3.902 5.073 . 0 0 "[ . 1 . 2]" 1
179 1 20 PRO QB 1 24 ARG QD . . 9.170 7.098 6.965 7.204 . 0 0 "[ . 1 . 2]" 1
180 1 20 PRO QG 1 23 ALA MB . . 6.210 2.910 2.210 4.296 . 0 0 "[ . 1 . 2]" 1
181 1 21 LYS H 1 21 LYS QD . . 6.080 3.800 1.878 4.739 . 0 0 "[ . 1 . 2]" 1
182 1 21 LYS H 1 23 ALA MB . . 6.720 5.138 4.853 5.301 . 0 0 "[ . 1 . 2]" 1
183 1 21 LYS HA 1 21 LYS QE . . 6.080 4.645 3.915 5.464 . 0 0 "[ . 1 . 2]" 1
184 1 21 LYS HA 1 24 ARG H . . 5.200 3.699 3.259 4.101 . 0 0 "[ . 1 . 2]" 1
185 1 21 LYS HA 1 24 ARG QD . . 5.180 3.313 2.862 3.794 . 0 0 "[ . 1 . 2]" 1
186 1 21 LYS HA 1 25 GLU H . . 5.200 4.154 3.929 4.390 . 0 0 "[ . 1 . 2]" 1
187 1 21 LYS QB 1 22 SER H . . 6.080 3.122 2.355 3.746 . 0 0 "[ . 1 . 2]" 1
188 1 21 LYS QB 1 22 SER HA . . 6.080 4.349 3.749 4.916 . 0 0 "[ . 1 . 2]" 1
189 1 22 SER H 1 24 ARG H . . 5.200 4.988 4.763 5.194 . 0 0 "[ . 1 . 2]" 1
190 1 22 SER H 1 25 GLU H . . 5.200 4.573 4.472 4.717 . 0 0 "[ . 1 . 2]" 1
191 1 22 SER H 1 25 GLU HB2 . . 5.200 4.239 3.752 5.220 0.020 12 0 "[ . 1 . 2]" 1
192 1 22 SER H 1 25 GLU HB3 . . 5.200 4.831 4.231 5.287 0.087 16 0 "[ . 1 . 2]" 1
193 1 22 SER HA 1 23 ALA MB . . 6.220 5.052 4.914 5.118 . 0 0 "[ . 1 . 2]" 1
194 1 22 SER HA 1 24 ARG H . . 5.200 4.934 4.427 5.264 0.064 14 0 "[ . 1 . 2]" 1
195 1 22 SER HA 1 25 GLU H . . 5.200 3.277 2.785 3.577 . 0 0 "[ . 1 . 2]" 1
196 1 22 SER HA 1 25 GLU HB2 . . 5.200 2.353 1.952 3.417 . 0 0 "[ . 1 . 2]" 1
197 1 22 SER HA 1 25 GLU HB3 . . 5.200 2.328 1.943 3.408 . 0 0 "[ . 1 . 2]" 1
198 1 22 SER HA 1 25 GLU HG2 . . 4.300 3.607 3.198 4.357 0.057 10 0 "[ . 1 . 2]" 1
199 1 22 SER HA 1 25 GLU HG3 . . 4.300 4.229 3.029 4.391 0.091 9 0 "[ . 1 . 2]" 1
200 1 22 SER HA 1 25 GLU QB . . 5.180 1.955 1.826 2.062 . 0 0 "[ . 1 . 2]" 1
201 1 22 SER HA 1 25 GLU QG . . 4.180 3.350 2.955 3.851 . 0 0 "[ . 1 . 2]" 1
202 1 22 SER HA 1 26 LYS H . . 5.200 3.934 3.763 4.136 . 0 0 "[ . 1 . 2]" 1
203 1 23 ALA H 1 24 ARG H . . 4.300 2.873 2.664 3.169 . 0 0 "[ . 1 . 2]" 1
204 1 23 ALA H 1 24 ARG QD . . 6.580 5.766 5.472 5.968 . 0 0 "[ . 1 . 2]" 1
205 1 23 ALA HA 1 26 LYS H . . 5.200 3.803 3.604 3.978 . 0 0 "[ . 1 . 2]" 1
206 1 23 ALA HA 1 26 LYS QD . . 5.180 3.889 3.107 4.685 . 0 0 "[ . 1 . 2]" 1
207 1 23 ALA HA 1 26 LYS QE . . 6.080 4.188 2.378 5.435 . 0 0 "[ . 1 . 2]" 1
208 1 23 ALA HA 1 26 LYS QG . . 6.080 3.797 2.496 4.685 . 0 0 "[ . 1 . 2]" 1
209 1 23 ALA HA 1 27 MET H . . 5.200 4.023 3.840 4.345 . 0 0 "[ . 1 . 2]" 1
210 1 23 ALA HA 1 66 LEU QD . . 7.300 4.392 3.021 5.318 . 0 0 "[ . 1 . 2]" 1
211 1 23 ALA MB 1 24 ARG H . . 5.320 2.198 2.010 2.373 . 0 0 "[ . 1 . 2]" 1
212 1 23 ALA MB 1 24 ARG HA . . 5.320 3.953 3.880 4.023 . 0 0 "[ . 1 . 2]" 1
213 1 23 ALA MB 1 24 ARG QD . . 7.100 5.018 4.629 5.172 . 0 0 "[ . 1 . 2]" 1
214 1 23 ALA MB 1 27 MET H . . 6.220 4.629 4.492 4.910 . 0 0 "[ . 1 . 2]" 1
215 1 23 ALA MB 1 27 MET QG . . 7.100 3.766 3.033 4.279 . 0 0 "[ . 1 . 2]" 1
216 1 23 ALA MB 1 66 LEU QD . . 9.620 4.678 3.461 5.709 . 0 0 "[ . 1 . 2]" 1
217 1 24 ARG H 1 24 ARG QD . . 6.080 3.884 3.625 4.058 . 0 0 "[ . 1 . 2]" 1
218 1 24 ARG H 1 27 MET H . . 5.200 4.704 4.573 4.865 . 0 0 "[ . 1 . 2]" 1
219 1 15 ILE MD 1 24 ARG H . . 8.920 5.946 4.525 7.346 . 0 0 "[ . 1 . 2]" 1
220 1 24 ARG HA 1 26 LYS H . . 4.300 4.090 3.948 4.339 0.039 7 0 "[ . 1 . 2]" 1
221 1 24 ARG HA 1 27 MET H . . 4.300 3.189 2.934 3.454 . 0 0 "[ . 1 . 2]" 1
222 1 24 ARG HA 1 27 MET HG2 . . 5.200 4.847 1.936 5.286 0.086 17 0 "[ . 1 . 2]" 1
223 1 24 ARG HA 1 27 MET HG3 . . 5.200 4.044 3.303 4.704 . 0 0 "[ . 1 . 2]" 1
224 1 24 ARG HA 1 27 MET QB . . 6.080 2.343 2.011 3.473 . 0 0 "[ . 1 . 2]" 1
225 1 24 ARG HA 1 27 MET QG . . 6.080 3.759 1.928 4.131 . 0 0 "[ . 1 . 2]" 1
226 1 24 ARG HA 1 28 MET H . . 4.300 2.824 2.438 3.046 . 0 0 "[ . 1 . 2]" 1
227 1 24 ARG HA 1 28 MET HG2 . . 5.200 3.076 2.310 4.227 . 0 0 "[ . 1 . 2]" 1
228 1 24 ARG HA 1 28 MET HG3 . . 5.200 4.162 3.601 5.280 0.080 18 0 "[ . 1 . 2]" 1
229 1 24 ARG HA 1 28 MET QG . . 5.180 2.968 2.288 3.944 . 0 0 "[ . 1 . 2]" 1
230 1 24 ARG HA 1 29 LYS H . . 5.200 5.251 4.808 5.303 0.103 7 0 "[ . 1 . 2]" 1
231 1 24 ARG HG2 1 25 GLU HA . . 5.200 4.379 2.975 5.279 0.079 4 0 "[ . 1 . 2]" 1
232 1 24 ARG HG2 1 28 MET QG . . 6.080 4.350 3.619 4.646 . 0 0 "[ . 1 . 2]" 1
233 1 24 ARG HG3 1 25 GLU HA . . 5.200 3.429 3.140 3.632 . 0 0 "[ . 1 . 2]" 1
234 1 24 ARG HG3 1 28 MET QG . . 6.080 3.223 2.335 3.933 . 0 0 "[ . 1 . 2]" 1
235 1 24 ARG QB 1 25 GLU H . . 5.180 3.548 3.326 3.656 . 0 0 "[ . 1 . 2]" 1
236 1 24 ARG QD 1 25 GLU H . . 5.180 4.266 3.857 4.511 . 0 0 "[ . 1 . 2]" 1
237 1 24 ARG QD 1 28 MET ME . . 6.200 3.681 3.093 4.277 . 0 0 "[ . 1 . 2]" 1
238 1 24 ARG QD 1 28 MET QG . . 6.960 3.909 3.192 4.408 . 0 0 "[ . 1 . 2]" 1
239 1 25 GLU H 1 25 GLU QB . . 3.580 2.125 1.936 2.382 . 0 0 "[ . 1 . 2]" 1
240 1 25 GLU H 1 26 LYS H . . 3.300 2.838 2.606 2.985 . 0 0 "[ . 1 . 2]" 1
241 1 25 GLU H 1 27 MET H . . 5.200 4.315 4.034 4.497 . 0 0 "[ . 1 . 2]" 1
242 1 25 GLU H 1 27 MET QG . . 6.580 5.632 5.154 5.881 . 0 0 "[ . 1 . 2]" 1
243 1 25 GLU HA 1 28 MET HG2 . . 5.200 4.221 2.818 5.073 . 0 0 "[ . 1 . 2]" 1
244 1 25 GLU HA 1 28 MET HG3 . . 5.200 4.207 2.814 5.243 0.043 1 0 "[ . 1 . 2]" 1
245 1 25 GLU HA 1 28 MET QB . . 5.180 3.881 2.733 4.566 . 0 0 "[ . 1 . 2]" 1
246 1 25 GLU HA 1 28 MET QG . . 5.180 3.728 2.522 4.591 . 0 0 "[ . 1 . 2]" 1
247 1 25 GLU HB2 1 26 LYS H . . 5.200 3.697 3.031 4.359 . 0 0 "[ . 1 . 2]" 1
248 1 25 GLU HB3 1 26 LYS H . . 5.200 3.097 2.545 4.051 . 0 0 "[ . 1 . 2]" 1
249 1 25 GLU QB 1 26 LYS H . . 5.180 2.868 2.510 3.120 . 0 0 "[ . 1 . 2]" 1
250 1 25 GLU QG 1 26 LYS H . . 5.180 4.283 3.668 4.732 . 0 0 "[ . 1 . 2]" 1
251 1 26 LYS H 1 26 LYS QD . . 6.080 3.918 3.202 4.385 . 0 0 "[ . 1 . 2]" 1
252 1 26 LYS H 1 26 LYS QE . . 6.080 4.469 3.318 5.151 . 0 0 "[ . 1 . 2]" 1
253 1 26 LYS H 1 26 LYS QG . . 3.580 2.475 2.100 2.861 . 0 0 "[ . 1 . 2]" 1
254 1 26 LYS H 1 27 MET H . . 2.700 2.431 2.261 2.766 0.066 7 0 "[ . 1 . 2]" 1
255 1 26 LYS H 1 27 MET QG . . 6.080 4.237 4.008 5.130 . 0 0 "[ . 1 . 2]" 1
256 1 26 LYS H 1 28 MET QB . . 6.080 5.192 5.142 5.293 . 0 0 "[ . 1 . 2]" 1
257 1 26 LYS H 1 58 ILE MD . . 8.920 5.080 3.901 5.531 . 0 0 "[ . 1 . 2]" 1
258 1 26 LYS H 1 66 LEU QD . . 7.300 4.923 4.111 5.387 . 0 0 "[ . 1 . 2]" 1
259 1 26 LYS HA 1 29 LYS H . . 5.200 3.621 3.171 3.984 . 0 0 "[ . 1 . 2]" 1
260 1 26 LYS HA 1 29 LYS QB . . 6.080 2.834 2.312 3.492 . 0 0 "[ . 1 . 2]" 1
261 1 26 LYS HA 1 29 LYS QG . . 5.180 3.749 2.727 4.637 . 0 0 "[ . 1 . 2]" 1
262 1 26 LYS HA 1 56 VAL QG . . 8.600 4.401 3.830 5.291 . 0 0 "[ . 1 . 2]" 1
263 1 26 LYS HA 1 58 ILE MD . . 6.220 2.922 2.248 3.761 . 0 0 "[ . 1 . 2]" 1
264 1 26 LYS HA 1 58 ILE QG . . 7.380 4.244 3.052 5.552 . 0 0 "[ . 1 . 2]" 1
265 1 26 LYS HB2 1 27 MET H . . 5.200 3.161 2.182 4.249 . 0 0 "[ . 1 . 2]" 1
266 1 26 LYS HB2 1 58 ILE MD . . 6.220 3.532 2.155 5.011 . 0 0 "[ . 1 . 2]" 1
267 1 26 LYS HB3 1 27 MET H . . 5.200 3.769 3.039 4.304 . 0 0 "[ . 1 . 2]" 1
268 1 26 LYS HB3 1 58 ILE MD . . 6.220 3.080 2.084 3.932 . 0 0 "[ . 1 . 2]" 1
269 1 26 LYS HG2 1 27 MET H . . 5.200 4.002 2.450 5.185 . 0 0 "[ . 1 . 2]" 1
270 1 26 LYS HG2 1 66 LEU MD1 . . 7.520 4.351 3.508 6.163 . 0 0 "[ . 1 . 2]" 1
271 1 26 LYS HG2 1 66 LEU MD2 . . 7.520 4.756 2.435 6.208 . 0 0 "[ . 1 . 2]" 1
272 1 26 LYS HG3 1 27 MET H . . 5.200 3.761 2.609 4.531 . 0 0 "[ . 1 . 2]" 1
273 1 26 LYS HG3 1 66 LEU MD1 . . 7.520 4.113 2.217 6.167 . 0 0 "[ . 1 . 2]" 1
274 1 26 LYS HG3 1 66 LEU MD2 . . 7.520 4.459 2.196 6.233 . 0 0 "[ . 1 . 2]" 1
275 1 26 LYS QB 1 26 LYS QE . . 4.460 2.915 2.031 3.699 . 0 0 "[ . 1 . 2]" 1
276 1 26 LYS QB 1 27 MET H . . 5.180 2.966 2.143 3.801 . 0 0 "[ . 1 . 2]" 1
277 1 26 LYS QB 1 58 ILE HA . . 8.280 5.909 4.176 7.068 . 0 0 "[ . 1 . 2]" 1
278 1 26 LYS QB 1 58 ILE MD . . 6.200 2.734 2.025 3.797 . 0 0 "[ . 1 . 2]" 1
279 1 26 LYS QB 1 58 ILE MG . . 7.100 3.697 2.291 4.277 . 0 0 "[ . 1 . 2]" 1
280 1 26 LYS QB 1 66 LEU QD . . 7.280 2.916 2.003 4.107 . 0 0 "[ . 1 . 2]" 1
281 1 26 LYS QD 1 27 MET H . . 5.180 4.521 4.287 4.738 . 0 0 "[ . 1 . 2]" 1
282 1 26 LYS QD 1 27 MET HA . . 7.380 5.683 4.890 6.281 . 0 0 "[ . 1 . 2]" 1
283 1 26 LYS QD 1 66 LEU QD . . 6.280 2.725 2.004 3.661 . 0 0 "[ . 1 . 2]" 1
284 1 26 LYS QE 1 58 ILE MD . . 7.100 4.157 2.687 5.141 . 0 0 "[ . 1 . 2]" 1
285 1 26 LYS QE 1 58 ILE MG . . 7.100 3.907 2.232 5.086 . 0 0 "[ . 1 . 2]" 1
286 1 26 LYS QE 1 66 LEU QD . . 7.280 3.055 1.948 4.504 . 0 0 "[ . 1 . 2]" 1
287 1 26 LYS QG 1 66 LEU QD . . 7.280 3.168 2.035 4.334 . 0 0 "[ . 1 . 2]" 1
288 1 27 MET H 1 27 MET HG2 . . 4.300 3.471 2.482 3.765 . 0 0 "[ . 1 . 2]" 1
289 1 27 MET H 1 27 MET HG3 . . 4.300 2.541 2.149 4.154 . 0 0 "[ . 1 . 2]" 1
290 1 27 MET H 1 28 MET H . . 4.300 2.694 2.617 2.769 . 0 0 "[ . 1 . 2]" 1
291 1 27 MET H 1 28 MET HA . . 5.200 5.279 5.249 5.297 0.097 9 0 "[ . 1 . 2]" 1
292 1 27 MET H 1 28 MET QB . . 6.080 4.659 4.455 4.895 . 0 0 "[ . 1 . 2]" 1
293 1 27 MET H 1 28 MET QG . . 6.080 4.438 4.199 4.911 . 0 0 "[ . 1 . 2]" 1
294 1 27 MET H 1 30 ILE H . . 5.200 4.725 4.427 4.840 . 0 0 "[ . 1 . 2]" 1
295 1 27 MET H 1 30 ILE MD . . 6.220 4.010 3.640 4.284 . 0 0 "[ . 1 . 2]" 1
296 1 27 MET H 1 58 ILE MD . . 8.920 5.518 4.838 6.355 . 0 0 "[ . 1 . 2]" 1
297 1 27 MET H 1 66 LEU QD . . 8.600 3.915 3.038 4.485 . 0 0 "[ . 1 . 2]" 1
298 1 27 MET HA 1 27 MET ME . . 5.320 3.879 2.202 4.311 . 0 0 "[ . 1 . 2]" 1
299 1 27 MET HA 1 30 ILE H . . 4.300 3.452 2.831 3.978 . 0 0 "[ . 1 . 2]" 1
300 1 27 MET HA 1 30 ILE HB . . 4.300 2.676 2.249 3.201 . 0 0 "[ . 1 . 2]" 1
301 1 27 MET HA 1 30 ILE MD . . 5.320 2.372 2.017 3.154 . 0 0 "[ . 1 . 2]" 1
302 1 27 MET HA 1 30 ILE MG . . 5.320 4.031 3.797 4.439 . 0 0 "[ . 1 . 2]" 1
303 1 27 MET HA 1 31 ILE H . . 5.200 3.984 3.756 4.224 . 0 0 "[ . 1 . 2]" 1
304 1 27 MET HA 1 31 ILE MD . . 7.520 6.099 5.868 6.287 . 0 0 "[ . 1 . 2]" 1
305 1 27 MET HA 1 66 LEU MD1 . . 6.220 3.754 2.352 5.275 . 0 0 "[ . 1 . 2]" 1
306 1 27 MET HA 1 66 LEU MD2 . . 6.220 4.106 2.315 5.239 . 0 0 "[ . 1 . 2]" 1
307 1 27 MET HA 1 66 LEU QD . . 6.400 3.204 2.079 4.085 . 0 0 "[ . 1 . 2]" 1
308 1 27 MET HB2 1 30 ILE MD . . 6.220 4.867 3.106 5.189 . 0 0 "[ . 1 . 2]" 1
309 1 27 MET HB3 1 30 ILE MD . . 6.220 4.529 3.591 5.051 . 0 0 "[ . 1 . 2]" 1
310 1 27 MET HG2 1 70 MET ME . . 5.320 2.613 2.067 3.774 . 0 0 "[ . 1 . 2]" 1
311 1 27 MET HG3 1 70 MET ME . . 5.320 3.636 2.016 4.347 . 0 0 "[ . 1 . 2]" 1
312 1 27 MET QB 1 28 MET H . . 5.180 2.587 2.178 3.675 . 0 0 "[ . 1 . 2]" 1
313 1 27 MET QB 1 66 LEU QD . . 8.180 3.871 2.110 4.932 . 0 0 "[ . 1 . 2]" 1
314 1 27 MET ME 1 28 MET H . . 7.520 5.273 4.470 6.064 . 0 0 "[ . 1 . 2]" 1
315 1 27 MET ME 1 28 MET HA . . 8.420 5.867 4.931 6.890 . 0 0 "[ . 1 . 2]" 1
316 1 27 MET ME 1 30 ILE H . . 8.420 6.586 5.000 6.967 . 0 0 "[ . 1 . 2]" 1
317 1 27 MET ME 1 30 ILE MD . . 8.540 4.659 2.487 5.393 . 0 0 "[ . 1 . 2]" 1
318 1 27 MET ME 1 30 ILE MG . . 9.440 5.340 4.255 6.082 . 0 0 "[ . 1 . 2]" 1
319 1 27 MET ME 1 31 ILE H . . 8.420 5.992 5.576 6.322 . 0 0 "[ . 1 . 2]" 1
320 1 27 MET ME 1 31 ILE HA . . 8.920 7.314 7.098 7.395 . 0 0 "[ . 1 . 2]" 1
321 1 27 MET ME 1 31 ILE MD . . 9.940 6.285 5.567 6.901 . 0 0 "[ . 1 . 2]" 1
322 1 27 MET ME 1 31 ILE MG . . 7.740 4.417 4.072 4.908 . 0 0 "[ . 1 . 2]" 1
323 1 27 MET ME 1 66 LEU QD . . 7.420 3.187 1.684 4.039 . 0 0 "[ . 1 . 2]" 1
324 1 27 MET ME 1 70 MET H . . 8.420 5.069 3.826 6.247 . 0 0 "[ . 1 . 2]" 1
325 1 27 MET ME 1 70 MET QB . . 8.400 4.696 2.877 5.942 . 0 0 "[ . 1 . 2]" 1
326 1 27 MET ME 1 70 MET QG . . 6.200 3.193 2.518 4.208 . 0 0 "[ . 1 . 2]" 1
327 1 27 MET ME 1 76 ILE MD . . 9.940 6.175 5.622 6.740 . 0 0 "[ . 1 . 2]" 1
328 1 27 MET QG 1 28 MET H . . 5.180 4.065 2.425 4.296 . 0 0 "[ . 1 . 2]" 1
329 1 27 MET QG 1 30 ILE MD . . 6.200 3.532 3.060 4.492 . 0 0 "[ . 1 . 2]" 1
330 1 27 MET QG 1 66 LEU QD . . 9.480 2.488 1.900 3.921 . 0 0 "[ . 1 . 2]" 1
331 1 27 MET QG 1 70 MET ME . . 4.600 2.444 2.000 3.488 . 0 0 "[ . 1 . 2]" 1
332 1 27 MET QG 1 70 MET QG . . 6.960 4.010 3.654 5.186 . 0 0 "[ . 1 . 2]" 1
333 1 27 MET QG 1 75 ILE MD . . 7.100 4.520 4.053 5.111 . 0 0 "[ . 1 . 2]" 1
334 1 28 MET H 1 28 MET HG2 . . 4.300 2.680 2.220 3.581 . 0 0 "[ . 1 . 2]" 1
335 1 28 MET H 1 28 MET HG3 . . 4.300 3.395 2.687 3.951 . 0 0 "[ . 1 . 2]" 1
336 1 28 MET H 1 28 MET QG . . 4.180 2.432 2.198 2.906 . 0 0 "[ . 1 . 2]" 1
337 1 28 MET H 1 29 LYS H . . 4.300 2.548 2.416 2.624 . 0 0 "[ . 1 . 2]" 1
338 1 28 MET H 1 29 LYS QB . . 6.080 4.600 4.202 4.843 . 0 0 "[ . 1 . 2]" 1
339 1 28 MET H 1 29 LYS QG . . 6.080 4.709 4.151 5.416 . 0 0 "[ . 1 . 2]" 1
340 1 28 MET H 1 30 ILE MD . . 7.520 5.113 4.672 5.610 . 0 0 "[ . 1 . 2]" 1
341 1 28 MET H 1 31 ILE MD . . 6.220 5.013 4.852 5.126 . 0 0 "[ . 1 . 2]" 1
342 1 28 MET H 1 66 LEU QD . . 8.600 5.578 4.641 6.183 . 0 0 "[ . 1 . 2]" 1
343 1 28 MET HA 1 28 MET ME . . 5.320 4.058 3.637 4.236 . 0 0 "[ . 1 . 2]" 1
344 1 28 MET HA 1 31 ILE H . . 5.200 3.677 3.464 4.002 . 0 0 "[ . 1 . 2]" 1
345 1 28 MET HA 1 31 ILE MD . . 5.320 2.554 2.394 2.714 . 0 0 "[ . 1 . 2]" 1
346 1 28 MET HG2 1 29 LYS H . . 5.200 4.253 2.800 4.520 . 0 0 "[ . 1 . 2]" 1
347 1 28 MET HG2 1 31 ILE MD . . 7.520 5.008 4.442 5.940 . 0 0 "[ . 1 . 2]" 1
348 1 28 MET HG3 1 29 LYS H . . 5.200 4.229 2.310 5.273 0.073 13 0 "[ . 1 . 2]" 1
349 1 28 MET HG3 1 31 ILE MD . . 7.520 4.968 4.299 5.624 . 0 0 "[ . 1 . 2]" 1
350 1 28 MET QB 1 29 LYS H . . 5.180 3.064 2.547 3.749 . 0 0 "[ . 1 . 2]" 1
351 1 28 MET QB 1 31 ILE MD . . 6.200 3.280 2.949 3.585 . 0 0 "[ . 1 . 2]" 1
352 1 29 LYS H 1 29 LYS HG2 . . 5.200 3.543 2.703 4.341 . 0 0 "[ . 1 . 2]" 1
353 1 29 LYS H 1 29 LYS HG3 . . 5.200 3.164 2.391 4.231 . 0 0 "[ . 1 . 2]" 1
354 1 29 LYS H 1 29 LYS QD . . 6.080 4.282 3.861 4.877 . 0 0 "[ . 1 . 2]" 1
355 1 29 LYS H 1 30 ILE H . . 4.300 2.557 2.281 2.698 . 0 0 "[ . 1 . 2]" 1
356 1 29 LYS H 1 30 ILE HA . . 5.200 5.175 4.795 5.283 0.083 7 0 "[ . 1 . 2]" 1
357 1 29 LYS H 1 31 ILE MD . . 6.220 5.067 4.882 5.171 . 0 0 "[ . 1 . 2]" 1
358 1 29 LYS H 1 33 ILE MD . . 7.520 5.502 4.778 5.830 . 0 0 "[ . 1 . 2]" 1
359 1 29 LYS H 1 58 ILE MD . . 8.420 5.308 4.445 6.220 . 0 0 "[ . 1 . 2]" 1
360 1 29 LYS HA 1 32 GLU H . . 4.300 3.451 3.172 3.921 . 0 0 "[ . 1 . 2]" 1
361 1 29 LYS HA 1 32 GLU QB . . 4.180 2.509 2.097 3.287 . 0 0 "[ . 1 . 2]" 1
362 1 29 LYS HA 1 32 GLU QG . . 6.080 4.091 3.488 4.998 . 0 0 "[ . 1 . 2]" 1
363 1 29 LYS HA 1 33 ILE H . . 5.200 4.100 3.920 4.342 . 0 0 "[ . 1 . 2]" 1
364 1 29 LYS HB2 1 30 ILE H . . 4.300 2.695 2.328 3.108 . 0 0 "[ . 1 . 2]" 1
365 1 29 LYS HB2 1 33 ILE MD . . 6.220 4.258 3.389 4.906 . 0 0 "[ . 1 . 2]" 1
366 1 29 LYS HB2 1 58 ILE MD . . 7.520 3.690 2.822 4.557 . 0 0 "[ . 1 . 2]" 1
367 1 29 LYS HB3 1 30 ILE H . . 4.300 3.382 2.534 3.846 . 0 0 "[ . 1 . 2]" 1
368 1 29 LYS HB3 1 33 ILE MD . . 6.220 2.992 2.107 3.550 . 0 0 "[ . 1 . 2]" 1
369 1 29 LYS HB3 1 58 ILE MD . . 7.520 4.179 2.699 5.254 . 0 0 "[ . 1 . 2]" 1
370 1 29 LYS HG2 1 56 VAL MG1 . . 7.520 4.543 3.648 5.640 . 0 0 "[ . 1 . 2]" 1
371 1 29 LYS HG2 1 56 VAL MG2 . . 7.520 4.589 3.634 5.533 . 0 0 "[ . 1 . 2]" 1
372 1 29 LYS HG3 1 56 VAL MG1 . . 7.520 4.207 2.246 5.987 . 0 0 "[ . 1 . 2]" 1
373 1 29 LYS HG3 1 56 VAL MG2 . . 7.520 4.592 2.311 5.515 . 0 0 "[ . 1 . 2]" 1
374 1 29 LYS QB 1 30 ILE HA . . 6.080 3.857 3.545 4.196 . 0 0 "[ . 1 . 2]" 1
375 1 29 LYS QB 1 33 ILE MD . . 6.200 2.931 2.087 3.425 . 0 0 "[ . 1 . 2]" 1
376 1 29 LYS QB 1 56 VAL QG . . 7.280 2.937 2.191 4.202 . 0 0 "[ . 1 . 2]" 1
377 1 29 LYS QB 1 58 ILE MD . . 8.400 3.434 2.455 4.295 . 0 0 "[ . 1 . 2]" 1
378 1 29 LYS QD 1 56 VAL HB . . 6.080 3.893 2.582 4.841 . 0 0 "[ . 1 . 2]" 1
379 1 29 LYS QD 1 56 VAL MG1 . . 7.100 2.415 2.030 3.538 . 0 0 "[ . 1 . 2]" 1
380 1 29 LYS QD 1 56 VAL MG2 . . 7.100 2.550 2.091 3.527 . 0 0 "[ . 1 . 2]" 1
381 1 29 LYS QD 1 56 VAL QG . . 7.280 2.162 1.892 2.977 . 0 0 "[ . 1 . 2]" 1
382 1 29 LYS QD 1 58 ILE MD . . 6.200 3.841 2.888 4.614 . 0 0 "[ . 1 . 2]" 1
383 1 29 LYS QE 1 56 VAL QG . . 7.280 2.611 1.968 3.771 . 0 0 "[ . 1 . 2]" 1
384 1 29 LYS QE 1 57 GLY QA . . 9.160 7.026 6.389 7.352 . 0 0 "[ . 1 . 2]" 1
385 1 29 LYS QE 1 58 ILE MD . . 7.100 4.821 2.911 5.258 . 0 0 "[ . 1 . 2]" 1
386 1 29 LYS QG 1 30 ILE H . . 5.180 4.220 3.892 4.521 . 0 0 "[ . 1 . 2]" 1
387 1 29 LYS QG 1 30 ILE MD . . 8.400 5.848 4.568 6.192 . 0 0 "[ . 1 . 2]" 1
388 1 29 LYS QG 1 33 ILE MD . . 7.100 4.312 2.506 5.204 . 0 0 "[ . 1 . 2]" 1
389 1 29 LYS QG 1 56 VAL HB . . 8.280 5.503 3.623 6.817 . 0 0 "[ . 1 . 2]" 1
390 1 29 LYS QG 1 56 VAL QG . . 7.280 3.387 2.143 4.384 . 0 0 "[ . 1 . 2]" 1
391 1 29 LYS QG 1 58 ILE MD . . 7.100 4.482 3.217 5.301 . 0 0 "[ . 1 . 2]" 1
