NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
644159 |
6qxz   |
27251 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6qxz
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 1001
_Distance_constraint_stats_list.Viol_count 4492
_Distance_constraint_stats_list.Viol_total 6572.150
_Distance_constraint_stats_list.Viol_max 1.065
_Distance_constraint_stats_list.Viol_rms 0.0518
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0164
_Distance_constraint_stats_list.Viol_average_violations_only 0.0732
_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 2 SER 0.440 0.194 16 0 "[ . 1 . 2]"
1 3 ARG 1.244 0.194 16 0 "[ . 1 . 2]"
1 4 ARG 2.676 0.259 16 0 "[ . 1 . 2]"
1 5 ALA 1.494 0.259 16 0 "[ . 1 . 2]"
1 6 SER 5.820 0.298 19 0 "[ . 1 . 2]"
1 7 VAL 6.170 0.298 19 0 "[ . 1 . 2]"
1 8 GLY 4.250 0.229 11 0 "[ . 1 . 2]"
1 9 SER 3.077 0.316 14 0 "[ . 1 . 2]"
1 10 GLU 3.537 0.437 4 0 "[ . 1 . 2]"
1 11 PHE 4.783 0.494 12 0 "[ . 1 . 2]"
1 12 THR 5.671 0.494 12 0 "[ . 1 . 2]"
1 13 GLU 3.482 0.405 3 0 "[ . 1 . 2]"
1 14 SER 2.140 0.131 9 0 "[ . 1 . 2]"
1 15 ALA 8.605 0.306 4 0 "[ . 1 . 2]"
1 16 TRP 26.261 1.033 6 6 "[ **+ 1* * - 2]"
1 17 VAL 6.694 0.296 17 0 "[ . 1 . 2]"
1 18 ARG 10.368 0.217 6 0 "[ . 1 . 2]"
1 19 CYS 18.158 0.748 2 3 "[ + . * -. 2]"
1 20 ASP 2.848 0.110 3 0 "[ . 1 . 2]"
1 21 ASP 12.455 0.630 2 4 "[ + * 1 . -*]"
1 22 CYS 12.706 0.630 2 4 "[ + * 1 . -*]"
1 23 PHE 12.643 0.748 2 3 "[ + . * -. 2]"
1 24 LYS 10.220 0.433 12 0 "[ . 1 . 2]"
1 25 TRP 22.879 0.413 17 0 "[ . 1 . 2]"
1 26 ARG 5.512 0.150 16 0 "[ . 1 . 2]"
1 27 ARG 2.674 0.266 6 0 "[ . 1 . 2]"
1 28 ILE 6.923 0.176 8 0 "[ . 1 . 2]"
1 29 PRO 1.593 0.131 9 0 "[ . 1 . 2]"
1 30 ALA 5.296 0.277 8 0 "[ . 1 . 2]"
1 31 SER 2.470 0.519 18 1 "[ . 1 . + 2]"
1 32 VAL 20.495 1.065 20 3 "[ - 1 . * +]"
1 33 VAL 20.728 0.403 13 0 "[ . 1 . 2]"
1 34 GLY 10.293 0.403 13 0 "[ . 1 . 2]"
1 35 SER 4.327 0.353 14 0 "[ . 1 . 2]"
1 36 ILE 17.379 1.065 20 2 "[ - 1 . +]"
1 37 ASP 2.723 0.435 3 0 "[ . 1 . 2]"
1 38 GLU 1.244 0.106 14 0 "[ . 1 . 2]"
1 39 SER 2.575 0.435 3 0 "[ . 1 . 2]"
1 40 SER 0.812 0.145 18 0 "[ . 1 . 2]"
1 41 ARG 1.392 0.151 3 0 "[ . 1 . 2]"
1 42 TRP 16.355 0.446 5 0 "[ . 1 . 2]"
1 43 ILE 22.670 0.703 7 20 [******+******-******]
1 44 CYS 26.296 0.703 7 20 [******+******-******]
1 45 MET 5.928 0.139 17 0 "[ . 1 . 2]"
1 46 ASN 9.376 0.361 12 0 "[ . 1 . 2]"
1 47 ASN 6.286 0.306 7 0 "[ . 1 . 2]"
1 48 SER 5.643 0.163 12 0 "[ . 1 . 2]"
1 49 ASP 8.608 0.163 12 0 "[ . 1 . 2]"
1 50 LYS 8.305 0.347 13 0 "[ . 1 . 2]"
1 51 ARG 3.043 0.098 10 0 "[ . 1 . 2]"
1 52 PHE 11.614 0.205 15 0 "[ . 1 . 2]"
1 53 ALA 9.765 0.169 1 0 "[ . 1 . 2]"
1 54 ASP 8.316 0.242 12 0 "[ . 1 . 2]"
1 55 CYS 6.056 0.239 20 0 "[ . 1 . 2]"
1 56 SER 5.950 0.173 9 0 "[ . 1 . 2]"
1 57 LYS 10.819 0.242 12 0 "[ . 1 . 2]"
1 58 SER 4.735 0.199 15 0 "[ . 1 . 2]"
1 59 GLN 4.312 0.205 15 0 "[ . 1 . 2]"
1 60 GLU 3.537 0.175 15 0 "[ . 1 . 2]"
1 61 MET 5.435 0.129 13 0 "[ . 1 . 2]"
1 62 SER 5.661 0.221 19 0 "[ . 1 . 2]"
1 63 ASN 7.272 0.221 19 0 "[ . 1 . 2]"
1 64 GLU 1.581 0.106 5 0 "[ . 1 . 2]"
1 65 GLU 1.329 0.060 12 0 "[ . 1 . 2]"
1 66 ILE 12.450 0.261 14 0 "[ . 1 . 2]"
1 67 ASN 10.160 0.261 14 0 "[ . 1 . 2]"
1 68 GLU 6.788 0.262 2 0 "[ . 1 . 2]"
1 69 GLU 7.054 0.262 2 0 "[ . 1 . 2]"
1 70 LEU 9.309 0.537 17 1 "[ . 1 . + 2]"
1 71 GLY 4.873 0.537 17 1 "[ . 1 . + 2]"
1 72 ILE 2.813 0.071 3 0 "[ . 1 . 2]"
1 73 GLY 3.114 0.433 18 0 "[ . 1 . 2]"
1 74 GLN 13.496 0.433 18 0 "[ . 1 . 2]"
1 75 ASP 5.630 0.370 9 0 "[ . 1 . 2]"
1 76 GLU 5.710 0.207 10 0 "[ . 1 . 2]"
1 77 ALA 5.766 0.157 12 0 "[ . 1 . 2]"
1 78 ASP 1.533 0.140 13 0 "[ . 1 . 2]"
1 79 ALA 2.243 0.151 14 0 "[ . 1 . 2]"
2 1 ALA 0.597 0.090 10 0 "[ . 1 . 2]"
2 2 ARG 3.489 0.346 10 0 "[ . 1 . 2]"
2 3 THR 9.150 0.346 10 0 "[ . 1 . 2]"
2 5 GLN 7.133 1.033 6 6 "[ **+ 1* * - 2]"
2 6 THR 5.298 0.330 7 0 "[ . 1 . 2]"
2 7 ALA 1.199 0.099 1 0 "[ . 1 . 2]"
2 8 ARG 3.710 0.479 14 0 "[ . 1 . 2]"
2 9 TYR 2.405 0.479 14 0 "[ . 1 . 2]"
3 1 ZN 10.757 0.231 5 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 2 SER HA 1 3 ARG H . . 3.140 2.569 2.146 3.334 0.194 16 0 "[ . 1 . 2]" 1
2 1 3 ARG H 1 3 ARG HB2 . . 4.110 2.644 2.056 3.665 . 0 0 "[ . 1 . 2]" 1
3 1 3 ARG H 1 3 ARG QB . . 3.500 2.507 2.034 3.388 . 0 0 "[ . 1 . 2]" 1
4 1 3 ARG H 1 3 ARG HB3 . . 4.110 3.520 2.357 4.084 . 0 0 "[ . 1 . 2]" 1
5 1 3 ARG H 1 3 ARG HD2 . . 4.890 3.647 1.902 5.049 0.159 17 0 "[ . 1 . 2]" 1
6 1 3 ARG H 1 3 ARG QD . . 4.290 3.176 1.889 4.345 0.055 9 0 "[ . 1 . 2]" 1
7 1 3 ARG H 1 3 ARG HD3 . . 4.890 3.728 2.212 4.924 0.034 3 0 "[ . 1 . 2]" 1
8 1 3 ARG H 1 3 ARG QG . . 4.650 3.249 2.150 4.515 . 0 0 "[ . 1 . 2]" 1
9 1 3 ARG H 1 4 ARG H . . 3.270 2.787 2.202 3.387 0.117 1 0 "[ . 1 . 2]" 1
10 1 3 ARG HA 1 3 ARG HD2 . . 4.980 3.326 2.182 4.907 . 0 0 "[ . 1 . 2]" 1
11 1 3 ARG HA 1 3 ARG HD3 . . 4.980 3.702 2.122 4.846 . 0 0 "[ . 1 . 2]" 1
12 1 3 ARG HA 1 3 ARG QG . . 3.700 2.718 2.362 3.381 . 0 0 "[ . 1 . 2]" 1
13 1 3 ARG QB 1 3 ARG QD . . 2.610 2.354 2.090 2.701 0.091 14 0 "[ . 1 . 2]" 1
14 1 3 ARG HB2 1 3 ARG QG . . 2.400 2.328 2.174 2.459 0.059 8 0 "[ . 1 . 2]" 1
15 1 3 ARG HB3 1 3 ARG QG . . 2.400 2.251 2.132 2.426 0.026 19 0 "[ . 1 . 2]" 1
16 1 4 ARG H 1 4 ARG QB . . 3.670 2.787 2.166 3.462 . 0 0 "[ . 1 . 2]" 1
17 1 4 ARG H 1 4 ARG QD . . 4.480 3.579 1.827 4.558 0.078 15 0 "[ . 1 . 2]" 1
18 1 4 ARG H 1 4 ARG QG . . 4.510 2.855 1.871 4.517 0.007 13 0 "[ . 1 . 2]" 1
19 1 4 ARG HA 1 4 ARG QG . . 3.560 2.983 2.409 3.566 0.006 9 0 "[ . 1 . 2]" 1
20 1 4 ARG QB 1 4 ARG QD . . 2.870 2.396 2.124 2.889 0.019 1 0 "[ . 1 . 2]" 1
21 1 4 ARG QB 1 5 ALA H . . 3.070 2.559 2.084 3.112 0.042 4 0 "[ . 1 . 2]" 1
22 1 4 ARG QB 1 18 ARG HE . . 4.700 4.585 3.229 4.790 0.090 16 0 "[ . 1 . 2]" 1
23 1 4 ARG HB2 1 4 ARG QD . . 3.460 3.127 2.230 3.542 0.082 1 0 "[ . 1 . 2]" 1
24 1 4 ARG HB2 1 4 ARG QG . . 2.400 2.234 2.137 2.416 0.016 8 0 "[ . 1 . 2]" 1
25 1 4 ARG HB2 1 5 ALA H . . 3.710 3.059 2.226 3.762 0.052 7 0 "[ . 1 . 2]" 1
26 1 4 ARG HB3 1 4 ARG QD . . 3.460 2.620 2.247 3.499 0.039 4 0 "[ . 1 . 2]" 1
27 1 4 ARG HB3 1 4 ARG QG . . 2.400 2.320 2.134 2.426 0.026 15 0 "[ . 1 . 2]" 1
28 1 4 ARG HB3 1 5 ALA H . . 3.710 3.183 2.106 3.969 0.259 16 0 "[ . 1 . 2]" 1
29 1 4 ARG QG 1 18 ARG HE . . 4.650 4.281 2.946 4.858 0.208 13 0 "[ . 1 . 2]" 1
30 1 5 ALA HA 1 6 SER H . . 2.630 2.363 2.056 2.801 0.171 16 0 "[ . 1 . 2]" 1
31 1 5 ALA MB 1 6 SER H . . 2.450 2.396 1.899 2.584 0.134 4 0 "[ . 1 . 2]" 1
32 1 6 SER H 1 6 SER HB2 . . 4.070 3.873 3.621 4.098 0.028 5 0 "[ . 1 . 2]" 1
33 1 6 SER H 1 6 SER QB . . 3.240 3.035 2.413 3.367 0.127 5 0 "[ . 1 . 2]" 1
34 1 6 SER H 1 6 SER HB3 . . 4.070 3.186 2.448 3.606 . 0 0 "[ . 1 . 2]" 1
35 1 6 SER HA 1 6 SER HB2 . . 2.400 2.424 2.353 2.499 0.099 20 0 "[ . 1 . 2]" 1
36 1 6 SER HA 1 6 SER HB3 . . 2.400 2.386 2.260 2.455 0.055 15 0 "[ . 1 . 2]" 1
37 1 6 SER HA 1 7 VAL H . . 3.080 2.505 2.109 3.320 0.240 11 0 "[ . 1 . 2]" 1
38 1 6 SER HA 1 7 VAL QG . . 3.650 3.513 2.630 3.948 0.298 19 0 "[ . 1 . 2]" 1
39 1 6 SER HB2 1 7 VAL H . . 3.440 2.210 1.964 2.569 . 0 0 "[ . 1 . 2]" 1
40 1 6 SER HB3 1 7 VAL H . . 3.440 3.529 3.344 3.609 0.169 13 0 "[ . 1 . 2]" 1
41 1 7 VAL H 1 7 VAL MG1 . . 4.470 2.820 2.168 3.386 . 0 0 "[ . 1 . 2]" 1
42 1 7 VAL H 1 7 VAL MG2 . . 4.470 3.067 1.987 4.183 . 0 0 "[ . 1 . 2]" 1
43 1 7 VAL H 1 8 GLY H . . 4.730 4.463 4.308 4.654 . 0 0 "[ . 1 . 2]" 1
44 1 7 VAL HA 1 8 GLY H . . 2.960 2.353 2.287 2.444 . 0 0 "[ . 1 . 2]" 1
45 1 7 VAL HB 1 8 GLY H . . 4.210 2.864 2.099 4.080 . 0 0 "[ . 1 . 2]" 1
46 1 7 VAL QG 1 8 GLY H . . 2.970 2.755 2.051 3.129 0.159 20 0 "[ . 1 . 2]" 1
47 1 7 VAL MG1 1 8 GLY H . . 3.460 3.499 3.468 3.522 0.062 15 0 "[ . 1 . 2]" 1
48 1 7 VAL MG2 1 8 GLY H . . 3.460 2.991 2.064 3.512 0.052 12 0 "[ . 1 . 2]" 1
49 1 8 GLY H 1 9 SER H . . 3.810 3.571 2.402 4.039 0.229 11 0 "[ . 1 . 2]" 1
50 1 8 GLY QA 1 9 SER H . . 2.600 2.315 2.061 2.729 0.129 9 0 "[ . 1 . 2]" 1
51 1 9 SER H 1 9 SER QB . . 3.150 2.790 2.389 3.233 0.083 8 0 "[ . 1 . 2]" 1
52 1 9 SER H 1 10 GLU H . . 4.480 4.387 2.861 4.602 0.122 9 0 "[ . 1 . 2]" 1
53 1 9 SER HA 1 9 SER QB . . 2.400 2.324 2.170 2.409 0.009 7 0 "[ . 1 . 2]" 1
54 1 9 SER HA 1 10 GLU H . . 2.760 2.367 2.116 3.076 0.316 14 0 "[ . 1 . 2]" 1
55 1 9 SER QB 1 10 GLU H . . 3.180 2.771 2.384 3.298 0.118 14 0 "[ . 1 . 2]" 1
56 1 10 GLU H 1 10 GLU HB2 . . 4.170 3.117 2.318 4.037 . 0 0 "[ . 1 . 2]" 1
57 1 10 GLU H 1 10 GLU QB . . 3.500 2.702 2.292 3.297 . 0 0 "[ . 1 . 2]" 1
58 1 10 GLU H 1 10 GLU HB3 . . 4.170 3.407 2.469 4.071 . 0 0 "[ . 1 . 2]" 1
59 1 10 GLU H 1 10 GLU QG . . 4.510 2.977 2.066 4.288 . 0 0 "[ . 1 . 2]" 1
60 1 10 GLU H 1 11 PHE H . . 4.540 4.253 2.148 4.627 0.087 9 0 "[ . 1 . 2]" 1
61 1 10 GLU HA 1 10 GLU QG . . 3.610 2.806 2.316 3.526 . 0 0 "[ . 1 . 2]" 1
62 1 10 GLU HA 1 11 PHE H . . 2.560 2.400 2.114 2.997 0.437 4 0 "[ . 1 . 2]" 1
63 1 10 GLU QB 1 11 PHE H . . 3.150 2.742 2.128 3.344 0.194 6 0 "[ . 1 . 2]" 1
64 1 10 GLU HB2 1 10 GLU QG . . 2.400 2.370 2.154 2.436 0.036 3 0 "[ . 1 . 2]" 1
65 1 10 GLU HB3 1 10 GLU QG . . 2.400 2.315 2.124 2.430 0.030 10 0 "[ . 1 . 2]" 1
66 1 11 PHE H 1 11 PHE QD . . 4.840 3.219 2.088 4.562 . 0 0 "[ . 1 . 2]" 1
67 1 11 PHE H 1 12 THR H . . 3.060 2.694 1.970 3.545 0.485 7 0 "[ . 1 . 2]" 1
68 1 11 PHE HA 1 11 PHE QD . . 4.310 2.697 2.196 3.080 . 0 0 "[ . 1 . 2]" 1
69 1 11 PHE HA 1 11 PHE QE . . 4.810 4.626 4.522 4.877 0.067 7 0 "[ . 1 . 2]" 1
70 1 11 PHE HB2 1 12 THR H . . 3.490 2.796 2.005 3.984 0.494 12 0 "[ . 1 . 2]" 1
71 1 11 PHE HB3 1 12 THR H . . 3.490 3.118 2.177 3.686 0.196 6 0 "[ . 1 . 2]" 1
72 1 12 THR H 1 12 THR MG . . 4.420 3.424 2.278 4.059 . 0 0 "[ . 1 . 2]" 1
73 1 12 THR H 1 13 GLU H . . 5.040 4.583 4.202 4.764 . 0 0 "[ . 1 . 2]" 1
74 1 12 THR HA 1 12 THR HB . . 2.810 2.743 2.360 2.992 0.182 5 0 "[ . 1 . 2]" 1
75 1 12 THR HA 1 13 GLU H . . 2.900 2.587 1.989 3.019 0.119 17 0 "[ . 1 . 2]" 1
76 1 12 THR HB 1 13 GLU H . . 3.480 2.836 1.799 3.606 0.126 18 0 "[ . 1 . 2]" 1
77 1 12 THR MG 1 13 GLU H . . 3.110 2.475 1.649 3.375 0.265 17 0 "[ . 1 . 2]" 1
78 1 13 GLU H 1 13 GLU HB2 . . 4.060 2.678 2.239 3.644 . 0 0 "[ . 1 . 2]" 1
79 1 13 GLU H 1 13 GLU QB . . 3.480 2.542 2.128 3.399 . 0 0 "[ . 1 . 2]" 1
80 1 13 GLU H 1 13 GLU HB3 . . 4.060 3.321 2.524 4.065 0.005 8 0 "[ . 1 . 2]" 1
81 1 13 GLU H 1 13 GLU HG2 . . 4.650 4.134 3.094 4.745 0.095 18 0 "[ . 1 . 2]" 1
82 1 13 GLU H 1 13 GLU QG . . 4.060 3.325 2.087 4.185 0.125 3 0 "[ . 1 . 2]" 1
83 1 13 GLU H 1 13 GLU HG3 . . 4.650 3.572 2.107 4.774 0.124 3 0 "[ . 1 . 2]" 1
84 1 13 GLU H 1 14 SER H . . 4.690 4.284 2.243 4.697 0.007 20 0 "[ . 1 . 2]" 1
85 1 13 GLU HA 1 13 GLU QB . . 2.620 2.405 2.340 2.497 . 0 0 "[ . 1 . 2]" 1
86 1 13 GLU HA 1 13 GLU HG2 . . 3.000 2.741 2.190 3.405 0.405 3 0 "[ . 1 . 2]" 1
87 1 13 GLU HA 1 13 GLU HG3 . . 3.000 2.697 2.220 3.053 0.053 19 0 "[ . 1 . 2]" 1
88 1 13 GLU HA 1 14 SER H . . 3.460 2.671 2.263 3.533 0.073 18 0 "[ . 1 . 2]" 1
89 1 13 GLU QB 1 13 GLU QG . . 2.290 2.104 1.916 2.125 . 0 0 "[ . 1 . 2]" 1
90 1 13 GLU QB 1 14 SER H . . 3.070 2.671 1.892 3.177 0.107 3 0 "[ . 1 . 2]" 1
91 1 13 GLU QG 1 14 SER H . . 4.010 2.967 1.716 4.069 0.059 16 0 "[ . 1 . 2]" 1
92 1 14 SER H 1 15 ALA H . . 5.180 4.613 4.256 4.703 . 0 0 "[ . 1 . 2]" 1
93 1 14 SER H 1 30 ALA H . . 4.000 3.873 3.250 4.090 0.090 2 0 "[ . 1 . 2]" 1
94 1 14 SER H 1 30 ALA MB . . 3.530 3.422 2.522 3.599 0.069 7 0 "[ . 1 . 2]" 1
95 1 14 SER HA 1 15 ALA H . . 2.540 2.218 2.123 2.331 . 0 0 "[ . 1 . 2]" 1
96 1 14 SER HA 1 29 PRO HA . . 2.780 2.719 2.253 2.911 0.131 9 0 "[ . 1 . 2]" 1
97 1 14 SER HA 1 30 ALA H . . 2.730 2.173 1.990 2.277 . 0 0 "[ . 1 . 2]" 1
98 1 14 SER HA 1 30 ALA MB . . 3.250 2.769 2.492 3.135 . 0 0 "[ . 1 . 2]" 1
99 1 14 SER QB 1 15 ALA H . . 2.850 2.803 2.469 2.910 0.060 8 0 "[ . 1 . 2]" 1
100 1 15 ALA H 1 16 TRP H . . 4.460 4.474 4.443 4.513 0.053 5 0 "[ . 1 . 2]" 1
101 1 15 ALA H 1 28 ILE H . . 4.000 3.446 3.225 3.588 . 0 0 "[ . 1 . 2]" 1
102 1 15 ALA H 1 28 ILE HG12 . . 3.640 3.762 3.727 3.816 0.176 8 0 "[ . 1 . 2]" 1
103 1 15 ALA H 1 28 ILE QG . . 3.170 2.949 2.738 3.182 0.012 6 0 "[ . 1 . 2]" 1
104 1 15 ALA H 1 28 ILE HG13 . . 3.640 3.091 2.813 3.426 . 0 0 "[ . 1 . 2]" 1
105 1 15 ALA H 1 29 PRO HA . . 3.570 3.608 3.503 3.669 0.099 5 0 "[ . 1 . 2]" 1
106 1 15 ALA H 1 30 ALA H . . 3.680 3.782 3.724 3.836 0.156 12 0 "[ . 1 . 2]" 1
107 1 15 ALA HA 1 16 TRP H . . 2.900 2.600 2.537 2.687 . 0 0 "[ . 1 . 2]" 1
108 1 15 ALA HA 1 16 TRP HD1 . . 3.830 3.350 3.021 3.578 . 0 0 "[ . 1 . 2]" 1
109 1 15 ALA HA 1 28 ILE H . . 4.840 4.775 4.589 4.870 0.030 10 0 "[ . 1 . 2]" 1
110 1 15 ALA HA 1 33 VAL QG . . 4.100 4.177 3.867 4.406 0.306 4 0 "[ . 1 . 2]" 1
111 1 15 ALA MB 1 16 TRP H . . 2.650 2.225 2.068 2.416 . 0 0 "[ . 1 . 2]" 1
112 1 15 ALA MB 1 28 ILE MD . . 4.130 3.379 2.745 4.143 0.013 6 0 "[ . 1 . 2]" 1
113 1 15 ALA MB 1 30 ALA HA . . 3.860 3.444 2.862 3.920 0.060 9 0 "[ . 1 . 2]" 1
114 1 15 ALA MB 1 33 VAL HB . . 3.250 2.542 2.227 3.034 . 0 0 "[ . 1 . 2]" 1
115 1 15 ALA MB 1 33 VAL MG1 . . 2.950 2.211 1.882 2.460 . 0 0 "[ . 1 . 2]" 1
116 1 15 ALA MB 1 33 VAL MG2 . . 2.950 2.315 2.077 2.774 . 0 0 "[ . 1 . 2]" 1
117 1 15 ALA MB 2 3 THR MG . . 4.110 3.689 3.261 4.183 0.073 17 0 "[ . 1 . 2]" 1
118 1 15 ALA MB 2 5 GLN QB . . 3.140 2.498 1.969 3.205 0.065 11 0 "[ . 1 . 2]" 1
119 1 16 TRP H 1 16 TRP HD1 . . 4.050 2.573 2.290 3.125 . 0 0 "[ . 1 . 2]" 1
120 1 16 TRP H 1 17 VAL H . . 4.580 4.525 4.345 4.586 0.006 5 0 "[ . 1 . 2]" 1
121 1 16 TRP H 1 28 ILE H . . 4.720 4.743 4.691 4.782 0.062 8 0 "[ . 1 . 2]" 1
122 1 16 TRP H 1 33 VAL QG . . 3.830 3.945 3.601 4.168 0.338 9 0 "[ . 1 . 2]" 1
123 1 16 TRP H 1 70 LEU QD . . 4.600 4.437 4.209 4.542 . 0 0 "[ . 1 . 2]" 1
124 1 16 TRP H 2 5 GLN H . . 5.170 4.813 4.288 5.176 0.006 6 0 "[ . 1 . 2]" 1
125 1 16 TRP H 2 5 GLN HA . . 3.260 2.897 2.504 3.503 0.243 11 0 "[ . 1 . 2]" 1
126 1 16 TRP H 2 5 GLN QB . . 4.190 4.169 3.403 5.223 1.033 6 6 "[ **+ 1* * - 2]" 1
127 1 16 TRP H 2 6 THR H . . 5.170 3.859 3.294 5.339 0.169 5 0 "[ . 1 . 2]" 1
128 1 16 TRP HA 1 16 TRP HD1 . . 4.410 3.897 3.699 4.015 . 0 0 "[ . 1 . 2]" 1
129 1 16 TRP HA 1 16 TRP HE3 . . 3.720 3.555 3.405 3.721 0.001 17 0 "[ . 1 . 2]" 1
130 1 16 TRP HA 1 17 VAL H . . 2.710 2.365 2.157 2.414 . 0 0 "[ . 1 . 2]" 1
131 1 16 TRP HA 1 17 VAL QG . . 3.590 3.686 3.558 3.796 0.206 13 0 "[ . 1 . 2]" 1
132 1 16 TRP HA 1 26 ARG H . . 3.980 4.091 4.004 4.130 0.150 16 0 "[ . 1 . 2]" 1
133 1 16 TRP HA 1 27 ARG HA . . 3.100 2.372 2.189 2.718 . 0 0 "[ . 1 . 2]" 1
134 1 16 TRP HA 1 28 ILE H . . 2.880 2.906 2.808 2.967 0.087 3 0 "[ . 1 . 2]" 1
135 1 16 TRP HA 1 28 ILE QG . . 3.220 2.976 2.721 3.238 0.018 5 0 "[ . 1 . 2]" 1
136 1 16 TRP HA 1 28 ILE MG . . 3.720 3.698 3.529 3.761 0.041 8 0 "[ . 1 . 2]" 1
137 1 16 TRP QB 1 16 TRP HD1 . . 2.730 2.715 2.642 2.760 0.030 17 0 "[ . 1 . 2]" 1
138 1 16 TRP QB 1 16 TRP HE3 . . 3.440 2.487 2.278 2.564 . 0 0 "[ . 1 . 2]" 1
139 1 16 TRP QB 1 16 TRP HZ3 . . 5.210 4.803 4.605 4.888 . 0 0 "[ . 1 . 2]" 1
140 1 16 TRP QB 1 25 TRP HE3 . . 3.000 2.732 2.597 2.883 . 0 0 "[ . 1 . 2]" 1
141 1 16 TRP HB2 1 17 VAL H . . 3.570 3.550 3.472 3.780 0.210 17 0 "[ . 1 . 2]" 1