392 1 30 ILE H 1 30 ILE HB . . 3.300 2.475 2.398 2.913 . 0 0 "[ . 1 . 2]" 1
393 1 30 ILE H 1 30 ILE HG12 . . 4.300 3.632 1.865 3.999 . 0 0 "[ . 1 . 2]" 1
394 1 30 ILE H 1 30 ILE HG13 . . 4.300 2.375 2.191 3.277 . 0 0 "[ . 1 . 2]" 1
395 1 30 ILE H 1 30 ILE MD . . 5.320 3.226 2.433 3.510 . 0 0 "[ . 1 . 2]" 1
396 1 30 ILE H 1 31 ILE H . . 5.200 3.011 2.824 3.154 . 0 0 "[ . 1 . 2]" 1
397 1 30 ILE H 1 31 ILE HA . . 5.700 5.533 5.387 5.648 . 0 0 "[ . 1 . 2]" 1
398 1 30 ILE H 1 31 ILE MD . . 6.720 5.457 5.273 5.655 . 0 0 "[ . 1 . 2]" 1
399 1 30 ILE HA 1 32 GLU H . . 4.300 4.290 4.084 4.376 0.076 9 0 "[ . 1 . 2]" 1
400 1 30 ILE HA 1 33 ILE H . . 4.300 3.540 3.380 4.039 . 0 0 "[ . 1 . 2]" 1
401 1 30 ILE HA 1 33 ILE HB . . 4.300 3.294 2.617 4.163 . 0 0 "[ . 1 . 2]" 1
402 1 30 ILE HA 1 33 ILE HG12 . . 5.200 3.724 2.121 5.259 0.059 5 0 "[ . 1 . 2]" 1
403 1 30 ILE HA 1 33 ILE HG13 . . 5.200 3.837 3.154 4.375 . 0 0 "[ . 1 . 2]" 1
404 1 30 ILE HA 1 33 ILE MD . . 5.320 3.115 2.270 4.287 . 0 0 "[ . 1 . 2]" 1
405 1 30 ILE HA 1 33 ILE QG . . 6.080 3.136 2.092 4.123 . 0 0 "[ . 1 . 2]" 1
406 1 30 ILE HA 1 33 ILE MG . . 6.220 4.554 3.983 5.238 . 0 0 "[ . 1 . 2]" 1
407 1 30 ILE HA 1 34 ILE H . . 5.200 4.208 3.852 4.720 . 0 0 "[ . 1 . 2]" 1
408 1 30 ILE HA 1 53 ALA MB . . 7.520 4.162 3.426 5.302 . 0 0 "[ . 1 . 2]" 1
409 1 30 ILE HA 1 63 ILE MG . . 8.920 5.302 4.501 5.826 . 0 0 "[ . 1 . 2]" 1
410 1 30 ILE HB 1 30 ILE MD . . 3.720 2.328 2.103 3.241 . 0 0 "[ . 1 . 2]" 1
411 1 30 ILE HB 1 31 ILE H . . 4.300 2.525 2.187 2.694 . 0 0 "[ . 1 . 2]" 1
412 1 30 ILE HB 1 34 ILE MD . . 6.220 4.743 4.422 5.053 . 0 0 "[ . 1 . 2]" 1
413 1 30 ILE HG12 1 53 ALA MB . . 8.420 3.536 2.955 4.995 . 0 0 "[ . 1 . 2]" 1
414 1 30 ILE HG13 1 53 ALA MB . . 8.420 3.913 2.792 5.776 . 0 0 "[ . 1 . 2]" 1
415 1 30 ILE MD 1 31 ILE H . . 6.220 4.398 3.892 4.754 . 0 0 "[ . 1 . 2]" 1
416 1 30 ILE MD 1 63 ILE HA . . 6.720 3.319 2.364 4.443 . 0 0 "[ . 1 . 2]" 1
417 1 30 ILE MD 1 66 LEU H . . 7.520 4.635 4.064 5.200 . 0 0 "[ . 1 . 2]" 1
418 1 30 ILE MD 1 67 LEU H . . 6.220 4.091 3.200 5.077 . 0 0 "[ . 1 . 2]" 1
419 1 30 ILE MD 1 67 LEU QD . . 8.320 3.809 2.150 4.898 . 0 0 "[ . 1 . 2]" 1
420 1 30 ILE MG 1 31 ILE H . . 5.320 3.069 2.844 3.291 . 0 0 "[ . 1 . 2]" 1
421 1 30 ILE MG 1 31 ILE HA . . 5.320 3.238 3.023 3.382 . 0 0 "[ . 1 . 2]" 1
422 1 30 ILE MG 1 31 ILE MG . . 6.340 3.163 2.878 3.647 . 0 0 "[ . 1 . 2]" 1
423 1 30 ILE MG 1 32 GLU H . . 6.220 4.847 4.661 4.995 . 0 0 "[ . 1 . 2]" 1
424 1 30 ILE MG 1 34 ILE H . . 5.320 4.067 3.890 4.224 . 0 0 "[ . 1 . 2]" 1
425 1 30 ILE MG 1 34 ILE HA . . 6.720 5.270 4.871 5.519 . 0 0 "[ . 1 . 2]" 1
426 1 30 ILE MG 1 34 ILE MD . . 4.740 2.379 2.049 2.623 . 0 0 "[ . 1 . 2]" 1
427 1 30 ILE MG 1 53 ALA MB . . 8.540 4.438 4.000 5.208 . 0 0 "[ . 1 . 2]" 1
428 1 30 ILE MG 1 67 LEU HA . . 6.220 3.641 3.248 4.123 . 0 0 "[ . 1 . 2]" 1
429 1 30 ILE MG 1 67 LEU QD . . 8.320 2.591 1.999 3.553 . 0 0 "[ . 1 . 2]" 1
430 1 30 ILE MG 1 70 MET QG . . 7.100 3.435 2.651 4.126 . 0 0 "[ . 1 . 2]" 1
431 1 31 ILE H 1 31 ILE HG12 . . 4.300 3.251 2.769 3.546 . 0 0 "[ . 1 . 2]" 1
432 1 31 ILE H 1 31 ILE HG13 . . 4.300 2.143 2.003 2.235 . 0 0 "[ . 1 . 2]" 1
433 1 31 ILE H 1 31 ILE MD . . 5.320 3.699 3.532 3.856 . 0 0 "[ . 1 . 2]" 1
434 1 31 ILE H 1 31 ILE MG . . 4.320 2.399 2.208 2.612 . 0 0 "[ . 1 . 2]" 1
435 1 31 ILE H 1 32 GLU H . . 3.300 2.864 2.674 3.053 . 0 0 "[ . 1 . 2]" 1
436 1 31 ILE H 1 32 GLU HA . . 5.700 5.435 5.274 5.565 . 0 0 "[ . 1 . 2]" 1
437 1 31 ILE H 1 33 ILE MD . . 6.720 5.432 4.926 5.584 . 0 0 "[ . 1 . 2]" 1
438 1 31 ILE H 1 34 ILE MD . . 6.220 4.865 4.369 5.215 . 0 0 "[ . 1 . 2]" 1
439 1 31 ILE HA 1 33 ILE H . . 5.200 4.413 4.194 4.658 . 0 0 "[ . 1 . 2]" 1
440 1 31 ILE HA 1 34 ILE H . . 4.300 3.143 2.827 3.636 . 0 0 "[ . 1 . 2]" 1
441 1 31 ILE HA 1 34 ILE HB . . 4.300 2.501 2.240 3.031 . 0 0 "[ . 1 . 2]" 1
442 1 31 ILE HA 1 34 ILE HG12 . . 5.200 4.082 3.175 4.762 . 0 0 "[ . 1 . 2]" 1
443 1 31 ILE HA 1 34 ILE HG13 . . 5.200 2.541 2.145 3.283 . 0 0 "[ . 1 . 2]" 1
444 1 31 ILE HA 1 34 ILE MD . . 5.320 3.362 2.571 3.958 . 0 0 "[ . 1 . 2]" 1
445 1 31 ILE HA 1 34 ILE MG . . 5.320 3.949 3.681 4.460 . 0 0 "[ . 1 . 2]" 1
446 1 31 ILE HA 1 35 ASP H . . 5.200 3.758 3.494 4.106 . 0 0 "[ . 1 . 2]" 1
447 1 31 ILE HA 1 67 LEU QD . . 9.500 5.652 5.027 7.090 . 0 0 "[ . 1 . 2]" 1
448 1 31 ILE HA 1 75 ILE MG . . 6.220 4.657 4.020 5.188 . 0 0 "[ . 1 . 2]" 1
449 1 31 ILE HB 1 31 ILE MD . . 3.720 2.273 2.169 2.365 . 0 0 "[ . 1 . 2]" 1
450 1 31 ILE HB 1 32 GLU H . . 4.300 3.944 3.502 4.108 . 0 0 "[ . 1 . 2]" 1
451 1 31 ILE HB 1 32 GLU QG . . 6.080 5.125 4.039 5.506 . 0 0 "[ . 1 . 2]" 1
452 1 31 ILE MD 1 32 GLU H . . 4.320 2.814 2.553 3.260 . 0 0 "[ . 1 . 2]" 1
453 1 31 ILE MD 1 32 GLU HA . . 4.320 3.026 2.825 3.297 . 0 0 "[ . 1 . 2]" 1
454 1 31 ILE MD 1 32 GLU QB . . 5.200 3.386 2.461 3.682 . 0 0 "[ . 1 . 2]" 1
455 1 31 ILE MD 1 32 GLU QG . . 7.100 2.727 1.926 3.804 . 0 0 "[ . 1 . 2]" 1
456 1 31 ILE MD 1 86 LYS HE2 . . 6.220 4.484 3.434 5.048 . 0 0 "[ . 1 . 2]" 1
457 1 31 ILE MD 1 86 LYS HE3 . . 6.220 3.388 2.726 3.861 . 0 0 "[ . 1 . 2]" 1
458 1 31 ILE MG 1 32 GLU H . . 5.320 4.253 4.077 4.363 . 0 0 "[ . 1 . 2]" 1
459 1 31 ILE MG 1 34 ILE MD . . 7.240 3.521 2.504 4.236 . 0 0 "[ . 1 . 2]" 1
460 1 31 ILE MG 1 70 MET QG . . 7.100 4.154 3.849 4.908 . 0 0 "[ . 1 . 2]" 1
461 1 31 ILE MG 1 75 ILE HB . . 6.720 4.184 3.855 4.620 . 0 0 "[ . 1 . 2]" 1
462 1 31 ILE MG 1 76 ILE MG . . 6.340 2.501 2.212 2.913 . 0 0 "[ . 1 . 2]" 1
463 1 31 ILE MG 1 86 LYS HA . . 7.520 4.357 3.840 4.973 . 0 0 "[ . 1 . 2]" 1
464 1 31 ILE MG 1 86 LYS HB2 . . 8.420 4.087 2.728 5.771 . 0 0 "[ . 1 . 2]" 1
465 1 31 ILE MG 1 86 LYS HB3 . . 8.420 4.810 2.838 6.126 . 0 0 "[ . 1 . 2]" 1
466 1 31 ILE MG 1 86 LYS HG2 . . 6.220 3.399 2.349 5.044 . 0 0 "[ . 1 . 2]" 1
467 1 31 ILE MG 1 86 LYS HG3 . . 6.220 3.725 2.119 5.106 . 0 0 "[ . 1 . 2]" 1
468 1 31 ILE MG 1 86 LYS QD . . 6.200 3.575 2.088 4.598 . 0 0 "[ . 1 . 2]" 1
469 1 31 ILE MG 1 86 LYS QE . . 4.600 2.835 1.996 3.378 . 0 0 "[ . 1 . 2]" 1
470 1 31 ILE MG 1 86 LYS QG . . 6.200 3.078 2.086 4.369 . 0 0 "[ . 1 . 2]" 1
471 1 32 GLU H 1 32 GLU HB2 . . 3.300 2.167 2.038 2.582 . 0 0 "[ . 1 . 2]" 1
472 1 32 GLU H 1 32 GLU HB3 . . 3.300 3.198 2.420 3.397 0.097 17 0 "[ . 1 . 2]" 1
473 1 32 GLU H 1 32 GLU QB . . 3.580 2.106 2.019 2.236 . 0 0 "[ . 1 . 2]" 1
474 1 32 GLU H 1 33 ILE H . . 2.700 2.551 2.235 2.694 . 0 0 "[ . 1 . 2]" 1
475 1 32 GLU H 1 33 ILE HA . . 5.200 5.187 4.909 5.272 0.072 1 0 "[ . 1 . 2]" 1
476 1 32 GLU H 1 33 ILE HB . . 5.200 4.977 4.559 5.274 0.074 7 0 "[ . 1 . 2]" 1
477 1 32 GLU H 1 33 ILE QG . . 6.080 4.275 3.828 4.511 . 0 0 "[ . 1 . 2]" 1
478 1 32 GLU H 1 34 ILE H . . 5.200 3.897 3.610 4.085 . 0 0 "[ . 1 . 2]" 1
479 1 32 GLU H 1 35 ASP H . . 5.200 4.616 4.325 4.897 . 0 0 "[ . 1 . 2]" 1
480 1 32 GLU HA 1 34 ILE H . . 5.200 4.380 4.064 4.639 . 0 0 "[ . 1 . 2]" 1
481 1 32 GLU HA 1 35 ASP H . . 4.300 3.440 2.805 3.748 . 0 0 "[ . 1 . 2]" 1
482 1 32 GLU HB2 1 33 ILE H . . 4.300 3.078 2.543 4.034 . 0 0 "[ . 1 . 2]" 1
483 1 32 GLU HB2 1 33 ILE MD . . 6.220 4.229 2.995 5.141 . 0 0 "[ . 1 . 2]" 1
484 1 32 GLU HB3 1 33 ILE H . . 4.300 3.122 2.653 3.928 . 0 0 "[ . 1 . 2]" 1
485 1 32 GLU HB3 1 33 ILE MD . . 6.220 4.052 2.597 5.205 . 0 0 "[ . 1 . 2]" 1
486 1 32 GLU QB 1 33 ILE H . . 4.180 2.665 2.426 3.092 . 0 0 "[ . 1 . 2]" 1
487 1 32 GLU QB 1 35 ASP H . . 6.080 4.997 4.651 5.223 . 0 0 "[ . 1 . 2]" 1
488 1 32 GLU QG 1 33 ILE H . . 6.080 4.387 4.165 4.640 . 0 0 "[ . 1 . 2]" 1
489 1 33 ILE H 1 33 ILE HB . . 3.300 2.727 2.365 3.028 . 0 0 "[ . 1 . 2]" 1
490 1 33 ILE H 1 33 ILE HG12 . . 4.300 3.022 2.178 3.975 . 0 0 "[ . 1 . 2]" 1
491 1 33 ILE H 1 33 ILE HG13 . . 4.300 3.034 2.238 3.787 . 0 0 "[ . 1 . 2]" 1
492 1 33 ILE H 1 33 ILE MD . . 5.320 2.787 2.268 3.301 . 0 0 "[ . 1 . 2]" 1
493 1 33 ILE H 1 34 ILE H . . 4.300 2.677 2.356 2.813 . 0 0 "[ . 1 . 2]" 1
494 1 33 ILE H 1 34 ILE HA . . 5.700 5.274 4.981 5.382 . 0 0 "[ . 1 . 2]" 1
495 1 33 ILE H 1 34 ILE HG12 . . 5.200 5.019 4.399 5.277 0.077 11 0 "[ . 1 . 2]" 1
496 1 33 ILE H 1 34 ILE HG13 . . 5.200 4.529 3.977 5.255 0.055 4 0 "[ . 1 . 2]" 1
497 1 33 ILE H 1 35 ASP H . . 5.200 4.313 4.053 4.548 . 0 0 "[ . 1 . 2]" 1
498 1 33 ILE HA 1 35 ASP H . . 5.200 4.645 4.496 4.762 . 0 0 "[ . 1 . 2]" 1
499 1 33 ILE HA 1 36 SER H . . 4.300 3.565 3.415 3.735 . 0 0 "[ . 1 . 2]" 1
500 1 33 ILE HA 1 37 LEU QD . . 7.300 3.669 2.731 4.220 . 0 0 "[ . 1 . 2]" 1
501 1 33 ILE HB 1 34 ILE H . . 4.300 2.722 2.579 2.845 . 0 0 "[ . 1 . 2]" 1
502 1 33 ILE HB 1 34 ILE HA . . 5.200 4.114 3.776 4.547 . 0 0 "[ . 1 . 2]" 1
503 1 33 ILE HB 1 35 ASP H . . 5.200 5.226 5.067 5.276 0.076 11 0 "[ . 1 . 2]" 1
504 1 33 ILE HB 1 49 ILE HA . . 5.200 3.944 3.259 4.737 . 0 0 "[ . 1 . 2]" 1
505 1 33 ILE HB 1 49 ILE MG . . 5.320 2.809 2.300 3.598 . 0 0 "[ . 1 . 2]" 1
506 1 33 ILE MD 1 34 ILE H . . 6.220 4.423 4.175 4.607 . 0 0 "[ . 1 . 2]" 1
507 1 33 ILE MD 1 49 ILE HA . . 6.220 4.112 2.677 5.188 . 0 0 "[ . 1 . 2]" 1
508 1 33 ILE MD 1 52 GLU HB2 . . 5.320 2.996 2.200 4.028 . 0 0 "[ . 1 . 2]" 1
509 1 33 ILE MD 1 52 GLU HB3 . . 5.320 3.212 2.487 4.243 . 0 0 "[ . 1 . 2]" 1
510 1 33 ILE MD 1 52 GLU QB . . 6.200 2.722 2.133 3.623 . 0 0 "[ . 1 . 2]" 1
511 1 33 ILE MD 1 52 GLU QG . . 7.100 3.714 2.104 4.705 . 0 0 "[ . 1 . 2]" 1
512 1 33 ILE MD 1 53 ALA H . . 6.720 4.122 2.633 5.306 . 0 0 "[ . 1 . 2]" 1
513 1 33 ILE MD 1 53 ALA HA . . 6.720 3.816 2.600 4.867 . 0 0 "[ . 1 . 2]" 1
514 1 33 ILE MD 1 53 ALA MB . . 7.240 3.567 2.160 4.609 . 0 0 "[ . 1 . 2]" 1
515 1 33 ILE MD 1 55 GLN H . . 8.920 6.449 5.193 7.415 . 0 0 "[ . 1 . 2]" 1
516 1 33 ILE MD 1 55 GLN QB . . 9.800 5.773 5.132 6.974 . 0 0 "[ . 1 . 2]" 1
517 1 33 ILE MD 1 56 VAL H . . 8.420 5.337 4.408 6.546 . 0 0 "[ . 1 . 2]" 1
518 1 33 ILE MD 1 56 VAL HB . . 7.520 4.683 3.862 5.631 . 0 0 "[ . 1 . 2]" 1
519 1 33 ILE MD 1 56 VAL MG1 . . 7.740 4.027 2.666 5.090 . 0 0 "[ . 1 . 2]" 1
520 1 33 ILE MD 1 56 VAL MG2 . . 7.740 3.407 2.339 5.150 . 0 0 "[ . 1 . 2]" 1
521 1 33 ILE MD 1 56 VAL QG . . 8.320 3.065 2.301 4.032 . 0 0 "[ . 1 . 2]" 1
522 1 33 ILE QG 1 34 ILE H . . 6.080 3.975 3.621 4.310 . 0 0 "[ . 1 . 2]" 1
523 1 33 ILE QG 1 36 SER QB . . 6.960 5.066 4.346 5.645 . 0 0 "[ . 1 . 2]" 1
524 1 33 ILE QG 1 52 GLU QB . . 6.060 3.076 2.365 4.042 . 0 0 "[ . 1 . 2]" 1
525 1 33 ILE QG 1 53 ALA HA . . 7.380 4.814 3.429 6.640 . 0 0 "[ . 1 . 2]" 1
526 1 33 ILE MG 1 34 ILE H . . 5.320 3.711 3.447 4.030 . 0 0 "[ . 1 . 2]" 1
527 1 33 ILE MG 1 36 SER H . . 6.220 4.824 4.629 4.992 . 0 0 "[ . 1 . 2]" 1
528 1 33 ILE MG 1 37 LEU HA . . 6.220 5.088 5.008 5.139 . 0 0 "[ . 1 . 2]" 1
529 1 33 ILE MG 1 37 LEU H . . 7.520 3.907 3.721 4.187 . 0 0 "[ . 1 . 2]" 1
530 1 33 ILE MG 1 49 ILE H . . 6.220 4.252 3.894 4.713 . 0 0 "[ . 1 . 2]" 1
531 1 33 ILE MG 1 49 ILE HA . . 4.320 2.372 2.047 3.340 . 0 0 "[ . 1 . 2]" 1
532 1 33 ILE MG 1 52 GLU H . . 6.220 4.143 3.567 5.124 . 0 0 "[ . 1 . 2]" 1
533 1 33 ILE MG 1 52 GLU HB2 . . 5.320 2.710 2.037 4.367 . 0 0 "[ . 1 . 2]" 1
534 1 33 ILE MG 1 52 GLU HB3 . . 5.320 3.563 2.995 4.194 . 0 0 "[ . 1 . 2]" 1
535 1 33 ILE MG 1 52 GLU HG2 . . 6.220 3.451 2.343 4.179 . 0 0 "[ . 1 . 2]" 1
536 1 33 ILE MG 1 52 GLU HG3 . . 6.220 3.189 2.521 4.236 . 0 0 "[ . 1 . 2]" 1
537 1 33 ILE MG 1 52 GLU QG . . 7.100 2.916 2.248 3.613 . 0 0 "[ . 1 . 2]" 1
538 1 33 ILE MG 1 53 ALA H . . 7.520 4.307 3.627 5.696 . 0 0 "[ . 1 . 2]" 1
539 1 34 ILE H 1 34 ILE HB . . 3.300 2.625 2.457 2.856 . 0 0 "[ . 1 . 2]" 1
540 1 34 ILE H 1 34 ILE HG12 . . 4.300 2.749 2.170 3.143 . 0 0 "[ . 1 . 2]" 1
541 1 34 ILE H 1 34 ILE HG13 . . 4.300 2.450 2.062 3.222 . 0 0 "[ . 1 . 2]" 1
542 1 34 ILE H 1 34 ILE MD . . 5.320 3.856 3.673 4.013 . 0 0 "[ . 1 . 2]" 1
543 1 34 ILE H 1 35 ASP H . . 4.300 2.736 2.645 2.878 . 0 0 "[ . 1 . 2]" 1
544 1 34 ILE H 1 35 ASP HA . . 5.200 5.280 5.275 5.287 0.087 6 0 "[ . 1 . 2]" 1
545 1 34 ILE H 1 35 ASP QB . . 6.080 4.611 4.348 5.098 . 0 0 "[ . 1 . 2]" 1
546 1 34 ILE H 1 36 SER H . . 5.200 4.125 3.972 4.252 . 0 0 "[ . 1 . 2]" 1
547 1 34 ILE H 1 44 ALA MB . . 6.220 4.378 4.133 4.767 . 0 0 "[ . 1 . 2]" 1
548 1 34 ILE H 1 49 ILE MG . . 7.520 4.340 3.724 5.130 . 0 0 "[ . 1 . 2]" 1
549 1 34 ILE HA 1 36 SER H . . 5.200 4.582 4.302 4.886 . 0 0 "[ . 1 . 2]" 1
550 1 34 ILE HA 1 37 LEU H . . 4.300 3.691 3.407 4.041 . 0 0 "[ . 1 . 2]" 1
551 1 34 ILE HA 1 37 LEU QD . . 7.300 3.396 2.644 4.365 . 0 0 "[ . 1 . 2]" 1
552 1 34 ILE HA 1 38 ALA H . . 5.200 3.916 3.568 4.143 . 0 0 "[ . 1 . 2]" 1
553 1 34 ILE HA 1 38 ALA MB . . 6.220 4.203 3.749 4.587 . 0 0 "[ . 1 . 2]" 1
554 1 34 ILE HA 1 44 ALA HA . . 5.200 4.528 3.973 5.059 . 0 0 "[ . 1 . 2]" 1
555 1 34 ILE HA 1 44 ALA MB . . 4.320 2.106 1.906 2.502 . 0 0 "[ . 1 . 2]" 1
556 1 34 ILE HA 1 49 ILE MD . . 5.320 3.475 2.748 4.050 . 0 0 "[ . 1 . 2]" 1
557 1 34 ILE HB 1 35 ASP H . . 4.300 2.647 2.402 2.828 . 0 0 "[ . 1 . 2]" 1
558 1 34 ILE HB 1 35 ASP HA . . 5.200 4.280 4.050 4.524 . 0 0 "[ . 1 . 2]" 1
559 1 34 ILE HB 1 35 ASP QB . . 6.080 4.086 3.519 4.810 . 0 0 "[ . 1 . 2]" 1
560 1 34 ILE HB 1 36 SER H . . 5.200 5.085 4.827 5.252 0.052 9 0 "[ . 1 . 2]" 1
561 1 34 ILE HB 1 85 LYS HA . . 6.500 4.927 4.494 5.385 . 0 0 "[ . 1 . 2]" 1
562 1 34 ILE HB 1 86 LYS H . . 4.300 4.095 3.638 4.379 0.079 12 0 "[ . 1 . 2]" 1
563 1 34 ILE MD 1 35 ASP H . . 6.220 4.946 4.698 5.117 . 0 0 "[ . 1 . 2]" 1
564 1 34 ILE MD 1 44 ALA MB . . 6.340 3.118 2.313 3.854 . 0 0 "[ . 1 . 2]" 1
565 1 34 ILE MD 1 67 LEU HA . . 6.220 4.094 3.748 4.371 . 0 0 "[ . 1 . 2]" 1
566 1 34 ILE MD 1 67 LEU QD . . 6.420 2.372 1.940 3.438 . 0 0 "[ . 1 . 2]" 1
567 1 34 ILE MD 1 76 ILE HA . . 6.220 4.992 4.767 5.135 . 0 0 "[ . 1 . 2]" 1
568 1 34 ILE MD 1 76 ILE MD . . 6.340 2.099 1.895 2.270 . 0 0 "[ . 1 . 2]" 1
569 1 34 ILE MD 1 76 ILE MG . . 4.740 2.076 1.954 2.246 . 0 0 "[ . 1 . 2]" 1
570 1 34 ILE MD 1 77 TYR H . . 7.520 5.085 4.691 5.390 . 0 0 "[ . 1 . 2]" 1
571 1 34 ILE MD 1 84 TYR H . . 6.220 4.567 4.051 5.003 . 0 0 "[ . 1 . 2]" 1
572 1 34 ILE MD 1 84 TYR HA . . 7.520 4.894 4.394 5.459 . 0 0 "[ . 1 . 2]" 1
573 1 34 ILE MD 1 84 TYR HB2 . . 5.320 2.664 2.232 3.246 . 0 0 "[ . 1 . 2]" 1
574 1 34 ILE MD 1 84 TYR HB3 . . 5.320 2.991 2.448 3.678 . 0 0 "[ . 1 . 2]" 1
575 1 34 ILE MD 1 84 TYR QD . . 8.350 3.775 2.365 4.236 . 0 0 "[ . 1 . 2]" 1
576 1 34 ILE MD 1 84 TYR QE . . 8.350 5.201 3.783 5.760 . 0 0 "[ . 1 . 2]" 1
577 1 34 ILE MD 1 85 LYS H . . 6.220 4.527 3.969 4.968 . 0 0 "[ . 1 . 2]" 1
578 1 34 ILE MD 1 85 LYS HA . . 6.220 4.230 3.477 4.916 . 0 0 "[ . 1 . 2]" 1
579 1 34 ILE MD 1 86 LYS HA . . 6.220 4.246 3.983 4.548 . 0 0 "[ . 1 . 2]" 1
580 1 34 ILE MG 1 35 ASP H . . 5.320 3.525 3.168 3.829 . 0 0 "[ . 1 . 2]" 1
581 1 34 ILE MG 1 36 SER H . . 6.720 5.166 4.937 5.362 . 0 0 "[ . 1 . 2]" 1
582 1 34 ILE MG 1 38 ALA H . . 6.220 3.986 3.745 4.196 . 0 0 "[ . 1 . 2]" 1
583 1 34 ILE MG 1 38 ALA MB . . 6.340 2.949 2.585 3.348 . 0 0 "[ . 1 . 2]" 1
584 1 34 ILE MG 1 43 CYS QB . . 7.100 4.616 4.423 4.834 . 0 0 "[ . 1 . 2]" 1
585 1 34 ILE MG 1 44 ALA H . . 5.320 3.263 2.999 3.639 . 0 0 "[ . 1 . 2]" 1
586 1 34 ILE MG 1 44 ALA HA . . 6.220 4.598 4.322 5.003 . 0 0 "[ . 1 . 2]" 1
587 1 34 ILE MG 1 44 ALA MB . . 5.340 2.115 1.887 2.461 . 0 0 "[ . 1 . 2]" 1
588 1 34 ILE MG 1 76 ILE MD . . 6.340 3.406 2.983 3.875 . 0 0 "[ . 1 . 2]" 1
589 1 34 ILE MG 1 84 TYR H . . 6.220 4.375 4.071 4.858 . 0 0 "[ . 1 . 2]" 1
590 1 34 ILE MG 1 84 TYR HA . . 6.220 4.721 4.243 5.065 . 0 0 "[ . 1 . 2]" 1
591 1 34 ILE MG 1 84 TYR HB2 . . 6.220 3.307 2.384 3.923 . 0 0 "[ . 1 . 2]" 1
592 1 34 ILE MG 1 84 TYR HB3 . . 6.220 3.501 2.769 4.266 . 0 0 "[ . 1 . 2]" 1
593 1 34 ILE MG 1 84 TYR QD . . 8.350 4.711 3.889 5.317 . 0 0 "[ . 1 . 2]" 1
594 1 34 ILE MG 1 85 LYS H . . 6.220 3.802 3.497 4.149 . 0 0 "[ . 1 . 2]" 1
595 1 34 ILE MG 1 85 LYS HA . . 4.320 2.313 2.024 2.706 . 0 0 "[ . 1 . 2]" 1
596 1 34 ILE MG 1 85 LYS QG . . 7.100 3.528 2.701 4.538 . 0 0 "[ . 1 . 2]" 1
597 1 34 ILE MG 1 86 LYS H . . 5.320 2.173 1.864 2.647 . 0 0 "[ . 1 . 2]" 1
598 1 34 ILE MG 1 86 LYS HA . . 6.220 3.230 2.840 3.972 . 0 0 "[ . 1 . 2]" 1
599 1 34 ILE MG 1 86 LYS QB . . 7.100 2.478 1.982 3.808 . 0 0 "[ . 1 . 2]" 1
600 1 35 ASP H 1 36 SER H . . 4.300 2.655 2.529 2.722 . 0 0 "[ . 1 . 2]" 1
601 1 35 ASP H 1 36 SER HA . . 5.200 5.265 5.223 5.283 0.083 17 0 "[ . 1 . 2]" 1
602 1 35 ASP H 1 37 LEU H . . 5.200 4.210 4.009 4.431 . 0 0 "[ . 1 . 2]" 1
603 1 35 ASP H 1 38 ALA MB . . 6.220 4.531 4.363 4.767 . 0 0 "[ . 1 . 2]" 1
604 1 35 ASP H 1 44 ALA MB . . 6.220 4.842 4.578 5.212 . 0 0 "[ . 1 . 2]" 1
605 1 35 ASP H 1 86 LYS QB . . 6.080 3.900 3.015 5.339 . 0 0 "[ . 1 . 2]" 1