142 1 16 TRP HB2 1 25 TRP HE3 . . 3.630 3.657 3.364 3.740 0.110 2 0 "[ . 1 . 2]" 1
143 1 16 TRP HB3 1 17 VAL H . . 3.570 2.332 2.263 2.668 . 0 0 "[ . 1 . 2]" 1
144 1 16 TRP HB3 1 25 TRP HE3 . . 3.630 2.822 2.656 3.004 . 0 0 "[ . 1 . 2]" 1
145 1 16 TRP HD1 1 70 LEU MD1 . . 4.060 3.654 3.253 3.937 . 0 0 "[ . 1 . 2]" 1
146 1 16 TRP HD1 1 70 LEU QD . . 3.210 3.168 2.960 3.336 0.126 2 0 "[ . 1 . 2]" 1
147 1 16 TRP HD1 1 70 LEU MD2 . . 4.060 3.485 3.397 3.614 . 0 0 "[ . 1 . 2]" 1
148 1 16 TRP HE1 1 66 ILE MD . . 3.630 2.363 1.981 2.614 . 0 0 "[ . 1 . 2]" 1
149 1 16 TRP HE1 1 69 GLU QB . . 4.610 4.676 4.589 4.712 0.102 6 0 "[ . 1 . 2]" 1
150 1 16 TRP HE1 1 70 LEU MD1 . . 4.340 3.854 3.402 4.154 . 0 0 "[ . 1 . 2]" 1
151 1 16 TRP HE1 1 70 LEU QD . . 3.800 3.611 3.288 3.800 0.000 17 0 "[ . 1 . 2]" 1
152 1 16 TRP HE1 1 70 LEU MD2 . . 4.340 4.383 4.355 4.435 0.095 10 0 "[ . 1 . 2]" 1
153 1 16 TRP HE1 1 70 LEU HG . . 5.370 4.872 4.484 5.155 . 0 0 "[ . 1 . 2]" 1
154 1 16 TRP HE1 2 6 THR HA . . 4.560 4.582 4.372 4.708 0.148 17 0 "[ . 1 . 2]" 1
155 1 16 TRP HE1 2 6 THR HB . . 3.700 3.587 2.699 3.897 0.197 1 0 "[ . 1 . 2]" 1
156 1 16 TRP HE1 2 6 THR MG . . 3.700 1.934 1.664 3.033 . 0 0 "[ . 1 . 2]" 1
157 1 16 TRP HE3 1 17 VAL H . . 3.450 3.498 3.409 3.746 0.296 17 0 "[ . 1 . 2]" 1
158 1 16 TRP HE3 1 25 TRP HB2 . . 3.250 3.216 3.038 3.323 0.073 6 0 "[ . 1 . 2]" 1
159 1 16 TRP HE3 1 25 TRP QB . . 2.820 2.176 2.109 2.297 . 0 0 "[ . 1 . 2]" 1
160 1 16 TRP HE3 1 25 TRP HB3 . . 3.250 2.214 2.136 2.347 . 0 0 "[ . 1 . 2]" 1
161 1 16 TRP HH2 1 27 ARG H . . 4.660 4.633 4.231 4.702 0.042 17 0 "[ . 1 . 2]" 1
162 1 16 TRP HH2 1 60 GLU H . . 3.870 3.961 3.883 4.045 0.175 15 0 "[ . 1 . 2]" 1
163 1 16 TRP HZ2 1 27 ARG QB . . 3.770 3.697 3.222 3.862 0.092 3 0 "[ . 1 . 2]" 1
164 1 16 TRP HZ2 1 66 ILE HA . . 4.770 4.802 4.267 4.916 0.146 3 0 "[ . 1 . 2]" 1
165 1 16 TRP HZ3 1 61 MET H . . 3.660 3.637 3.057 3.789 0.129 13 0 "[ . 1 . 2]" 1
166 1 17 VAL H 1 17 VAL QG . . 3.830 2.433 2.247 2.485 . 0 0 "[ . 1 . 2]" 1
167 1 17 VAL H 1 18 ARG H . . 5.270 4.342 4.281 4.502 . 0 0 "[ . 1 . 2]" 1
168 1 17 VAL H 1 25 TRP HA . . 4.050 4.049 3.893 4.106 0.056 1 0 "[ . 1 . 2]" 1
169 1 17 VAL H 1 26 ARG H . . 3.850 2.480 2.337 2.589 . 0 0 "[ . 1 . 2]" 1
170 1 17 VAL H 1 27 ARG HA . . 4.550 4.130 3.993 4.351 . 0 0 "[ . 1 . 2]" 1
171 1 17 VAL H 1 28 ILE H . . 4.610 4.630 4.465 4.710 0.100 4 0 "[ . 1 . 2]" 1
172 1 17 VAL H 1 28 ILE MD . . 4.400 4.093 3.870 4.286 . 0 0 "[ . 1 . 2]" 1
173 1 17 VAL H 1 28 ILE MG . . 3.710 3.671 3.363 3.752 0.042 2 0 "[ . 1 . 2]" 1
174 1 17 VAL H 2 3 THR HB . . 5.480 5.039 4.610 5.545 0.065 17 0 "[ . 1 . 2]" 1
175 1 17 VAL HA 1 18 ARG H . . 2.600 2.229 2.138 2.290 . 0 0 "[ . 1 . 2]" 1
176 1 17 VAL HA 2 3 THR HB . . 3.790 2.547 2.303 2.839 . 0 0 "[ . 1 . 2]" 1
177 1 17 VAL HB 1 18 ARG H . . 4.260 4.051 3.972 4.150 . 0 0 "[ . 1 . 2]" 1
178 1 17 VAL HB 1 28 ILE MD . . 3.390 2.100 2.042 2.187 . 0 0 "[ . 1 . 2]" 1
179 1 17 VAL HB 1 28 ILE MG . . 4.080 3.484 3.361 3.642 . 0 0 "[ . 1 . 2]" 1
180 1 17 VAL HB 1 36 ILE QG . . 4.180 4.178 3.865 4.295 0.115 5 0 "[ . 1 . 2]" 1
181 1 17 VAL HB 2 3 THR HB . . 5.500 4.740 4.500 5.097 . 0 0 "[ . 1 . 2]" 1
182 1 17 VAL HB 2 3 THR HG1 . . 5.500 4.841 3.934 5.304 . 0 0 "[ . 1 . 2]" 1
183 1 17 VAL QG 1 18 ARG H . . 3.500 2.365 2.261 2.482 . 0 0 "[ . 1 . 2]" 1
184 1 17 VAL QG 1 18 ARG HA . . 3.930 3.737 3.645 3.790 . 0 0 "[ . 1 . 2]" 1
185 1 17 VAL QG 1 19 CYS H . . 4.280 4.301 4.009 4.434 0.154 16 0 "[ . 1 . 2]" 1
186 1 17 VAL QG 1 26 ARG H . . 3.750 3.212 3.055 3.322 . 0 0 "[ . 1 . 2]" 1
187 1 17 VAL QG 1 28 ILE HB . . 4.330 4.048 3.965 4.128 . 0 0 "[ . 1 . 2]" 1
188 1 17 VAL QG 1 28 ILE MD . . 3.010 2.203 2.101 2.331 . 0 0 "[ . 1 . 2]" 1
189 1 17 VAL QG 1 28 ILE MG . . 2.910 2.008 1.956 2.066 . 0 0 "[ . 1 . 2]" 1
190 1 17 VAL QG 1 36 ILE MD . . 3.880 3.642 1.994 3.896 0.016 6 0 "[ . 1 . 2]" 1
191 1 17 VAL QG 1 36 ILE QG . . 2.880 2.541 2.406 2.782 . 0 0 "[ . 1 . 2]" 1
192 1 17 VAL QG 1 36 ILE MG . . 3.310 2.288 2.050 2.725 . 0 0 "[ . 1 . 2]" 1
193 1 17 VAL QG 1 42 TRP QB . . 2.790 2.310 2.121 2.524 . 0 0 "[ . 1 . 2]" 1
194 1 17 VAL QG 1 42 TRP HE1 . . 3.430 3.091 2.876 3.247 . 0 0 "[ . 1 . 2]" 1
195 1 17 VAL QG 1 42 TRP HE3 . . 3.300 2.772 2.680 2.896 . 0 0 "[ . 1 . 2]" 1
196 1 17 VAL QG 1 42 TRP HZ2 . . 3.510 3.158 2.967 3.276 . 0 0 "[ . 1 . 2]" 1
197 1 17 VAL QG 2 3 THR HB . . 4.110 3.520 3.192 3.812 . 0 0 "[ . 1 . 2]" 1
198 1 17 VAL QG 2 3 THR HG1 . . 4.350 4.105 3.747 4.476 0.126 2 0 "[ . 1 . 2]" 1
199 1 17 VAL MG1 1 18 ARG H . . 4.510 3.850 3.749 3.959 . 0 0 "[ . 1 . 2]" 1
200 1 17 VAL MG1 1 42 TRP HE1 . . 4.090 3.205 2.955 3.396 . 0 0 "[ . 1 . 2]" 1
201 1 17 VAL MG2 1 18 ARG H . . 4.510 2.387 2.279 2.510 . 0 0 "[ . 1 . 2]" 1
202 1 17 VAL MG2 1 42 TRP HE1 . . 4.090 4.067 3.946 4.135 0.045 2 0 "[ . 1 . 2]" 1
203 1 18 ARG H 1 18 ARG QB . . 2.890 2.272 2.206 2.351 . 0 0 "[ . 1 . 2]" 1
204 1 18 ARG H 1 19 CYS H . . 4.710 4.588 4.470 4.654 . 0 0 "[ . 1 . 2]" 1
205 1 18 ARG H 1 25 TRP HH2 . . 5.500 5.093 4.446 5.461 . 0 0 "[ . 1 . 2]" 1
206 1 18 ARG H 2 1 ALA MB . . 3.910 3.584 2.442 3.969 0.059 11 0 "[ . 1 . 2]" 1
207 1 18 ARG H 2 3 THR HA . . 4.560 4.511 4.081 4.640 0.080 16 0 "[ . 1 . 2]" 1
208 1 18 ARG H 2 3 THR HB . . 2.550 2.542 2.385 2.630 0.080 17 0 "[ . 1 . 2]" 1
209 1 18 ARG H 2 3 THR HG1 . . 3.660 3.248 2.912 3.662 0.002 2 0 "[ . 1 . 2]" 1
210 1 18 ARG H 2 3 THR MG . . 4.780 3.659 3.348 4.074 . 0 0 "[ . 1 . 2]" 1
211 1 18 ARG HA 1 18 ARG QG . . 3.730 2.306 2.170 2.458 . 0 0 "[ . 1 . 2]" 1
212 1 18 ARG HA 1 19 CYS H . . 2.780 2.232 2.175 2.294 . 0 0 "[ . 1 . 2]" 1
213 1 18 ARG HA 1 25 TRP HA . . 2.750 2.700 2.595 2.824 0.074 5 0 "[ . 1 . 2]" 1
214 1 18 ARG HA 1 25 TRP HE3 . . 3.900 3.167 2.990 3.611 . 0 0 "[ . 1 . 2]" 1
215 1 18 ARG HA 1 26 ARG H . . 4.640 4.155 3.997 4.323 . 0 0 "[ . 1 . 2]" 1
216 1 18 ARG QB 1 18 ARG QD . . 3.500 2.182 2.043 2.301 . 0 0 "[ . 1 . 2]" 1
217 1 18 ARG QB 1 18 ARG HE . . 4.730 3.488 2.697 4.117 . 0 0 "[ . 1 . 2]" 1
218 1 18 ARG QB 1 19 CYS H . . 3.970 3.528 3.374 3.828 . 0 0 "[ . 1 . 2]" 1
219 1 18 ARG QB 1 25 TRP HE3 . . 3.900 3.564 3.346 3.815 . 0 0 "[ . 1 . 2]" 1
220 1 18 ARG QB 2 2 ARG QG . . 4.620 4.184 3.534 4.621 0.001 5 0 "[ . 1 . 2]" 1
221 1 18 ARG QD 1 23 PHE QB . . 3.780 3.636 3.243 3.997 0.217 6 0 "[ . 1 . 2]" 1
222 1 18 ARG QD 1 25 TRP HZ2 . . 3.320 2.745 2.420 3.327 0.007 16 0 "[ . 1 . 2]" 1
223 1 18 ARG QD 2 2 ARG QG . . 3.420 3.300 2.556 3.528 0.108 10 0 "[ . 1 . 2]" 1
224 1 18 ARG QD 2 3 THR HA . . 4.310 4.346 3.836 4.473 0.163 9 0 "[ . 1 . 2]" 1
225 1 18 ARG HE 1 18 ARG QG . . 3.260 2.598 2.175 3.139 . 0 0 "[ . 1 . 2]" 1
226 1 18 ARG HE 1 23 PHE HA . . 3.140 2.613 2.140 3.268 0.128 6 0 "[ . 1 . 2]" 1
227 1 18 ARG HE 1 23 PHE QB . . 3.240 3.227 2.234 3.391 0.151 9 0 "[ . 1 . 2]" 1
228 1 18 ARG QG 1 19 CYS H . . 4.220 2.670 2.352 3.016 . 0 0 "[ . 1 . 2]" 1
229 1 18 ARG QG 1 23 PHE HA . . 3.330 2.336 2.033 2.791 . 0 0 "[ . 1 . 2]" 1
230 1 18 ARG QG 1 23 PHE QB . . 3.640 3.505 3.129 3.735 0.095 8 0 "[ . 1 . 2]" 1
231 1 18 ARG QG 1 25 TRP HE1 . . 4.000 4.054 3.890 4.128 0.128 3 0 "[ . 1 . 2]" 1
232 1 18 ARG QG 1 25 TRP HZ2 . . 3.230 3.323 3.271 3.407 0.177 16 0 "[ . 1 . 2]" 1
233 1 19 CYS CB 3 1 ZN ZN . . 3.400 3.320 3.203 3.469 0.069 6 0 "[ . 1 . 2]" 1
234 1 19 CYS H 1 20 ASP H . . 4.940 4.495 4.362 4.597 . 0 0 "[ . 1 . 2]" 1
235 1 19 CYS H 1 23 PHE H . . 4.770 4.167 3.710 4.497 . 0 0 "[ . 1 . 2]" 1
236 1 19 CYS H 1 23 PHE HA . . 3.530 3.848 3.541 4.278 0.748 2 3 "[ + . * -. 2]" 1
237 1 19 CYS H 1 24 LYS H . . 4.550 4.046 3.776 4.336 . 0 0 "[ . 1 . 2]" 1
238 1 19 CYS H 1 25 TRP HA . . 3.550 3.801 3.597 3.963 0.413 17 0 "[ . 1 . 2]" 1
239 1 19 CYS H 1 42 TRP HZ3 . . 4.260 4.057 3.856 4.454 0.194 3 0 "[ . 1 . 2]" 1
240 1 19 CYS HA 1 20 ASP H . . 2.400 2.137 2.106 2.190 . 0 0 "[ . 1 . 2]" 1
241 1 19 CYS HA 1 42 TRP HE3 . . 2.400 2.358 2.211 2.432 0.032 3 0 "[ . 1 . 2]" 1
242 1 19 CYS HA 1 42 TRP HZ3 . . 3.310 3.547 3.245 3.756 0.446 5 0 "[ . 1 . 2]" 1
243 1 19 CYS HA 1 43 ILE HA . . 3.490 2.308 2.168 2.638 . 0 0 "[ . 1 . 2]" 1
244 1 19 CYS HA 1 43 ILE MG . . 3.630 3.451 3.362 3.661 0.031 6 0 "[ . 1 . 2]" 1
245 1 19 CYS HA 1 44 CYS H . . 4.420 3.823 3.665 4.130 . 0 0 "[ . 1 . 2]" 1
246 1 19 CYS QB 1 22 CYS H . . 3.940 2.923 2.594 3.239 . 0 0 "[ . 1 . 2]" 1
247 1 19 CYS QB 1 23 PHE H . . 2.800 2.598 2.318 2.799 . 0 0 "[ . 1 . 2]" 1
248 1 19 CYS QB 1 24 LYS H . . 3.710 2.960 2.485 3.433 . 0 0 "[ . 1 . 2]" 1
249 1 19 CYS QB 1 24 LYS QB . . 3.460 2.685 2.371 2.943 . 0 0 "[ . 1 . 2]" 1
250 1 19 CYS QB 1 42 TRP HE3 . . 3.990 3.547 3.396 3.813 . 0 0 "[ . 1 . 2]" 1
251 1 19 CYS QB 1 42 TRP HZ3 . . 3.130 2.876 2.602 3.136 0.006 9 0 "[ . 1 . 2]" 1
252 1 19 CYS QB 1 44 CYS H . . 3.660 2.856 2.604 3.086 . 0 0 "[ . 1 . 2]" 1
253 1 19 CYS HB2 1 20 ASP H . . 4.690 4.333 4.227 4.431 . 0 0 "[ . 1 . 2]" 1
254 1 19 CYS HB3 1 20 ASP H . . 4.690 4.379 4.297 4.502 . 0 0 "[ . 1 . 2]" 1
255 1 19 CYS SG 3 1 ZN ZN . . 2.400 2.408 2.365 2.467 0.067 6 0 "[ . 1 . 2]" 1
256 1 20 ASP H 1 21 ASP H . . 3.730 2.777 2.630 2.856 . 0 0 "[ . 1 . 2]" 1
257 1 20 ASP H 1 22 CYS H . . 4.940 4.433 4.108 4.924 . 0 0 "[ . 1 . 2]" 1
258 1 20 ASP H 1 42 TRP H . . 4.050 4.055 3.823 4.139 0.089 1 0 "[ . 1 . 2]" 1
259 1 20 ASP H 1 42 TRP HE3 . . 3.780 3.746 3.512 3.847 0.067 15 0 "[ . 1 . 2]" 1
260 1 20 ASP H 1 43 ILE HA . . 3.180 3.018 2.804 3.232 0.052 10 0 "[ . 1 . 2]" 1
261 1 20 ASP H 1 43 ILE MG . . 3.050 2.524 2.313 2.728 . 0 0 "[ . 1 . 2]" 1
262 1 20 ASP H 2 1 ALA MB . . 5.050 4.384 3.403 5.140 0.090 10 0 "[ . 1 . 2]" 1
263 1 20 ASP HA 1 21 ASP H . . 3.480 3.405 3.255 3.527 0.047 3 0 "[ . 1 . 2]" 1
264 1 20 ASP QB 1 21 ASP H . . 3.570 3.336 2.932 3.580 0.010 12 0 "[ . 1 . 2]" 1
265 1 20 ASP QB 1 21 ASP HA . . 4.240 4.196 3.802 4.312 0.072 8 0 "[ . 1 . 2]" 1
266 1 20 ASP QB 1 42 TRP H . . 3.540 3.474 3.155 3.650 0.110 3 0 "[ . 1 . 2]" 1
267 1 20 ASP QB 1 43 ILE MG . . 2.970 2.489 2.102 2.781 . 0 0 "[ . 1 . 2]" 1
268 1 20 ASP HB2 1 21 ASP HA . . 4.970 4.937 4.199 5.073 0.103 10 0 "[ . 1 . 2]" 1
269 1 20 ASP HB2 1 43 ILE MG . . 3.720 2.534 2.118 2.866 . 0 0 "[ . 1 . 2]" 1
270 1 20 ASP HB3 1 21 ASP HA . . 4.970 4.551 4.301 4.741 . 0 0 "[ . 1 . 2]" 1
271 1 20 ASP HB3 1 43 ILE MG . . 3.720 3.661 3.341 3.773 0.053 12 0 "[ . 1 . 2]" 1
272 1 21 ASP H 1 21 ASP QB . . 3.550 2.411 2.291 2.582 . 0 0 "[ . 1 . 2]" 1
273 1 21 ASP H 1 22 CYS H . . 3.210 2.170 1.951 2.510 . 0 0 "[ . 1 . 2]" 1
274 1 21 ASP H 1 23 PHE H . . 4.890 4.966 4.931 5.022 0.132 20 0 "[ . 1 . 2]" 1
275 1 21 ASP H 1 43 ILE HA . . 3.820 3.607 3.399 3.834 0.014 20 0 "[ . 1 . 2]" 1
276 1 21 ASP H 1 43 ILE MG . . 2.920 2.329 2.136 2.599 . 0 0 "[ . 1 . 2]" 1
277 1 21 ASP HA 1 22 CYS H . . 3.520 3.518 3.417 3.605 0.085 3 0 "[ . 1 . 2]" 1
278 1 21 ASP QB 1 22 CYS H . . 3.020 2.890 2.407 3.266 0.246 14 0 "[ . 1 . 2]" 1
279 1 21 ASP QB 1 43 ILE HB . . 3.490 2.791 2.476 3.047 . 0 0 "[ . 1 . 2]" 1
280 1 21 ASP QB 1 43 ILE MD . . 3.660 3.166 2.951 3.356 . 0 0 "[ . 1 . 2]" 1
281 1 21 ASP QB 1 43 ILE QG . . 4.340 4.310 4.133 4.424 0.084 7 0 "[ . 1 . 2]" 1
282 1 21 ASP HB2 1 22 CYS H . . 3.530 3.848 3.203 4.160 0.630 2 4 "[ + * 1 . -*]" 1
283 1 21 ASP HB2 1 43 ILE HB . . 4.070 3.138 2.496 3.712 . 0 0 "[ . 1 . 2]" 1
284 1 21 ASP HB2 1 43 ILE MD . . 4.350 3.358 3.080 3.578 . 0 0 "[ . 1 . 2]" 1
285 1 21 ASP HB3 1 22 CYS H . . 3.530 3.077 2.436 3.952 0.422 14 0 "[ . 1 . 2]" 1
286 1 21 ASP HB3 1 43 ILE HB . . 4.070 3.354 3.029 4.148 0.078 14 0 "[ . 1 . 2]" 1
287 1 21 ASP HB3 1 43 ILE MD . . 4.350 3.902 3.675 4.234 . 0 0 "[ . 1 . 2]" 1
288 1 22 CYS CB 3 1 ZN ZN . . 3.400 3.476 3.395 3.631 0.231 5 0 "[ . 1 . 2]" 1
289 1 22 CYS H 1 23 PHE H . . 3.200 3.122 2.960 3.316 0.116 9 0 "[ . 1 . 2]" 1
290 1 22 CYS HA 1 23 PHE H . . 3.520 3.335 3.238 3.418 . 0 0 "[ . 1 . 2]" 1
291 1 22 CYS QB 1 23 PHE H . . 3.150 2.323 1.666 2.798 . 0 0 "[ . 1 . 2]" 1
292 1 22 CYS HB2 1 23 PHE H . . 3.700 2.411 1.706 2.938 . 0 0 "[ . 1 . 2]" 1
293 1 22 CYS HB3 1 23 PHE H . . 3.700 3.049 2.140 3.537 . 0 0 "[ . 1 . 2]" 1
294 1 22 CYS SG 3 1 ZN ZN . . 2.400 2.474 2.445 2.542 0.142 5 0 "[ . 1 . 2]" 1
295 1 23 PHE H 1 23 PHE QD . . 4.380 3.442 2.928 4.411 0.031 8 0 "[ . 1 . 2]" 1
296 1 23 PHE H 1 24 LYS H . . 3.550 1.727 1.689 1.766 . 0 0 "[ . 1 . 2]" 1
297 1 23 PHE QB 1 24 LYS H . . 3.630 3.707 3.276 3.825 0.195 17 0 "[ . 1 . 2]" 1
298 1 23 PHE HB2 1 24 LYS H . . 4.480 4.142 3.991 4.399 . 0 0 "[ . 1 . 2]" 1
299 1 23 PHE HB3 1 24 LYS H . . 4.480 4.212 3.380 4.458 . 0 0 "[ . 1 . 2]" 1
300 1 24 LYS H 1 24 LYS QB . . 2.820 2.137 1.962 2.490 . 0 0 "[ . 1 . 2]" 1
301 1 24 LYS H 1 24 LYS QG . . 4.120 3.559 2.459 4.004 . 0 0 "[ . 1 . 2]" 1
302 1 24 LYS H 1 25 TRP H . . 4.850 4.622 4.551 4.668 . 0 0 "[ . 1 . 2]" 1
303 1 24 LYS HA 1 24 LYS QD . . 3.380 3.409 2.798 3.813 0.433 12 0 "[ . 1 . 2]" 1
304 1 24 LYS HA 1 24 LYS QE . . 4.500 4.409 4.121 4.570 0.070 13 0 "[ . 1 . 2]" 1
305 1 24 LYS HA 1 24 LYS QG . . 2.400 2.183 2.059 2.421 0.021 16 0 "[ . 1 . 2]" 1
306 1 24 LYS HA 1 25 TRP H . . 2.710 2.204 2.070 2.325 . 0 0 "[ . 1 . 2]" 1
307 1 24 LYS HA 1 59 GLN QE . . 4.400 3.854 2.962 4.322 . 0 0 "[ . 1 . 2]" 1
308 1 24 LYS QB 1 24 LYS QD . . 2.370 2.274 2.129 2.465 0.095 2 0 "[ . 1 . 2]" 1
309 1 24 LYS QB 1 24 LYS QE . . 2.350 2.145 1.994 2.362 0.012 13 0 "[ . 1 . 2]" 1
310 1 24 LYS QB 1 25 TRP H . . 3.400 3.324 2.753 3.471 0.071 12 0 "[ . 1 . 2]" 1
311 1 24 LYS QB 1 25 TRP HA . . 4.360 4.419 4.233 4.544 0.184 4 0 "[ . 1 . 2]" 1
312 1 24 LYS HB2 1 24 LYS QG . . 2.400 2.295 2.106 2.534 0.134 16 0 "[ . 1 . 2]" 1
313 1 24 LYS HB3 1 24 LYS QG . . 2.400 2.396 2.145 2.531 0.131 9 0 "[ . 1 . 2]" 1
314 1 24 LYS QD 1 24 LYS QG . . 2.400 2.018 1.966 2.066 . 0 0 "[ . 1 . 2]" 1
315 1 24 LYS QE 1 24 LYS QG . . 2.400 2.399 2.214 2.552 0.152 15 0 "[ . 1 . 2]" 1
316 1 24 LYS QE 1 52 PHE QB . . 3.810 3.552 2.719 3.927 0.117 13 0 "[ . 1 . 2]" 1
317 1 24 LYS QG 1 25 TRP H . . 3.450 2.656 2.012 3.562 0.112 15 0 "[ . 1 . 2]" 1
318 1 25 TRP H 1 25 TRP HD1 . . 4.050 2.988 2.725 3.243 . 0 0 "[ . 1 . 2]" 1
319 1 25 TRP H 1 26 ARG H . . 4.940 4.564 4.520 4.594 . 0 0 "[ . 1 . 2]" 1
320 1 25 TRP HA 1 25 TRP HD1 . . 4.530 4.358 4.288 4.457 . 0 0 "[ . 1 . 2]" 1
321 1 25 TRP HA 1 25 TRP HE3 . . 4.290 2.875 2.736 3.032 . 0 0 "[ . 1 . 2]" 1
322 1 25 TRP HA 1 26 ARG H . . 2.470 2.250 2.195 2.338 . 0 0 "[ . 1 . 2]" 1
323 1 25 TRP QB 1 25 TRP HE3 . . 3.560 2.665 2.550 2.726 . 0 0 "[ . 1 . 2]" 1
324 1 25 TRP QB 1 25 TRP HZ3 . . 5.140 4.928 4.816 5.004 . 0 0 "[ . 1 . 2]" 1
325 1 25 TRP QB 1 26 ARG H . . 3.070 2.738 2.619 2.865 . 0 0 "[ . 1 . 2]" 1
326 1 25 TRP QB 1 59 GLN QE . . 2.940 2.864 2.441 2.966 0.026 12 0 "[ . 1 . 2]" 1
327 1 25 TRP QB 1 66 ILE MG . . 3.120 2.904 2.221 3.247 0.127 13 0 "[ . 1 . 2]" 1
328 1 25 TRP HB2 1 26 ARG H . . 3.780 3.859 3.777 3.926 0.146 12 0 "[ . 1 . 2]" 1
329 1 25 TRP HB2 1 66 ILE MG . . 3.950 3.066 2.283 3.482 . 0 0 "[ . 1 . 2]" 1
330 1 25 TRP HB3 1 26 ARG H . . 3.780 2.802 2.671 2.944 . 0 0 "[ . 1 . 2]" 1
331 1 25 TRP HB3 1 66 ILE MG . . 3.950 3.634 3.027 3.950 0.000 5 0 "[ . 1 . 2]" 1
332 1 25 TRP HD1 1 63 ASN QD . . 3.350 3.149 2.713 3.498 0.148 10 0 "[ . 1 . 2]" 1