606 1 35 ASP H 1 86 LYS QG . . 6.080 3.963 2.579 5.353 . 0 0 "[ . 1 . 2]" 1
607 1 35 ASP HA 1 38 ALA H . . 4.300 3.303 2.588 3.801 . 0 0 "[ . 1 . 2]" 1
608 1 35 ASP HA 1 38 ALA MB . . 4.320 2.445 2.084 3.106 . 0 0 "[ . 1 . 2]" 1
609 1 35 ASP HA 1 86 LYS QB . . 6.080 3.616 2.404 4.718 . 0 0 "[ . 1 . 2]" 1
610 1 35 ASP HB2 1 36 SER H . . 4.300 3.618 2.451 4.282 . 0 0 "[ . 1 . 2]" 1
611 1 35 ASP HB3 1 36 SER H . . 4.300 3.198 2.485 4.370 0.070 8 0 "[ . 1 . 2]" 1
612 1 35 ASP QB 1 36 SER HA . . 6.080 4.152 3.782 4.847 . 0 0 "[ . 1 . 2]" 1
613 1 35 ASP QB 1 37 LEU H . . 6.080 4.910 4.587 5.414 . 0 0 "[ . 1 . 2]" 1
614 1 35 ASP QB 1 38 ALA MB . . 8.400 4.200 3.349 4.815 . 0 0 "[ . 1 . 2]" 1
615 1 35 ASP QB 1 39 VAL QG . . 8.180 4.669 4.030 5.101 . 0 0 "[ . 1 . 2]" 1
616 1 36 SER H 1 37 LEU H . . 4.300 2.700 2.500 2.809 . 0 0 "[ . 1 . 2]" 1
617 1 36 SER H 1 37 LEU HG . . 5.700 5.212 4.842 5.787 0.087 19 0 "[ . 1 . 2]" 1
618 1 36 SER H 1 37 LEU QD . . 6.400 4.652 3.613 5.014 . 0 0 "[ . 1 . 2]" 1
619 1 36 SER H 1 38 ALA H . . 4.300 4.118 3.962 4.354 0.054 5 0 "[ . 1 . 2]" 1
620 1 36 SER H 1 38 ALA MB . . 6.220 4.847 4.655 5.073 . 0 0 "[ . 1 . 2]" 1
621 1 36 SER H 1 39 VAL H . . 5.200 4.856 4.603 5.082 . 0 0 "[ . 1 . 2]" 1
622 1 36 SER H 1 39 VAL HB . . 5.200 5.189 4.949 5.287 0.087 6 0 "[ . 1 . 2]" 1
623 1 36 SER H 1 44 ALA MB . . 6.720 5.344 5.057 5.591 . 0 0 "[ . 1 . 2]" 1
624 1 32 GLU QG 1 36 SER H . . 6.080 5.116 4.092 5.522 . 0 0 "[ . 1 . 2]" 1
625 1 36 SER HA 1 39 VAL HB . . 5.200 3.105 2.652 3.952 . 0 0 "[ . 1 . 2]" 1
626 1 36 SER HA 1 39 VAL QG . . 6.400 2.973 2.247 3.619 . 0 0 "[ . 1 . 2]" 1
627 1 36 SER QB 1 37 LEU H . . 5.180 2.783 2.371 3.910 . 0 0 "[ . 1 . 2]" 1
628 1 36 SER QB 1 37 LEU MD1 . . 8.400 4.909 4.392 6.051 . 0 0 "[ . 1 . 2]" 1
629 1 36 SER QB 1 37 LEU MD2 . . 8.400 3.835 2.082 5.442 . 0 0 "[ . 1 . 2]" 1
630 1 37 LEU H 1 37 LEU HG . . 4.300 2.948 2.456 3.796 . 0 0 "[ . 1 . 2]" 1
631 1 37 LEU H 1 37 LEU MD1 . . 5.320 3.743 3.407 4.218 . 0 0 "[ . 1 . 2]" 1
632 1 37 LEU H 1 37 LEU MD2 . . 5.320 3.332 2.278 4.017 . 0 0 "[ . 1 . 2]" 1
633 1 37 LEU H 1 37 LEU QD . . 4.800 2.957 2.267 3.384 . 0 0 "[ . 1 . 2]" 1
634 1 37 LEU H 1 38 ALA H . . 3.300 2.631 2.449 2.857 . 0 0 "[ . 1 . 2]" 1
635 1 37 LEU H 1 39 VAL H . . 5.200 4.065 3.817 4.220 . 0 0 "[ . 1 . 2]" 1
636 1 37 LEU H 1 44 ALA MB . . 5.320 3.835 3.498 4.132 . 0 0 "[ . 1 . 2]" 1
637 1 37 LEU HA 1 39 VAL H . . 4.300 4.091 3.273 4.375 0.075 4 0 "[ . 1 . 2]" 1
638 1 37 LEU HA 1 40 SER H . . 5.200 4.100 2.690 5.184 . 0 0 "[ . 1 . 2]" 1
639 1 37 LEU HA 1 44 ALA HA . . 5.200 4.883 4.336 5.260 0.060 18 0 "[ . 1 . 2]" 1
640 1 37 LEU HA 1 44 ALA MB . . 6.220 4.623 4.248 5.103 . 0 0 "[ . 1 . 2]" 1
641 1 37 LEU HB2 1 38 ALA H . . 4.300 2.674 2.399 3.291 . 0 0 "[ . 1 . 2]" 1
642 1 37 LEU HB2 1 44 ALA H . . 5.200 4.684 4.206 5.165 . 0 0 "[ . 1 . 2]" 1
643 1 37 LEU HB2 1 44 ALA HA . . 4.300 3.086 2.439 3.608 . 0 0 "[ . 1 . 2]" 1
644 1 37 LEU HB2 1 45 LYS H . . 5.200 4.846 4.262 5.240 0.040 20 0 "[ . 1 . 2]" 1
645 1 37 LEU HB3 1 38 ALA H . . 4.300 3.453 2.962 3.912 . 0 0 "[ . 1 . 2]" 1
646 1 37 LEU HB3 1 44 ALA H . . 5.200 4.720 3.884 5.227 0.027 17 0 "[ . 1 . 2]" 1
647 1 37 LEU HB3 1 44 ALA HA . . 4.300 2.386 2.075 2.726 . 0 0 "[ . 1 . 2]" 1
648 1 37 LEU HB3 1 45 LYS H . . 5.200 3.823 3.226 4.439 . 0 0 "[ . 1 . 2]" 1
649 1 37 LEU HG 1 48 ASP HB2 . . 5.200 4.560 2.952 5.279 0.079 5 0 "[ . 1 . 2]" 1
650 1 37 LEU HG 1 48 ASP HB3 . . 5.200 4.046 2.741 5.296 0.096 14 0 "[ . 1 . 2]" 1
651 1 37 LEU MD1 1 38 ALA H . . 6.220 4.595 4.240 5.017 . 0 0 "[ . 1 . 2]" 1
652 1 37 LEU MD1 1 48 ASP HB2 . . 5.320 2.501 2.084 3.024 . 0 0 "[ . 1 . 2]" 1
653 1 37 LEU MD1 1 48 ASP HB3 . . 5.320 2.333 2.024 2.697 . 0 0 "[ . 1 . 2]" 1
654 1 37 LEU MD2 1 38 ALA H . . 6.220 4.686 4.314 4.911 . 0 0 "[ . 1 . 2]" 1
655 1 37 LEU MD2 1 48 ASP HB2 . . 5.320 3.634 2.885 4.399 . 0 0 "[ . 1 . 2]" 1
656 1 37 LEU MD2 1 48 ASP HB3 . . 5.320 2.956 2.225 3.973 . 0 0 "[ . 1 . 2]" 1
657 1 37 LEU QD 1 44 ALA HA . . 5.400 2.778 2.163 3.582 . 0 0 "[ . 1 . 2]" 1
658 1 37 LEU QD 1 44 ALA MB . . 5.820 2.452 1.990 3.606 . 0 0 "[ . 1 . 2]" 1
659 1 37 LEU QD 1 45 LYS H . . 6.400 3.037 2.491 3.784 . 0 0 "[ . 1 . 2]" 1
660 1 37 LEU QD 1 48 ASP H . . 7.300 4.090 3.738 4.650 . 0 0 "[ . 1 . 2]" 1
661 1 37 LEU QD 1 48 ASP HA . . 7.300 4.107 3.831 4.647 . 0 0 "[ . 1 . 2]" 1
662 1 37 LEU QD 1 49 ILE H . . 6.400 3.773 3.061 4.744 . 0 0 "[ . 1 . 2]" 1
663 1 37 LEU QD 1 49 ILE HA . . 8.600 3.822 2.916 4.717 . 0 0 "[ . 1 . 2]" 1
664 1 37 LEU QD 1 50 LEU H . . 8.600 5.686 4.950 6.528 . 0 0 "[ . 1 . 2]" 1
665 1 37 LEU QD 1 39 VAL H . . 7.300 5.195 4.369 5.512 . 0 0 "[ . 1 . 2]" 1
666 1 37 LEU QD 1 52 GLU QG . . 9.480 3.562 2.861 5.131 . 0 0 "[ . 1 . 2]" 1
667 1 38 ALA H 1 39 VAL H . . 4.300 2.794 2.553 2.936 . 0 0 "[ . 1 . 2]" 1
668 1 38 ALA H 1 39 VAL HB . . 5.200 4.768 4.463 5.113 . 0 0 "[ . 1 . 2]" 1
669 1 38 ALA H 1 39 VAL QG . . 7.300 4.459 4.081 4.840 . 0 0 "[ . 1 . 2]" 1
670 1 38 ALA H 1 44 ALA HA . . 5.200 4.521 4.042 5.061 . 0 0 "[ . 1 . 2]" 1
671 1 38 ALA H 1 44 ALA MB . . 5.320 3.185 2.593 3.677 . 0 0 "[ . 1 . 2]" 1
672 1 38 ALA HA 1 40 SER H . . 5.200 3.713 3.138 4.743 . 0 0 "[ . 1 . 2]" 1
673 1 38 ALA HA 1 41 SER H . . 5.200 3.112 2.748 3.645 . 0 0 "[ . 1 . 2]" 1
674 1 38 ALA HA 1 44 ALA H . . 5.200 4.441 3.741 4.997 . 0 0 "[ . 1 . 2]" 1
675 1 38 ALA HA 1 44 ALA HA . . 5.200 4.589 3.923 5.233 0.033 12 0 "[ . 1 . 2]" 1
676 1 38 ALA HA 1 85 LYS QD . . 8.280 5.451 3.099 6.755 . 0 0 "[ . 1 . 2]" 1
677 1 38 ALA MB 1 39 VAL H . . 5.320 3.099 2.696 3.456 . 0 0 "[ . 1 . 2]" 1
678 1 38 ALA MB 1 39 VAL HA . . 6.220 4.081 3.755 4.326 . 0 0 "[ . 1 . 2]" 1
679 1 38 ALA MB 1 40 SER H . . 6.220 4.460 4.142 5.025 . 0 0 "[ . 1 . 2]" 1
680 1 38 ALA MB 1 41 SER H . . 6.220 4.310 3.891 4.862 . 0 0 "[ . 1 . 2]" 1
681 1 38 ALA MB 1 43 CYS H . . 6.220 4.476 3.662 5.172 . 0 0 "[ . 1 . 2]" 1
682 1 38 ALA MB 1 43 CYS QB . . 7.100 4.220 3.607 4.812 . 0 0 "[ . 1 . 2]" 1
683 1 38 ALA MB 1 44 ALA H . . 5.320 3.337 2.573 4.146 . 0 0 "[ . 1 . 2]" 1
684 1 38 ALA MB 1 44 ALA HA . . 6.220 4.404 3.533 5.044 . 0 0 "[ . 1 . 2]" 1
685 1 38 ALA MB 1 85 LYS QB . . 7.100 3.673 2.629 4.149 . 0 0 "[ . 1 . 2]" 1
686 1 38 ALA MB 1 85 LYS QE . . 5.200 2.607 1.894 3.792 . 0 0 "[ . 1 . 2]" 1
687 1 38 ALA MB 1 86 LYS H . . 6.220 3.413 2.304 4.320 . 0 0 "[ . 1 . 2]" 1
688 1 39 VAL H 1 39 VAL HB . . 3.300 2.283 2.134 2.553 . 0 0 "[ . 1 . 2]" 1
689 1 39 VAL H 1 40 SER H . . 4.300 2.662 2.000 3.028 . 0 0 "[ . 1 . 2]" 1
690 1 39 VAL H 1 41 SER H . . 4.300 4.111 3.122 4.375 0.075 9 0 "[ . 1 . 2]" 1
691 1 39 VAL HB 1 40 SER H . . 4.300 3.891 2.724 4.290 . 0 0 "[ . 1 . 2]" 1
692 1 39 VAL HB 1 41 SER H . . 6.500 5.690 4.952 5.970 . 0 0 "[ . 1 . 2]" 1
693 1 39 VAL MG1 1 40 SER H . . 6.220 2.869 2.324 3.410 . 0 0 "[ . 1 . 2]" 1
694 1 39 VAL MG2 1 40 SER H . . 6.220 4.265 4.054 4.535 . 0 0 "[ . 1 . 2]" 1
695 1 39 VAL QG 1 40 SER H . . 6.400 2.818 2.311 3.248 . 0 0 "[ . 1 . 2]" 1
696 1 39 VAL QG 1 40 SER HA . . 6.400 3.718 3.416 4.089 . 0 0 "[ . 1 . 2]" 1
697 1 39 VAL QG 1 40 SER QB . . 7.280 3.125 2.444 3.869 . 0 0 "[ . 1 . 2]" 1
698 1 40 SER H 1 41 SER H . . 5.200 2.346 1.827 2.882 . 0 0 "[ . 1 . 2]" 1
699 1 40 SER QB 1 41 SER H . . 5.180 3.630 2.927 4.027 . 0 0 "[ . 1 . 2]" 1
700 1 41 SER H 1 42 GLU H . . 5.200 4.268 1.912 4.686 . 0 0 "[ . 1 . 2]" 1
701 1 41 SER H 1 43 CYS H . . 5.200 4.770 3.755 5.247 0.047 7 0 "[ . 1 . 2]" 1
702 1 41 SER HA 1 42 GLU HG2 . . 5.200 5.144 4.218 5.264 0.064 20 0 "[ . 1 . 2]" 1
703 1 41 SER HA 1 42 GLU HG3 . . 5.200 4.246 3.953 5.287 0.087 4 0 "[ . 1 . 2]" 1
704 1 41 SER HA 1 42 GLU QB . . 6.080 4.697 3.925 4.886 . 0 0 "[ . 1 . 2]" 1
705 1 41 SER HA 1 43 CYS H . . 5.200 4.203 3.841 4.804 . 0 0 "[ . 1 . 2]" 1
706 1 41 SER QB 1 42 GLU H . . 6.080 2.846 2.195 3.657 . 0 0 "[ . 1 . 2]" 1
707 1 41 SER QB 1 42 GLU QG . . 6.960 4.516 3.712 5.220 . 0 0 "[ . 1 . 2]" 1
708 1 41 SER QB 1 43 CYS H . . 5.180 2.735 2.369 3.159 . 0 0 "[ . 1 . 2]" 1
709 1 42 GLU H 1 43 CYS H . . 5.200 2.618 2.281 3.022 . 0 0 "[ . 1 . 2]" 1
710 1 42 GLU HA 1 43 CYS QB . . 6.080 4.771 4.585 5.020 . 0 0 "[ . 1 . 2]" 1
711 1 42 GLU HB2 1 43 CYS H . . 4.300 2.739 2.213 4.115 . 0 0 "[ . 1 . 2]" 1
712 1 42 GLU HB3 1 43 CYS H . . 4.300 3.748 3.487 4.315 0.015 13 0 "[ . 1 . 2]" 1
713 1 42 GLU HG2 1 43 CYS H . . 5.200 4.911 3.405 5.167 . 0 0 "[ . 1 . 2]" 1
714 1 42 GLU HG3 1 43 CYS H . . 5.200 4.244 2.754 5.294 0.094 4 0 "[ . 1 . 2]" 1
715 1 42 GLU QB 1 43 CYS HA . . 6.080 4.406 4.219 4.968 . 0 0 "[ . 1 . 2]" 1
716 1 42 GLU QB 1 43 CYS QB . . 6.960 3.573 3.170 4.198 . 0 0 "[ . 1 . 2]" 1
717 1 42 GLU QG 1 43 CYS H . . 5.180 3.991 2.643 4.420 . 0 0 "[ . 1 . 2]" 1
718 1 43 CYS H 1 44 ALA H . . 5.200 4.281 4.161 4.387 . 0 0 "[ . 1 . 2]" 1
719 1 43 CYS H 1 44 ALA HA . . 5.200 4.721 4.500 4.952 . 0 0 "[ . 1 . 2]" 1
720 1 43 CYS H 1 85 LYS QD . . 7.380 6.087 4.171 6.622 . 0 0 "[ . 1 . 2]" 1
721 1 43 CYS HA 1 44 ALA H . . 3.300 2.389 2.245 2.533 . 0 0 "[ . 1 . 2]" 1
722 1 43 CYS HA 1 44 ALA MB . . 6.220 3.979 3.825 4.111 . 0 0 "[ . 1 . 2]" 1
723 1 43 CYS HA 1 85 LYS HG2 . . 4.300 3.114 2.179 3.864 . 0 0 "[ . 1 . 2]" 1
724 1 43 CYS HA 1 85 LYS HG3 . . 4.300 2.751 1.999 3.703 . 0 0 "[ . 1 . 2]" 1
725 1 43 CYS HA 1 85 LYS QD . . 5.180 4.131 2.061 4.618 . 0 0 "[ . 1 . 2]" 1
726 1 43 CYS HA 1 85 LYS QE . . 6.080 4.578 3.575 5.509 . 0 0 "[ . 1 . 2]" 1
727 1 43 CYS HA 1 85 LYS QG . . 5.180 2.358 1.988 2.768 . 0 0 "[ . 1 . 2]" 1
728 1 43 CYS HB2 1 44 ALA H . . 4.300 2.462 2.226 2.713 . 0 0 "[ . 1 . 2]" 1
729 1 43 CYS HB2 1 83 CYS HA . . 5.700 3.826 3.346 4.204 . 0 0 "[ . 1 . 2]" 1
730 1 43 CYS HB2 1 85 LYS H . . 5.200 4.428 4.142 4.797 . 0 0 "[ . 1 . 2]" 1
731 1 43 CYS HB2 1 85 LYS HG2 . . 5.200 4.681 2.940 5.281 0.081 4 0 "[ . 1 . 2]" 1
732 1 43 CYS HB2 1 85 LYS HG3 . . 5.200 4.282 3.370 4.939 . 0 0 "[ . 1 . 2]" 1
733 1 43 CYS HB3 1 44 ALA H . . 4.300 3.680 3.525 3.801 . 0 0 "[ . 1 . 2]" 1
734 1 43 CYS HB3 1 83 CYS HA . . 5.700 5.371 4.586 5.743 0.043 13 0 "[ . 1 . 2]" 1
735 1 43 CYS HB3 1 85 LYS H . . 5.200 4.908 4.357 5.267 0.067 4 0 "[ . 1 . 2]" 1
736 1 43 CYS HB3 1 85 LYS HG2 . . 5.200 4.310 2.289 5.262 0.062 16 0 "[ . 1 . 2]" 1
737 1 43 CYS HB3 1 85 LYS HG3 . . 5.200 3.506 2.366 4.054 . 0 0 "[ . 1 . 2]" 1
738 1 43 CYS QB 1 44 ALA H . . 4.180 2.426 2.206 2.647 . 0 0 "[ . 1 . 2]" 1
739 1 43 CYS QB 1 44 ALA HA . . 6.080 4.571 4.486 4.658 . 0 0 "[ . 1 . 2]" 1
740 1 43 CYS QB 1 44 ALA MB . . 6.200 4.010 3.897 4.135 . 0 0 "[ . 1 . 2]" 1
741 1 43 CYS QB 1 84 TYR H . . 5.180 3.160 2.732 3.847 . 0 0 "[ . 1 . 2]" 1
742 1 43 CYS QB 1 84 TYR HA . . 6.080 3.646 3.258 4.010 . 0 0 "[ . 1 . 2]" 1
743 1 43 CYS QB 1 85 LYS QB . . 6.060 2.630 2.094 4.079 . 0 0 "[ . 1 . 2]" 1
744 1 43 CYS QB 1 85 LYS QD . . 6.960 4.276 3.409 4.994 . 0 0 "[ . 1 . 2]" 1
745 1 43 CYS QB 1 85 LYS QG . . 6.060 3.100 2.160 3.634 . 0 0 "[ . 1 . 2]" 1
746 1 44 ALA H 1 83 CYS HA . . 5.200 4.514 4.057 4.903 . 0 0 "[ . 1 . 2]" 1
747 1 44 ALA H 1 84 TYR H . . 4.300 3.288 2.693 3.759 . 0 0 "[ . 1 . 2]" 1
748 1 44 ALA H 1 85 LYS H . . 5.200 4.789 4.659 4.988 . 0 0 "[ . 1 . 2]" 1
749 1 44 ALA H 1 85 LYS QB . . 6.080 3.812 2.557 5.087 . 0 0 "[ . 1 . 2]" 1
750 1 44 ALA H 1 85 LYS QG . . 4.180 3.685 3.352 3.877 . 0 0 "[ . 1 . 2]" 1
751 1 44 ALA HA 1 45 LYS H . . 3.300 2.189 2.115 2.408 . 0 0 "[ . 1 . 2]" 1
752 1 44 ALA HA 1 45 LYS QD . . 6.080 4.207 2.941 5.418 . 0 0 "[ . 1 . 2]" 1
753 1 44 ALA HA 1 45 LYS QG . . 5.180 3.922 3.390 4.504 . 0 0 "[ . 1 . 2]" 1
754 1 44 ALA HA 1 49 ILE MD . . 6.220 4.306 4.093 4.567 . 0 0 "[ . 1 . 2]" 1
755 1 44 ALA MB 1 46 VAL HA . . 6.220 4.592 4.218 5.079 . 0 0 "[ . 1 . 2]" 1
756 1 44 ALA MB 1 49 ILE H . . 6.220 4.464 4.205 4.717 . 0 0 "[ . 1 . 2]" 1
757 1 44 ALA MB 1 49 ILE MD . . 5.340 2.126 2.004 2.346 . 0 0 "[ . 1 . 2]" 1
758 1 44 ALA MB 1 49 ILE MG . . 7.740 4.243 3.995 4.537 . 0 0 "[ . 1 . 2]" 1
759 1 44 ALA MB 1 83 CYS HA . . 6.220 4.511 4.225 4.724 . 0 0 "[ . 1 . 2]" 1
760 1 44 ALA MB 1 84 TYR H . . 5.320 3.268 2.901 3.624 . 0 0 "[ . 1 . 2]" 1
761 1 44 ALA MB 1 84 TYR HB2 . . 6.220 3.276 2.421 3.770 . 0 0 "[ . 1 . 2]" 1
762 1 44 ALA MB 1 84 TYR HB3 . . 6.220 4.424 3.769 4.924 . 0 0 "[ . 1 . 2]" 1
763 1 44 ALA MB 1 84 TYR QD . . 8.350 4.516 2.896 5.223 . 0 0 "[ . 1 . 2]" 1
764 1 44 ALA MB 1 85 LYS HA . . 6.220 3.659 3.303 4.095 . 0 0 "[ . 1 . 2]" 1
765 1 45 LYS H 1 45 LYS HD2 . . 4.300 3.609 2.170 4.385 0.085 14 0 "[ . 1 . 2]" 1
766 1 45 LYS H 1 45 LYS HD3 . . 4.300 2.856 1.759 4.354 0.054 10 0 "[ . 1 . 2]" 1
767 1 45 LYS H 1 45 LYS QD . . 4.180 2.686 1.751 3.793 . 0 0 "[ . 1 . 2]" 1
768 1 45 LYS H 1 45 LYS QE . . 6.080 3.733 1.765 4.768 . 0 0 "[ . 1 . 2]" 1
769 1 45 LYS H 1 45 LYS QG . . 4.180 2.262 1.747 3.271 . 0 0 "[ . 1 . 2]" 1
770 1 45 LYS H 1 46 VAL H . . 5.200 4.547 4.379 4.654 . 0 0 "[ . 1 . 2]" 1
771 1 45 LYS H 1 48 ASP H . . 5.200 4.425 3.607 4.705 . 0 0 "[ . 1 . 2]" 1
772 1 45 LYS H 1 48 ASP HB2 . . 5.200 3.732 3.217 4.636 . 0 0 "[ . 1 . 2]" 1
773 1 45 LYS H 1 48 ASP HB3 . . 5.200 4.829 3.236 5.253 0.053 19 0 "[ . 1 . 2]" 1
774 1 45 LYS H 1 49 ILE H . . 5.200 5.147 4.601 5.274 0.074 5 0 "[ . 1 . 2]" 1
775 1 45 LYS H 1 49 ILE MD . . 6.220 4.620 4.257 4.811 . 0 0 "[ . 1 . 2]" 1
776 1 45 LYS H 1 83 CYS HA . . 5.200 4.387 3.967 4.828 . 0 0 "[ . 1 . 2]" 1
777 1 45 LYS H 1 84 TYR H . . 5.200 4.879 4.678 5.158 . 0 0 "[ . 1 . 2]" 1
778 1 45 LYS HA 1 45 LYS QE . . 6.080 4.910 3.761 5.520 . 0 0 "[ . 1 . 2]" 1
779 1 45 LYS HA 1 46 VAL HB . . 5.200 4.438 4.261 4.791 . 0 0 "[ . 1 . 2]" 1
780 1 45 LYS HA 1 46 VAL QG . . 6.400 3.906 3.568 4.193 . 0 0 "[ . 1 . 2]" 1
781 1 45 LYS HA 1 47 LYS H . . 5.200 3.831 3.627 4.080 . 0 0 "[ . 1 . 2]" 1
782 1 45 LYS HA 1 83 CYS H . . 5.200 4.786 4.513 5.087 . 0 0 "[ . 1 . 2]" 1
783 1 45 LYS HA 1 84 TYR H . . 4.300 3.821 3.328 4.213 . 0 0 "[ . 1 . 2]" 1
784 1 45 LYS HB2 1 46 VAL H . . 4.300 3.686 3.283 4.137 . 0 0 "[ . 1 . 2]" 1
785 1 45 LYS HB3 1 46 VAL H . . 4.300 3.648 2.850 4.290 . 0 0 "[ . 1 . 2]" 1
786 1 45 LYS QD 1 46 VAL H . . 6.080 5.418 5.216 5.537 . 0 0 "[ . 1 . 2]" 1
787 1 45 LYS QD 1 47 LYS H . . 6.080 5.100 4.014 5.523 . 0 0 "[ . 1 . 2]" 1
788 1 45 LYS QD 1 48 ASP H . . 5.180 4.276 2.899 4.756 . 0 0 "[ . 1 . 2]" 1
789 1 45 LYS QD 1 48 ASP HB2 . . 6.580 3.851 2.402 4.884 . 0 0 "[ . 1 . 2]" 1
790 1 45 LYS QD 1 48 ASP HB3 . . 6.580 4.766 3.808 5.511 . 0 0 "[ . 1 . 2]" 1
791 1 45 LYS QD 1 49 ILE H . . 7.380 5.837 4.836 6.343 . 0 0 "[ . 1 . 2]" 1
792 1 45 LYS QD 1 83 CYS HA . . 7.380 5.670 4.924 6.612 . 0 0 "[ . 1 . 2]" 1
793 1 45 LYS QE 1 47 LYS QB . . 6.060 4.115 2.852 4.823 . 0 0 "[ . 1 . 2]" 1
794 1 45 LYS QE 1 48 ASP H . . 5.180 4.261 3.155 4.720 . 0 0 "[ . 1 . 2]" 1
795 1 45 LYS QG 1 48 ASP H . . 6.080 3.576 2.122 5.015 . 0 0 "[ . 1 . 2]" 1
796 1 46 VAL H 1 46 VAL HB . . 3.300 2.392 2.216 2.774 . 0 0 "[ . 1 . 2]" 1
797 1 46 VAL H 1 47 LYS H . . 4.300 2.767 2.628 2.939 . 0 0 "[ . 1 . 2]" 1
798 1 46 VAL H 1 48 ASP H . . 5.200 4.360 4.185 4.520 . 0 0 "[ . 1 . 2]" 1
799 1 46 VAL H 1 49 ILE H . . 5.200 4.872 4.708 5.026 . 0 0 "[ . 1 . 2]" 1
800 1 46 VAL H 1 49 ILE MD . . 6.220 3.978 3.698 4.311 . 0 0 "[ . 1 . 2]" 1
801 1 46 VAL H 1 82 GLU QB . . 6.080 3.564 2.295 4.212 . 0 0 "[ . 1 . 2]" 1
802 1 46 VAL H 1 84 TYR H . . 5.200 4.084 3.689 4.543 . 0 0 "[ . 1 . 2]" 1
803 1 46 VAL H 1 84 TYR QD . . 7.330 3.937 3.053 4.854 . 0 0 "[ . 1 . 2]" 1
804 1 46 VAL H 1 84 TYR QE . . 7.330 4.634 3.076 5.577 . 0 0 "[ . 1 . 2]" 1
805 1 46 VAL HA 1 48 ASP H . . 5.200 4.005 3.581 4.304 . 0 0 "[ . 1 . 2]" 1
806 1 46 VAL HA 1 49 ILE H . . 4.300 3.068 2.650 3.418 . 0 0 "[ . 1 . 2]" 1
807 1 46 VAL HA 1 49 ILE HB . . 4.300 2.622 2.244 3.115 . 0 0 "[ . 1 . 2]" 1
808 1 46 VAL HA 1 49 ILE HG12 . . 5.200 4.181 3.873 4.652 . 0 0 "[ . 1 . 2]" 1
809 1 46 VAL HA 1 49 ILE HG13 . . 5.200 2.725 2.249 3.427 . 0 0 "[ . 1 . 2]" 1
810 1 46 VAL HA 1 49 ILE MD . . 4.320 2.230 2.041 2.583 . 0 0 "[ . 1 . 2]" 1
811 1 46 VAL HA 1 50 LEU H . . 4.300 3.629 3.431 3.852 . 0 0 "[ . 1 . 2]" 1
812 1 46 VAL HA 1 50 LEU HG . . 5.200 4.394 3.940 4.693 . 0 0 "[ . 1 . 2]" 1
813 1 46 VAL HA 1 63 ILE MG . . 7.520 4.750 4.450 5.068 . 0 0 "[ . 1 . 2]" 1
814 1 46 VAL HA 1 67 LEU QD . . 7.300 3.278 2.843 3.728 . 0 0 "[ . 1 . 2]" 1
815 1 46 VAL HB 1 47 LYS H . . 4.300 3.712 2.814 4.358 0.058 17 0 "[ . 1 . 2]" 1
816 1 46 VAL HB 1 49 ILE H . . 5.700 5.510 5.028 5.744 0.044 3 0 "[ . 1 . 2]" 1
817 1 46 VAL HB 1 49 ILE MD . . 6.220 3.932 2.929 4.797 . 0 0 "[ . 1 . 2]" 1
818 1 46 VAL HB 1 50 LEU QD . . 7.300 4.306 3.896 4.728 . 0 0 "[ . 1 . 2]" 1
819 1 46 VAL HB 1 63 ILE MG . . 8.420 5.782 4.961 6.268 . 0 0 "[ . 1 . 2]" 1