333 1 25 TRP HE1 1 63 ASN QD . . 2.560 2.387 1.980 2.621 0.061 19 0 "[ . 1 . 2]" 1
334 1 25 TRP HE1 1 74 GLN QG . . 3.360 3.449 3.396 3.542 0.182 6 0 "[ . 1 . 2]" 1
335 1 25 TRP HE3 2 3 THR HG1 . . 3.900 2.518 2.158 3.938 0.038 17 0 "[ . 1 . 2]" 1
336 1 25 TRP HH2 2 2 ARG QG . . 3.540 2.924 2.352 3.650 0.110 2 0 "[ . 1 . 2]" 1
337 1 25 TRP HH2 2 3 THR HA . . 2.640 2.680 2.219 2.849 0.209 5 0 "[ . 1 . 2]" 1
338 1 25 TRP HH2 2 3 THR HB . . 4.630 4.309 3.998 4.500 . 0 0 "[ . 1 . 2]" 1
339 1 25 TRP HH2 2 3 THR HG1 . . 4.440 4.181 3.996 4.578 0.138 17 0 "[ . 1 . 2]" 1
340 1 25 TRP HZ2 1 63 ASN QB . . 5.040 5.130 5.057 5.224 0.184 10 0 "[ . 1 . 2]" 1
341 1 25 TRP HZ2 1 74 GLN QB . . 3.930 3.889 2.978 4.096 0.166 1 0 "[ . 1 . 2]" 1
342 1 25 TRP HZ2 1 74 GLN QG . . 3.480 2.261 2.108 2.677 . 0 0 "[ . 1 . 2]" 1
343 1 25 TRP HZ2 2 3 THR HA . . 5.020 4.996 4.658 5.150 0.130 5 0 "[ . 1 . 2]" 1
344 1 25 TRP HZ3 2 2 ARG QG . . 4.470 4.377 3.980 4.674 0.204 5 0 "[ . 1 . 2]" 1
345 1 26 ARG H 1 26 ARG QD . . 4.520 4.360 4.240 4.554 0.034 3 0 "[ . 1 . 2]" 1
346 1 26 ARG H 1 42 TRP HH2 . . 5.310 5.264 5.019 5.381 0.071 20 0 "[ . 1 . 2]" 1
347 1 26 ARG HA 1 26 ARG HD2 . . 4.960 2.218 2.088 2.428 . 0 0 "[ . 1 . 2]" 1
348 1 26 ARG HA 1 26 ARG QD . . 4.330 2.202 2.075 2.403 . 0 0 "[ . 1 . 2]" 1
349 1 26 ARG HA 1 26 ARG HD3 . . 4.960 3.727 3.607 3.840 . 0 0 "[ . 1 . 2]" 1
350 1 26 ARG HA 1 27 ARG H . . 2.790 2.145 2.025 2.193 . 0 0 "[ . 1 . 2]" 1
351 1 26 ARG QB 1 26 ARG HE . . 4.570 2.281 2.053 2.632 . 0 0 "[ . 1 . 2]" 1
352 1 26 ARG QB 1 27 ARG H . . 3.630 3.065 2.946 3.277 . 0 0 "[ . 1 . 2]" 1
353 1 26 ARG HE 1 49 ASP QB . . 3.630 3.337 2.846 3.673 0.043 3 0 "[ . 1 . 2]" 1
354 1 26 ARG QG 1 28 ILE MG . . 4.540 4.384 4.093 4.546 0.006 14 0 "[ . 1 . 2]" 1
355 1 26 ARG QG 1 42 TRP HZ3 . . 3.240 3.241 3.094 3.291 0.051 2 0 "[ . 1 . 2]" 1
356 1 26 ARG HG2 1 42 TRP HZ3 . . 3.690 3.583 3.332 3.711 0.021 3 0 "[ . 1 . 2]" 1
357 1 26 ARG HG3 1 42 TRP HZ3 . . 3.690 3.714 3.312 3.796 0.106 13 0 "[ . 1 . 2]" 1
358 1 27 ARG H 1 28 ILE H . . 4.710 4.484 4.319 4.567 . 0 0 "[ . 1 . 2]" 1
359 1 27 ARG H 1 28 ILE MG . . 4.180 4.187 4.090 4.234 0.054 3 0 "[ . 1 . 2]" 1
360 1 27 ARG HA 1 27 ARG QD . . 2.490 2.453 2.129 2.756 0.266 6 0 "[ . 1 . 2]" 1
361 1 27 ARG HA 1 27 ARG QG . . 2.980 2.575 2.205 3.085 0.105 20 0 "[ . 1 . 2]" 1
362 1 27 ARG HA 1 28 ILE H . . 2.580 2.088 2.023 2.171 . 0 0 "[ . 1 . 2]" 1
363 1 27 ARG HA 1 28 ILE MG . . 3.620 3.620 3.495 3.664 0.044 10 0 "[ . 1 . 2]" 1
364 1 28 ILE H 1 28 ILE MD . . 4.720 3.936 3.793 4.028 . 0 0 "[ . 1 . 2]" 1
365 1 28 ILE H 1 28 ILE HG12 . . 4.400 2.267 2.096 2.382 . 0 0 "[ . 1 . 2]" 1
366 1 28 ILE H 1 28 ILE QG . . 3.540 2.210 2.054 2.306 . 0 0 "[ . 1 . 2]" 1
367 1 28 ILE H 1 28 ILE HG13 . . 4.400 3.071 2.908 3.266 . 0 0 "[ . 1 . 2]" 1
368 1 28 ILE HB 1 32 VAL HB . . 3.840 2.592 2.309 3.758 . 0 0 "[ . 1 . 2]" 1
369 1 28 ILE MD 1 28 ILE MG . . 2.400 2.099 2.060 2.117 . 0 0 "[ . 1 . 2]" 1
370 1 28 ILE MD 1 32 VAL H . . 4.120 3.835 3.613 4.123 0.003 6 0 "[ . 1 . 2]" 1
371 1 28 ILE MD 1 32 VAL HB . . 3.810 2.207 2.114 2.287 . 0 0 "[ . 1 . 2]" 1
372 1 28 ILE MD 1 32 VAL QG . . 2.520 2.198 2.110 2.640 0.120 20 0 "[ . 1 . 2]" 1
373 1 28 ILE MD 1 33 VAL H . . 3.680 2.772 2.510 3.181 . 0 0 "[ . 1 . 2]" 1
374 1 28 ILE MD 1 33 VAL HA . . 3.160 2.671 2.463 2.840 . 0 0 "[ . 1 . 2]" 1
375 1 28 ILE MD 1 33 VAL HB . . 3.560 2.635 2.217 3.583 0.023 20 0 "[ . 1 . 2]" 1
376 1 28 ILE QG 1 28 ILE MG . . 2.350 2.377 2.358 2.394 0.044 20 0 "[ . 1 . 2]" 1
377 1 28 ILE MG 1 42 TRP HE1 . . 3.380 3.389 3.227 3.458 0.078 12 0 "[ . 1 . 2]" 1
378 1 28 ILE MG 1 42 TRP HZ2 . . 3.410 3.138 2.423 3.450 0.040 13 0 "[ . 1 . 2]" 1
379 1 29 PRO HA 1 30 ALA H . . 2.420 2.214 2.140 2.265 . 0 0 "[ . 1 . 2]" 1
380 1 29 PRO HA 1 30 ALA MB . . 4.610 3.985 3.902 4.038 . 0 0 "[ . 1 . 2]" 1
381 1 29 PRO HA 1 31 SER H . . 4.400 4.070 3.940 4.138 . 0 0 "[ . 1 . 2]" 1
382 1 29 PRO HA 1 32 VAL H . . 5.000 4.894 4.823 4.970 . 0 0 "[ . 1 . 2]" 1
383 1 29 PRO QB 1 30 ALA H . . 3.160 3.021 2.958 3.102 . 0 0 "[ . 1 . 2]" 1
384 1 29 PRO QB 1 31 SER H . . 3.370 2.505 2.366 2.606 . 0 0 "[ . 1 . 2]" 1
385 1 29 PRO QB 1 32 VAL H . . 3.780 3.739 3.631 3.825 0.045 9 0 "[ . 1 . 2]" 1
386 1 30 ALA H 1 30 ALA MB . . 3.470 2.157 2.123 2.193 . 0 0 "[ . 1 . 2]" 1
387 1 30 ALA H 1 31 SER H . . 3.670 2.956 2.841 3.053 . 0 0 "[ . 1 . 2]" 1
388 1 30 ALA H 1 32 VAL H . . 4.990 4.458 4.399 4.519 . 0 0 "[ . 1 . 2]" 1
389 1 30 ALA HA 1 32 VAL H . . 4.070 3.763 3.665 3.965 . 0 0 "[ . 1 . 2]" 1
390 1 30 ALA HA 1 33 VAL H . . 3.050 2.833 2.655 3.037 . 0 0 "[ . 1 . 2]" 1
391 1 30 ALA HA 1 33 VAL HA . . 4.850 4.852 4.554 5.002 0.152 11 0 "[ . 1 . 2]" 1
392 1 30 ALA HA 1 33 VAL HB . . 3.600 3.051 2.695 3.877 0.277 8 0 "[ . 1 . 2]" 1
393 1 30 ALA HA 1 33 VAL QG . . 2.400 2.052 1.788 2.271 . 0 0 "[ . 1 . 2]" 1
394 1 30 ALA HA 1 34 GLY H . . 4.510 3.920 3.748 4.096 . 0 0 "[ . 1 . 2]" 1
395 1 30 ALA MB 1 31 SER H . . 2.950 2.874 2.633 2.982 0.032 18 0 "[ . 1 . 2]" 1
396 1 30 ALA MB 1 32 VAL H . . 4.440 4.464 4.442 4.511 0.071 20 0 "[ . 1 . 2]" 1
397 1 31 SER H 1 31 SER QB . . 3.620 2.501 2.218 2.553 . 0 0 "[ . 1 . 2]" 1
398 1 31 SER H 1 32 VAL H . . 3.200 2.717 2.669 2.799 . 0 0 "[ . 1 . 2]" 1
399 1 31 SER H 1 33 VAL H . . 4.010 4.088 4.038 4.111 0.101 10 0 "[ . 1 . 2]" 1
400 1 31 SER HA 1 33 VAL H . . 4.750 4.649 4.509 4.753 0.003 20 0 "[ . 1 . 2]" 1
401 1 31 SER HA 1 34 GLY H . . 4.490 3.963 3.627 4.512 0.022 20 0 "[ . 1 . 2]" 1
402 1 31 SER QB 1 32 VAL QG . . 3.400 3.143 2.853 3.919 0.519 18 1 "[ . 1 . + 2]" 1
403 1 32 VAL H 1 32 VAL HB . . 3.910 2.535 2.418 3.338 . 0 0 "[ . 1 . 2]" 1
404 1 32 VAL H 1 32 VAL MG1 . . 4.190 3.846 3.807 3.933 . 0 0 "[ . 1 . 2]" 1
405 1 32 VAL H 1 32 VAL QG . . 3.640 2.526 2.193 2.583 . 0 0 "[ . 1 . 2]" 1
406 1 32 VAL H 1 32 VAL MG2 . . 4.190 2.562 2.206 2.625 . 0 0 "[ . 1 . 2]" 1
407 1 32 VAL H 1 33 VAL H . . 2.890 2.250 2.164 2.302 . 0 0 "[ . 1 . 2]" 1
408 1 32 VAL H 1 33 VAL HA . . 4.840 4.907 4.844 4.947 0.107 18 0 "[ . 1 . 2]" 1
409 1 32 VAL H 1 34 GLY H . . 4.570 3.818 3.729 4.019 . 0 0 "[ . 1 . 2]" 1
410 1 32 VAL HA 1 33 VAL H . . 3.490 3.558 3.506 3.569 0.079 17 0 "[ . 1 . 2]" 1
411 1 32 VAL HA 1 34 GLY H . . 3.880 3.988 3.917 4.032 0.152 10 0 "[ . 1 . 2]" 1
412 1 32 VAL HA 1 35 SER H . . 4.470 3.168 2.943 3.547 . 0 0 "[ . 1 . 2]" 1
413 1 32 VAL HB 1 33 VAL H . . 3.060 2.886 2.758 3.211 0.151 20 0 "[ . 1 . 2]" 1
414 1 32 VAL QG 1 35 SER H . . 3.850 4.050 3.823 4.203 0.353 14 0 "[ . 1 . 2]" 1
415 1 32 VAL QG 1 36 ILE H . . 3.480 3.638 3.261 3.784 0.304 14 0 "[ . 1 . 2]" 1
416 1 32 VAL QG 1 36 ILE HB . . 3.220 3.454 3.266 4.285 1.065 20 2 "[ - 1 . +]" 1
417 1 32 VAL QG 1 36 ILE MD . . 2.520 2.004 1.898 2.056 . 0 0 "[ . 1 . 2]" 1
418 1 32 VAL QG 1 36 ILE QG . . 3.090 2.908 2.463 3.777 0.687 20 1 "[ . 1 . +]" 1
419 1 32 VAL QG 1 36 ILE MG . . 4.270 4.152 4.042 4.888 0.618 20 1 "[ . 1 . +]" 1
420 1 32 VAL QG 1 42 TRP HD1 . . 3.580 3.310 3.053 3.935 0.355 20 0 "[ . 1 . 2]" 1
421 1 32 VAL QG 1 42 TRP HE1 . . 3.590 2.660 2.217 3.668 0.078 20 0 "[ . 1 . 2]" 1
422 1 33 VAL H 1 33 VAL HB . . 3.540 2.583 2.296 3.610 0.070 9 0 "[ . 1 . 2]" 1
423 1 33 VAL H 1 33 VAL MG1 . . 3.870 2.675 1.824 2.946 . 0 0 "[ . 1 . 2]" 1
424 1 33 VAL H 1 33 VAL MG2 . . 3.870 3.566 2.851 3.766 . 0 0 "[ . 1 . 2]" 1
425 1 33 VAL H 1 34 GLY H . . 3.720 2.675 2.607 2.796 . 0 0 "[ . 1 . 2]" 1
426 1 33 VAL H 1 35 SER H . . 4.680 4.085 3.999 4.239 . 0 0 "[ . 1 . 2]" 1
427 1 33 VAL HA 1 35 SER H . . 4.640 3.861 3.553 4.044 . 0 0 "[ . 1 . 2]" 1
428 1 33 VAL HA 1 36 ILE H . . 3.440 3.431 3.291 3.544 0.104 8 0 "[ . 1 . 2]" 1