820 1 46 VAL HB 1 67 LEU QD . . 7.300 3.676 2.519 4.565 . 0 0 "[ . 1 . 2]" 1
821 1 46 VAL HB 1 84 TYR QD . . 7.330 3.573 2.294 5.807 . 0 0 "[ . 1 . 2]" 1
822 1 46 VAL HB 1 84 TYR QE . . 7.330 3.319 2.103 4.924 . 0 0 "[ . 1 . 2]" 1
823 1 46 VAL MG1 1 47 LYS H . . 5.320 3.030 2.303 3.834 . 0 0 "[ . 1 . 2]" 1
824 1 46 VAL MG1 1 49 ILE H . . 6.220 4.860 4.395 5.185 . 0 0 "[ . 1 . 2]" 1
825 1 46 VAL MG1 1 49 ILE MD . . 7.240 4.072 3.214 4.893 . 0 0 "[ . 1 . 2]" 1
826 1 46 VAL MG1 1 50 LEU H . . 6.220 4.212 3.399 4.891 . 0 0 "[ . 1 . 2]" 1
827 1 46 VAL MG1 1 67 LEU MD1 . . 7.240 3.614 2.047 4.875 . 0 0 "[ . 1 . 2]" 1
828 1 46 VAL MG1 1 67 LEU MD2 . . 7.240 4.319 2.092 5.048 . 0 0 "[ . 1 . 2]" 1
829 1 46 VAL MG2 1 47 LYS H . . 5.320 4.112 3.892 4.261 . 0 0 "[ . 1 . 2]" 1
830 1 46 VAL MG2 1 49 ILE H . . 6.220 4.565 4.007 5.138 . 0 0 "[ . 1 . 2]" 1
831 1 46 VAL MG2 1 49 ILE MD . . 7.240 2.702 2.231 3.622 . 0 0 "[ . 1 . 2]" 1
832 1 46 VAL MG2 1 50 LEU H . . 6.220 4.104 3.148 5.159 . 0 0 "[ . 1 . 2]" 1
833 1 46 VAL MG2 1 67 LEU MD1 . . 7.240 2.441 1.839 4.722 . 0 0 "[ . 1 . 2]" 1
834 1 46 VAL MG2 1 67 LEU MD2 . . 7.240 2.881 1.986 3.709 . 0 0 "[ . 1 . 2]" 1
835 1 46 VAL QG 1 47 LYS H . . 6.400 2.921 2.290 3.546 . 0 0 "[ . 1 . 2]" 1
836 1 46 VAL QG 1 47 LYS HA . . 7.300 3.515 3.072 3.898 . 0 0 "[ . 1 . 2]" 1
837 1 46 VAL QG 1 47 LYS QB . . 7.280 4.048 3.101 4.846 . 0 0 "[ . 1 . 2]" 1
838 1 46 VAL QG 1 47 LYS QG . . 8.180 4.191 2.807 5.261 . 0 0 "[ . 1 . 2]" 1
839 1 46 VAL QG 1 48 ASP H . . 7.300 4.473 4.261 4.749 . 0 0 "[ . 1 . 2]" 1
840 1 46 VAL QG 1 49 ILE HB . . 7.300 3.047 2.272 3.621 . 0 0 "[ . 1 . 2]" 1
841 1 46 VAL QG 1 49 ILE MD . . 7.420 2.658 2.192 3.531 . 0 0 "[ . 1 . 2]" 1
842 1 46 VAL QG 1 50 LEU H . . 6.400 3.425 3.106 3.675 . 0 0 "[ . 1 . 2]" 1
843 1 46 VAL QG 1 50 LEU HG . . 6.400 2.488 2.275 2.706 . 0 0 "[ . 1 . 2]" 1
844 1 46 VAL QG 1 50 LEU QB . . 7.280 3.558 3.373 3.745 . 0 0 "[ . 1 . 2]" 1
845 1 46 VAL QG 1 50 LEU QD . . 7.500 2.097 1.926 2.335 . 0 0 "[ . 1 . 2]" 1
846 1 46 VAL QG 1 63 ILE MD . . 9.620 5.106 4.530 5.425 . 0 0 "[ . 1 . 2]" 1
847 1 46 VAL QG 1 64 GLU HA . . 8.600 4.072 3.382 4.700 . 0 0 "[ . 1 . 2]" 1
848 1 46 VAL QG 1 67 LEU HG . . 7.300 3.939 2.124 4.509 . 0 0 "[ . 1 . 2]" 1
849 1 46 VAL QG 1 67 LEU QB . . 9.480 3.566 2.954 4.308 . 0 0 "[ . 1 . 2]" 1
850 1 46 VAL QG 1 67 LEU QD . . 7.500 1.908 1.808 2.128 . 0 0 "[ . 1 . 2]" 1
851 1 46 VAL QG 1 78 GLU QG . . 8.180 4.826 4.130 5.430 . 0 0 "[ . 1 . 2]" 1
852 1 46 VAL QG 1 82 GLU HA . . 6.400 2.566 2.115 3.269 . 0 0 "[ . 1 . 2]" 1
853 1 46 VAL QG 1 82 GLU QB . . 9.480 2.745 2.086 3.650 . 0 0 "[ . 1 . 2]" 1
854 1 46 VAL QG 1 82 GLU QG . . 7.280 3.267 2.123 4.324 . 0 0 "[ . 1 . 2]" 1
855 1 46 VAL QG 1 83 CYS H . . 8.600 4.187 3.196 5.336 . 0 0 "[ . 1 . 2]" 1
856 1 46 VAL QG 1 83 CYS HA . . 7.300 3.816 2.397 5.116 . 0 0 "[ . 1 . 2]" 1
857 1 46 VAL QG 1 84 TYR H . . 7.300 4.152 2.589 5.363 . 0 0 "[ . 1 . 2]" 1
858 1 46 VAL QG 1 84 TYR QD . . 8.530 2.869 2.099 4.021 . 0 0 "[ . 1 . 2]" 1
859 1 46 VAL QG 1 84 TYR QE . . 7.530 2.358 2.074 3.127 . 0 0 "[ . 1 . 2]" 1
860 1 47 LYS H 1 47 LYS HG2 . . 5.200 3.797 2.064 4.533 . 0 0 "[ . 1 . 2]" 1
861 1 47 LYS H 1 47 LYS HG3 . . 5.200 3.631 2.086 4.533 . 0 0 "[ . 1 . 2]" 1
862 1 47 LYS H 1 47 LYS QD . . 6.080 3.770 1.849 4.830 . 0 0 "[ . 1 . 2]" 1
863 1 47 LYS H 1 48 ASP H . . 4.300 2.708 2.599 2.818 . 0 0 "[ . 1 . 2]" 1
864 1 47 LYS H 1 48 ASP HA . . 5.200 5.273 5.248 5.291 0.091 15 0 "[ . 1 . 2]" 1
865 1 47 LYS H 1 49 ILE H . . 5.200 4.089 3.980 4.284 . 0 0 "[ . 1 . 2]" 1
866 1 47 LYS H 1 49 ILE MD . . 6.720 5.133 4.906 5.338 . 0 0 "[ . 1 . 2]" 1
867 1 47 LYS H 1 50 LEU QD . . 7.300 4.149 3.925 4.415 . 0 0 "[ . 1 . 2]" 1
868 1 47 LYS HA 1 49 ILE H . . 5.200 4.552 4.484 4.770 . 0 0 "[ . 1 . 2]" 1
869 1 47 LYS HA 1 50 LEU H . . 4.300 3.756 3.502 4.083 . 0 0 "[ . 1 . 2]" 1
870 1 47 LYS HA 1 50 LEU HB2 . . 4.300 2.684 2.397 2.950 . 0 0 "[ . 1 . 2]" 1
871 1 47 LYS HA 1 50 LEU HB3 . . 4.300 4.168 3.906 4.356 0.056 4 0 "[ . 1 . 2]" 1
872 1 47 LYS HA 1 50 LEU HG . . 5.200 4.491 4.145 4.948 . 0 0 "[ . 1 . 2]" 1
873 1 47 LYS HA 1 50 LEU QB . . 5.180 2.653 2.376 2.905 . 0 0 "[ . 1 . 2]" 1
874 1 47 LYS HA 1 50 LEU MD1 . . 6.720 2.778 2.418 3.097 . 0 0 "[ . 1 . 2]" 1
875 1 47 LYS HA 1 50 LEU MD2 . . 6.720 5.101 4.782 5.349 . 0 0 "[ . 1 . 2]" 1
876 1 47 LYS HA 1 50 LEU QD . . 7.800 2.766 2.412 3.077 . 0 0 "[ . 1 . 2]" 1
877 1 47 LYS HG2 1 48 ASP H . . 5.200 4.603 3.931 5.251 0.051 9 0 "[ . 1 . 2]" 1
878 1 47 LYS HG3 1 48 ASP H . . 5.200 4.748 2.587 5.205 0.005 15 0 "[ . 1 . 2]" 1
879 1 47 LYS QB 1 48 ASP H . . 4.180 2.680 2.147 3.354 . 0 0 "[ . 1 . 2]" 1
880 1 47 LYS QB 1 49 ILE H . . 6.080 4.659 4.309 5.041 . 0 0 "[ . 1 . 2]" 1
881 1 47 LYS QD 1 48 ASP H . . 6.080 4.639 2.316 5.319 . 0 0 "[ . 1 . 2]" 1
882 1 47 LYS QD 1 48 ASP HA . . 6.580 5.571 3.098 5.987 . 0 0 "[ . 1 . 2]" 1
883 1 47 LYS QG 1 48 ASP H . . 6.080 4.077 2.559 4.533 . 0 0 "[ . 1 . 2]" 1
884 1 48 ASP H 1 49 ILE H . . 3.300 2.408 2.216 2.590 . 0 0 "[ . 1 . 2]" 1
885 1 48 ASP H 1 49 ILE HA . . 5.200 5.075 4.916 5.184 . 0 0 "[ . 1 . 2]" 1
886 1 48 ASP H 1 49 ILE HB . . 5.200 4.848 4.555 5.261 0.061 14 0 "[ . 1 . 2]" 1
887 1 48 ASP H 1 49 ILE HG12 . . 5.200 5.247 4.891 5.284 0.084 9 0 "[ . 1 . 2]" 1
888 1 48 ASP H 1 49 ILE HG13 . . 5.200 3.765 3.593 3.921 . 0 0 "[ . 1 . 2]" 1
889 1 48 ASP H 1 49 ILE MD . . 6.220 4.897 4.458 5.149 . 0 0 "[ . 1 . 2]" 1
890 1 48 ASP H 1 50 LEU H . . 5.200 4.086 3.763 4.240 . 0 0 "[ . 1 . 2]" 1
891 1 48 ASP H 1 51 LYS H . . 5.200 4.576 4.445 4.740 . 0 0 "[ . 1 . 2]" 1
892 1 48 ASP HA 1 51 LYS H . . 5.200 3.366 3.011 3.815 . 0 0 "[ . 1 . 2]" 1
893 1 48 ASP HA 1 51 LYS QB . . 5.180 2.561 2.261 3.070 . 0 0 "[ . 1 . 2]" 1
894 1 48 ASP HB2 1 49 ILE H . . 4.300 2.876 2.410 3.751 . 0 0 "[ . 1 . 2]" 1
895 1 48 ASP HB2 1 49 ILE HA . . 5.200 4.600 3.827 5.272 0.072 5 0 "[ . 1 . 2]" 1
896 1 48 ASP HB3 1 49 ILE H . . 4.300 3.422 2.558 3.769 . 0 0 "[ . 1 . 2]" 1
897 1 48 ASP HB3 1 49 ILE HA . . 5.200 4.291 3.750 5.067 . 0 0 "[ . 1 . 2]" 1
898 1 49 ILE H 1 49 ILE HB . . 3.300 2.706 2.573 2.870 . 0 0 "[ . 1 . 2]" 1
899 1 49 ILE H 1 49 ILE MD . . 5.320 3.523 3.301 3.634 . 0 0 "[ . 1 . 2]" 1
900 1 49 ILE H 1 50 LEU H . . 4.300 2.670 2.455 2.741 . 0 0 "[ . 1 . 2]" 1
901 1 49 ILE H 1 50 LEU HG . . 5.200 5.046 4.810 5.251 0.051 5 0 "[ . 1 . 2]" 1
902 1 49 ILE H 1 50 LEU QB . . 5.180 4.383 4.369 4.393 . 0 0 "[ . 1 . 2]" 1
903 1 49 ILE H 1 51 LYS H . . 5.200 4.006 3.880 4.080 . 0 0 "[ . 1 . 2]" 1
904 1 49 ILE HA 1 51 LYS H . . 4.300 4.374 4.360 4.380 0.080 14 0 "[ . 1 . 2]" 1
905 1 49 ILE HA 1 52 GLU H . . 4.300 3.552 3.301 3.708 . 0 0 "[ . 1 . 2]" 1
906 1 49 ILE HA 1 52 GLU HB2 . . 5.200 3.506 2.748 5.252 0.052 3 0 "[ . 1 . 2]" 1
907 1 49 ILE HA 1 52 GLU HB3 . . 5.200 4.971 4.045 5.269 0.069 20 0 "[ . 1 . 2]" 1
908 1 49 ILE HA 1 52 GLU HG2 . . 5.200 4.070 2.260 4.630 . 0 0 "[ . 1 . 2]" 1
909 1 49 ILE HA 1 52 GLU HG3 . . 5.200 4.793 2.533 5.271 0.071 9 0 "[ . 1 . 2]" 1
910 1 49 ILE HA 1 52 GLU QB . . 5.180 3.351 2.724 4.010 . 0 0 "[ . 1 . 2]" 1
911 1 49 ILE HA 1 53 ALA H . . 5.200 3.629 3.337 3.805 . 0 0 "[ . 1 . 2]" 1
912 1 49 ILE HA 1 53 ALA MB . . 6.220 3.968 3.707 4.183 . 0 0 "[ . 1 . 2]" 1
913 1 49 ILE MD 1 50 LEU H . . 6.220 4.366 4.209 4.560 . 0 0 "[ . 1 . 2]" 1
914 1 49 ILE MD 1 67 LEU MD1 . . 6.340 2.969 2.116 4.283 . 0 0 "[ . 1 . 2]" 1
915 1 49 ILE MD 1 67 LEU MD2 . . 6.340 2.267 2.011 2.842 . 0 0 "[ . 1 . 2]" 1
916 1 49 ILE MD 1 67 LEU QD . . 7.420 2.160 1.921 2.740 . 0 0 "[ . 1 . 2]" 1
917 1 49 ILE MD 1 83 CYS HA . . 6.220 4.529 4.068 5.103 . 0 0 "[ . 1 . 2]" 1
918 1 49 ILE MD 1 84 TYR H . . 5.320 3.504 3.141 4.081 . 0 0 "[ . 1 . 2]" 1
919 1 49 ILE MD 1 84 TYR QD . . 7.450 3.228 2.061 4.301 . 0 0 "[ . 1 . 2]" 1
920 1 49 ILE MD 1 84 TYR QE . . 8.350 4.453 2.696 5.344 . 0 0 "[ . 1 . 2]" 1
921 1 50 LEU H 1 50 LEU HG . . 4.300 2.650 2.438 2.780 . 0 0 "[ . 1 . 2]" 1
922 1 50 LEU H 1 50 LEU MD1 . . 5.320 3.461 3.288 3.630 . 0 0 "[ . 1 . 2]" 1
923 1 50 LEU H 1 50 LEU MD2 . . 5.320 3.891 3.748 3.982 . 0 0 "[ . 1 . 2]" 1
924 1 50 LEU H 1 51 LYS H . . 4.300 2.814 2.640 2.872 . 0 0 "[ . 1 . 2]" 1
925 1 50 LEU H 1 52 GLU H . . 5.200 4.613 4.398 4.725 . 0 0 "[ . 1 . 2]" 1
926 1 50 LEU H 1 53 ALA MB . . 6.220 4.605 4.442 4.729 . 0 0 "[ . 1 . 2]" 1
927 1 50 LEU H 1 63 ILE MG . . 6.220 3.574 3.366 3.934 . 0 0 "[ . 1 . 2]" 1
928 1 50 LEU HA 1 52 GLU H . . 5.200 4.954 4.725 5.080 . 0 0 "[ . 1 . 2]" 1
929 1 50 LEU HA 1 53 ALA H . . 4.300 3.898 3.784 4.078 . 0 0 "[ . 1 . 2]" 1
930 1 50 LEU HA 1 53 ALA MB . . 5.320 2.984 2.666 3.224 . 0 0 "[ . 1 . 2]" 1
931 1 50 LEU HA 1 54 GLN H . . 5.200 3.740 3.543 3.963 . 0 0 "[ . 1 . 2]" 1
932 1 50 LEU HA 1 54 GLN QG . . 6.080 3.597 3.049 5.274 . 0 0 "[ . 1 . 2]" 1
933 1 50 LEU HA 1 63 ILE MD . . 5.320 2.307 1.994 3.583 . 0 0 "[ . 1 . 2]" 1
934 1 50 LEU HA 1 63 ILE MG . . 5.320 2.441 2.165 3.010 . 0 0 "[ . 1 . 2]" 1
935 1 50 LEU HB2 1 51 LYS H . . 4.300 2.737 2.590 2.837 . 0 0 "[ . 1 . 2]" 1
936 1 50 LEU HB3 1 51 LYS H . . 4.300 3.406 3.317 3.514 . 0 0 "[ . 1 . 2]" 1
937 1 50 LEU HG 1 51 LYS H . . 5.200 4.733 4.601 4.824 . 0 0 "[ . 1 . 2]" 1
938 1 50 LEU HG 1 53 ALA MB . . 6.220 4.987 4.759 5.105 . 0 0 "[ . 1 . 2]" 1
939 1 50 LEU HG 1 63 ILE MG . . 5.320 2.623 2.319 3.178 . 0 0 "[ . 1 . 2]" 1
940 1 50 LEU QB 1 51 LYS H . . 5.180 2.630 2.503 2.695 . 0 0 "[ . 1 . 2]" 1
941 1 50 LEU QB 1 51 LYS HA . . 6.080 3.925 3.822 4.078 . 0 0 "[ . 1 . 2]" 1
942 1 50 LEU QB 1 52 GLU H . . 6.080 5.037 4.863 5.176 . 0 0 "[ . 1 . 2]" 1
943 1 50 LEU QB 1 54 GLN H . . 6.080 4.768 4.596 4.878 . 0 0 "[ . 1 . 2]" 1
944 1 50 LEU QB 1 54 GLN QG . . 6.960 3.808 3.175 4.718 . 0 0 "[ . 1 . 2]" 1
945 1 50 LEU MD1 1 51 LYS H . . 6.220 4.588 4.455 4.772 . 0 0 "[ . 1 . 2]" 1
946 1 50 LEU MD1 1 53 ALA MB . . 8.540 5.746 5.484 5.839 . 0 0 "[ . 1 . 2]" 1
947 1 50 LEU MD1 1 64 GLU HG2 . . 6.220 3.682 3.221 4.552 . 0 0 "[ . 1 . 2]" 1
948 1 50 LEU MD1 1 64 GLU HG3 . . 6.220 4.103 2.821 5.026 . 0 0 "[ . 1 . 2]" 1
949 1 50 LEU MD2 1 51 LYS H . . 6.220 4.798 4.743 4.846 . 0 0 "[ . 1 . 2]" 1
950 1 50 LEU MD2 1 53 ALA MB . . 8.540 3.944 3.724 4.180 . 0 0 "[ . 1 . 2]" 1
951 1 50 LEU MD2 1 64 GLU HG2 . . 6.220 3.063 2.174 3.797 . 0 0 "[ . 1 . 2]" 1
952 1 50 LEU MD2 1 64 GLU HG3 . . 6.220 3.079 2.347 4.492 . 0 0 "[ . 1 . 2]" 1
953 1 50 LEU QD 1 51 LYS H . . 6.400 4.173 4.084 4.239 . 0 0 "[ . 1 . 2]" 1
954 1 50 LEU QD 1 52 GLU H . . 8.600 5.875 5.731 5.959 . 0 0 "[ . 1 . 2]" 1
955 1 50 LEU QD 1 53 ALA H . . 7.300 5.262 5.137 5.455 . 0 0 "[ . 1 . 2]" 1
956 1 50 LEU QD 1 54 GLN H . . 7.300 4.649 4.435 4.872 . 0 0 "[ . 1 . 2]" 1
957 1 50 LEU QD 1 54 GLN QG . . 7.280 3.315 2.955 4.251 . 0 0 "[ . 1 . 2]" 1
958 1 50 LEU QD 1 60 LYS HA . . 6.400 2.199 1.958 2.619 . 0 0 "[ . 1 . 2]" 1
959 1 50 LEU QD 1 60 LYS QB . . 8.180 2.712 1.923 3.729 . 0 0 "[ . 1 . 2]" 1
960 1 50 LEU QD 1 60 LYS QD . . 8.180 3.926 2.927 4.618 . 0 0 "[ . 1 . 2]" 1
961 1 50 LEU QD 1 60 LYS QE . . 8.180 4.812 3.930 5.255 . 0 0 "[ . 1 . 2]" 1
962 1 50 LEU QD 1 63 ILE H . . 7.300 3.839 3.634 3.988 . 0 0 "[ . 1 . 2]" 1
963 1 50 LEU QD 1 63 ILE HB . . 5.400 2.198 2.020 2.350 . 0 0 "[ . 1 . 2]" 1
964 1 50 LEU QD 1 64 GLU H . . 7.300 3.602 3.133 3.926 . 0 0 "[ . 1 . 2]" 1
965 1 50 LEU QD 1 64 GLU HA . . 7.300 4.130 3.568 4.530 . 0 0 "[ . 1 . 2]" 1
966 1 50 LEU QD 1 64 GLU QG . . 7.280 2.533 2.092 3.239 . 0 0 "[ . 1 . 2]" 1
967 1 50 LEU QD 1 67 LEU HG . . 7.300 5.312 4.708 5.584 . 0 0 "[ . 1 . 2]" 1
968 1 50 LEU QD 1 67 LEU QD . . 8.490 3.448 3.077 4.387 . 0 0 "[ . 1 . 2]" 1
969 1 51 LYS H 1 51 LYS HG2 . . 5.200 4.224 2.798 4.599 . 0 0 "[ . 1 . 2]" 1
970 1 51 LYS H 1 51 LYS HG3 . . 5.200 4.202 2.461 4.620 . 0 0 "[ . 1 . 2]" 1
971 1 51 LYS H 1 52 GLU H . . 4.300 2.923 2.822 3.022 . 0 0 "[ . 1 . 2]" 1
972 1 51 LYS H 1 52 GLU QG . . 6.080 4.662 4.067 4.984 . 0 0 "[ . 1 . 2]" 1
973 1 51 LYS H 1 53 ALA H . . 5.200 4.264 4.169 4.336 . 0 0 "[ . 1 . 2]" 1
974 1 51 LYS HA 1 51 LYS QG . . 3.580 2.525 2.129 3.295 . 0 0 "[ . 1 . 2]" 1
975 1 51 LYS QB 1 52 GLU H . . 5.180 2.383 2.162 2.715 . 0 0 "[ . 1 . 2]" 1
976 1 51 LYS QG 1 52 GLU H . . 6.080 3.547 2.719 4.433 . 0 0 "[ . 1 . 2]" 1
977 1 52 GLU H 1 52 GLU HG2 . . 4.300 2.427 2.195 3.924 . 0 0 "[ . 1 . 2]" 1
978 1 52 GLU H 1 52 GLU HG3 . . 4.300 3.719 2.843 3.857 . 0 0 "[ . 1 . 2]" 1
979 1 52 GLU H 1 52 GLU QG . . 4.180 2.348 2.176 2.779 . 0 0 "[ . 1 . 2]" 1
980 1 52 GLU H 1 53 ALA H . . 2.700 2.750 2.621 2.775 0.075 17 0 "[ . 1 . 2]" 1
981 1 52 GLU HB2 1 53 ALA H . . 5.200 3.025 2.803 4.072 . 0 0 "[ . 1 . 2]" 1
982 1 52 GLU HB2 1 53 ALA MB . . 6.220 4.244 3.799 5.068 . 0 0 "[ . 1 . 2]" 1
983 1 52 GLU HB3 1 53 ALA H . . 5.200 3.892 3.699 4.090 . 0 0 "[ . 1 . 2]" 1
984 1 52 GLU HB3 1 53 ALA MB . . 6.220 4.943 4.662 5.202 . 0 0 "[ . 1 . 2]" 1
985 1 52 GLU QB 1 53 ALA H . . 5.180 2.905 2.745 3.490 . 0 0 "[ . 1 . 2]" 1
986 1 52 GLU QB 1 53 ALA MB . . 7.100 4.004 3.640 4.515 . 0 0 "[ . 1 . 2]" 1
987 1 52 GLU QG 1 53 ALA H . . 5.180 4.060 1.981 4.367 . 0 0 "[ . 1 . 2]" 1
988 1 53 ALA H 1 54 GLN H . . 3.300 2.726 2.649 2.835 . 0 0 "[ . 1 . 2]" 1
989 1 53 ALA H 1 54 GLN QB . . 6.080 4.681 4.330 4.846 . 0 0 "[ . 1 . 2]" 1
990 1 53 ALA H 1 55 GLN H . . 5.200 4.036 3.830 4.282 . 0 0 "[ . 1 . 2]" 1
991 1 53 ALA H 1 56 VAL QG . . 7.300 4.392 3.812 4.627 . 0 0 "[ . 1 . 2]" 1
992 1 53 ALA H 1 63 ILE MD . . 6.220 3.874 3.623 4.237 . 0 0 "[ . 1 . 2]" 1
993 1 53 ALA H 1 63 ILE MG . . 6.220 4.605 4.208 5.064 . 0 0 "[ . 1 . 2]" 1
994 1 53 ALA HA 1 55 GLN H . . 5.200 4.321 3.885 4.749 . 0 0 "[ . 1 . 2]" 1
995 1 53 ALA HA 1 56 VAL H . . 4.300 3.085 2.506 3.681 . 0 0 "[ . 1 . 2]" 1
996 1 53 ALA HA 1 56 VAL HB . . 5.200 2.927 2.092 4.428 . 0 0 "[ . 1 . 2]" 1
997 1 53 ALA HA 1 56 VAL QG . . 5.400 2.530 1.818 3.090 . 0 0 "[ . 1 . 2]" 1
998 1 53 ALA HA 1 57 GLY H . . 5.200 4.061 3.724 4.379 . 0 0 "[ . 1 . 2]" 1
999 1 53 ALA HA 1 58 ILE H . . 5.200 4.199 3.928 4.692 . 0 0 "[ . 1 . 2]" 1
1000 1 53 ALA HA 1 58 ILE HB . . 5.200 3.885 3.507 4.105 . 0 0 "[ . 1 . 2]" 1
1001 1 53 ALA HA 1 58 ILE MG . . 6.220 5.031 4.622 5.218 . 0 0 "[ . 1 . 2]" 1
1002 1 53 ALA HA 1 63 ILE MD . . 6.220 4.068 3.900 4.275 . 0 0 "[ . 1 . 2]" 1
1003 1 53 ALA MB 1 54 GLN H . . 5.320 2.757 2.232 2.980 . 0 0 "[ . 1 . 2]" 1
1004 1 53 ALA MB 1 54 GLN HA . . 5.320 4.074 3.570 4.217 . 0 0 "[ . 1 . 2]" 1
1005 1 53 ALA MB 1 54 GLN HG2 . . 6.220 4.443 3.650 5.097 . 0 0 "[ . 1 . 2]" 1
1006 1 53 ALA MB 1 54 GLN HG3 . . 6.220 4.247 3.344 5.072 . 0 0 "[ . 1 . 2]" 1
1007 1 53 ALA MB 1 55 GLN H . . 6.220 4.577 4.380 4.709 . 0 0 "[ . 1 . 2]" 1
1008 1 53 ALA MB 1 56 VAL H . . 6.220 4.418 4.007 4.584 . 0 0 "[ . 1 . 2]" 1
1009 1 53 ALA MB 1 56 VAL HB . . 6.220 4.290 3.599 5.256 . 0 0 "[ . 1 . 2]" 1
1010 1 53 ALA MB 1 58 ILE H . . 6.220 3.895 3.661 4.284 . 0 0 "[ . 1 . 2]" 1
1011 1 53 ALA MB 1 58 ILE MG . . 7.240 3.161 2.822 3.388 . 0 0 "[ . 1 . 2]" 1
1012 1 53 ALA MB 1 63 ILE HA . . 6.220 4.416 4.158 4.661 . 0 0 "[ . 1 . 2]" 1
1013 1 53 ALA MB 1 63 ILE HB . . 6.220 4.241 3.985 4.862 . 0 0 "[ . 1 . 2]" 1
1014 1 53 ALA MB 1 63 ILE MD . . 5.340 1.949 1.822 2.029 . 0 0 "[ . 1 . 2]" 1
1015 1 53 ALA MB 1 63 ILE MG . . 6.340 2.847 2.465 3.294 . 0 0 "[ . 1 . 2]" 1
1016 1 53 ALA MB 1 67 LEU QD . . 9.620 4.554 3.533 5.211 . 0 0 "[ . 1 . 2]" 1
1017 1 54 GLN H 1 54 GLN HG2 . . 4.300 3.402 2.584 4.317 0.017 6 0 "[ . 1 . 2]" 1
1018 1 54 GLN H 1 54 GLN HG3 . . 4.300 3.006 2.472 4.286 . 0 0 "[ . 1 . 2]" 1
1019 1 54 GLN H 1 55 GLN H . . 3.300 2.650 2.226 2.830 . 0 0 "[ . 1 . 2]" 1
1020 1 54 GLN H 1 55 GLN QG . . 6.080 4.590 4.202 5.520 . 0 0 "[ . 1 . 2]" 1
1021 1 54 GLN H 1 56 VAL H . . 5.200 4.184 3.901 4.417 . 0 0 "[ . 1 . 2]" 1
1022 1 54 GLN H 1 56 VAL QG . . 7.300 4.844 4.357 5.116 . 0 0 "[ . 1 . 2]" 1
1023 1 54 GLN H 1 58 ILE H . . 5.200 4.652 4.451 4.814 . 0 0 "[ . 1 . 2]" 1
1024 1 54 GLN H 1 58 ILE HB . . 5.200 4.599 4.233 4.854 . 0 0 "[ . 1 . 2]" 1
1025 1 54 GLN H 1 63 ILE MD . . 5.320 3.124 2.819 4.144 . 0 0 "[ . 1 . 2]" 1
1026 1 54 GLN HA 1 58 ILE H . . 4.300 2.784 2.155 3.175 . 0 0 "[ . 1 . 2]" 1
1027 1 54 GLN HA 1 58 ILE HB . . 5.200 3.787 3.255 4.159 . 0 0 "[ . 1 . 2]" 1
1028 1 54 GLN HA 1 58 ILE QG . . 6.080 4.853 4.511 5.160 . 0 0 "[ . 1 . 2]" 1
1029 1 54 GLN HA 1 60 LYS H . . 5.200 5.195 4.922 5.277 0.077 6 0 "[ . 1 . 2]" 1
1030 1 54 GLN HA 1 63 ILE MD . . 5.320 3.422 2.954 4.175 . 0 0 "[ . 1 . 2]" 1
1031 1 54 GLN HG2 1 55 GLN H . . 5.700 5.015 4.677 5.250 . 0 0 "[ . 1 . 2]" 1
1032 1 54 GLN HG2 1 60 LYS HA . . 5.200 4.046 3.260 4.827 . 0 0 "[ . 1 . 2]" 1