429 1 33 VAL HA 1 36 ILE MD . . 3.960 3.922 2.412 4.059 0.099 8 0 "[ . 1 . 2]" 1
430 1 33 VAL HB 1 34 GLY H . . 3.900 3.973 3.933 4.079 0.179 9 0 "[ . 1 . 2]" 1
431 1 33 VAL QG 1 34 GLY H . . 2.690 2.638 2.405 2.789 0.099 18 0 "[ . 1 . 2]" 1
432 1 33 VAL QG 1 34 GLY QA . . 2.910 3.206 3.031 3.313 0.403 13 0 "[ . 1 . 2]" 1
433 1 34 GLY H 1 35 SER H . . 3.420 2.490 2.350 2.643 . 0 0 "[ . 1 . 2]" 1
434 1 34 GLY H 1 36 ILE H . . 4.200 4.151 3.985 4.279 0.079 20 0 "[ . 1 . 2]" 1
435 1 34 GLY QA 1 35 SER H . . 2.910 2.912 2.886 2.941 0.031 14 0 "[ . 1 . 2]" 1
436 1 34 GLY QA 1 36 ILE H . . 4.330 4.278 4.135 4.385 0.055 3 0 "[ . 1 . 2]" 1
437 1 35 SER H 1 35 SER HB2 . . 3.570 2.767 2.655 3.057 . 0 0 "[ . 1 . 2]" 1
438 1 35 SER H 1 35 SER QB . . 3.010 2.320 2.267 2.532 . 0 0 "[ . 1 . 2]" 1
439 1 35 SER H 1 35 SER HB3 . . 3.570 2.492 2.449 2.701 . 0 0 "[ . 1 . 2]" 1
440 1 35 SER H 1 36 ILE H . . 3.050 2.264 1.920 2.395 . 0 0 "[ . 1 . 2]" 1
441 1 35 SER HA 1 36 ILE H . . 3.550 3.558 3.530 3.568 0.018 3 0 "[ . 1 . 2]" 1
442 1 35 SER QB 1 36 ILE H . . 3.010 2.645 2.535 2.941 . 0 0 "[ . 1 . 2]" 1
443 1 36 ILE H 1 36 ILE HB . . 3.660 2.176 2.082 2.286 . 0 0 "[ . 1 . 2]" 1
444 1 36 ILE H 1 36 ILE HG12 . . 4.430 3.945 3.845 4.232 . 0 0 "[ . 1 . 2]" 1
445 1 36 ILE H 1 36 ILE QG . . 3.830 3.540 2.713 3.759 . 0 0 "[ . 1 . 2]" 1
446 1 36 ILE H 1 36 ILE HG13 . . 4.430 4.054 2.755 4.207 . 0 0 "[ . 1 . 2]" 1
447 1 36 ILE H 1 36 ILE MG . . 4.610 3.641 3.559 3.717 . 0 0 "[ . 1 . 2]" 1
448 1 36 ILE H 1 37 ASP H . . 4.580 4.530 4.404 4.632 0.052 11 0 "[ . 1 . 2]" 1
449 1 36 ILE HA 1 37 ASP H . . 2.400 2.143 2.052 2.358 . 0 0 "[ . 1 . 2]" 1
450 1 36 ILE MD 1 36 ILE MG . . 3.380 3.200 2.058 3.279 . 0 0 "[ . 1 . 2]" 1
451 1 36 ILE MD 1 37 ASP H . . 4.560 4.287 4.116 4.795 0.235 5 0 "[ . 1 . 2]" 1
452 1 36 ILE MD 1 42 TRP QB . . 3.350 3.394 3.161 3.431 0.081 20 0 "[ . 1 . 2]" 1
453 1 36 ILE MD 1 42 TRP HD1 . . 3.050 2.049 1.989 2.352 . 0 0 "[ . 1 . 2]" 1
454 1 36 ILE MD 1 42 TRP HE1 . . 3.390 3.430 2.958 3.503 0.113 15 0 "[ . 1 . 2]" 1
455 1 36 ILE QG 1 37 ASP H . . 4.490 3.914 3.609 4.293 . 0 0 "[ . 1 . 2]" 1
456 1 36 ILE QG 1 42 TRP H . . 4.140 4.123 3.945 4.376 0.236 3 0 "[ . 1 . 2]" 1
457 1 36 ILE QG 1 42 TRP HA . . 3.990 4.055 3.944 4.140 0.150 5 0 "[ . 1 . 2]" 1
458 1 36 ILE QG 1 42 TRP QB . . 2.130 2.152 2.091 2.194 0.064 4 0 "[ . 1 . 2]" 1
459 1 36 ILE MG 1 37 ASP H . . 3.110 2.872 2.176 3.168 0.058 8 0 "[ . 1 . 2]" 1
460 1 36 ILE MG 1 40 SER QB . . 3.290 2.752 2.125 3.317 0.027 14 0 "[ . 1 . 2]" 1
461 1 36 ILE MG 1 42 TRP HB2 . . 3.680 3.024 2.829 3.174 . 0 0 "[ . 1 . 2]" 1
462 1 36 ILE MG 1 42 TRP QB . . 3.200 2.846 2.700 2.998 . 0 0 "[ . 1 . 2]" 1
463 1 36 ILE MG 1 42 TRP HB3 . . 3.680 3.479 3.118 3.701 0.021 4 0 "[ . 1 . 2]" 1
464 1 36 ILE MG 1 42 TRP HD1 . . 4.020 4.035 3.998 4.076 0.056 5 0 "[ . 1 . 2]" 1
465 1 37 ASP H 1 38 GLU H . . 4.720 4.494 4.311 4.662 . 0 0 "[ . 1 . 2]" 1
466 1 37 ASP H 1 40 SER QB . . 3.480 2.117 1.894 2.310 . 0 0 "[ . 1 . 2]" 1
467 1 37 ASP HA 1 38 GLU H . . 2.750 2.509 2.371 2.769 0.019 3 0 "[ . 1 . 2]" 1
468 1 37 ASP HA 1 38 GLU HA . . 4.450 4.449 4.256 4.526 0.076 15 0 "[ . 1 . 2]" 1
469 1 37 ASP HA 1 39 SER H . . 4.510 4.270 4.072 4.548 0.038 14 0 "[ . 1 . 2]" 1
470 1 37 ASP HA 1 40 SER H . . 4.700 4.542 4.355 4.736 0.036 14 0 "[ . 1 . 2]" 1
471 1 37 ASP HA 1 40 SER QB . . 4.530 4.414 3.930 4.630 0.100 20 0 "[ . 1 . 2]" 1
472 1 37 ASP QB 1 38 GLU H . . 3.060 2.534 1.996 3.008 . 0 0 "[ . 1 . 2]" 1
473 1 37 ASP HB2 1 38 GLU H . . 3.810 3.588 2.010 3.843 0.033 11 0 "[ . 1 . 2]" 1
474 1 37 ASP HB2 1 39 SER H . . 3.810 3.426 2.723 3.961 0.151 11 0 "[ . 1 . 2]" 1
475 1 37 ASP HB3 1 38 GLU H . . 3.810 2.667 2.219 3.437 . 0 0 "[ . 1 . 2]" 1
476 1 37 ASP HB3 1 39 SER H . . 3.810 2.643 2.227 4.245 0.435 3 0 "[ . 1 . 2]" 1
477 1 38 GLU H 1 38 GLU QB . . 3.650 2.266 2.108 2.617 . 0 0 "[ . 1 . 2]" 1
478 1 38 GLU H 1 39 SER H . . 3.930 2.735 2.417 2.886 . 0 0 "[ . 1 . 2]" 1
479 1 38 GLU QB 1 39 SER H . . 3.170 2.890 2.444 3.276 0.106 14 0 "[ . 1 . 2]" 1
480 1 38 GLU QB 1 39 SER QB . . 4.210 4.057 3.483 4.294 0.084 20 0 "[ . 1 . 2]" 1
481 1 38 GLU QG 1 39 SER H . . 4.300 3.893 2.093 4.400 0.100 15 0 "[ . 1 . 2]" 1
482 1 39 SER H 1 39 SER QB . . 3.640 2.559 2.172 3.082 . 0 0 "[ . 1 . 2]" 1
483 1 39 SER H 1 40 SER H . . 3.550 2.525 2.051 2.872 . 0 0 "[ . 1 . 2]" 1
484 1 39 SER HA 1 39 SER HB2 . . 2.910 2.479 2.368 3.010 0.100 19 0 "[ . 1 . 2]" 1
485 1 39 SER HA 1 39 SER HB3 . . 2.910 2.583 2.422 3.013 0.103 1 0 "[ . 1 . 2]" 1
486 1 39 SER HA 1 40 SER H . . 3.460 3.399 3.167 3.494 0.034 13 0 "[ . 1 . 2]" 1
487 1 40 SER H 1 41 ARG H . . 4.710 4.551 4.429 4.666 . 0 0 "[ . 1 . 2]" 1
488 1 40 SER HA 1 41 ARG H . . 2.570 2.368 2.109 2.579 0.009 19 0 "[ . 1 . 2]" 1
489 1 40 SER QB 1 41 ARG H . . 3.230 2.941 2.167 3.375 0.145 18 0 "[ . 1 . 2]" 1
490 1 41 ARG H 1 41 ARG QB . . 3.600 2.824 2.237 3.294 . 0 0 "[ . 1 . 2]" 1
491 1 41 ARG H 1 41 ARG QG . . 4.330 3.102 2.403 4.248 . 0 0 "[ . 1 . 2]" 1
492 1 41 ARG H 1 42 TRP H . . 4.090 3.644 2.720 4.241 0.151 3 0 "[ . 1 . 2]" 1
493 1 41 ARG HA 1 41 ARG QD . . 4.610 4.096 3.792 4.561 . 0 0 "[ . 1 . 2]" 1
494 1 41 ARG HA 1 41 ARG QG . . 3.650 2.653 2.204 3.404 . 0 0 "[ . 1 . 2]" 1
495 1 41 ARG HA 1 42 TRP H . . 2.410 2.246 2.040 2.457 0.047 8 0 "[ . 1 . 2]" 1
496 1 41 ARG QB 1 41 ARG QD . . 3.140 2.225 2.092 2.382 . 0 0 "[ . 1 . 2]" 1
497 1 41 ARG QB 1 41 ARG HG2 . . 2.400 2.392 2.360 2.451 0.051 20 0 "[ . 1 . 2]" 1
498 1 41 ARG QB 1 41 ARG HG3 . . 2.400 2.377 2.304 2.407 0.007 19 0 "[ . 1 . 2]" 1
499 1 41 ARG QB 1 42 TRP H . . 3.880 3.762 3.033 4.010 0.130 12 0 "[ . 1 . 2]" 1
500 1 42 TRP H 1 43 ILE H . . 4.720 4.561 4.361 4.657 . 0 0 "[ . 1 . 2]" 1
501 1 42 TRP H 1 43 ILE MG . . 4.160 4.003 3.659 4.160 . 11 0 "[ . 1 . 2]" 1
502 1 42 TRP HA 1 42 TRP HD1 . . 4.120 3.365 3.207 3.479 . 0 0 "[ . 1 . 2]" 1
503 1 42 TRP HA 1 42 TRP HE3 . . 4.190 4.207 4.182 4.236 0.046 11 0 "[ . 1 . 2]" 1
504 1 42 TRP HA 1 43 ILE H . . 2.660 2.237 2.187 2.330 . 0 0 "[ . 1 . 2]" 1
505 1 42 TRP HA 1 43 ILE QG . . 4.160 3.904 3.754 4.028 . 0 0 "[ . 1 . 2]" 1
506 1 42 TRP QB 1 42 TRP HD1 . . 3.340 2.435 2.388 2.483 . 0 0 "[ . 1 . 2]" 1
507 1 42 TRP QB 1 42 TRP HZ3 . . 5.210 5.126 5.072 5.187 . 0 0 "[ . 1 . 2]" 1
508 1 42 TRP QB 1 43 ILE H . . 3.740 3.770 3.734 3.798 0.058 20 0 "[ . 1 . 2]" 1
509 1 42 TRP HE3 1 43 ILE HA . . 3.310 2.861 2.786 2.962 . 0 0 "[ . 1 . 2]" 1
510 1 42 TRP HZ2 1 47 ASN HA . . 2.860 2.436 2.224 2.696 . 0 0 "[ . 1 . 2]" 1
511 1 42 TRP HZ2 1 47 ASN QB . . 3.470 3.417 3.071 3.494 0.024 14 0 "[ . 1 . 2]" 1
512 1 42 TRP HZ2 1 48 SER H . . 3.640 3.265 2.985 3.648 0.008 12 0 "[ . 1 . 2]" 1
513 1 42 TRP HZ3 1 44 CYS H . . 4.080 3.741 3.390 3.998 . 0 0 "[ . 1 . 2]" 1
514 1 42 TRP HZ3 1 44 CYS HA . . 3.520 3.269 3.085 3.438 . 0 0 "[ . 1 . 2]" 1
515 1 42 TRP HZ3 1 47 ASN QB . . 4.100 3.965 3.820 4.120 0.020 20 0 "[ . 1 . 2]" 1
516 1 43 ILE H 1 43 ILE QG . . 2.400 2.472 2.373 2.494 0.094 1 0 "[ . 1 . 2]" 1
517 1 43 ILE H 1 43 ILE MG . . 4.120 3.060 3.012 3.125 . 0 0 "[ . 1 . 2]" 1
518 1 43 ILE H 1 44 CYS H . . 4.430 4.500 4.483 4.539 0.109 12 0 "[ . 1 . 2]" 1
519 1 43 ILE H 1 46 ASN H . . 4.380 3.697 3.580 3.849 . 0 0 "[ . 1 . 2]" 1
520 1 43 ILE H 1 46 ASN HB2 . . 4.380 4.272 4.133 4.478 0.098 7 0 "[ . 1 . 2]" 1
521 1 43 ILE H 1 46 ASN QB . . 3.590 2.864 2.668 3.746 0.156 7 0 "[ . 1 . 2]" 1
522 1 43 ILE H 1 46 ASN HB3 . . 4.380 2.922 2.701 4.017 . 0 0 "[ . 1 . 2]" 1
523 1 43 ILE HA 1 43 ILE QG . . 3.390 3.353 3.339 3.364 . 0 0 "[ . 1 . 2]" 1
524 1 43 ILE HA 1 43 ILE MG . . 2.400 2.397 2.362 2.413 0.013 14 0 "[ . 1 . 2]" 1
525 1 43 ILE HA 1 44 CYS H . . 2.750 2.374 2.326 2.434 . 0 0 "[ . 1 . 2]" 1
526 1 43 ILE HB 1 43 ILE MD . . 2.400 2.311 2.291 2.331 . 0 0 "[ . 1 . 2]" 1
527 1 43 ILE HB 1 43 ILE QG . . 2.400 2.432 2.421 2.447 0.047 14 0 "[ . 1 . 2]" 1
528 1 43 ILE HB 1 44 CYS H . . 2.820 2.505 2.459 2.553 . 0 0 "[ . 1 . 2]" 1
529 1 43 ILE MD 1 43 ILE MG . . 2.400 2.149 2.120 2.181 . 0 0 "[ . 1 . 2]" 1
530 1 43 ILE MD 1 45 MET H . . 2.400 2.479 2.446 2.508 0.108 1 0 "[ . 1 . 2]" 1
531 1 43 ILE MD 1 45 MET HA . . 4.360 4.324 4.257 4.365 0.005 14 0 "[ . 1 . 2]" 1
532 1 43 ILE MD 1 45 MET QB . . 3.030 2.039 1.959 2.110 . 0 0 "[ . 1 . 2]" 1
533 1 43 ILE MD 1 45 MET QG . . 3.430 3.175 2.440 3.470 0.040 18 0 "[ . 1 . 2]" 1
534 1 43 ILE MD 1 46 ASN H . . 3.980 3.415 3.203 3.592 . 0 0 "[ . 1 . 2]" 1
535 1 43 ILE MD 1 46 ASN QB . . 4.100 3.482 3.362 3.887 . 0 0 "[ . 1 . 2]" 1
536 1 43 ILE MD 1 46 ASN QD . . 4.770 4.809 4.772 4.957 0.187 7 0 "[ . 1 . 2]" 1
537 1 43 ILE QG 1 43 ILE MG . . 2.400 2.290 2.254 2.317 . 0 0 "[ . 1 . 2]" 1
538 1 43 ILE QG 1 44 CYS H . . 2.980 3.633 3.584 3.683 0.703 7 20 [******+******-******] 1
539 1 43 ILE QG 1 45 MET H . . 2.400 2.451 2.441 2.465 0.065 7 0 "[ . 1 . 2]" 1
540 1 43 ILE QG 1 46 ASN H . . 2.400 2.085 1.938 2.289 . 0 0 "[ . 1 . 2]" 1
541 1 43 ILE QG 1 46 ASN HD21 . . 4.700 3.468 3.351 4.421 . 0 0 "[ . 1 . 2]" 1
542 1 43 ILE QG 1 46 ASN QD . . 4.080 3.324 3.273 3.569 . 0 0 "[ . 1 . 2]" 1
543 1 43 ILE QG 1 46 ASN HD22 . . 4.700 4.548 3.767 4.687 . 0 0 "[ . 1 . 2]" 1
544 1 43 ILE MG 1 44 CYS H . . 3.780 3.784 3.732 3.848 0.068 10 0 "[ . 1 . 2]" 1
545 1 43 ILE MG 1 45 MET H . . 4.780 4.498 4.440 4.586 . 0 0 "[ . 1 . 2]" 1
546 1 43 ILE MG 1 46 ASN QD . . 5.070 4.622 4.552 4.679 . 0 0 "[ . 1 . 2]" 1
547 1 44 CYS CB 3 1 ZN ZN . . 3.300 3.401 3.353 3.485 0.185 5 0 "[ . 1 . 2]" 1
548 1 44 CYS H 1 45 MET H . . 3.880 3.118 3.099 3.143 . 0 0 "[ . 1 . 2]" 1
549 1 44 CYS H 1 46 ASN H . . 4.660 4.458 4.396 4.557 . 0 0 "[ . 1 . 2]" 1
550 1 44 CYS HA 1 45 MET H . . 3.530 3.654 3.635 3.669 0.139 17 0 "[ . 1 . 2]" 1
551 1 44 CYS HA 1 46 ASN H . . 3.840 4.069 3.902 4.201 0.361 12 0 "[ . 1 . 2]" 1
552 1 44 CYS HA 1 47 ASN H . . 3.670 3.434 3.380 3.608 . 0 0 "[ . 1 . 2]" 1
553 1 44 CYS HA 1 54 ASP H . . 4.690 4.569 4.409 4.700 0.010 20 0 "[ . 1 . 2]" 1
554 1 44 CYS QB 1 45 MET H . . 3.090 2.696 2.642 2.768 . 0 0 "[ . 1 . 2]" 1
555 1 44 CYS QB 1 53 ALA HA . . 3.060 3.116 3.067 3.146 0.086 5 0 "[ . 1 . 2]" 1
556 1 44 CYS QB 1 54 ASP H . . 2.870 2.695 2.529 2.832 . 0 0 "[ . 1 . 2]" 1
557 1 44 CYS QB 1 54 ASP HA . . 2.900 2.680 2.370 2.942 0.042 10 0 "[ . 1 . 2]" 1
558 1 44 CYS SG 3 1 ZN ZN . . 2.400 2.456 2.429 2.513 0.113 5 0 "[ . 1 . 2]" 1
559 1 45 MET H 1 45 MET QB . . 3.700 2.311 2.152 2.592 . 0 0 "[ . 1 . 2]" 1
560 1 45 MET H 1 45 MET QG . . 4.330 3.492 2.075 4.077 . 0 0 "[ . 1 . 2]" 1
561 1 45 MET H 1 46 ASN H . . 3.740 2.712 2.651 2.771 . 0 0 "[ . 1 . 2]" 1
562 1 45 MET HA 1 46 ASN H . . 3.520 3.459 3.384 3.506 . 0 0 "[ . 1 . 2]" 1
563 1 45 MET HA 1 53 ALA HA . . 4.610 4.224 4.081 4.411 . 0 0 "[ . 1 . 2]" 1
564 1 45 MET HA 1 53 ALA MB . . 3.490 3.410 3.225 3.519 0.029 14 0 "[ . 1 . 2]" 1
565 1 45 MET HA 1 54 ASP QB . . 5.240 5.217 4.864 5.308 0.068 5 0 "[ . 1 . 2]" 1
566 1 45 MET QB 1 46 ASN H . . 3.380 3.089 2.843 3.307 . 0 0 "[ . 1 . 2]" 1
567 1 45 MET QB 1 47 ASN H . . 5.190 4.754 4.652 4.832 . 0 0 "[ . 1 . 2]" 1
568 1 46 ASN H 1 47 ASN H . . 3.140 2.372 2.223 2.445 . 0 0 "[ . 1 . 2]" 1
569 1 46 ASN H 1 47 ASN QB . . 4.070 4.046 3.877 4.112 0.042 4 0 "[ . 1 . 2]" 1
570 1 46 ASN HA 1 46 ASN QD . . 3.940 3.877 3.631 3.924 . 0 0 "[ . 1 . 2]" 1
571 1 46 ASN QB 1 47 ASN H . . 3.570 3.669 3.626 3.876 0.306 7 0 "[ . 1 . 2]" 1
572 1 46 ASN QD 1 47 ASN H . . 3.180 2.910 2.811 3.183 0.003 7 0 "[ . 1 . 2]" 1
573 1 46 ASN QD 1 47 ASN HA . . 3.490 3.091 2.791 3.146 . 0 0 "[ . 1 . 2]" 1
574 1 46 ASN QD 1 47 ASN QB . . 3.960 3.635 3.425 3.961 0.001 7 0 "[ . 1 . 2]" 1
575 1 46 ASN QD 1 48 SER H . . 4.560 4.626 4.480 4.657 0.097 8 0 "[ . 1 . 2]" 1
576 1 47 ASN H 1 47 ASN HB2 . . 3.840 2.421 2.341 2.523 . 0 0 "[ . 1 . 2]" 1
577 1 47 ASN H 1 47 ASN QB . . 3.320 2.218 2.174 2.284 . 0 0 "[ . 1 . 2]" 1
578 1 47 ASN H 1 47 ASN HB3 . . 3.840 2.575 2.541 2.616 . 0 0 "[ . 1 . 2]" 1
579 1 47 ASN H 1 47 ASN QD . . 5.130 4.534 4.451 4.630 . 0 0 "[ . 1 . 2]" 1
580 1 47 ASN H 1 48 SER H . . 4.680 4.585 4.563 4.649 . 0 0 "[ . 1 . 2]" 1
581 1 47 ASN H 1 53 ALA HA . . 4.100 3.802 3.708 3.974 . 0 0 "[ . 1 . 2]" 1
582 1 47 ASN HA 1 47 ASN QD . . 4.600 4.130 4.079 4.172 . 0 0 "[ . 1 . 2]" 1
583 1 47 ASN HA 1 48 SER H . . 2.430 2.111 2.092 2.149 . 0 0 "[ . 1 . 2]" 1
584 1 47 ASN HA 1 48 SER QB . . 4.290 4.248 4.165 4.312 0.022 7 0 "[ . 1 . 2]" 1
585 1 47 ASN QB 1 48 SER H . . 3.650 3.663 3.594 3.689 0.039 20 0 "[ . 1 . 2]" 1
586 1 47 ASN QB 1 49 ASP H . . 3.970 3.760 3.667 3.842 . 0 0 "[ . 1 . 2]" 1
587 1 47 ASN QB 1 53 ALA H . . 3.960 4.075 4.030 4.121 0.161 16 0 "[ . 1 . 2]" 1
588 1 47 ASN QB 1 53 ALA HA . . 2.900 2.093 2.048 2.154 . 0 0 "[ . 1 . 2]" 1
589 1 47 ASN QB 1 53 ALA MB . . 3.080 2.170 2.111 2.252 . 0 0 "[ . 1 . 2]" 1
590 1 47 ASN HB2 1 48 SER H . . 4.270 4.137 4.065 4.186 . 0 0 "[ . 1 . 2]" 1
591 1 47 ASN HB2 1 53 ALA HA . . 3.390 3.074 2.987 3.174 . 0 0 "[ . 1 . 2]" 1
592 1 47 ASN HB2 1 53 ALA MB . . 3.710 3.631 3.551 3.728 0.018 15 0 "[ . 1 . 2]" 1
593 1 47 ASN HB3 1 48 SER H . . 4.270 4.088 4.005 4.120 . 0 0 "[ . 1 . 2]" 1
594 1 47 ASN HB3 1 53 ALA HA . . 3.390 2.130 2.082 2.196 . 0 0 "[ . 1 . 2]" 1
595 1 47 ASN HB3 1 53 ALA MB . . 3.710 2.187 2.126 2.271 . 0 0 "[ . 1 . 2]" 1
596 1 47 ASN QD 1 48 SER H . . 4.510 4.356 3.964 4.532 0.022 3 0 "[ . 1 . 2]" 1
597 1 47 ASN QD 1 51 ARG QB . . 4.950 4.918 4.523 5.005 0.055 12 0 "[ . 1 . 2]" 1
598 1 47 ASN QD 1 52 PHE HA . . 4.130 4.156 3.977 4.234 0.104 4 0 "[ . 1 . 2]" 1
599 1 47 ASN QD 1 52 PHE QB . . 2.870 2.177 2.019 2.311 . 0 0 "[ . 1 . 2]" 1
600 1 47 ASN QD 1 53 ALA HA . . 3.720 2.507 2.202 2.750 . 0 0 "[ . 1 . 2]" 1
601 1 47 ASN HD21 1 52 PHE HB2 . . 4.420 2.664 2.306 2.775 . 0 0 "[ . 1 . 2]" 1
602 1 47 ASN HD21 1 52 PHE HB3 . . 4.420 3.797 3.423 4.082 . 0 0 "[ . 1 . 2]" 1
603 1 47 ASN HD22 1 52 PHE HB2 . . 4.420 2.357 2.121 2.544 . 0 0 "[ . 1 . 2]" 1
604 1 47 ASN HD22 1 52 PHE HB3 . . 4.420 3.900 3.513 4.206 . 0 0 "[ . 1 . 2]" 1
605 1 48 SER H 1 48 SER QB . . 3.670 2.335 2.241 2.412 . 0 0 "[ . 1 . 2]" 1
606 1 48 SER H 1 49 ASP H . . 3.270 2.806 2.669 2.961 . 0 0 "[ . 1 . 2]" 1
607 1 48 SER HA 1 48 SER QB . . 2.560 2.428 2.410 2.463 . 0 0 "[ . 1 . 2]" 1
608 1 48 SER HA 1 49 ASP H . . 3.490 3.535 3.527 3.555 0.065 6 0 "[ . 1 . 2]" 1
609 1 48 SER HB2 1 49 ASP H . . 3.240 2.517 2.412 2.696 . 0 0 "[ . 1 . 2]" 1
610 1 48 SER HB3 1 49 ASP H . . 3.240 3.382 3.352 3.403 0.163 12 0 "[ . 1 . 2]" 1
611 1 49 ASP H 1 49 ASP HB2 . . 4.050 2.688 2.488 2.748 . 0 0 "[ . 1 . 2]" 1
612 1 49 ASP H 1 49 ASP QB . . 3.520 2.626 2.451 2.677 . 0 0 "[ . 1 . 2]" 1
613 1 49 ASP H 1 49 ASP HB3 . . 4.050 3.694 3.671 3.724 . 0 0 "[ . 1 . 2]" 1
614 1 49 ASP H 1 50 LYS H . . 4.380 4.240 4.127 4.299 . 0 0 "[ . 1 . 2]" 1
615 1 49 ASP H 1 53 ALA MB . . 3.930 3.984 3.969 4.022 0.092 3 0 "[ . 1 . 2]" 1
616 1 49 ASP HA 1 50 LYS H . . 2.400 2.097 2.035 2.128 . 0 0 "[ . 1 . 2]" 1
617 1 49 ASP HA 1 50 LYS QG . . 3.730 3.774 3.749 3.791 0.061 20 0 "[ . 1 . 2]" 1
618 1 49 ASP HA 1 51 ARG H . . 3.580 3.564 3.354 3.629 0.049 8 0 "[ . 1 . 2]" 1
619 1 49 ASP QB 1 50 LYS H . . 3.550 3.547 3.473 3.592 0.042 5 0 "[ . 1 . 2]" 1