1033 1 54 GLN HG2 1 63 ILE MD . . 5.320 3.008 2.179 4.204 . 0 0 "[ . 1 . 2]" 1
1034 1 54 GLN HG3 1 55 GLN H . . 5.700 4.829 4.490 5.142 . 0 0 "[ . 1 . 2]" 1
1035 1 54 GLN HG3 1 60 LYS HA . . 5.200 4.005 3.521 4.585 . 0 0 "[ . 1 . 2]" 1
1036 1 54 GLN HG3 1 63 ILE MD . . 5.320 3.013 2.088 3.926 . 0 0 "[ . 1 . 2]" 1
1037 1 54 GLN QB 1 55 GLN H . . 5.180 2.813 2.678 3.005 . 0 0 "[ . 1 . 2]" 1
1038 1 54 GLN QB 1 56 VAL H . . 6.080 4.943 4.763 5.120 . 0 0 "[ . 1 . 2]" 1
1039 1 54 GLN QB 1 63 ILE MD . . 7.100 3.957 2.682 4.956 . 0 0 "[ . 1 . 2]" 1
1040 1 54 GLN QG 1 58 ILE MG . . 7.100 4.562 3.587 5.081 . 0 0 "[ . 1 . 2]" 1
1041 1 54 GLN QG 1 63 ILE MD . . 6.200 2.474 2.055 3.507 . 0 0 "[ . 1 . 2]" 1
1042 1 55 GLN H 1 55 GLN HG2 . . 4.300 2.838 2.215 4.133 . 0 0 "[ . 1 . 2]" 1
1043 1 55 GLN H 1 55 GLN HG3 . . 4.300 3.358 2.493 4.359 0.059 11 0 "[ . 1 . 2]" 1
1044 1 55 GLN H 1 56 VAL H . . 3.300 2.810 2.667 3.015 . 0 0 "[ . 1 . 2]" 1
1045 1 55 GLN H 1 56 VAL MG1 . . 7.520 5.383 4.207 5.933 . 0 0 "[ . 1 . 2]" 1
1046 1 55 GLN H 1 56 VAL MG2 . . 7.520 4.851 4.105 6.156 . 0 0 "[ . 1 . 2]" 1
1047 1 55 GLN HA 1 56 VAL QG . . 7.300 4.915 4.593 5.177 . 0 0 "[ . 1 . 2]" 1
1048 1 55 GLN QB 1 56 VAL H . . 5.180 2.704 2.557 2.892 . 0 0 "[ . 1 . 2]" 1
1049 1 55 GLN QB 1 56 VAL HA . . 6.080 4.085 3.819 4.628 . 0 0 "[ . 1 . 2]" 1
1050 1 55 GLN QB 1 56 VAL MG1 . . 7.100 4.819 3.280 5.378 . 0 0 "[ . 1 . 2]" 1
1051 1 55 GLN QB 1 56 VAL MG2 . . 7.100 3.883 3.212 4.984 . 0 0 "[ . 1 . 2]" 1
1052 1 55 GLN QB 1 56 VAL QG . . 7.280 3.536 3.185 4.140 . 0 0 "[ . 1 . 2]" 1
1053 1 55 GLN QB 1 57 GLY H . . 6.080 4.668 4.561 4.796 . 0 0 "[ . 1 . 2]" 1
1054 1 55 GLN QG 1 56 VAL H . . 5.180 4.184 3.209 4.412 . 0 0 "[ . 1 . 2]" 1
1055 1 55 GLN QG 1 56 VAL QG . . 8.180 4.913 3.446 5.522 . 0 0 "[ . 1 . 2]" 1
1056 1 56 VAL H 1 56 VAL MG1 . . 4.320 3.258 2.209 3.731 . 0 0 "[ . 1 . 2]" 1
1057 1 56 VAL H 1 56 VAL MG2 . . 4.320 2.678 2.103 3.743 . 0 0 "[ . 1 . 2]" 1
1058 1 56 VAL H 1 57 GLY H . . 3.300 2.693 2.513 2.829 . 0 0 "[ . 1 . 2]" 1
1059 1 56 VAL H 1 57 GLY QA . . 6.080 4.550 4.447 4.714 . 0 0 "[ . 1 . 2]" 1
1060 1 56 VAL H 1 58 ILE H . . 5.200 4.248 3.907 4.634 . 0 0 "[ . 1 . 2]" 1
1061 1 56 VAL H 1 58 ILE MD . . 6.220 4.994 4.718 5.173 . 0 0 "[ . 1 . 2]" 1
1062 1 56 VAL HA 1 57 GLY QA . . 6.080 4.184 4.028 4.287 . 0 0 "[ . 1 . 2]" 1
1063 1 56 VAL HB 1 57 GLY H . . 5.200 3.404 2.819 4.232 . 0 0 "[ . 1 . 2]" 1
1064 1 56 VAL HB 1 58 ILE MD . . 6.220 3.724 2.998 5.078 . 0 0 "[ . 1 . 2]" 1
1065 1 56 VAL QG 1 57 GLY H . . 6.400 3.042 2.484 3.380 . 0 0 "[ . 1 . 2]" 1
1066 1 56 VAL QG 1 57 GLY QA . . 7.280 3.707 3.460 4.129 . 0 0 "[ . 1 . 2]" 1
1067 1 56 VAL QG 1 58 ILE H . . 6.400 3.398 2.920 3.973 . 0 0 "[ . 1 . 2]" 1
1068 1 56 VAL QG 1 58 ILE MD . . 6.420 2.523 2.147 3.077 . 0 0 "[ . 1 . 2]" 1
1069 1 56 VAL QG 1 58 ILE QG . . 8.180 2.490 2.044 2.984 . 0 0 "[ . 1 . 2]" 1
1070 1 57 GLY H 1 58 ILE H . . 4.300 2.049 1.933 2.279 . 0 0 "[ . 1 . 2]" 1
1071 1 57 GLY H 1 58 ILE HB . . 4.300 4.162 3.902 4.368 0.068 7 0 "[ . 1 . 2]" 1
1072 1 57 GLY H 1 58 ILE MD . . 5.320 4.279 3.815 4.425 . 0 0 "[ . 1 . 2]" 1
1073 1 57 GLY H 1 58 ILE QG . . 6.080 3.616 3.236 3.971 . 0 0 "[ . 1 . 2]" 1
1074 1 57 GLY QA 1 58 ILE MD . . 7.600 4.729 3.569 5.170 . 0 0 "[ . 1 . 2]" 1
1075 1 58 ILE H 1 58 ILE MD . . 5.320 3.400 2.675 4.150 . 0 0 "[ . 1 . 2]" 1
1076 1 58 ILE H 1 59 GLU H . . 5.200 4.602 4.347 4.715 . 0 0 "[ . 1 . 2]" 1
1077 1 58 ILE H 1 63 ILE MD . . 6.220 3.928 3.481 4.375 . 0 0 "[ . 1 . 2]" 1
1078 1 58 ILE HA 1 59 GLU H . . 3.300 2.523 2.321 2.803 . 0 0 "[ . 1 . 2]" 1
1079 1 58 ILE HB 1 59 GLU H . . 5.200 3.793 3.435 4.140 . 0 0 "[ . 1 . 2]" 1
1080 1 58 ILE MD 1 59 GLU H . . 6.220 4.798 4.202 5.236 . 0 0 "[ . 1 . 2]" 1
1081 1 58 ILE MD 1 62 ASN HB2 . . 6.220 5.107 5.035 5.142 . 0 0 "[ . 1 . 2]" 1
1082 1 58 ILE MD 1 62 ASN HB3 . . 6.220 4.782 4.161 5.055 . 0 0 "[ . 1 . 2]" 1
1083 1 58 ILE QG 1 59 GLU H . . 6.080 4.308 4.015 4.808 . 0 0 "[ . 1 . 2]" 1
1084 1 58 ILE QG 1 62 ASN HB2 . . 6.080 5.070 4.709 5.466 . 0 0 "[ . 1 . 2]" 1
1085 1 58 ILE QG 1 62 ASN HB3 . . 6.080 4.917 4.563 5.346 . 0 0 "[ . 1 . 2]" 1
1086 1 58 ILE MG 1 59 GLU H . . 4.320 2.112 1.777 2.486 . 0 0 "[ . 1 . 2]" 1
1087 1 58 ILE MG 1 60 LYS H . . 6.220 4.937 4.664 5.007 . 0 0 "[ . 1 . 2]" 1
1088 1 58 ILE MG 1 62 ASN H . . 6.220 3.963 3.715 4.166 . 0 0 "[ . 1 . 2]" 1
1089 1 58 ILE MG 1 62 ASN HA . . 6.220 4.332 4.204 4.423 . 0 0 "[ . 1 . 2]" 1
1090 1 58 ILE MG 1 62 ASN HB2 . . 5.320 2.190 2.047 2.460 . 0 0 "[ . 1 . 2]" 1
1091 1 58 ILE MG 1 62 ASN HB3 . . 5.320 2.416 1.945 2.696 . 0 0 "[ . 1 . 2]" 1
1092 1 58 ILE MG 1 63 ILE H . . 5.320 3.335 3.077 3.642 . 0 0 "[ . 1 . 2]" 1
1093 1 58 ILE MG 1 65 LYS H . . 7.520 6.205 6.024 6.342 . 0 0 "[ . 1 . 2]" 1
1094 1 59 GLU H 1 59 GLU HG2 . . 5.200 4.538 4.254 4.755 . 0 0 "[ . 1 . 2]" 1
1095 1 59 GLU H 1 59 GLU HG3 . . 5.200 4.623 4.029 4.931 . 0 0 "[ . 1 . 2]" 1
1096 1 59 GLU H 1 62 ASN HA . . 5.200 5.278 5.254 5.290 0.090 5 0 "[ . 1 . 2]" 1
1097 1 59 GLU HB2 1 60 LYS H . . 4.300 4.093 3.890 4.369 0.069 2 0 "[ . 1 . 2]" 1
1098 1 59 GLU HB3 1 60 LYS H . . 4.300 4.016 3.725 4.327 0.027 13 0 "[ . 1 . 2]" 1
1099 1 59 GLU HG2 1 60 LYS H . . 5.200 3.003 2.012 4.588 . 0 0 "[ . 1 . 2]" 1
1100 1 59 GLU HG2 1 60 LYS QE . . 6.080 4.150 1.911 5.327 . 0 0 "[ . 1 . 2]" 1
1101 1 59 GLU HG2 1 61 SER H . . 5.200 3.434 2.028 4.550 . 0 0 "[ . 1 . 2]" 1
1102 1 59 GLU HG3 1 60 LYS H . . 5.200 3.854 2.705 4.694 . 0 0 "[ . 1 . 2]" 1
1103 1 59 GLU HG3 1 60 LYS QE . . 6.080 4.706 3.047 5.512 . 0 0 "[ . 1 . 2]" 1
1104 1 59 GLU HG3 1 61 SER H . . 5.200 3.612 1.906 4.576 . 0 0 "[ . 1 . 2]" 1
1105 1 59 GLU QB 1 61 SER H . . 4.180 3.619 3.225 3.851 . 0 0 "[ . 1 . 2]" 1
1106 1 59 GLU QB 1 62 ASN H . . 6.080 2.865 2.176 3.176 . 0 0 "[ . 1 . 2]" 1
1107 1 59 GLU QB 1 62 ASN HA . . 6.080 4.764 4.208 5.187 . 0 0 "[ . 1 . 2]" 1
1108 1 59 GLU QG 1 60 LYS H . . 5.180 2.689 2.002 3.617 . 0 0 "[ . 1 . 2]" 1
1109 1 59 GLU QG 1 60 LYS QE . . 6.960 3.821 1.899 4.776 . 0 0 "[ . 1 . 2]" 1
1110 1 59 GLU QG 1 60 LYS QG . . 6.070 3.851 2.589 4.724 . 0 0 "[ . 1 . 2]" 1
1111 1 59 GLU QG 1 62 ASN H . . 6.080 3.749 1.993 4.826 . 0 0 "[ . 1 . 2]" 1
1112 1 60 LYS H 1 62 ASN H . . 5.200 4.417 4.121 4.797 . 0 0 "[ . 1 . 2]" 1
1113 1 60 LYS H 1 63 ILE H . . 5.200 4.845 4.563 5.140 . 0 0 "[ . 1 . 2]" 1
1114 1 60 LYS H 1 63 ILE MD . . 6.220 3.693 2.994 5.226 . 0 0 "[ . 1 . 2]" 1
1115 1 60 LYS HA 1 62 ASN H . . 5.200 4.430 4.050 4.811 . 0 0 "[ . 1 . 2]" 1
1116 1 60 LYS HA 1 63 ILE H . . 5.200 3.532 2.885 3.874 . 0 0 "[ . 1 . 2]" 1
1117 1 60 LYS HA 1 63 ILE MD . . 5.320 2.583 1.993 4.567 . 0 0 "[ . 1 . 2]" 1
1118 1 60 LYS QB 1 61 SER H . . 5.180 2.748 1.975 3.729 . 0 0 "[ . 1 . 2]" 1
1119 1 60 LYS QD 1 61 SER H . . 5.180 4.125 2.919 4.671 . 0 0 "[ . 1 . 2]" 1
1120 1 60 LYS QE 1 61 SER H . . 5.180 3.411 2.161 4.548 . 0 0 "[ . 1 . 2]" 1
1121 1 60 LYS QG 1 61 SER H . . 6.080 3.108 2.100 4.333 . 0 0 "[ . 1 . 2]" 1
1122 1 60 LYS QG 1 61 SER HA . . 6.080 4.166 3.022 5.529 . 0 0 "[ . 1 . 2]" 1
1123 1 60 LYS QG 1 61 SER QB . . 6.070 4.178 2.892 4.981 . 0 0 "[ . 1 . 2]" 1
1124 1 61 SER H 1 62 ASN H . . 5.200 2.571 2.268 2.841 . 0 0 "[ . 1 . 2]" 1
1125 1 61 SER H 1 63 ILE H . . 5.200 4.056 3.778 4.309 . 0 0 "[ . 1 . 2]" 1
1126 1 61 SER HA 1 63 ILE H . . 5.200 4.045 3.540 4.458 . 0 0 "[ . 1 . 2]" 1
1127 1 61 SER HA 1 64 GLU H . . 4.300 3.211 2.641 3.680 . 0 0 "[ . 1 . 2]" 1
1128 1 61 SER HA 1 64 GLU QG . . 5.180 2.915 1.828 4.095 . 0 0 "[ . 1 . 2]" 1
1129 1 61 SER QB 1 62 ASN H . . 6.080 3.065 2.619 3.793 . 0 0 "[ . 1 . 2]" 1
1130 1 61 SER QB 1 64 GLU H . . 6.080 4.816 4.451 5.237 . 0 0 "[ . 1 . 2]" 1
1131 1 62 ASN H 1 63 ILE H . . 4.300 2.635 2.336 2.940 . 0 0 "[ . 1 . 2]" 1
1132 1 62 ASN H 1 63 ILE MG . . 7.520 5.880 5.583 6.224 . 0 0 "[ . 1 . 2]" 1
1133 1 62 ASN H 1 64 GLU H . . 5.200 3.971 3.689 4.218 . 0 0 "[ . 1 . 2]" 1
1134 1 62 ASN H 1 64 GLU QG . . 6.080 5.014 4.255 5.545 . 0 0 "[ . 1 . 2]" 1
1135 1 62 ASN HA 1 64 GLU H . . 5.200 4.365 4.103 4.533 . 0 0 "[ . 1 . 2]" 1
1136 1 62 ASN HA 1 65 LYS H . . 4.300 3.610 3.317 3.831 . 0 0 "[ . 1 . 2]" 1
1137 1 62 ASN HA 1 65 LYS QB . . 5.180 3.807 2.085 4.442 . 0 0 "[ . 1 . 2]" 1
1138 1 62 ASN HA 1 65 LYS QE . . 5.180 3.833 1.964 4.756 . 0 0 "[ . 1 . 2]" 1
1139 1 62 ASN HA 1 66 LEU H . . 5.200 3.833 3.552 4.169 . 0 0 "[ . 1 . 2]" 1
1140 1 62 ASN HA 1 66 LEU QD . . 7.300 3.797 2.938 4.867 . 0 0 "[ . 1 . 2]" 1
1141 1 62 ASN HB2 1 63 ILE H . . 4.300 3.009 2.770 3.439 . 0 0 "[ . 1 . 2]" 1
1142 1 62 ASN HB2 1 64 GLU H . . 5.200 5.059 4.736 5.294 0.094 3 0 "[ . 1 . 2]" 1
1143 1 62 ASN HB2 1 66 LEU QD . . 7.300 4.248 3.329 5.246 . 0 0 "[ . 1 . 2]" 1
1144 1 62 ASN HB3 1 63 ILE H . . 4.300 3.506 2.754 3.935 . 0 0 "[ . 1 . 2]" 1
1145 1 62 ASN HB3 1 64 GLU H . . 5.200 5.227 4.710 5.296 0.096 17 0 "[ . 1 . 2]" 1
1146 1 62 ASN HB3 1 66 LEU QD . . 7.300 2.985 2.149 4.010 . 0 0 "[ . 1 . 2]" 1
1147 1 63 ILE H 1 63 ILE HB . . 3.300 2.358 2.223 2.564 . 0 0 "[ . 1 . 2]" 1
1148 1 63 ILE H 1 63 ILE MD . . 5.320 3.114 2.797 3.533 . 0 0 "[ . 1 . 2]" 1
1149 1 63 ILE H 1 64 GLU H . . 4.300 2.291 1.982 2.622 . 0 0 "[ . 1 . 2]" 1
1150 1 63 ILE H 1 64 GLU HA . . 5.200 5.019 4.781 5.257 0.057 1 0 "[ . 1 . 2]" 1
1151 1 63 ILE H 1 64 GLU HG2 . . 5.200 4.954 4.010 5.291 0.091 9 0 "[ . 1 . 2]" 1
1152 1 63 ILE H 1 64 GLU HG3 . . 5.200 4.305 3.667 5.285 0.085 7 0 "[ . 1 . 2]" 1
1153 1 63 ILE H 1 65 LYS H . . 5.200 4.077 3.689 4.358 . 0 0 "[ . 1 . 2]" 1
1154 1 63 ILE H 1 66 LEU QD . . 7.300 4.612 3.661 5.353 . 0 0 "[ . 1 . 2]" 1
1155 1 63 ILE HA 1 65 LYS H . . 5.200 4.682 4.295 4.923 . 0 0 "[ . 1 . 2]" 1
1156 1 63 ILE HA 1 65 LYS QG . . 6.080 4.992 4.727 5.401 . 0 0 "[ . 1 . 2]" 1
1157 1 63 ILE HA 1 66 LEU H . . 4.300 3.474 3.101 4.028 . 0 0 "[ . 1 . 2]" 1
1158 1 63 ILE HA 1 66 LEU MD1 . . 6.220 3.837 2.224 5.291 . 0 0 "[ . 1 . 2]" 1
1159 1 63 ILE HA 1 66 LEU MD2 . . 6.220 4.545 3.495 5.295 . 0 0 "[ . 1 . 2]" 1
1160 1 63 ILE HA 1 66 LEU QD . . 6.400 3.275 2.220 4.093 . 0 0 "[ . 1 . 2]" 1
1161 1 63 ILE HA 1 67 LEU H . . 5.200 3.604 3.248 3.923 . 0 0 "[ . 1 . 2]" 1
1162 1 63 ILE HB 1 64 GLU H . . 3.300 2.728 2.408 2.963 . 0 0 "[ . 1 . 2]" 1
1163 1 63 ILE MG 1 64 GLU H . . 5.320 3.550 3.335 3.763 . 0 0 "[ . 1 . 2]" 1
1164 1 63 ILE MG 1 64 GLU HA . . 5.320 3.595 3.264 3.917 . 0 0 "[ . 1 . 2]" 1
1165 1 63 ILE MG 1 64 GLU QG . . 6.200 3.645 2.556 4.493 . 0 0 "[ . 1 . 2]" 1
1166 1 63 ILE MG 1 65 LYS H . . 6.720 5.313 5.116 5.478 . 0 0 "[ . 1 . 2]" 1
1167 1 63 ILE MG 1 67 LEU H . . 6.220 3.832 3.494 4.071 . 0 0 "[ . 1 . 2]" 1
1168 1 63 ILE MG 1 67 LEU HG . . 4.320 2.908 2.338 3.633 . 0 0 "[ . 1 . 2]" 1
1169 1 63 ILE MG 1 67 LEU MD1 . . 6.340 2.330 1.967 4.032 . 0 0 "[ . 1 . 2]" 1
1170 1 63 ILE MG 1 67 LEU MD2 . . 6.340 3.004 1.833 3.819 . 0 0 "[ . 1 . 2]" 1
1171 1 63 ILE MG 1 67 LEU QD . . 5.820 2.014 1.691 2.504 . 0 0 "[ . 1 . 2]" 1
1172 1 64 GLU H 1 64 GLU HG2 . . 4.300 3.082 2.191 3.681 . 0 0 "[ . 1 . 2]" 1
1173 1 64 GLU H 1 64 GLU HG3 . . 4.300 2.598 1.907 3.416 . 0 0 "[ . 1 . 2]" 1
1174 1 64 GLU H 1 64 GLU QG . . 4.180 2.260 1.897 2.619 . 0 0 "[ . 1 . 2]" 1
1175 1 64 GLU H 1 65 LYS H . . 4.300 2.667 2.466 2.738 . 0 0 "[ . 1 . 2]" 1
1176 1 64 GLU H 1 65 LYS HA . . 5.200 5.262 5.125 5.288 0.088 6 0 "[ . 1 . 2]" 1
1177 1 64 GLU H 1 65 LYS QB . . 6.080 4.864 3.852 5.479 . 0 0 "[ . 1 . 2]" 1
1178 1 64 GLU H 1 65 LYS QG . . 6.080 4.392 3.921 5.462 . 0 0 "[ . 1 . 2]" 1
1179 1 64 GLU H 1 67 LEU QD . . 7.300 4.200 3.823 4.981 . 0 0 "[ . 1 . 2]" 1
1180 1 64 GLU HA 1 66 LEU H . . 5.200 4.589 4.274 5.024 . 0 0 "[ . 1 . 2]" 1
1181 1 64 GLU HB2 1 65 LYS H . . 4.300 2.671 2.274 3.959 . 0 0 "[ . 1 . 2]" 1
1182 1 64 GLU HB3 1 65 LYS H . . 4.300 3.629 3.435 4.221 . 0 0 "[ . 1 . 2]" 1
1183 1 64 GLU HG2 1 65 LYS H . . 5.200 4.707 3.464 5.035 . 0 0 "[ . 1 . 2]" 1
1184 1 64 GLU HG3 1 65 LYS H . . 5.200 4.279 2.608 5.144 . 0 0 "[ . 1 . 2]" 1
1185 1 64 GLU QG 1 65 LYS H . . 5.180 3.923 2.536 4.394 . 0 0 "[ . 1 . 2]" 1
1186 1 64 GLU QG 1 67 LEU QD . . 9.480 3.778 2.448 4.964 . 0 0 "[ . 1 . 2]" 1
1187 1 65 LYS H 1 65 LYS HG2 . . 5.200 2.878 2.144 4.193 . 0 0 "[ . 1 . 2]" 1
1188 1 65 LYS H 1 65 LYS HG3 . . 5.200 3.244 2.027 4.432 . 0 0 "[ . 1 . 2]" 1
1189 1 65 LYS H 1 65 LYS QD . . 5.180 3.975 3.343 4.535 . 0 0 "[ . 1 . 2]" 1
1190 1 65 LYS H 1 66 LEU H . . 4.300 2.784 2.601 3.127 . 0 0 "[ . 1 . 2]" 1
1191 1 65 LYS H 1 66 LEU QD . . 7.300 4.874 4.219 5.603 . 0 0 "[ . 1 . 2]" 1
1192 1 65 LYS H 1 67 LEU H . . 5.200 4.502 4.340 4.686 . 0 0 "[ . 1 . 2]" 1
1193 1 65 LYS HA 1 68 THR H . . 4.300 3.453 3.152 3.809 . 0 0 "[ . 1 . 2]" 1
1194 1 65 LYS HA 1 68 THR MG . . 6.220 3.759 3.498 4.091 . 0 0 "[ . 1 . 2]" 1
1195 1 65 LYS HG2 1 66 LEU H . . 4.300 3.277 2.305 4.388 0.088 14 0 "[ . 1 . 2]" 1
1196 1 65 LYS HG3 1 66 LEU H . . 4.300 3.030 2.297 3.915 . 0 0 "[ . 1 . 2]" 1
1197 1 65 LYS QB 1 66 LEU H . . 5.180 3.349 1.909 3.729 . 0 0 "[ . 1 . 2]" 1
1198 1 65 LYS QD 1 66 LEU H . . 6.080 4.076 2.868 4.811 . 0 0 "[ . 1 . 2]" 1
1199 1 65 LYS QG 1 66 LEU H . . 4.180 2.578 2.247 3.657 . 0 0 "[ . 1 . 2]" 1
1200 1 66 LEU H 1 66 LEU HG . . 5.200 3.343 2.487 4.708 . 0 0 "[ . 1 . 2]" 1
1201 1 66 LEU H 1 66 LEU MD1 . . 5.320 3.706 2.552 4.218 . 0 0 "[ . 1 . 2]" 1
1202 1 66 LEU H 1 66 LEU MD2 . . 5.320 3.514 2.567 4.168 . 0 0 "[ . 1 . 2]" 1
1203 1 66 LEU H 1 67 LEU H . . 4.300 2.878 2.685 3.132 . 0 0 "[ . 1 . 2]" 1
1204 1 66 LEU H 1 67 LEU QD . . 7.300 4.754 3.889 5.093 . 0 0 "[ . 1 . 2]" 1
1205 1 66 LEU H 1 68 THR H . . 5.200 4.081 3.822 4.346 . 0 0 "[ . 1 . 2]" 1
1206 1 66 LEU HA 1 69 ASP H . . 4.300 3.257 2.954 3.675 . 0 0 "[ . 1 . 2]" 1
1207 1 66 LEU HA 1 69 ASP HB2 . . 4.300 3.148 2.168 4.218 . 0 0 "[ . 1 . 2]" 1
1208 1 66 LEU HA 1 69 ASP HB3 . . 4.300 3.106 2.346 4.261 . 0 0 "[ . 1 . 2]" 1
1209 1 66 LEU HA 1 70 MET H . . 5.200 3.811 3.564 4.127 . 0 0 "[ . 1 . 2]" 1
1210 1 66 LEU HA 1 70 MET QG . . 6.080 3.701 3.232 4.075 . 0 0 "[ . 1 . 2]" 1
1211 1 66 LEU HG 1 67 LEU H . . 5.200 4.772 4.414 5.201 0.001 2 0 "[ . 1 . 2]" 1
1212 1 66 LEU QD 1 67 LEU H . . 7.300 4.054 3.132 4.300 . 0 0 "[ . 1 . 2]" 1
1213 1 66 LEU QD 1 69 ASP H . . 7.300 4.542 4.098 5.006 . 0 0 "[ . 1 . 2]" 1
1214 1 66 LEU QD 1 69 ASP HB2 . . 7.800 3.888 2.760 4.798 . 0 0 "[ . 1 . 2]" 1
1215 1 66 LEU QD 1 69 ASP HB3 . . 7.800 3.598 2.957 4.726 . 0 0 "[ . 1 . 2]" 1
1216 1 66 LEU QD 1 70 MET ME . . 7.420 2.998 1.977 3.999 . 0 0 "[ . 1 . 2]" 1
1217 1 67 LEU H 1 67 LEU HG . . 4.300 2.699 2.319 3.852 . 0 0 "[ . 1 . 2]" 1
1218 1 67 LEU H 1 67 LEU MD1 . . 5.320 3.287 2.045 4.176 . 0 0 "[ . 1 . 2]" 1
1219 1 67 LEU H 1 67 LEU MD2 . . 5.320 3.568 2.341 3.861 . 0 0 "[ . 1 . 2]" 1
1220 1 67 LEU H 1 68 THR H . . 4.300 2.789 2.692 2.897 . 0 0 "[ . 1 . 2]" 1
1221 1 67 LEU H 1 76 ILE MD . . 6.220 4.835 4.583 5.186 . 0 0 "[ . 1 . 2]" 1
1222 1 67 LEU HA 1 70 MET H . . 4.300 3.554 2.947 3.951 . 0 0 "[ . 1 . 2]" 1
1223 1 67 LEU HA 1 70 MET QB . . 5.180 2.606 2.089 4.288 . 0 0 "[ . 1 . 2]" 1
1224 1 67 LEU HA 1 70 MET QG . . 6.080 2.962 2.137 3.748 . 0 0 "[ . 1 . 2]" 1
1225 1 67 LEU HA 1 71 ARG H . . 5.200 3.899 3.753 4.044 . 0 0 "[ . 1 . 2]" 1
1226 1 67 LEU HA 1 76 ILE MD . . 5.320 2.511 2.156 2.905 . 0 0 "[ . 1 . 2]" 1
1227 1 67 LEU HA 1 76 ILE MG . . 6.220 4.686 4.359 5.076 . 0 0 "[ . 1 . 2]" 1
1228 1 67 LEU HB2 1 68 THR H . . 4.300 2.765 2.422 4.226 . 0 0 "[ . 1 . 2]" 1
1229 1 67 LEU HB3 1 68 THR H . . 4.300 3.551 3.285 4.290 . 0 0 "[ . 1 . 2]" 1
1230 1 67 LEU HG 1 68 THR H . . 5.200 4.514 2.784 5.266 0.066 14 0 "[ . 1 . 2]" 1
1231 1 67 LEU QB 1 68 THR H . . 4.180 2.657 2.371 3.793 . 0 0 "[ . 1 . 2]" 1
1232 1 67 LEU QB 1 70 MET QG . . 6.960 4.770 3.709 5.425 . 0 0 "[ . 1 . 2]" 1
1233 1 67 LEU QB 1 71 ARG H . . 6.080 4.583 4.309 4.885 . 0 0 "[ . 1 . 2]" 1
1234 1 67 LEU QB 1 76 ILE MD . . 7.100 2.994 2.212 3.301 . 0 0 "[ . 1 . 2]" 1
1235 1 67 LEU MD1 1 68 THR H . . 6.220 4.245 2.682 4.813 . 0 0 "[ . 1 . 2]" 1
1236 1 67 LEU MD1 1 84 TYR QD . . 8.350 3.765 2.383 5.317 . 0 0 "[ . 1 . 2]" 1
1237 1 67 LEU MD1 1 84 TYR QE . . 8.350 3.413 2.305 5.580 . 0 0 "[ . 1 . 2]" 1
1238 1 67 LEU MD2 1 68 THR H . . 6.220 4.689 4.348 4.910 . 0 0 "[ . 1 . 2]" 1
1239 1 67 LEU MD2 1 84 TYR QD . . 8.350 3.324 2.481 4.688 . 0 0 "[ . 1 . 2]" 1
1240 1 67 LEU MD2 1 84 TYR QE . . 8.350 3.649 2.196 4.874 . 0 0 "[ . 1 . 2]" 1
1241 1 67 LEU QD 1 68 THR H . . 6.400 3.915 2.661 4.204 . 0 0 "[ . 1 . 2]" 1
1242 1 67 LEU QD 1 70 MET H . . 7.300 5.041 4.656 5.393 . 0 0 "[ . 1 . 2]" 1
1243 1 67 LEU QD 1 70 MET QG . . 8.180 4.019 3.046 4.846 . 0 0 "[ . 1 . 2]" 1
1244 1 67 LEU QD 1 71 ARG H . . 7.300 4.870 4.179 5.557 . 0 0 "[ . 1 . 2]" 1
1245 1 67 LEU QD 1 76 ILE MD . . 6.420 2.442 2.047 3.595 . 0 0 "[ . 1 . 2]" 1
1246 1 67 LEU QD 1 76 ILE MG . . 9.620 4.100 3.581 5.199 . 0 0 "[ . 1 . 2]" 1
1247 1 67 LEU QD 1 84 TYR HB2 . . 7.800 3.375 2.687 5.469 . 0 0 "[ . 1 . 2]" 1
1248 1 67 LEU QD 1 84 TYR HB3 . . 7.800 3.829 3.134 5.967 . 0 0 "[ . 1 . 2]" 1
1249 1 67 LEU QD 1 84 TYR QD . . 8.520 3.013 2.239 4.304 . 0 0 "[ . 1 . 2]" 1
1250 1 67 LEU QD 1 84 TYR QE . . 8.530 3.001 2.100 4.438 . 0 0 "[ . 1 . 2]" 1
1251 1 68 THR H 1 68 THR HB . . 3.300 2.481 2.373 2.609 . 0 0 "[ . 1 . 2]" 1
1252 1 68 THR H 1 69 ASP H . . 4.300 2.799 2.559 2.923 . 0 0 "[ . 1 . 2]" 1
1253 1 68 THR H 1 70 MET H . . 5.200 4.176 3.926 4.541 . 0 0 "[ . 1 . 2]" 1
1254 1 68 THR H 1 76 ILE MD . . 6.220 4.988 4.829 5.102 . 0 0 "[ . 1 . 2]" 1
1255 1 68 THR HA 1 71 ARG H . . 4.300 3.602 3.360 3.825 . 0 0 "[ . 1 . 2]" 1
1256 1 68 THR HA 1 71 ARG HB2 . . 5.200 5.063 4.702 5.258 0.058 20 0 "[ . 1 . 2]" 1
1257 1 68 THR HA 1 71 ARG HB3 . . 5.200 4.332 3.108 4.583 . 0 0 "[ . 1 . 2]" 1
1258 1 68 THR HA 1 71 ARG HD2 . . 5.200 4.274 3.897 4.901 . 0 0 "[ . 1 . 2]" 1
1259 1 68 THR HA 1 71 ARG HD3 . . 5.200 4.366 3.727 5.204 0.004 20 0 "[ . 1 . 2]" 1
1260 1 68 THR HA 1 71 ARG QB . . 6.080 4.090 3.067 4.278 . 0 0 "[ . 1 . 2]" 1
1261 1 68 THR HA 1 71 ARG QD . . 6.080 3.820 3.491 4.432 . 0 0 "[ . 1 . 2]" 1
1262 1 68 THR HA 1 71 ARG QG . . 4.180 2.235 2.049 3.394 . 0 0 "[ . 1 . 2]" 1
1263 1 68 THR HB 1 69 ASP H . . 4.300 2.600 2.299 2.867 . 0 0 "[ . 1 . 2]" 1
1264 1 68 THR MG 1 69 ASP H . . 5.320 3.332 2.924 3.664 . 0 0 "[ . 1 . 2]" 1
1265 1 68 THR MG 1 71 ARG H . . 6.220 4.899 4.692 5.069 . 0 0 "[ . 1 . 2]" 1
1266 1 68 THR MG 1 71 ARG QB . . 7.100 5.174 4.510 5.232 . 0 0 "[ . 1 . 2]" 1
1267 1 68 THR MG 1 72 LYS H . . 6.220 4.109 3.768 4.409 . 0 0 "[ . 1 . 2]" 1
1268 1 68 THR MG 1 72 LYS QB . . 7.100 3.118 2.428 3.726 . 0 0 "[ . 1 . 2]" 1
1269 1 68 THR MG 1 72 LYS QD . . 6.200 3.355 2.257 4.353 . 0 0 "[ . 1 . 2]" 1
1270 1 68 THR MG 1 72 LYS QE . . 6.200 4.157 2.140 4.693 . 0 0 "[ . 1 . 2]" 1
1271 1 69 ASP H 1 70 MET H . . 4.300 2.661 2.438 2.897 . 0 0 "[ . 1 . 2]" 1
1272 1 69 ASP H 1 70 MET HG2 . . 5.200 5.019 3.928 5.288 0.088 13 0 "[ . 1 . 2]" 1
1273 1 69 ASP H 1 70 MET HG3 . . 5.200 4.800 4.174 5.287 0.087 10 0 "[ . 1 . 2]" 1
1274 1 69 ASP H 1 70 MET QB . . 6.080 4.651 4.328 5.516 . 0 0 "[ . 1 . 2]" 1
1275 1 69 ASP H 1 71 ARG H . . 5.200 4.395 4.040 4.632 . 0 0 "[ . 1 . 2]" 1
1276 1 69 ASP HA 1 70 MET ME . . 8.920 6.892 4.309 7.475 . 0 0 "[ . 1 . 2]" 1
1277 1 69 ASP HA 1 71 ARG H . . 5.200 4.770 4.374 4.990 . 0 0 "[ . 1 . 2]" 1
1278 1 69 ASP HA 1 72 LYS H . . 4.300 3.542 2.996 3.929 . 0 0 "[ . 1 . 2]" 1
1279 1 69 ASP HA 1 72 LYS QB . . 5.180 2.593 2.105 2.935 . 0 0 "[ . 1 . 2]" 1
1280 1 69 ASP HA 1 72 LYS QG . . 6.080 3.996 1.880 4.989 . 0 0 "[ . 1 . 2]" 1
1281 1 69 ASP HA 1 73 SER H . . 5.200 3.874 3.528 4.195 . 0 0 "[ . 1 . 2]" 1
1282 1 69 ASP HB2 1 70 MET H . . 4.300 3.435 2.296 4.086 . 0 0 "[ . 1 . 2]" 1
1283 1 69 ASP HB3 1 70 MET H . . 4.300 2.831 2.395 3.398 . 0 0 "[ . 1 . 2]" 1
1284 1 70 MET H 1 70 MET HG2 . . 4.300 2.679 2.011 3.030 . 0 0 "[ . 1 . 2]" 1
1285 1 70 MET H 1 70 MET HG3 . . 4.300 2.707 2.230 3.354 . 0 0 "[ . 1 . 2]" 1
1286 1 70 MET H 1 70 MET ME . . 6.220 4.419 2.823 4.765 . 0 0 "[ . 1 . 2]" 1
1287 1 70 MET H 1 71 ARG H . . 4.300 2.935 2.810 3.042 . 0 0 "[ . 1 . 2]" 1
1288 1 70 MET H 1 72 LYS H . . 4.300 4.039 3.783 4.221 . 0 0 "[ . 1 . 2]" 1
1289 1 70 MET H 1 72 LYS QB . . 6.080 4.850 4.490 5.189 . 0 0 "[ . 1 . 2]" 1
1290 1 70 MET H 1 76 ILE MD . . 6.220 4.198 4.093 4.319 . 0 0 "[ . 1 . 2]" 1
1291 1 70 MET HA 1 70 MET ME . . 5.320 3.995 2.301 4.271 . 0 0 "[ . 1 . 2]" 1
1292 1 70 MET HA 1 73 SER H . . 4.300 3.564 3.176 3.761 . 0 0 "[ . 1 . 2]" 1
1293 1 70 MET HA 1 75 ILE HB . . 4.300 2.556 2.165 3.291 . 0 0 "[ . 1 . 2]" 1
1294 1 70 MET HA 1 75 ILE MD . . 4.320 2.565 2.074 3.522 . 0 0 "[ . 1 . 2]" 1
1295 1 70 MET HA 1 75 ILE QG . . 6.080 2.910 1.919 3.697 . 0 0 "[ . 1 . 2]" 1
1296 1 70 MET HA 1 75 ILE MG . . 6.220 3.837 3.511 4.181 . 0 0 "[ . 1 . 2]" 1
1297 1 70 MET HA 1 76 ILE H . . 5.200 4.045 3.818 4.297 . 0 0 "[ . 1 . 2]" 1
1298 1 70 MET HA 1 76 ILE MD . . 6.220 4.564 4.387 4.971 . 0 0 "[ . 1 . 2]" 1
1299 1 70 MET HB2 1 76 ILE MG . . 6.220 3.366 2.356 3.746 . 0 0 "[ . 1 . 2]" 1
1300 1 70 MET HB3 1 76 ILE MG . . 6.220 2.370 2.113 3.626 . 0 0 "[ . 1 . 2]" 1
1301 1 70 MET HG2 1 71 ARG H . . 5.200 4.691 4.091 4.895 . 0 0 "[ . 1 . 2]" 1
1302 1 70 MET HG2 1 75 ILE MD . . 6.220 3.010 2.223 4.625 . 0 0 "[ . 1 . 2]" 1
1303 1 70 MET HG2 1 75 ILE MG . . 6.220 3.724 2.875 4.998 . 0 0 "[ . 1 . 2]" 1
1304 1 70 MET HG2 1 76 ILE MD . . 6.220 4.332 3.671 4.638 . 0 0 "[ . 1 . 2]" 1
1305 1 70 MET HG3 1 71 ARG H . . 5.200 4.479 3.031 4.837 . 0 0 "[ . 1 . 2]" 1
1306 1 70 MET HG3 1 75 ILE MD . . 6.220 4.312 3.804 5.232 . 0 0 "[ . 1 . 2]" 1
1307 1 70 MET HG3 1 75 ILE MG . . 6.220 4.351 3.933 4.591 . 0 0 "[ . 1 . 2]" 1
1308 1 70 MET HG3 1 76 ILE MD . . 6.220 3.504 2.270 3.805 . 0 0 "[ . 1 . 2]" 1
1309 1 70 MET QB 1 71 ARG H . . 4.180 2.538 2.336 3.498 . 0 0 "[ . 1 . 2]" 1
1310 1 70 MET QB 1 75 ILE H . . 6.080 3.828 3.431 4.122 . 0 0 "[ . 1 . 2]" 1
1311 1 70 MET QB 1 75 ILE HB . . 5.180 2.217 1.988 2.359 . 0 0 "[ . 1 . 2]" 1
1312 1 70 MET QB 1 75 ILE MD . . 6.200 3.516 2.407 4.360 . 0 0 "[ . 1 . 2]" 1
1313 1 70 MET QB 1 75 ILE MG . . 5.200 2.983 2.311 3.276 . 0 0 "[ . 1 . 2]" 1
1314 1 70 MET QB 1 76 ILE H . . 5.180 3.148 2.857 3.632 . 0 0 "[ . 1 . 2]" 1
1315 1 70 MET QB 1 76 ILE MD . . 5.200 2.172 2.016 3.061 . 0 0 "[ . 1 . 2]" 1
1316 1 70 MET ME 1 75 ILE MD . . 4.740 2.784 2.196 3.176 . 0 0 "[ . 1 . 2]" 1
1317 1 70 MET ME 1 75 ILE QG . . 6.200 4.038 2.346 4.618 . 0 0 "[ . 1 . 2]" 1
1318 1 70 MET ME 1 75 ILE MG . . 6.340 2.583 2.011 3.612 . 0 0 "[ . 1 . 2]" 1
1319 1 70 MET ME 1 76 ILE MG . . 7.240 3.847 2.577 4.859 . 0 0 "[ . 1 . 2]" 1
1320 1 70 MET QG 1 71 ARG H . . 6.080 4.057 2.954 4.249 . 0 0 "[ . 1 . 2]" 1
1321 1 70 MET QG 1 75 ILE MD . . 6.200 2.929 2.209 4.294 . 0 0 "[ . 1 . 2]" 1
1322 1 70 MET QG 1 75 ILE MG . . 7.100 3.468 2.827 4.245 . 0 0 "[ . 1 . 2]" 1
1323 1 70 MET QG 1 76 ILE MD . . 6.200 3.356 2.249 3.612 . 0 0 "[ . 1 . 2]" 1
1324 1 70 MET QG 1 76 ILE MG . . 7.100 3.827 3.319 4.444 . 0 0 "[ . 1 . 2]" 1
1325 1 71 ARG H 1 71 ARG QD . . 6.080 4.245 3.873 4.509 . 0 0 "[ . 1 . 2]" 1
1326 1 71 ARG H 1 72 LYS H . . 3.300 2.639 2.519 2.691 . 0 0 "[ . 1 . 2]" 1
1327 1 71 ARG H 1 72 LYS HA . . 5.200 5.265 5.246 5.276 0.076 9 0 "[ . 1 . 2]" 1
1328 1 71 ARG H 1 73 SER H . . 5.200 4.242 3.992 4.395 . 0 0 "[ . 1 . 2]" 1
1329 1 71 ARG H 1 74 GLY H . . 5.200 4.746 4.629 4.944 . 0 0 "[ . 1 . 2]" 1
1330 1 71 ARG H 1 75 ILE MG . . 7.520 5.873 5.673 6.091 . 0 0 "[ . 1 . 2]" 1
1331 1 71 ARG H 1 76 ILE H . . 4.300 4.372 4.363 4.384 0.084 18 0 "[ . 1 . 2]" 1
1332 1 71 ARG H 1 76 ILE HG12 . . 5.200 2.912 2.784 3.023 . 0 0 "[ . 1 . 2]" 1
1333 1 71 ARG H 1 76 ILE HG13 . . 5.200 3.662 3.232 3.930 . 0 0 "[ . 1 . 2]" 1
1334 1 71 ARG H 1 76 ILE MD . . 5.320 3.062 2.848 3.273 . 0 0 "[ . 1 . 2]" 1
1335 1 71 ARG HA 1 71 ARG HD2 . . 5.200 4.684 3.701 5.166 . 0 0 "[ . 1 . 2]" 1
1336 1 71 ARG HA 1 71 ARG HD3 . . 5.200 4.582 4.046 4.928 . 0 0 "[ . 1 . 2]" 1
1337 1 71 ARG HA 1 75 ILE H . . 5.200 3.947 3.713 4.234 . 0 0 "[ . 1 . 2]" 1
1338 1 71 ARG HA 1 75 ILE MG . . 7.520 5.826 5.629 6.003 . 0 0 "[ . 1 . 2]" 1
1339 1 71 ARG HA 1 76 ILE H . . 4.300 2.866 2.632 3.073 . 0 0 "[ . 1 . 2]" 1
1340 1 71 ARG HA 1 76 ILE HG12 . . 4.300 2.808 2.566 3.123 . 0 0 "[ . 1 . 2]" 1
1341 1 71 ARG HA 1 76 ILE HG13 . . 4.300 2.993 2.335 3.502 . 0 0 "[ . 1 . 2]" 1
1342 1 71 ARG HA 1 76 ILE MD . . 5.320 4.022 3.733 4.399 . 0 0 "[ . 1 . 2]" 1
1343 1 71 ARG HA 1 76 ILE MG . . 6.220 4.688 4.457 4.978 . 0 0 "[ . 1 . 2]" 1
1344 1 71 ARG HB2 1 76 ILE MD . . 6.220 4.325 3.256 4.662 . 0 0 "[ . 1 . 2]" 1
1345 1 71 ARG HB2 1 77 TYR HA . . 5.200 2.737 2.347 3.118 . 0 0 "[ . 1 . 2]" 1
1346 1 71 ARG HB2 1 78 GLU HA . . 5.200 5.111 4.116 5.283 0.083 7 0 "[ . 1 . 2]" 1
1347 1 71 ARG HB2 1 84 TYR QE . . 7.330 3.890 2.755 4.716 . 0 0 "[ . 1 . 2]" 1
1348 1 71 ARG HB3 1 76 ILE MD . . 6.220 2.920 2.630 3.273 . 0 0 "[ . 1 . 2]" 1
1349 1 71 ARG HB3 1 77 TYR HA . . 5.200 3.515 2.801 4.146 . 0 0 "[ . 1 . 2]" 1
1350 1 71 ARG HB3 1 78 GLU HA . . 5.200 5.081 4.587 5.288 0.088 16 0 "[ . 1 . 2]" 1
1351 1 71 ARG HB3 1 84 TYR QE . . 7.330 3.030 2.202 4.126 . 0 0 "[ . 1 . 2]" 1
1352 1 71 ARG HD2 1 77 TYR HA . . 5.200 5.166 4.611 5.287 0.087 15 0 "[ . 1 . 2]" 1
1353 1 71 ARG HD2 1 78 GLU H . . 5.200 4.903 4.354 5.266 0.066 14 0 "[ . 1 . 2]" 1
1354 1 71 ARG HD2 1 84 TYR QD . . 7.330 5.442 4.144 6.102 . 0 0 "[ . 1 . 2]" 1
1355 1 71 ARG HD2 1 84 TYR QE . . 6.430 4.141 3.099 4.984 . 0 0 "[ . 1 . 2]" 1
1356 1 71 ARG HD3 1 77 TYR HA . . 5.200 4.584 3.814 5.122 . 0 0 "[ . 1 . 2]" 1
1357 1 71 ARG HD3 1 78 GLU H . . 5.200 4.108 3.122 5.121 . 0 0 "[ . 1 . 2]" 1
1358 1 71 ARG HD3 1 84 TYR QD . . 7.330 4.171 2.804 5.652 . 0 0 "[ . 1 . 2]" 1
1359 1 71 ARG HD3 1 84 TYR QE . . 6.430 2.936 2.031 4.388 . 0 0 "[ . 1 . 2]" 1
1360 1 71 ARG HG2 1 76 ILE MD . . 6.220 3.926 3.394 5.130 . 0 0 "[ . 1 . 2]" 1
1361 1 71 ARG HG2 1 84 TYR QE . . 7.330 2.801 2.140 4.522 . 0 0 "[ . 1 . 2]" 1
1362 1 71 ARG HG3 1 76 ILE MD . . 6.220 4.839 4.329 5.048 . 0 0 "[ . 1 . 2]" 1
1363 1 71 ARG HG3 1 84 TYR QE . . 7.330 4.014 2.587 4.993 . 0 0 "[ . 1 . 2]" 1
1364 1 71 ARG QB 1 72 LYS H . . 5.180 3.685 3.039 3.841 . 0 0 "[ . 1 . 2]" 1
1365 1 71 ARG QB 1 76 ILE MD . . 6.200 2.865 2.603 3.180 . 0 0 "[ . 1 . 2]" 1
1366 1 71 ARG QB 1 78 GLU H . . 6.080 3.399 3.017 3.640 . 0 0 "[ . 1 . 2]" 1
1367 1 71 ARG QB 1 84 TYR QD . . 8.210 2.760 2.354 3.254 . 0 0 "[ . 1 . 2]" 1
1368 1 71 ARG QB 1 84 TYR QE . . 7.310 2.912 2.161 3.850 . 0 0 "[ . 1 . 2]" 1
1369 1 71 ARG QD 1 72 LYS H . . 5.180 4.108 2.552 4.687 . 0 0 "[ . 1 . 2]" 1
1370 1 71 ARG QD 1 72 LYS HA . . 6.080 4.241 2.767 5.447 . 0 0 "[ . 1 . 2]" 1
1371 1 71 ARG QD 1 72 LYS QG . . 6.970 4.826 3.061 5.522 . 0 0 "[ . 1 . 2]" 1
1372 1 71 ARG QD 1 78 GLU QB . . 6.060 3.024 2.181 4.076 . 0 0 "[ . 1 . 2]" 1
1373 1 71 ARG QD 1 78 GLU QG . . 6.060 3.803 2.614 4.606 . 0 0 "[ . 1 . 2]" 1
1374 1 71 ARG QD 1 84 TYR QE . . 7.320 2.850 2.015 4.117 . 0 0 "[ . 1 . 2]" 1
1375 1 71 ARG QG 1 72 LYS H . . 4.180 2.605 2.195 3.881 . 0 0 "[ . 1 . 2]" 1
1376 1 71 ARG QG 1 76 ILE MD . . 7.100 3.737 3.278 4.414 . 0 0 "[ . 1 . 2]" 1
1377 1 71 ARG QG 1 77 TYR HA . . 6.080 4.692 2.687 5.220 . 0 0 "[ . 1 . 2]" 1
1378 1 71 ARG QG 1 78 GLU H . . 6.080 5.009 2.165 5.536 . 0 0 "[ . 1 . 2]" 1
1379 1 71 ARG QG 1 84 TYR QD . . 7.310 3.887 3.174 4.770 . 0 0 "[ . 1 . 2]" 1
1380 1 71 ARG QG 1 84 TYR QE . . 7.320 2.671 2.102 4.187 . 0 0 "[ . 1 . 2]" 1
1381 1 72 LYS H 1 72 LYS HG2 . . 5.200 4.023 2.628 4.604 . 0 0 "[ . 1 . 2]" 1
1382 1 72 LYS H 1 72 LYS HG3 . . 5.200 4.020 2.713 4.558 . 0 0 "[ . 1 . 2]" 1
1383 1 72 LYS H 1 72 LYS QD . . 6.080 4.351 3.924 4.749 . 0 0 "[ . 1 . 2]" 1
1384 1 72 LYS H 1 73 SER H . . 4.300 2.523 2.300 2.675 . 0 0 "[ . 1 . 2]" 1
1385 1 72 LYS H 1 74 GLY H . . 5.200 3.939 3.648 4.196 . 0 0 "[ . 1 . 2]" 1
1386 1 72 LYS H 1 75 ILE MD . . 7.520 6.095 4.963 6.321 . 0 0 "[ . 1 . 2]" 1
1387 1 72 LYS HG2 1 73 SER H . . 5.200 4.460 3.737 5.103 . 0 0 "[ . 1 . 2]" 1
1388 1 72 LYS HG3 1 73 SER H . . 5.200 4.682 2.677 5.285 0.085 5 0 "[ . 1 . 2]" 1
1389 1 72 LYS QB 1 73 SER H . . 5.180 2.802 2.501 3.724 . 0 0 "[ . 1 . 2]" 1
1390 1 72 LYS QB 1 74 GLY H . . 6.080 4.805 4.541 5.445 . 0 0 "[ . 1 . 2]" 1
1391 1 72 LYS QD 1 73 SER H . . 6.080 4.868 4.112 5.426 . 0 0 "[ . 1 . 2]" 1
1392 1 73 SER H 1 74 GLY H . . 4.300 2.522 2.282 2.684 . 0 0 "[ . 1 . 2]" 1
1393 1 73 SER H 1 75 ILE MD . . 6.220 4.766 3.438 5.073 . 0 0 "[ . 1 . 2]" 1
1394 1 73 SER H 1 76 ILE H . . 5.200 5.221 4.949 5.268 0.068 9 0 "[ . 1 . 2]" 1
1395 1 73 SER QB 1 75 ILE QG . . 6.960 2.717 2.194 3.996 . 0 0 "[ . 1 . 2]" 1
1396 1 73 SER QB 1 75 ILE MG . . 8.400 5.043 4.583 5.871 . 0 0 "[ . 1 . 2]" 1
1397 1 74 GLY H 1 75 ILE H . . 4.300 2.094 1.891 2.239 . 0 0 "[ . 1 . 2]" 1
1398 1 74 GLY H 1 75 ILE HB . . 4.300 4.219 3.737 4.385 0.085 20 0 "[ . 1 . 2]" 1
1399 1 74 GLY H 1 75 ILE HG12 . . 5.200 4.864 3.107 5.286 0.086 10 0 "[ . 1 . 2]" 1
1400 1 74 GLY H 1 75 ILE HG13 . . 5.200 4.005 3.631 5.002 . 0 0 "[ . 1 . 2]" 1
1401 1 74 GLY H 1 75 ILE MD . . 6.220 4.599 2.402 5.039 . 0 0 "[ . 1 . 2]" 1
1402 1 74 GLY H 1 75 ILE QG . . 6.080 3.608 3.063 4.289 . 0 0 "[ . 1 . 2]" 1
1403 1 74 GLY H 1 75 ILE MG . . 7.520 5.418 5.135 5.559 . 0 0 "[ . 1 . 2]" 1
1404 1 74 GLY H 1 76 ILE H . . 5.200 3.463 3.249 3.624 . 0 0 "[ . 1 . 2]" 1
1405 1 74 GLY QA 1 76 ILE H . . 6.080 3.564 3.309 4.073 . 0 0 "[ . 1 . 2]" 1
1406 1 74 GLY QA 1 87 VAL QG . . 7.280 3.618 2.747 4.425 . 0 0 "[ . 1 . 2]" 1
1407 1 75 ILE H 1 75 ILE HG12 . . 4.300 3.235 1.791 4.182 . 0 0 "[ . 1 . 2]" 1
1408 1 75 ILE H 1 75 ILE HG13 . . 4.300 2.600 2.075 3.482 . 0 0 "[ . 1 . 2]" 1
1409 1 75 ILE H 1 75 ILE MD . . 5.320 3.512 2.002 3.926 . 0 0 "[ . 1 . 2]" 1
1410 1 75 ILE H 1 76 ILE H . . 3.300 2.303 1.929 2.538 . 0 0 "[ . 1 . 2]" 1
1411 1 75 ILE H 1 76 ILE MG . . 6.220 4.374 4.210 4.640 . 0 0 "[ . 1 . 2]" 1
1412 1 75 ILE H 1 87 VAL QG . . 7.300 4.357 3.627 4.958 . 0 0 "[ . 1 . 2]" 1
1413 1 75 ILE HA 1 75 ILE QG . . 3.580 2.609 2.356 3.266 . 0 0 "[ . 1 . 2]" 1
1414 1 75 ILE HA 1 75 ILE MG . . 3.720 2.451 2.263 2.597 . 0 0 "[ . 1 . 2]" 1
1415 1 75 ILE HA 1 87 VAL H . . 5.200 4.285 3.936 4.556 . 0 0 "[ . 1 . 2]" 1
1416 1 75 ILE HA 1 87 VAL MG1 . . 6.220 3.197 2.386 5.138 . 0 0 "[ . 1 . 2]" 1
1417 1 75 ILE HA 1 87 VAL MG2 . . 6.220 4.490 2.714 5.247 . 0 0 "[ . 1 . 2]" 1
1418 1 75 ILE HA 1 87 VAL QG . . 6.400 2.906 2.382 3.383 . 0 0 "[ . 1 . 2]" 1
1419 1 75 ILE HB 1 75 ILE MD . . 3.720 2.610 2.356 3.242 . 0 0 "[ . 1 . 2]" 1
1420 1 75 ILE HB 1 76 ILE H . . 4.300 2.707 2.366 2.908 . 0 0 "[ . 1 . 2]" 1
1421 1 75 ILE HB 1 76 ILE MG . . 5.320 2.879 2.237 3.411 . 0 0 "[ . 1 . 2]" 1
1422 1 75 ILE MD 1 76 ILE H . . 6.220 4.685 3.880 4.872 . 0 0 "[ . 1 . 2]" 1
1423 1 75 ILE QG 1 76 ILE H . . 5.180 3.956 3.322 4.517 . 0 0 "[ . 1 . 2]" 1
1424 1 75 ILE MG 1 76 ILE H . . 5.320 3.632 3.402 3.850 . 0 0 "[ . 1 . 2]" 1
1425 1 75 ILE MG 1 76 ILE HA . . 6.220 4.169 4.071 4.369 . 0 0 "[ . 1 . 2]" 1
1426 1 75 ILE MG 1 76 ILE MD . . 6.340 4.151 4.119 4.209 . 0 0 "[ . 1 . 2]" 1
1427 1 75 ILE MG 1 76 ILE MG . . 5.340 2.190 2.107 2.435 . 0 0 "[ . 1 . 2]" 1
1428 1 75 ILE MG 1 86 LYS HA . . 6.220 4.310 3.979 4.613 . 0 0 "[ . 1 . 2]" 1
1429 1 75 ILE MG 1 86 LYS QE . . 6.200 3.049 2.191 4.035 . 0 0 "[ . 1 . 2]" 1
1430 1 75 ILE MG 1 86 LYS QG . . 7.100 3.826 2.698 5.046 . 0 0 "[ . 1 . 2]" 1
1431 1 75 ILE MG 1 87 VAL H . . 6.220 4.086 3.589 4.332 . 0 0 "[ . 1 . 2]" 1
1432 1 76 ILE H 1 76 ILE HG12 . . 4.300 2.455 2.316 2.582 . 0 0 "[ . 1 . 2]" 1
1433 1 76 ILE H 1 76 ILE HG13 . . 4.300 3.478 3.210 3.625 . 0 0 "[ . 1 . 2]" 1
1434 1 76 ILE H 1 76 ILE MD . . 5.320 4.044 3.966 4.118 . 0 0 "[ . 1 . 2]" 1
1435 1 76 ILE H 1 77 TYR H . . 5.200 4.360 4.238 4.461 . 0 0 "[ . 1 . 2]" 1
1436 1 76 ILE H 1 86 LYS HA . . 5.200 4.830 4.563 5.180 . 0 0 "[ . 1 . 2]" 1
1437 1 76 ILE H 1 87 VAL H . . 5.200 4.597 4.299 4.972 . 0 0 "[ . 1 . 2]" 1
1438 1 76 ILE H 1 87 VAL QG . . 6.400 3.982 3.200 4.649 . 0 0 "[ . 1 . 2]" 1
1439 1 76 ILE HA 1 77 TYR H . . 3.300 2.569 2.420 2.706 . 0 0 "[ . 1 . 2]" 1
1440 1 76 ILE HA 1 85 LYS H . . 5.200 4.698 4.389 4.967 . 0 0 "[ . 1 . 2]" 1
1441 1 76 ILE HA 1 86 LYS QE . . 6.080 4.862 3.898 5.533 . 0 0 "[ . 1 . 2]" 1
1442 1 76 ILE HA 1 87 VAL H . . 4.300 2.465 2.010 3.062 . 0 0 "[ . 1 . 2]" 1
1443 1 76 ILE HA 1 87 VAL HB . . 5.200 3.841 2.659 5.284 0.084 18 0 "[ . 1 . 2]" 1
1444 1 76 ILE HA 1 87 VAL MG1 . . 6.220 3.335 2.230 4.120 . 0 0 "[ . 1 . 2]" 1
1445 1 76 ILE HA 1 87 VAL MG2 . . 6.220 4.413 2.921 5.113 . 0 0 "[ . 1 . 2]" 1
1446 1 76 ILE HA 1 87 VAL QG . . 6.400 3.187 2.227 3.942 . 0 0 "[ . 1 . 2]" 1
1447 1 76 ILE HB 1 77 TYR H . . 4.300 2.401 2.219 2.599 . 0 0 "[ . 1 . 2]" 1
1448 1 76 ILE HB 1 84 TYR HA . . 5.200 4.958 4.462 5.267 0.067 5 0 "[ . 1 . 2]" 1
1449 1 76 ILE HB 1 84 TYR HB2 . . 5.200 4.612 3.939 4.882 . 0 0 "[ . 1 . 2]" 1
1450 1 76 ILE HB 1 84 TYR HB3 . . 5.200 3.210 2.614 3.584 . 0 0 "[ . 1 . 2]" 1
1451 1 76 ILE HB 1 84 TYR QD . . 6.430 4.122 3.613 4.755 . 0 0 "[ . 1 . 2]" 1
1452 1 76 ILE HB 1 85 LYS H . . 5.200 3.357 3.097 3.604 . 0 0 "[ . 1 . 2]" 1
1453 1 76 ILE HB 1 86 LYS HA . . 4.300 2.737 2.156 3.362 . 0 0 "[ . 1 . 2]" 1
1454 1 76 ILE HG12 1 84 TYR QD . . 7.330 4.137 3.598 5.049 . 0 0 "[ . 1 . 2]" 1
1455 1 76 ILE HG12 1 84 TYR QE . . 7.330 5.358 4.789 6.273 . 0 0 "[ . 1 . 2]" 1
1456 1 76 ILE HG13 1 84 TYR QD . . 7.330 2.733 2.309 3.571 . 0 0 "[ . 1 . 2]" 1
1457 1 76 ILE HG13 1 84 TYR QE . . 7.330 4.413 3.863 5.219 . 0 0 "[ . 1 . 2]" 1
1458 1 76 ILE MD 1 77 TYR H . . 6.220 4.084 3.906 4.421 . 0 0 "[ . 1 . 2]" 1
1459 1 76 ILE MD 1 77 TYR HA . . 6.220 4.861 4.608 5.252 . 0 0 "[ . 1 . 2]" 1
1460 1 76 ILE MD 1 84 TYR HA . . 6.220 4.489 4.192 4.754 . 0 0 "[ . 1 . 2]" 1
1461 1 76 ILE MD 1 84 TYR HB2 . . 5.320 3.155 2.729 3.447 . 0 0 "[ . 1 . 2]" 1
1462 1 76 ILE MD 1 84 TYR HB3 . . 5.320 2.355 2.171 2.550 . 0 0 "[ . 1 . 2]" 1
1463 1 76 ILE MD 1 84 TYR QD . . 7.450 2.499 2.035 3.232 . 0 0 "[ . 1 . 2]" 1
1464 1 76 ILE MD 1 84 TYR QE . . 7.450 3.592 3.157 4.507 . 0 0 "[ . 1 . 2]" 1
1465 1 76 ILE MD 1 85 LYS H . . 5.320 4.207 3.694 4.291 . 0 0 "[ . 1 . 2]" 1
1466 1 76 ILE MD 1 86 LYS HA . . 6.220 4.489 4.044 4.937 . 0 0 "[ . 1 . 2]" 1
1467 1 76 ILE MG 1 77 TYR H . . 5.320 3.903 3.743 4.018 . 0 0 "[ . 1 . 2]" 1
1468 1 76 ILE MG 1 84 TYR QD . . 8.350 4.745 4.453 5.346 . 0 0 "[ . 1 . 2]" 1
1469 1 76 ILE MG 1 85 LYS H . . 6.220 4.749 4.337 5.001 . 0 0 "[ . 1 . 2]" 1
1470 1 76 ILE MG 1 85 LYS HA . . 6.220 4.815 4.026 5.125 . 0 0 "[ . 1 . 2]" 1
1471 1 76 ILE MG 1 86 LYS H . . 5.320 4.041 3.464 4.324 . 0 0 "[ . 1 . 2]" 1
1472 1 76 ILE MG 1 86 LYS HA . . 4.320 2.054 1.940 2.252 . 0 0 "[ . 1 . 2]" 1
1473 1 76 ILE MG 1 86 LYS HE2 . . 5.320 3.835 3.251 4.370 . 0 0 "[ . 1 . 2]" 1
1474 1 76 ILE MG 1 86 LYS HE3 . . 5.320 4.298 3.492 4.440 . 0 0 "[ . 1 . 2]" 1
1475 1 76 ILE MG 1 86 LYS QB . . 7.100 3.019 1.914 3.659 . 0 0 "[ . 1 . 2]" 1
1476 1 76 ILE MG 1 86 LYS QE . . 6.200 3.547 3.167 3.896 . 0 0 "[ . 1 . 2]" 1
1477 1 76 ILE MG 1 86 LYS QG . . 5.200 2.766 2.048 3.794 . 0 0 "[ . 1 . 2]" 1
1478 1 76 ILE MG 1 87 VAL H . . 5.320 3.114 2.678 3.598 . 0 0 "[ . 1 . 2]" 1
1479 1 76 ILE MG 1 87 VAL HA . . 7.520 5.431 4.760 5.877 . 0 0 "[ . 1 . 2]" 1
1480 1 77 TYR H 1 77 TYR QE . . 7.330 4.451 3.978 5.271 . 0 0 "[ . 1 . 2]" 1
1481 1 77 TYR H 1 78 GLU H . . 5.200 4.417 4.338 4.554 . 0 0 "[ . 1 . 2]" 1
1482 1 77 TYR H 1 78 GLU HA . . 5.200 4.728 4.123 5.014 . 0 0 "[ . 1 . 2]" 1
1483 1 77 TYR H 1 84 TYR HA . . 5.200 4.495 4.126 5.041 . 0 0 "[ . 1 . 2]" 1
1484 1 77 TYR H 1 84 TYR HB2 . . 6.500 5.600 5.008 6.009 . 0 0 "[ . 1 . 2]" 1
1485 1 77 TYR H 1 84 TYR HB3 . . 6.500 3.960 3.459 4.338 . 0 0 "[ . 1 . 2]" 1
1486 1 77 TYR H 1 84 TYR QD . . 7.330 4.409 3.497 5.326 . 0 0 "[ . 1 . 2]" 1
1487 1 77 TYR H 1 85 LYS H . . 4.300 2.627 2.372 2.850 . 0 0 "[ . 1 . 2]" 1
1488 1 77 TYR H 1 85 LYS HB2 . . 5.200 4.990 4.040 5.274 0.074 2 0 "[ . 1 . 2]" 1
1489 1 77 TYR H 1 85 LYS HB3 . . 5.200 4.248 3.564 5.296 0.096 20 0 "[ . 1 . 2]" 1
1490 1 77 TYR H 1 86 LYS HA . . 5.200 3.747 3.175 4.136 . 0 0 "[ . 1 . 2]" 1
1491 1 77 TYR H 1 87 VAL H . . 5.200 4.653 3.958 5.263 0.063 20 0 "[ . 1 . 2]" 1
1492 1 77 TYR H 1 87 VAL MG1 . . 7.520 4.955 3.382 6.082 . 0 0 "[ . 1 . 2]" 1
1493 1 77 TYR H 1 87 VAL MG2 . . 7.520 5.556 4.652 6.335 . 0 0 "[ . 1 . 2]" 1
1494 1 77 TYR H 1 87 VAL QG . . 8.600 4.460 3.362 5.354 . 0 0 "[ . 1 . 2]" 1
1495 1 77 TYR HA 1 78 GLU H . . 3.300 2.471 2.237 2.762 . 0 0 "[ . 1 . 2]" 1
1496 1 77 TYR HA 1 78 GLU QB . . 6.080 4.102 3.429 4.454 . 0 0 "[ . 1 . 2]" 1
1497 1 77 TYR HA 1 78 GLU QG . . 6.580 5.284 4.269 5.871 . 0 0 "[ . 1 . 2]" 1
1498 1 77 TYR HA 1 87 VAL QG . . 8.600 5.294 4.298 6.318 . 0 0 "[ . 1 . 2]" 1
1499 1 77 TYR HB2 1 78 GLU H . . 4.300 2.681 2.299 3.762 . 0 0 "[ . 1 . 2]" 1
1500 1 77 TYR HB3 1 78 GLU H . . 4.300 3.588 2.626 4.127 . 0 0 "[ . 1 . 2]" 1
1501 1 77 TYR QD 1 78 GLU H . . 7.330 3.909 3.249 4.570 . 0 0 "[ . 1 . 2]" 1
1502 1 77 TYR QD 1 85 LYS H . . 7.330 3.674 2.692 4.606 . 0 0 "[ . 1 . 2]" 1
1503 1 77 TYR QD 1 85 LYS QB . . 8.210 3.207 2.215 5.223 . 0 0 "[ . 1 . 2]" 1
1504 1 77 TYR QD 1 87 VAL H . . 7.330 4.775 4.316 5.649 . 0 0 "[ . 1 . 2]" 1
1505 1 77 TYR QD 1 87 VAL HB . . 7.330 3.709 2.308 5.021 . 0 0 "[ . 1 . 2]" 1
1506 1 77 TYR QD 1 87 VAL MG1 . . 7.450 3.858 2.005 5.453 . 0 0 "[ . 1 . 2]" 1
1507 1 77 TYR QD 1 87 VAL MG2 . . 7.450 3.731 2.441 5.403 . 0 0 "[ . 1 . 2]" 1
1508 1 77 TYR QD 1 87 VAL QG . . 7.530 2.893 2.000 3.757 . 0 0 "[ . 1 . 2]" 1
1509 1 77 TYR QE 1 85 LYS H . . 8.630 4.763 3.822 6.556 . 0 0 "[ . 1 . 2]" 1
1510 1 77 TYR QE 1 85 LYS HB2 . . 7.330 3.960 2.141 6.143 . 0 0 "[ . 1 . 2]" 1
1511 1 77 TYR QE 1 85 LYS HB3 . . 7.330 3.005 2.219 6.063 . 0 0 "[ . 1 . 2]" 1
1512 1 77 TYR QE 1 85 LYS HE2 . . 7.330 4.912 3.246 6.163 . 0 0 "[ . 1 . 2]" 1
1513 1 77 TYR QE 1 85 LYS HE3 . . 7.330 4.810 3.147 6.335 . 0 0 "[ . 1 . 2]" 1
1514 1 77 TYR QE 1 85 LYS HG2 . . 7.330 4.930 3.467 6.243 . 0 0 "[ . 1 . 2]" 1
1515 1 77 TYR QE 1 85 LYS HG3 . . 7.330 4.585 3.645 5.894 . 0 0 "[ . 1 . 2]" 1
1516 1 77 TYR QE 1 85 LYS QB . . 7.310 2.849 2.026 4.923 . 0 0 "[ . 1 . 2]" 1
1517 1 77 TYR QE 1 85 LYS QG . . 8.220 4.173 3.367 5.391 . 0 0 "[ . 1 . 2]" 1
1518 1 77 TYR QE 1 87 VAL H . . 7.330 4.897 3.761 5.542 . 0 0 "[ . 1 . 2]" 1
1519 1 77 TYR QE 1 87 VAL MG1 . . 8.350 4.032 2.607 5.216 . 0 0 "[ . 1 . 2]" 1
1520 1 77 TYR QE 1 87 VAL MG2 . . 8.350 3.348 2.088 5.357 . 0 0 "[ . 1 . 2]" 1
1521 1 77 TYR QE 1 87 VAL QG . . 8.530 2.746 2.084 3.575 . 0 0 "[ . 1 . 2]" 1
1522 1 78 GLU H 1 78 GLU HG2 . . 4.300 4.215 3.683 4.386 0.086 4 0 "[ . 1 . 2]" 1
1523 1 78 GLU H 1 78 GLU HG3 . . 4.300 4.041 2.969 4.392 0.092 9 0 "[ . 1 . 2]" 1
1524 1 78 GLU H 1 79 ALA H . . 5.200 3.796 2.281 4.564 . 0 0 "[ . 1 . 2]" 1
1525 1 78 GLU H 1 84 TYR HA . . 5.200 4.607 4.408 4.714 . 0 0 "[ . 1 . 2]" 1
1526 1 78 GLU H 1 84 TYR QD . . 7.330 4.351 3.463 5.174 . 0 0 "[ . 1 . 2]" 1
1527 1 78 GLU H 1 84 TYR QE . . 7.330 5.023 3.652 5.989 . 0 0 "[ . 1 . 2]" 1
1528 1 78 GLU HA 1 79 ALA MB . . 5.320 4.120 3.516 4.414 . 0 0 "[ . 1 . 2]" 1
1529 1 78 GLU HA 1 80 LYS H . . 5.200 3.734 3.359 4.270 . 0 0 "[ . 1 . 2]" 1
1530 1 78 GLU HA 1 83 CYS H . . 5.200 4.644 4.167 5.270 0.070 7 0 "[ . 1 . 2]" 1
1531 1 78 GLU HA 1 85 LYS H . . 4.300 3.550 2.619 3.829 . 0 0 "[ . 1 . 2]" 1
1532 1 78 GLU HB2 1 83 CYS H . . 6.500 5.697 3.346 6.565 0.065 5 0 "[ . 1 . 2]" 1
1533 1 78 GLU HB3 1 83 CYS H . . 6.500 5.442 4.038 6.525 0.025 12 0 "[ . 1 . 2]" 1
1534 1 78 GLU HG2 1 79 ALA MB . . 8.420 5.311 4.572 5.919 . 0 0 "[ . 1 . 2]" 1
1535 1 78 GLU HG2 1 80 LYS H . . 5.200 3.684 2.015 5.258 0.058 3 0 "[ . 1 . 2]" 1
1536 1 78 GLU HG2 1 84 TYR HA . . 5.200 4.491 3.537 5.102 . 0 0 "[ . 1 . 2]" 1
1537 1 78 GLU HG2 1 84 TYR QD . . 7.330 4.398 3.351 5.162 . 0 0 "[ . 1 . 2]" 1
1538 1 78 GLU HG3 1 79 ALA MB . . 8.420 5.641 5.006 6.255 . 0 0 "[ . 1 . 2]" 1
1539 1 78 GLU HG3 1 80 LYS H . . 5.200 4.366 3.367 5.275 0.075 16 0 "[ . 1 . 2]" 1
1540 1 78 GLU HG3 1 84 TYR HA . . 5.200 3.954 3.260 5.261 0.061 3 0 "[ . 1 . 2]" 1
1541 1 78 GLU HG3 1 84 TYR QD . . 7.330 3.475 2.317 4.919 . 0 0 "[ . 1 . 2]" 1
1542 1 78 GLU QB 1 80 LYS H . . 5.180 3.917 2.478 4.657 . 0 0 "[ . 1 . 2]" 1
1543 1 78 GLU QB 1 80 LYS HA . . 6.580 5.358 4.184 5.837 . 0 0 "[ . 1 . 2]" 1
1544 1 78 GLU QB 1 82 GLU H . . 6.580 5.287 4.218 5.980 . 0 0 "[ . 1 . 2]" 1
1545 1 78 GLU QB 1 84 TYR QD . . 8.210 3.578 2.528 4.623 . 0 0 "[ . 1 . 2]" 1
1546 1 78 GLU QB 1 84 TYR QE . . 7.310 3.440 2.142 4.821 . 0 0 "[ . 1 . 2]" 1
1547 1 78 GLU QG 1 79 ALA HA . . 6.080 4.991 3.894 5.555 . 0 0 "[ . 1 . 2]" 1
1548 1 78 GLU QG 1 80 LYS H . . 6.080 3.468 2.000 4.685 . 0 0 "[ . 1 . 2]" 1
1549 1 78 GLU QG 1 82 GLU H . . 5.180 3.787 2.913 4.469 . 0 0 "[ . 1 . 2]" 1
1550 1 78 GLU QG 1 82 GLU HA . . 6.080 4.702 3.536 5.495 . 0 0 "[ . 1 . 2]" 1
1551 1 78 GLU QG 1 83 CYS H . . 5.180 3.429 2.498 4.583 . 0 0 "[ . 1 . 2]" 1
1552 1 78 GLU QG 1 84 TYR HA . . 6.080 3.604 3.119 4.268 . 0 0 "[ . 1 . 2]" 1
1553 1 78 GLU QG 1 84 TYR QE . . 7.320 3.005 2.259 4.154 . 0 0 "[ . 1 . 2]" 1
1554 1 79 ALA H 1 80 LYS H . . 3.300 2.508 1.871 3.353 0.053 8 0 "[ . 1 . 2]" 1
1555 1 79 ALA MB 1 80 LYS H . . 4.320 2.867 2.565 3.448 . 0 0 "[ . 1 . 2]" 1
1556 1 79 ALA MB 1 80 LYS HA . . 5.320 4.377 4.216 4.444 . 0 0 "[ . 1 . 2]" 1
1557 1 79 ALA MB 1 80 LYS QE . . 7.100 3.891 2.867 5.184 . 0 0 "[ . 1 . 2]" 1
1558 1 79 ALA MB 1 81 PRO QD . . 7.610 5.656 5.503 5.718 . 0 0 "[ . 1 . 2]" 1
1559 1 79 ALA MB 1 83 CYS QB . . 8.400 4.090 2.732 5.887 . 0 0 "[ . 1 . 2]" 1
1560 1 79 ALA MB 1 84 TYR HA . . 6.220 4.195 3.485 5.080 . 0 0 "[ . 1 . 2]" 1
1561 1 80 LYS H 1 80 LYS HG2 . . 5.200 4.345 3.237 4.968 . 0 0 "[ . 1 . 2]" 1
1562 1 80 LYS H 1 80 LYS HG3 . . 5.200 3.643 3.156 4.394 . 0 0 "[ . 1 . 2]" 1
1563 1 80 LYS H 1 81 PRO HD2 . . 5.200 4.786 4.681 4.904 . 0 0 "[ . 1 . 2]" 1
1564 1 80 LYS H 1 81 PRO HD3 . . 5.200 4.943 4.406 5.139 . 0 0 "[ . 1 . 2]" 1
1565 1 80 LYS H 1 81 PRO QD . . 5.190 4.326 4.046 4.455 . 0 0 "[ . 1 . 2]" 1
1566 1 80 LYS H 1 83 CYS H . . 4.300 3.492 2.820 4.357 0.057 4 0 "[ . 1 . 2]" 1
1567 1 80 LYS H 1 83 CYS HA . . 6.500 5.172 4.659 6.287 . 0 0 "[ . 1 . 2]" 1
1568 1 80 LYS H 1 83 CYS QB . . 5.180 3.134 2.395 4.501 . 0 0 "[ . 1 . 2]" 1
1569 1 80 LYS HA 1 80 LYS QE . . 6.080 4.557 2.211 5.273 . 0 0 "[ . 1 . 2]" 1
1570 1 80 LYS HB2 1 81 PRO HD2 . . 5.200 3.727 3.387 4.293 . 0 0 "[ . 1 . 2]" 1
1571 1 80 LYS HB2 1 81 PRO HD3 . . 5.200 4.877 4.701 5.143 . 0 0 "[ . 1 . 2]" 1
1572 1 80 LYS HB2 1 81 PRO QD . . 5.190 3.614 3.314 4.089 . 0 0 "[ . 1 . 2]" 1
1573 1 80 LYS HB3 1 81 PRO HD2 . . 5.200 2.235 2.024 3.036 . 0 0 "[ . 1 . 2]" 1
1574 1 80 LYS HB3 1 81 PRO HD3 . . 5.200 3.730 3.597 4.316 . 0 0 "[ . 1 . 2]" 1
1575 1 80 LYS HB3 1 81 PRO QD . . 5.190 2.217 2.014 2.979 . 0 0 "[ . 1 . 2]" 1
1576 1 80 LYS QD 1 81 PRO QD . . 6.070 4.074 3.314 4.692 . 0 0 "[ . 1 . 2]" 1
1577 1 80 LYS QG 1 81 PRO QD . . 6.070 3.371 2.827 3.910 . 0 0 "[ . 1 . 2]" 1
1578 1 81 PRO HA 1 82 GLU H . . 3.300 2.239 1.957 2.877 . 0 0 "[ . 1 . 2]" 1
1579 1 81 PRO HA 1 82 GLU QB . . 5.180 4.511 4.302 4.620 . 0 0 "[ . 1 . 2]" 1
1580 1 81 PRO HA 1 83 CYS H . . 4.300 3.626 3.256 4.189 . 0 0 "[ . 1 . 2]" 1
1581 1 81 PRO QB 1 83 CYS H . . 6.080 4.901 4.569 5.400 . 0 0 "[ . 1 . 2]" 1
1582 1 82 GLU H 1 82 GLU HG2 . . 5.200 3.826 2.474 4.747 . 0 0 "[ . 1 . 2]" 1
1583 1 82 GLU H 1 82 GLU HG3 . . 5.200 3.908 2.530 5.015 . 0 0 "[ . 1 . 2]" 1
1584 1 82 GLU H 1 83 CYS H . . 4.300 2.606 1.661 3.094 . 0 0 "[ . 1 . 2]" 1
1585 1 82 GLU QB 1 83 CYS HA . . 6.080 4.643 3.947 5.037 . 0 0 "[ . 1 . 2]" 1
1586 1 83 CYS H 1 84 TYR H . . 5.200 4.093 3.693 4.534 . 0 0 "[ . 1 . 2]" 1
1587 1 83 CYS H 1 84 TYR QD . . 7.330 3.907 2.649 4.962 . 0 0 "[ . 1 . 2]" 1
1588 1 83 CYS H 1 84 TYR QE . . 7.330 4.278 3.399 5.266 . 0 0 "[ . 1 . 2]" 1
1589 1 83 CYS HA 1 84 TYR H . . 3.300 2.192 2.121 2.390 . 0 0 "[ . 1 . 2]" 1
1590 1 83 CYS QB 1 84 TYR H . . 5.180 3.791 2.428 4.026 . 0 0 "[ . 1 . 2]" 1
1591 1 84 TYR H 1 84 TYR QE . . 7.330 4.827 4.026 5.366 . 0 0 "[ . 1 . 2]" 1
1592 1 84 TYR H 1 85 LYS H . . 5.200 4.570 4.408 4.709 . 0 0 "[ . 1 . 2]" 1
1593 1 84 TYR HA 1 85 LYS H . . 3.300 2.391 2.272 2.541 . 0 0 "[ . 1 . 2]" 1
1594 1 84 TYR HB2 1 85 LYS H . . 4.300 3.864 3.459 4.109 . 0 0 "[ . 1 . 2]" 1
1595 1 84 TYR HB3 1 85 LYS H . . 4.300 2.698 2.319 2.923 . 0 0 "[ . 1 . 2]" 1
1596 1 84 TYR QD 1 85 LYS H . . 7.330 4.023 3.467 4.477 . 0 0 "[ . 1 . 2]" 1
1597 1 85 LYS H 1 85 LYS HG2 . . 5.200 4.547 3.674 4.801 . 0 0 "[ . 1 . 2]" 1
1598 1 85 LYS H 1 85 LYS HG3 . . 5.200 4.765 2.598 5.127 . 0 0 "[ . 1 . 2]" 1
1599 1 85 LYS H 1 85 LYS QD . . 6.080 4.593 3.555 5.160 . 0 0 "[ . 1 . 2]" 1
1600 1 85 LYS H 1 86 LYS H . . 5.200 4.330 4.192 4.455 . 0 0 "[ . 1 . 2]" 1
1601 1 85 LYS HA 1 85 LYS QE . . 6.080 4.239 3.399 4.799 . 0 0 "[ . 1 . 2]" 1
1602 1 85 LYS HA 1 86 LYS H . . 3.300 2.242 2.114 2.378 . 0 0 "[ . 1 . 2]" 1
1603 1 85 LYS HA 1 86 LYS QB . . 6.080 4.032 3.760 4.548 . 0 0 "[ . 1 . 2]" 1
1604 1 85 LYS HB2 1 85 LYS HE2 . . 5.200 4.691 3.646 5.233 0.033 17 0 "[ . 1 . 2]" 1
1605 1 85 LYS HB2 1 85 LYS HE3 . . 5.200 4.576 2.069 5.280 0.080 6 0 "[ . 1 . 2]" 1
1606 1 85 LYS HB2 1 86 LYS H . . 4.300 4.171 2.735 4.376 0.076 14 0 "[ . 1 . 2]" 1
1607 1 85 LYS HB3 1 85 LYS HE2 . . 5.200 4.218 2.555 4.935 . 0 0 "[ . 1 . 2]" 1
1608 1 85 LYS HB3 1 85 LYS HE3 . . 5.200 4.115 1.948 4.637 . 0 0 "[ . 1 . 2]" 1
1609 1 85 LYS HB3 1 86 LYS H . . 4.300 3.730 2.644 4.268 . 0 0 "[ . 1 . 2]" 1
1610 1 85 LYS HE2 1 86 LYS H . . 5.200 4.371 2.371 5.283 0.083 12 0 "[ . 1 . 2]" 1
1611 1 85 LYS HE3 1 86 LYS H . . 5.200 4.558 2.805 5.261 0.061 2 0 "[ . 1 . 2]" 1
1612 1 85 LYS HG2 1 86 LYS H . . 5.200 2.965 2.035 5.182 . 0 0 "[ . 1 . 2]" 1
1613 1 85 LYS HG3 1 86 LYS H . . 5.200 4.255 3.389 5.202 0.002 18 0 "[ . 1 . 2]" 1
1614 1 85 LYS QB 1 86 LYS H . . 5.180 3.436 2.603 3.848 . 0 0 "[ . 1 . 2]" 1
1615 1 34 ILE MG 1 85 LYS QB . . 7.100 3.956 3.083 4.336 . 0 0 "[ . 1 . 2]" 1
1616 1 85 LYS QG 1 86 LYS H . . 6.080 2.868 2.024 4.484 . 0 0 "[ . 1 . 2]" 1
1617 1 86 LYS H 1 86 LYS HG2 . . 5.200 4.105 2.711 4.553 . 0 0 "[ . 1 . 2]" 1
1618 1 86 LYS H 1 86 LYS HG3 . . 5.200 3.992 1.945 4.740 . 0 0 "[ . 1 . 2]" 1
1619 1 86 LYS H 1 86 LYS QE . . 6.580 5.434 4.370 5.989 . 0 0 "[ . 1 . 2]" 1
1620 1 86 LYS H 1 87 VAL H . . 5.200 4.677 4.567 4.788 . 0 0 "[ . 1 . 2]" 1
1621 1 86 LYS H 1 87 VAL QG . . 7.800 5.529 4.419 5.884 . 0 0 "[ . 1 . 2]" 1
1622 1 86 LYS HA 1 87 VAL H . . 3.300 2.359 2.173 2.527 . 0 0 "[ . 1 . 2]" 1
1623 1 86 LYS HA 1 87 VAL MG1 . . 6.720 4.114 2.984 4.542 . 0 0 "[ . 1 . 2]" 1
1624 1 86 LYS HA 1 87 VAL MG2 . . 6.720 5.110 4.046 5.669 . 0 0 "[ . 1 . 2]" 1
1625 1 86 LYS HB2 1 87 VAL H . . 5.200 4.020 2.415 4.451 . 0 0 "[ . 1 . 2]" 1
1626 1 86 LYS HB3 1 87 VAL H . . 5.200 3.858 3.010 4.437 . 0 0 "[ . 1 . 2]" 1
1627 1 86 LYS QD 1 87 VAL H . . 4.180 2.898 1.904 3.714 . 0 0 "[ . 1 . 2]" 1
1628 1 86 LYS QD 1 87 VAL QG . . 8.180 3.671 2.746 4.423 . 0 0 "[ . 1 . 2]" 1
1629 1 86 LYS QE 1 87 VAL H . . 5.180 3.229 2.143 4.740 . 0 0 "[ . 1 . 2]" 1
1630 1 86 LYS QE 1 87 VAL QG . . 8.180 3.402 2.109 4.559 . 0 0 "[ . 1 . 2]" 1
1631 1 86 LYS QG 1 87 VAL H . . 5.180 3.169 1.988 4.280 . 0 0 "[ . 1 . 2]" 1
1632 1 87 VAL HA 1 87 VAL HB . . 2.700 2.469 2.288 2.691 . 0 0 "[ . 1 . 2]" 1
1633 1 10 ILE MG 1 11 ASP QB . . 6.480 4.381 4.014 4.709 . 0 0 "[ . 1 . 2]" 1
1634 1 11 ASP QB 1 12 ILE H . . 2.580 2.255 1.897 2.490 . 0 0 "[ . 1 . 2]" 1
1635 1 11 ASP QB 1 13 ASP H . . 5.060 2.352 2.012 2.803 . 0 0 "[ . 1 . 2]" 1
1636 1 11 ASP QB 1 14 THR H . . 5.060 2.147 1.674 3.256 . 0 0 "[ . 1 . 2]" 1
1637 1 11 ASP QB 1 14 THR HB . . 4.110 2.611 1.929 3.768 . 0 0 "[ . 1 . 2]" 1
1638 1 12 ILE MG 1 16 MET QG . . 5.030 2.338 1.978 2.815 . 0 0 "[ . 1 . 2]" 1
1639 1 12 ILE MG 1 24 ARG QG . . 8.040 3.954 2.754 5.220 . 0 0 "[ . 1 . 2]" 1
1640 1 13 ASP HA 1 16 MET QB . . 5.060 3.874 2.309 4.509 . 0 0 "[ . 1 . 2]" 1
1641 1 14 THR HB 1 15 ILE QG . . 5.530 4.518 3.748 4.657 . 0 0 "[ . 1 . 2]" 1
1642 1 14 THR MG 1 15 ILE QG . . 5.170 2.183 1.999 2.592 . 0 0 "[ . 1 . 2]" 1
1643 1 15 ILE H 1 16 MET QB . . 5.530 4.460 3.804 4.786 . 0 0 "[ . 1 . 2]" 1
1644 1 15 ILE QG 1 16 MET H . . 5.060 3.945 3.447 4.274 . 0 0 "[ . 1 . 2]" 1
1645 1 15 ILE QG 1 16 MET QG . . 7.090 5.252 4.391 5.621 . 0 0 "[ . 1 . 2]" 1
1646 1 16 MET H 1 16 MET QB . . 3.190 2.468 2.199 2.744 . 0 0 "[ . 1 . 2]" 1
1647 1 16 MET HA 1 16 MET QB . . 2.520 2.212 2.151 2.404 . 0 0 "[ . 1 . 2]" 1
1648 1 16 MET QB 1 17 THR H . . 4.110 3.606 2.830 3.811 . 0 0 "[ . 1 . 2]" 1
1649 1 19 LYS QB 1 20 PRO HA . . 5.270 4.520 4.401 4.632 . 0 0 "[ . 1 . 2]" 1
1650 1 19 LYS QB 1 20 PRO QG . . 5.050 3.666 3.404 3.802 . 0 0 "[ . 1 . 2]" 1
1651 1 21 LYS HA 1 24 ARG QG . . 5.060 2.965 2.445 3.833 . 0 0 "[ . 1 . 2]" 1
1652 1 24 ARG H 1 24 ARG QG . . 5.060 2.481 2.043 3.195 . 0 0 "[ . 1 . 2]" 1
1653 1 24 ARG QG 1 25 GLU H . . 2.670 2.214 1.974 2.520 . 0 0 "[ . 1 . 2]" 1
1654 1 24 ARG QG 1 28 MET QG . . 4.510 3.122 2.311 3.702 . 0 0 "[ . 1 . 2]" 1
1655 1 24 ARG QG 1 28 MET ME . . 6.010 3.971 3.296 4.419 . 0 0 "[ . 1 . 2]" 1
1656 1 26 LYS QD 1 62 ASN QB . . 7.090 4.170 2.508 5.550 . 0 0 "[ . 1 . 2]" 1
1657 1 27 MET HA 1 30 ILE QG . . 5.060 3.753 1.792 4.532 . 0 0 "[ . 1 . 2]" 1
1658 1 27 MET QG 1 66 LEU QB . . 7.910 4.265 3.178 6.075 . 0 0 "[ . 1 . 2]" 1
1659 1 27 MET ME 1 31 ILE QG . . 8.040 5.185 4.514 5.784 . 0 0 "[ . 1 . 2]" 1
1660 1 27 MET ME 1 66 LEU QB . . 8.500 4.805 3.346 6.086 . 0 0 "[ . 1 . 2]" 1
1661 1 27 MET ME 1 69 ASP QB . . 8.490 4.360 3.528 5.442 . 0 0 "[ . 1 . 2]" 1
1662 1 28 MET HA 1 31 ILE QG . . 4.110 2.071 1.958 2.324 . 0 0 "[ . 1 . 2]" 1
1663 1 29 LYS H 1 30 ILE QG . . 5.530 4.427 3.643 4.902 . 0 0 "[ . 1 . 2]" 1
1664 1 29 LYS H 1 31 ILE QG . . 5.060 4.230 3.917 4.345 . 0 0 "[ . 1 . 2]" 1
1665 1 30 ILE HA 1 30 ILE QG . . 2.670 2.364 2.223 2.514 . 0 0 "[ . 1 . 2]" 1
1666 1 30 ILE MG 1 84 TYR QB . . 7.210 5.198 4.719 5.467 . 0 0 "[ . 1 . 2]" 1
1667 1 30 ILE QG 1 63 ILE HA . . 6.270 4.236 3.243 5.155 . 0 0 "[ . 1 . 2]" 1
1668 1 30 ILE QG 1 66 LEU QB . . 4.920 3.827 3.267 4.066 . 0 0 "[ . 1 . 2]" 1
1669 1 30 ILE MD 1 62 ASN QB . . 8.040 4.623 3.799 5.632 . 0 0 "[ . 1 . 2]" 1
1670 1 30 ILE MD 1 66 LEU QB . . 4.230 2.179 1.903 3.053 . 0 0 "[ . 1 . 2]" 1
1671 1 31 ILE QG 1 32 GLU H . . 5.060 2.676 2.127 3.016 . 0 0 "[ . 1 . 2]" 1
1672 1 32 GLU H 1 34 ILE QG . . 5.530 4.777 4.687 4.899 . 0 0 "[ . 1 . 2]" 1
1673 1 34 ILE HA 1 37 LEU QB . . 5.060 2.889 2.662 3.167 . 0 0 "[ . 1 . 2]" 1
1674 1 34 ILE QG 1 35 ASP H . . 5.060 3.956 3.820 4.185 . 0 0 "[ . 1 . 2]" 1
1675 1 34 ILE QG 1 44 ALA MB . . 5.030 3.101 2.448 3.707 . 0 0 "[ . 1 . 2]" 1
1676 1 34 ILE QG 1 49 ILE MG . . 6.010 3.036 2.550 3.661 . 0 0 "[ . 1 . 2]" 1
1677 1 34 ILE QG 1 49 ILE MD . . 5.180 2.314 2.058 3.150 . 0 0 "[ . 1 . 2]" 1
1678 1 34 ILE QG 1 84 TYR QB . . 6.040 4.143 3.413 4.519 . 0 0 "[ . 1 . 2]" 1
1679 1 36 SER H 1 37 LEU QB . . 5.530 4.565 4.270 4.755 . 0 0 "[ . 1 . 2]" 1
1680 1 37 LEU H 1 37 LEU QB . . 3.190 2.265 2.110 2.392 . 0 0 "[ . 1 . 2]" 1
1681 1 37 LEU QB 1 44 ALA MB . . 4.230 2.121 1.928 2.515 . 0 0 "[ . 1 . 2]" 1
1682 1 37 LEU QD 1 48 ASP QB . . 4.670 2.041 1.853 2.371 . 0 0 "[ . 1 . 2]" 1
1683 1 37 LEU QD 1 49 ILE QG . . 7.010 2.885 2.019 4.140 . 0 0 "[ . 1 . 2]" 1
1684 1 38 ALA MB 1 39 VAL QG . . 7.020 4.162 3.197 4.532 . 0 0 "[ . 1 . 2]" 1
1685 1 43 CYS QB 1 79 ALA MB . . 6.470 2.964 2.007 4.613 . 0 0 "[ . 1 . 2]" 1
1686 1 44 ALA H 1 84 TYR QB . . 5.060 4.112 3.552 4.469 . 0 0 "[ . 1 . 2]" 1
1687 1 44 ALA HA 1 48 ASP QB . . 5.530 4.435 4.026 4.974 . 0 0 "[ . 1 . 2]" 1
1688 1 44 ALA MB 1 48 ASP QB . . 6.010 3.970 3.318 4.310 . 0 0 "[ . 1 . 2]" 1
1689 1 44 ALA MB 1 49 ILE QG . . 5.170 2.544 2.271 2.787 . 0 0 "[ . 1 . 2]" 1
1690 1 45 LYS QB 1 45 LYS QE . . 4.510 2.781 2.060 3.621 . 0 0 "[ . 1 . 2]" 1
1691 1 45 LYS QB 1 46 VAL QG . . 7.010 4.184 3.478 4.630 . 0 0 "[ . 1 . 2]" 1
1692 1 45 LYS QB 1 47 LYS H . . 4.210 2.707 2.330 3.063 . 0 0 "[ . 1 . 2]" 1
1693 1 45 LYS QB 1 48 ASP H . . 4.110 2.841 2.338 3.573 . 0 0 "[ . 1 . 2]" 1
1694 1 45 LYS QB 1 48 ASP QB . . 4.930 3.452 2.651 3.894 . 0 0 "[ . 1 . 2]" 1
1695 1 46 VAL QG 1 63 ILE MG . . 6.070 3.148 2.475 3.439 . 0 0 "[ . 1 . 2]" 1
1696 1 46 VAL QG 1 84 TYR QB . . 8.200 4.074 2.844 5.450 . 0 0 "[ . 1 . 2]" 1
1697 1 47 LYS QB 1 48 ASP QB . . 5.880 4.191 3.606 4.616 . 0 0 "[ . 1 . 2]" 1
1698 1 48 ASP QB 1 49 ILE QG . . 4.130 3.139 2.475 3.426 . 0 0 "[ . 1 . 2]" 1
1699 1 48 ASP QB 1 50 LEU H . . 5.530 4.834 4.683 4.968 . 0 0 "[ . 1 . 2]" 1
1700 1 49 ILE H 1 49 ILE QG . . 3.200 1.955 1.688 2.026 . 0 0 "[ . 1 . 2]" 1
1701 1 49 ILE QG 1 50 LEU H . . 5.060 3.828 3.454 3.980 . 0 0 "[ . 1 . 2]" 1
1702 1 49 ILE MD 1 84 TYR QB . . 5.040 2.817 2.435 3.297 . 0 0 "[ . 1 . 2]" 1
1703 1 50 LEU HA 1 63 ILE QG . . 5.060 3.701 2.534 4.027 . 0 0 "[ . 1 . 2]" 1
1704 1 50 LEU QD 1 53 ALA MB . . 7.190 3.879 3.666 4.090 . 0 0 "[ . 1 . 2]" 1
1705 1 50 LEU QD 1 62 ASN QB . . 9.020 5.435 5.283 5.556 . 0 0 "[ . 1 . 2]" 1
1706 1 53 ALA MB 1 63 ILE QG . . 4.230 2.215 2.002 2.896 . 0 0 "[ . 1 . 2]" 1
1707 1 54 GLN QG 1 55 GLN H . . 4.820 4.353 4.222 4.406 . 0 0 "[ . 1 . 2]" 1
1708 1 55 GLN H 1 56 VAL QG . . 6.270 4.358 3.932 4.729 . 0 0 "[ . 1 . 2]" 1
1709 1 56 VAL QG 1 58 ILE HB . . 5.940 3.979 3.224 4.428 . 0 0 "[ . 1 . 2]" 1
1710 1 58 ILE HA 1 62 ASN QB . . 5.060 4.091 3.855 4.285 . 0 0 "[ . 1 . 2]" 1
1711 1 58 ILE HB 1 62 ASN QB . . 5.060 4.366 4.090 4.574 . 0 0 "[ . 1 . 2]" 1
1712 1 58 ILE HB 1 63 ILE QG . . 5.060 2.967 2.384 3.645 . 0 0 "[ . 1 . 2]" 1
1713 1 58 ILE MG 1 63 ILE QG . . 3.660 2.024 1.920 2.258 . 0 0 "[ . 1 . 2]" 1
1714 1 58 ILE QG 1 63 ILE QG . . 6.350 4.262 3.175 5.052 . 0 0 "[ . 1 . 2]" 1
1715 1 59 GLU H 1 62 ASN QB . . 4.110 2.341 2.203 2.648 . 0 0 "[ . 1 . 2]" 1
1716 1 59 GLU QB 1 62 ASN QB . . 4.510 2.828 2.326 3.230 . 0 0 "[ . 1 . 2]" 1
1717 1 60 LYS H 1 62 ASN QB . . 6.270 5.056 4.907 5.234 . 0 0 "[ . 1 . 2]" 1
1718 1 61 SER H 1 62 ASN QB . . 5.530 4.540 4.189 4.808 . 0 0 "[ . 1 . 2]" 1
1719 1 61 SER HA 1 64 GLU QB . . 4.110 2.641 2.243 3.819 . 0 0 "[ . 1 . 2]" 1
1720 1 62 ASN H 1 63 ILE QG . . 5.530 4.286 3.805 4.641 . 0 0 "[ . 1 . 2]" 1
1721 1 62 ASN QB 1 63 ILE HA . . 5.060 3.766 3.492 3.949 . 0 0 "[ . 1 . 2]" 1
1722 1 62 ASN QB 1 63 ILE QG . . 4.920 3.055 2.462 3.432 . 0 0 "[ . 1 . 2]" 1
1723 1 62 ASN QB 1 65 LYS QG . . 5.890 3.972 3.619 4.323 . 0 0 "[ . 1 . 2]" 1
1724 1 62 ASN QB 1 65 LYS QD . . 5.890 4.404 3.975 4.699 . 0 0 "[ . 1 . 2]" 1
1725 1 62 ASN QB 1 66 LEU H . . 5.530 4.473 4.121 4.767 . 0 0 "[ . 1 . 2]" 1
1726 1 63 ILE H 1 63 ILE QG . . 4.210 2.413 2.133 2.667 . 0 0 "[ . 1 . 2]" 1
1727 1 63 ILE H 1 64 GLU QB . . 5.530 4.386 3.970 4.923 . 0 0 "[ . 1 . 2]" 1
1728 1 63 ILE HA 1 66 LEU QB . . 5.060 2.534 2.179 3.184 . 0 0 "[ . 1 . 2]" 1
1729 1 63 ILE QG 1 64 GLU H . . 5.060 4.104 3.770 4.320 . 0 0 "[ . 1 . 2]" 1
1730 1 64 GLU QB 1 67 LEU QD . . 9.020 4.279 3.312 5.244 . 0 0 "[ . 1 . 2]" 1
1731 1 66 LEU H 1 66 LEU QB . . 3.190 2.311 2.184 2.408 . 0 0 "[ . 1 . 2]" 1
1732 1 66 LEU H 1 69 ASP QB . . 5.530 4.732 4.394 5.054 . 0 0 "[ . 1 . 2]" 1
1733 1 66 LEU QB 1 67 LEU H . . 4.210 2.555 2.293 2.779 . 0 0 "[ . 1 . 2]" 1
1734 1 66 LEU QB 1 67 LEU HG . . 5.060 4.045 3.620 4.654 . 0 0 "[ . 1 . 2]" 1
1735 1 66 LEU QB 1 70 MET ME . . 6.010 3.585 2.656 4.354 . 0 0 "[ . 1 . 2]" 1
1736 1 67 LEU QB 1 84 TYR QB . . 7.090 4.470 4.009 5.383 . 0 0 "[ . 1 . 2]" 1
1737 1 68 THR H 1 69 ASP QB . . 5.060 4.446 4.260 4.635 . 0 0 "[ . 1 . 2]" 1
1738 1 68 THR MG 1 69 ASP QB . . 6.010 4.214 3.305 4.399 . 0 0 "[ . 1 . 2]" 1
1739 1 69 ASP H 1 69 ASP QB . . 3.190 2.120 1.941 2.251 . 0 0 "[ . 1 . 2]" 1
1740 1 69 ASP QB 1 70 MET ME . . 7.140 4.746 2.575 5.371 . 0 0 "[ . 1 . 2]" 1
1741 1 69 ASP QB 1 72 LYS QB . . 5.880 4.436 4.003 4.713 . 0 0 "[ . 1 . 2]" 1
1742 1 70 MET QB 1 76 ILE QG . . 4.510 2.162 2.035 2.535 . 0 0 "[ . 1 . 2]" 1
1743 1 70 MET QG 1 76 ILE QG . . 5.880 4.093 2.743 4.438 . 0 0 "[ . 1 . 2]" 1
1744 1 71 ARG QB 1 76 ILE QG . . 4.910 2.247 2.126 2.449 . 0 0 "[ . 1 . 2]" 1
1745 1 71 ARG QB 1 77 TYR QB . . 5.880 4.149 3.705 4.598 . 0 0 "[ . 1 . 2]" 1
1746 1 71 ARG QG 1 76 ILE QG . . 5.050 3.802 3.631 3.982 . 0 0 "[ . 1 . 2]" 1
1747 1 75 ILE H 1 76 ILE QG . . 5.060 4.109 3.839 4.321 . 0 0 "[ . 1 . 2]" 1
1748 1 75 ILE HB 1 76 ILE QG . . 5.060 3.526 2.744 3.850 . 0 0 "[ . 1 . 2]" 1
1749 1 75 ILE MG 1 76 ILE QG . . 6.010 4.093 3.862 4.254 . 0 0 "[ . 1 . 2]" 1
1750 1 76 ILE HA 1 84 TYR QB . . 6.270 5.256 4.743 5.518 . 0 0 "[ . 1 . 2]" 1
1751 1 76 ILE MG 1 84 TYR QB . . 5.730 3.932 3.503 4.129 . 0 0 "[ . 1 . 2]" 1
1752 1 76 ILE QG 1 77 TYR H . . 5.060 2.977 2.742 3.301 . 0 0 "[ . 1 . 2]" 1
1753 1 76 ILE QG 1 77 TYR HA . . 5.060 3.328 3.046 3.737 . 0 0 "[ . 1 . 2]" 1
1754 1 76 ILE QG 1 84 TYR QB . . 4.930 3.208 2.904 3.504 . 0 0 "[ . 1 . 2]" 1
1755 1 77 TYR QB 1 85 LYS H . . 5.060 4.407 2.847 4.646 . 0 0 "[ . 1 . 2]" 1
1756 1 77 TYR QB 1 87 VAL QG . . 7.250 4.112 2.935 4.827 . 0 0 "[ . 1 . 2]" 1
1757 1 78 GLU QG 1 84 TYR QB . . 5.890 4.393 3.813 4.718 . 0 0 "[ . 1 . 2]" 1
1758 1 79 ALA MB 1 80 LYS QB . . 6.010 3.950 3.539 4.352 . 0 0 "[ . 1 . 2]" 1
1759 1 80 LYS QB 1 83 CYS H . . 5.060 3.626 2.556 4.282 . 0 0 "[ . 1 . 2]" 1
1760 1 80 LYS QB 1 83 CYS QB . . 5.880 2.179 1.983 3.646 . 0 0 "[ . 1 . 2]" 1
1761 1 83 CYS HA 1 84 TYR QB . . 5.060 4.352 4.172 4.473 . 0 0 "[ . 1 . 2]" 1
1762 1 86 LYS HA 1 87 VAL QG . . 5.730 3.918 2.923 4.339 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 80
_Distance_constraint_stats_list.Viol_count 343
_Distance_constraint_stats_list.Viol_total 332.551
_Distance_constraint_stats_list.Viol_max 0.100
_Distance_constraint_stats_list.Viol_rms 0.0229
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0104
_Distance_constraint_stats_list.Viol_average_violations_only 0.0485
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 12 ILE 0.652 0.061 20 0 "[ . 1 . 2]"
1 13 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ILE 1.180 0.093 14 0 "[ . 1 . 2]"
1 16 MET 0.652 0.061 20 0 "[ . 1 . 2]"
1 17 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LYS 1.180 0.093 14 0 "[ . 1 . 2]"
1 21 LYS 0.131 0.060 4 0 "[ . 1 . 2]"
1 22 SER 1.567 0.100 2 0 "[ . 1 . 2]"
1 23 ALA 0.073 0.050 7 0 "[ . 1 . 2]"
1 24 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLU 0.131 0.060 4 0 "[ . 1 . 2]"
1 26 LYS 1.808 0.100 2 0 "[ . 1 . 2]"
1 27 MET 0.503 0.079 9 0 "[ . 1 . 2]"
1 28 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LYS 1.119 0.079 19 0 "[ . 1 . 2]"
1 30 ILE 0.766 0.079 9 0 "[ . 1 . 2]"
1 31 ILE 0.567 0.079 9 0 "[ . 1 . 2]"
1 32 GLU 0.065 0.065 19 0 "[ . 1 . 2]"
1 33 ILE 1.207 0.079 19 0 "[ . 1 . 2]"
1 34 ILE 0.525 0.079 9 0 "[ . 1 . 2]"
1 35 ASP 0.137 0.047 6 0 "[ . 1 . 2]"
1 36 SER 0.065 0.065 19 0 "[ . 1 . 2]"
1 37 LEU 0.088 0.061 9 0 "[ . 1 . 2]"
1 38 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ALA 0.236 0.067 2 0 "[ . 1 . 2]"
1 46 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LYS 0.937 0.089 1 0 "[ . 1 . 2]"
1 48 ASP 0.209 0.061 3 0 "[ . 1 . 2]"
1 49 ILE 0.081 0.064 14 0 "[ . 1 . 2]"
1 50 LEU 0.994 0.089 11 0 "[ . 1 . 2]"
1 51 LYS 1.389 0.089 1 0 "[ . 1 . 2]"
1 52 GLU 0.216 0.061 3 0 "[ . 1 . 2]"
1 53 ALA 0.933 0.079 2 0 "[ . 1 . 2]"
1 54 GLN 0.994 0.089 11 0 "[ . 1 . 2]"
1 55 GLN 0.453 0.078 9 0 "[ . 1 . 2]"
1 56 VAL 0.007 0.007 8 0 "[ . 1 . 2]"
1 57 GLY 0.852 0.079 2 0 "[ . 1 . 2]"
1 60 LYS 1.132 0.089 5 0 "[ . 1 . 2]"
1 61 SER 0.605 0.087 15 0 "[ . 1 . 2]"
1 62 ASN 0.161 0.063 13 0 "[ . 1 . 2]"
1 63 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLU 2.288 0.089 5 0 "[ . 1 . 2]"
1 65 LYS 0.796 0.087 15 0 "[ . 1 . 2]"
1 66 LEU 0.161 0.063 13 0 "[ . 1 . 2]"
1 67 LEU 0.224 0.048 20 0 "[ . 1 . 2]"
1 68 THR 1.686 0.081 2 0 "[ . 1 . 2]"
1 69 ASP 0.387 0.078 13 0 "[ . 1 . 2]"
1 70 MET 0.693 0.069 9 0 "[ . 1 . 2]"
1 71 ARG 0.224 0.048 20 0 "[ . 1 . 2]"
1 72 LYS 0.530 0.077 20 0 "[ . 1 . 2]"
1 73 SER 0.196 0.072 5 0 "[ . 1 . 2]"
1 74 GLY 0.693 0.069 9 0 "[ . 1 . 2]"
1 75 ILE 1.741 0.082 3 0 "[ . 1 . 2]"
1 77 TYR 0.022 0.022 11 0 "[ . 1 . 2]"
1 82 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 TYR 0.236 0.067 2 0 "[ . 1 . 2]"
1 85 LYS 0.022 0.022 11 0 "[ . 1 . 2]"
1 87 VAL 1.741 0.082 3 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 12 ILE O 1 16 MET H . . 2.000 1.983 1.847 2.053 0.053 5 0 "[ . 1 . 2]" 2
2 1 12 ILE O 1 16 MET N . . 3.000 2.990 2.857 3.061 0.061 20 0 "[ . 1 . 2]" 2
3 1 13 ASP O 1 17 THR H . . 2.000 1.851 1.726 1.974 . 0 0 "[ . 1 . 2]" 2
4 1 13 ASP O 1 17 THR N . . 3.000 2.813 2.718 2.923 . 0 0 "[ . 1 . 2]" 2
5 1 15 ILE O 1 19 LYS H . . 2.000 2.057 1.961 2.093 0.093 14 0 "[ . 1 . 2]" 2
6 1 15 ILE O 1 19 LYS N . . 3.000 2.804 2.711 2.913 . 0 0 "[ . 1 . 2]" 2
7 1 21 LYS O 1 25 GLU H . . 2.000 1.867 1.736 2.060 0.060 4 0 "[ . 1 . 2]" 2
8 1 21 LYS O 1 25 GLU N . . 3.000 2.853 2.744 3.020 0.020 11 0 "[ . 1 . 2]" 2
9 1 22 SER O 1 26 LYS H . . 2.000 2.073 1.928 2.100 0.100 2 0 "[ . 1 . 2]" 2
10 1 22 SER O 1 26 LYS N . . 3.000 2.929 2.783 3.026 0.026 11 0 "[ . 1 . 2]" 2
11 1 23 ALA O 1 27 MET H . . 2.000 1.832 1.748 2.050 0.050 7 0 "[ . 1 . 2]" 2
12 1 23 ALA O 1 27 MET N . . 3.000 2.833 2.730 3.023 0.023 7 0 "[ . 1 . 2]" 2
13 1 24 ARG O 1 28 MET H . . 2.000 1.757 1.683 1.876 . 0 0 "[ . 1 . 2]" 2
14 1 24 ARG O 1 28 MET N . . 3.000 2.731 2.672 2.858 . 0 0 "[ . 1 . 2]" 2
15 1 26 LYS O 1 30 ILE H . . 2.000 1.927 1.819 2.045 0.045 11 0 "[ . 1 . 2]" 2
16 1 26 LYS O 1 30 ILE N . . 3.000 2.923 2.814 3.034 0.034 11 0 "[ . 1 . 2]" 2
17 1 27 MET O 1 31 ILE H . . 2.000 1.962 1.845 2.063 0.063 9 0 "[ . 1 . 2]" 2
18 1 27 MET O 1 31 ILE N . . 3.000 2.971 2.860 3.079 0.079 9 0 "[ . 1 . 2]" 2
19 1 29 LYS O 1 33 ILE H . . 2.000 2.002 1.866 2.079 0.079 19 0 "[ . 1 . 2]" 2
20 1 29 LYS O 1 33 ILE N . . 3.000 2.968 2.827 3.063 0.063 20 0 "[ . 1 . 2]" 2
21 1 30 ILE O 1 34 ILE H . . 2.000 1.953 1.774 2.079 0.079 9 0 "[ . 1 . 2]" 2
22 1 30 ILE O 1 34 ILE N . . 3.000 2.913 2.722 3.057 0.057 9 0 "[ . 1 . 2]" 2
23 1 31 ILE O 1 35 ASP H . . 2.000 1.846 1.723 2.047 0.047 14 0 "[ . 1 . 2]" 2
24 1 31 ILE O 1 35 ASP N . . 3.000 2.834 2.718 3.047 0.047 6 0 "[ . 1 . 2]" 2
25 1 32 GLU O 1 36 SER H . . 2.000 1.894 1.734 2.065 0.065 19 0 "[ . 1 . 2]" 2
26 1 32 GLU O 1 36 SER N . . 3.000 2.853 2.737 2.998 . 0 0 "[ . 1 . 2]" 2
27 1 33 ILE O 1 37 LEU H . . 2.000 1.903 1.798 2.061 0.061 9 0 "[ . 1 . 2]" 2
28 1 33 ILE O 1 37 LEU N . . 3.000 2.862 2.797 2.943 . 0 0 "[ . 1 . 2]" 2
29 1 34 ILE O 1 38 ALA H . . 2.000 1.855 1.757 1.991 . 0 0 "[ . 1 . 2]" 2
30 1 34 ILE O 1 38 ALA N . . 3.000 2.824 2.747 2.908 . 0 0 "[ . 1 . 2]" 2
31 1 46 VAL O 1 50 LEU H . . 2.000 1.777 1.708 1.942 . 0 0 "[ . 1 . 2]" 2
32 1 46 VAL O 1 50 LEU N . . 3.000 2.777 2.690 2.875 . 0 0 "[ . 1 . 2]" 2
33 1 47 LYS O 1 51 LYS H . . 2.000 2.031 1.834 2.089 0.089 1 0 "[ . 1 . 2]" 2
34 1 47 LYS O 1 51 LYS N . . 3.000 2.961 2.766 3.028 0.028 17 0 "[ . 1 . 2]" 2
35 1 48 ASP O 1 52 GLU H . . 2.000 1.886 1.780 2.057 0.057 3 0 "[ . 1 . 2]" 2
36 1 48 ASP O 1 52 GLU N . . 3.000 2.901 2.800 3.061 0.061 3 0 "[ . 1 . 2]" 2
37 1 49 ILE O 1 53 ALA H . . 2.000 1.835 1.737 2.064 0.064 14 0 "[ . 1 . 2]" 2
38 1 49 ILE O 1 53 ALA N . . 3.000 2.818 2.697 3.017 0.017 14 0 "[ . 1 . 2]" 2
39 1 50 LEU O 1 54 GLN H . . 2.000 2.005 1.853 2.089 0.089 11 0 "[ . 1 . 2]" 2
40 1 50 LEU O 1 54 GLN N . . 3.000 2.954 2.820 3.047 0.047 1 0 "[ . 1 . 2]" 2
41 1 51 LYS O 1 55 GLN H . . 2.000 1.961 1.836 2.078 0.078 9 0 "[ . 1 . 2]" 2
42 1 51 LYS O 1 55 GLN N . . 3.000 2.924 2.792 3.037 0.037 9 0 "[ . 1 . 2]" 2
43 1 52 GLU O 1 56 VAL H . . 2.000 1.868 1.798 2.007 0.007 8 0 "[ . 1 . 2]" 2
44 1 52 GLU O 1 56 VAL N . . 3.000 2.822 2.773 2.908 . 0 0 "[ . 1 . 2]" 2
45 1 53 ALA O 1 57 GLY H . . 2.000 2.037 1.959 2.079 0.079 2 0 "[ . 1 . 2]" 2
46 1 53 ALA O 1 57 GLY N . . 3.000 2.900 2.859 2.972 . 0 0 "[ . 1 . 2]" 2
47 1 60 LYS O 1 64 GLU H . . 2.000 2.032 1.908 2.089 0.089 5 0 "[ . 1 . 2]" 2
48 1 60 LYS O 1 64 GLU N . . 3.000 2.970 2.889 3.037 0.037 7 0 "[ . 1 . 2]" 2
49 1 61 SER O 1 65 LYS H . . 2.000 1.923 1.710 2.087 0.087 15 0 "[ . 1 . 2]" 2
50 1 61 SER O 1 65 LYS N . . 3.000 2.921 2.700 3.076 0.076 15 0 "[ . 1 . 2]" 2
51 1 62 ASN O 1 66 LEU H . . 2.000 1.883 1.747 2.063 0.063 13 0 "[ . 1 . 2]" 2
52 1 62 ASN O 1 66 LEU N . . 3.000 2.851 2.716 3.038 0.038 11 0 "[ . 1 . 2]" 2
53 1 63 ILE O 1 67 LEU H . . 2.000 1.784 1.729 1.884 . 0 0 "[ . 1 . 2]" 2
54 1 63 ILE O 1 67 LEU N . . 3.000 2.791 2.738 2.890 . 0 0 "[ . 1 . 2]" 2
55 1 64 GLU O 1 68 THR H . . 2.000 2.039 1.893 2.081 0.081 2 0 "[ . 1 . 2]" 2
56 1 64 GLU O 1 68 THR N . . 3.000 2.959 2.798 3.039 0.039 8 0 "[ . 1 . 2]" 2
57 1 65 LYS O 1 69 ASP H . . 2.000 1.871 1.718 2.078 0.078 13 0 "[ . 1 . 2]" 2
58 1 65 LYS O 1 69 ASP N . . 3.000 2.826 2.694 2.960 . 0 0 "[ . 1 . 2]" 2
59 1 66 LEU O 1 70 MET H . . 2.000 1.804 1.726 1.920 . 0 0 "[ . 1 . 2]" 2
60 1 66 LEU O 1 70 MET N . . 3.000 2.807 2.724 2.926 . 0 0 "[ . 1 . 2]" 2
61 1 67 LEU O 1 71 ARG H . . 2.000 1.921 1.788 2.044 0.044 20 0 "[ . 1 . 2]" 2
62 1 67 LEU O 1 71 ARG N . . 3.000 2.920 2.795 3.048 0.048 20 0 "[ . 1 . 2]" 2
63 1 68 THR O 1 72 LYS H . . 2.000 1.939 1.759 2.077 0.077 20 0 "[ . 1 . 2]" 2
64 1 68 THR O 1 72 LYS N . . 3.000 2.834 2.686 3.000 0.000 1 0 "[ . 1 . 2]" 2
65 1 69 ASP O 1 73 SER H . . 2.000 1.849 1.659 2.072 0.072 5 0 "[ . 1 . 2]" 2
66 1 69 ASP O 1 73 SER N . . 3.000 2.780 2.651 2.962 . 0 0 "[ . 1 . 2]" 2
67 1 70 MET O 1 74 GLY H . . 2.000 2.000 1.845 2.069 0.069 9 0 "[ . 1 . 2]" 2
68 1 70 MET O 1 74 GLY N . . 3.000 2.897 2.794 3.051 0.051 4 0 "[ . 1 . 2]" 2
69 1 46 VAL H 1 82 GLU O . . 2.000 1.760 1.683 1.827 . 0 0 "[ . 1 . 2]" 2
70 1 46 VAL N 1 82 GLU O . . 3.000 2.757 2.694 2.843 . 0 0 "[ . 1 . 2]" 2
71 1 44 ALA H 1 84 TYR O . . 2.000 1.770 1.716 1.856 . 0 0 "[ . 1 . 2]" 2
72 1 44 ALA N 1 84 TYR O . . 3.000 2.731 2.688 2.832 . 0 0 "[ . 1 . 2]" 2
73 1 44 ALA O 1 84 TYR H . . 2.000 1.912 1.800 2.067 0.067 2 0 "[ . 1 . 2]" 2
74 1 44 ALA O 1 84 TYR N . . 3.000 2.865 2.739 2.988 . 0 0 "[ . 1 . 2]" 2
75 1 77 TYR H 1 85 LYS O . . 2.000 1.835 1.723 2.022 0.022 11 0 "[ . 1 . 2]" 2
76 1 77 TYR N 1 85 LYS O . . 3.000 2.798 2.715 2.937 . 0 0 "[ . 1 . 2]" 2
77 1 77 TYR O 1 85 LYS H . . 2.000 1.803 1.727 1.898 . 0 0 "[ . 1 . 2]" 2
78 1 77 TYR O 1 85 LYS N . . 3.000 2.782 2.723 2.849 . 0 0 "[ . 1 . 2]" 2
79 1 75 ILE O 1 87 VAL H . . 2.000 2.040 1.827 2.082 0.082 3 0 "[ . 1 . 2]" 2
80 1 75 ILE O 1 87 VAL N . . 3.000 3.022 2.844 3.075 0.075 19 0 "[ . 1 . 2]" 2
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