620 1 49 ASP QB 1 51 ARG H . . 3.300 3.110 2.729 3.195 . 0 0 "[ . 1 . 2]" 1
621 1 49 ASP QB 1 52 PHE H . . 3.310 3.117 2.968 3.370 0.060 6 0 "[ . 1 . 2]" 1
622 1 49 ASP HB2 1 50 LYS H . . 4.260 4.323 4.305 4.393 0.133 3 0 "[ . 1 . 2]" 1
623 1 49 ASP HB2 1 51 ARG H . . 3.960 4.014 3.974 4.047 0.087 19 0 "[ . 1 . 2]" 1
624 1 49 ASP HB2 1 52 PHE H . . 4.050 3.355 3.130 3.716 . 0 0 "[ . 1 . 2]" 1
625 1 49 ASP HB3 1 50 LYS H . . 4.260 3.769 3.656 3.839 . 0 0 "[ . 1 . 2]" 1
626 1 49 ASP HB3 1 51 ARG H . . 3.960 3.244 2.774 3.350 . 0 0 "[ . 1 . 2]" 1
627 1 49 ASP HB3 1 52 PHE H . . 4.050 3.724 3.305 3.941 . 0 0 "[ . 1 . 2]" 1
628 1 50 LYS H 1 50 LYS QB . . 3.540 2.480 2.383 2.502 . 0 0 "[ . 1 . 2]" 1
629 1 50 LYS H 1 50 LYS QG . . 2.370 2.090 2.043 2.196 . 0 0 "[ . 1 . 2]" 1
630 1 50 LYS H 1 51 ARG H . . 3.470 2.831 2.765 2.859 . 0 0 "[ . 1 . 2]" 1
631 1 50 LYS H 1 52 PHE H . . 4.340 4.386 4.352 4.429 0.089 6 0 "[ . 1 . 2]" 1
632 1 50 LYS H 1 53 ALA MB . . 3.890 3.914 3.894 3.930 0.040 20 0 "[ . 1 . 2]" 1
633 1 50 LYS HA 1 50 LYS QB . . 2.450 2.377 2.289 2.396 . 0 0 "[ . 1 . 2]" 1
634 1 50 LYS HA 1 50 LYS QD . . 2.400 2.306 2.263 2.551 0.151 13 0 "[ . 1 . 2]" 1
635 1 50 LYS HA 1 50 LYS QG . . 2.780 2.793 2.738 2.963 0.183 13 0 "[ . 1 . 2]" 1
636 1 50 LYS HA 1 52 PHE H . . 3.860 3.750 3.670 3.841 . 0 0 "[ . 1 . 2]" 1
637 1 50 LYS HA 1 53 ALA H . . 3.360 3.187 3.021 3.296 . 0 0 "[ . 1 . 2]" 1
638 1 50 LYS HA 1 53 ALA MB . . 2.850 2.125 2.066 2.208 . 0 0 "[ . 1 . 2]" 1
639 1 50 LYS QB 1 50 LYS QD . . 2.390 2.461 2.256 2.478 0.088 9 0 "[ . 1 . 2]" 1
640 1 50 LYS QB 1 50 LYS QE . . 2.560 2.089 2.036 2.907 0.347 13 0 "[ . 1 . 2]" 1
641 1 50 LYS QB 1 50 LYS QG . . 2.180 2.046 1.984 2.052 . 0 0 "[ . 1 . 2]" 1
642 1 50 LYS QB 1 51 ARG H . . 3.440 3.061 2.945 3.171 . 0 0 "[ . 1 . 2]" 1
643 1 50 LYS HB2 1 50 LYS QE . . 3.230 3.289 3.278 3.400 0.170 13 0 "[ . 1 . 2]" 1
644 1 50 LYS HB2 1 51 ARG H . . 4.060 3.172 3.039 3.306 . 0 0 "[ . 1 . 2]" 1
645 1 50 LYS HB3 1 50 LYS QE . . 3.230 2.121 2.056 3.157 . 0 0 "[ . 1 . 2]" 1
646 1 50 LYS HB3 1 51 ARG H . . 4.060 4.027 3.944 4.074 0.014 6 0 "[ . 1 . 2]" 1
647 1 50 LYS QD 1 50 LYS QE . . 2.400 2.095 2.009 2.121 . 0 0 "[ . 1 . 2]" 1
648 1 50 LYS QD 1 50 LYS HG2 . . 2.400 2.204 2.187 2.484 0.084 13 0 "[ . 1 . 2]" 1
649 1 50 LYS QD 1 50 LYS HG3 . . 2.400 2.425 2.191 2.453 0.053 11 0 "[ . 1 . 2]" 1
650 1 50 LYS QE 1 50 LYS QG . . 2.390 2.274 2.125 2.436 0.046 11 0 "[ . 1 . 2]" 1
651 1 51 ARG H 1 51 ARG QB . . 3.300 2.275 2.228 2.334 . 0 0 "[ . 1 . 2]" 1
652 1 51 ARG H 1 52 PHE H . . 3.120 2.595 2.531 2.680 . 0 0 "[ . 1 . 2]" 1
653 1 51 ARG H 1 53 ALA H . . 4.160 4.132 4.045 4.208 0.048 16 0 "[ . 1 . 2]" 1
654 1 51 ARG H 1 53 ALA MB . . 4.710 4.349 4.253 4.469 . 0 0 "[ . 1 . 2]" 1
655 1 51 ARG QB 1 51 ARG QD . . 3.400 2.337 2.132 2.923 . 0 0 "[ . 1 . 2]" 1
656 1 51 ARG QB 1 52 PHE H . . 2.930 2.897 2.739 2.964 0.034 1 0 "[ . 1 . 2]" 1
657 1 51 ARG QB 1 52 PHE QD . . 3.930 2.511 2.294 2.910 . 0 0 "[ . 1 . 2]" 1
658 1 51 ARG HB2 1 52 PHE H . . 3.720 3.010 2.817 3.110 . 0 0 "[ . 1 . 2]" 1
659 1 51 ARG HB3 1 52 PHE H . . 3.720 3.777 3.730 3.818 0.098 10 0 "[ . 1 . 2]" 1
660 1 52 PHE H 1 52 PHE QD . . 3.820 2.687 2.448 3.461 . 0 0 "[ . 1 . 2]" 1
661 1 52 PHE H 1 53 ALA H . . 3.140 2.278 2.176 2.397 . 0 0 "[ . 1 . 2]" 1
662 1 52 PHE H 1 53 ALA HA . . 4.560 4.490 4.396 4.554 . 0 0 "[ . 1 . 2]" 1
663 1 52 PHE H 1 53 ALA MB . . 3.890 3.475 3.393 3.530 . 0 0 "[ . 1 . 2]" 1
664 1 52 PHE HA 1 52 PHE QD . . 3.800 3.189 2.686 3.324 . 0 0 "[ . 1 . 2]" 1
665 1 52 PHE HA 1 53 ALA H . . 2.950 3.074 3.023 3.119 0.169 1 0 "[ . 1 . 2]" 1
666 1 52 PHE HA 1 54 ASP H . . 3.710 3.674 3.510 3.753 0.043 6 0 "[ . 1 . 2]" 1
667 1 52 PHE HA 1 57 LYS HA . . 4.650 4.616 4.552 4.671 0.021 10 0 "[ . 1 . 2]" 1
668 1 52 PHE HA 1 57 LYS QB . . 2.390 2.032 1.982 2.119 . 0 0 "[ . 1 . 2]" 1
669 1 52 PHE HA 1 57 LYS QG . . 2.400 2.465 2.436 2.493 0.093 20 0 "[ . 1 . 2]" 1
670 1 52 PHE HA 1 58 SER H . . 3.520 3.627 3.578 3.690 0.170 6 0 "[ . 1 . 2]" 1
671 1 52 PHE QB 1 53 ALA H . . 3.970 3.661 3.537 3.783 . 0 0 "[ . 1 . 2]" 1
672 1 52 PHE HB2 1 53 ALA H . . 4.780 3.886 3.728 4.049 . 0 0 "[ . 1 . 2]" 1
673 1 52 PHE HB3 1 53 ALA H . . 4.780 4.476 4.397 4.555 . 0 0 "[ . 1 . 2]" 1
674 1 52 PHE QD 1 59 GLN H . . 3.640 3.598 3.382 3.845 0.205 15 0 "[ . 1 . 2]" 1
675 1 52 PHE QD 1 60 GLU H . . 4.370 4.440 4.124 4.497 0.127 10 0 "[ . 1 . 2]" 1
676 1 53 ALA H 1 53 ALA MB . . 3.510 2.262 2.208 2.298 . 0 0 "[ . 1 . 2]" 1
677 1 53 ALA H 1 54 ASP H . . 3.220 3.264 3.152 3.336 0.116 9 0 "[ . 1 . 2]" 1
678 1 53 ALA H 1 54 ASP QB . . 4.690 4.725 4.595 4.821 0.131 5 0 "[ . 1 . 2]" 1
679 1 53 ALA H 1 57 LYS QG . . 3.180 3.101 2.731 3.219 0.039 2 0 "[ . 1 . 2]" 1
680 1 53 ALA HA 1 54 ASP H . . 3.220 2.723 2.635 2.851 . 0 0 "[ . 1 . 2]" 1
681 1 53 ALA HA 1 54 ASP HA . . 4.450 4.237 4.080 4.328 . 0 0 "[ . 1 . 2]" 1
682 1 53 ALA MB 1 54 ASP H . . 3.900 3.730 3.716 3.750 . 0 0 "[ . 1 . 2]" 1
683 1 54 ASP H 1 54 ASP QB . . 3.660 2.855 2.781 2.918 . 0 0 "[ . 1 . 2]" 1
684 1 54 ASP H 1 55 CYS H . . 4.440 4.320 4.275 4.363 . 0 0 "[ . 1 . 2]" 1
685 1 54 ASP H 1 56 SER H . . 4.870 4.537 4.350 4.717 . 0 0 "[ . 1 . 2]" 1
686 1 54 ASP H 1 57 LYS H . . 4.230 3.630 3.535 3.719 . 0 0 "[ . 1 . 2]" 1
687 1 54 ASP H 1 57 LYS HB2 . . 4.090 2.551 2.361 2.834 . 0 0 "[ . 1 . 2]" 1
688 1 54 ASP H 1 57 LYS QB . . 3.470 2.523 2.340 2.786 . 0 0 "[ . 1 . 2]" 1
689 1 54 ASP H 1 57 LYS HB3 . . 4.090 3.984 3.779 4.146 0.056 15 0 "[ . 1 . 2]" 1
690 1 54 ASP H 1 57 LYS QG . . 3.070 2.878 2.423 3.107 0.037 5 0 "[ . 1 . 2]" 1
691 1 54 ASP HA 1 55 CYS H . . 2.400 2.208 2.156 2.275 . 0 0 "[ . 1 . 2]" 1
692 1 54 ASP HA 1 55 CYS HA . . 4.350 4.373 4.288 4.468 0.118 20 0 "[ . 1 . 2]" 1
693 1 54 ASP HA 1 56 SER H . . 3.680 3.717 3.623 3.761 0.081 1 0 "[ . 1 . 2]" 1
694 1 54 ASP HA 1 57 LYS H . . 4.320 4.443 4.342 4.562 0.242 12 0 "[ . 1 . 2]" 1
695 1 54 ASP QB 1 55 CYS H . . 3.120 2.939 2.814 3.359 0.239 20 0 "[ . 1 . 2]" 1
696 1 54 ASP QB 1 57 LYS QG . . 3.470 2.081 2.031 2.135 . 0 0 "[ . 1 . 2]" 1
697 1 54 ASP HB2 1 56 SER H . . 3.460 3.273 2.752 3.633 0.173 9 0 "[ . 1 . 2]" 1
698 1 54 ASP HB2 1 57 LYS H . . 3.710 3.106 2.442 3.754 0.044 11 0 "[ . 1 . 2]" 1
699 1 54 ASP HB3 1 56 SER H . . 3.460 2.164 1.975 2.390 . 0 0 "[ . 1 . 2]" 1
700 1 54 ASP HB3 1 57 LYS H . . 3.710 3.118 2.201 3.503 . 0 0 "[ . 1 . 2]" 1
701 1 55 CYS CB 3 1 ZN ZN . . 3.300 3.419 3.369 3.498 0.198 15 0 "[ . 1 . 2]" 1
702 1 55 CYS H 1 55 CYS QB . . 3.500 2.343 2.236 2.419 . 0 0 "[ . 1 . 2]" 1
703 1 55 CYS H 1 56 SER H . . 3.620 2.761 2.680 2.827 . 0 0 "[ . 1 . 2]" 1
704 1 55 CYS H 1 57 LYS H . . 4.330 4.281 4.181 4.365 0.035 16 0 "[ . 1 . 2]" 1
705 1 55 CYS HA 1 57 LYS H . . 4.180 4.022 3.876 4.136 . 0 0 "[ . 1 . 2]" 1
706 1 55 CYS QB 1 56 SER H . . 3.480 3.185 3.057 3.298 . 0 0 "[ . 1 . 2]" 1
707 1 55 CYS QB 1 56 SER HA . . 4.280 4.306 4.239 4.373 0.093 19 0 "[ . 1 . 2]" 1
708 1 55 CYS SG 3 1 ZN ZN . . 2.400 2.482 2.449 2.518 0.118 15 0 "[ . 1 . 2]" 1
709 1 56 SER H 1 56 SER HB2 . . 4.020 2.522 2.491 2.552 . 0 0 "[ . 1 . 2]" 1
710 1 56 SER H 1 56 SER QB . . 3.370 2.481 2.452 2.509 . 0 0 "[ . 1 . 2]" 1
711 1 56 SER H 1 56 SER HB3 . . 4.020 3.679 3.642 3.704 . 0 0 "[ . 1 . 2]" 1
712 1 56 SER H 1 57 LYS H . . 3.230 2.298 2.191 2.415 . 0 0 "[ . 1 . 2]" 1
713 1 56 SER H 1 57 LYS QB . . 4.090 4.214 4.176 4.254 0.164 4 0 "[ . 1 . 2]" 1
714 1 56 SER H 1 57 LYS QG . . 4.330 4.067 3.608 4.378 0.048 3 0 "[ . 1 . 2]" 1
715 1 56 SER HA 1 56 SER QB . . 2.310 2.342 2.337 2.350 0.040 15 0 "[ . 1 . 2]" 1
716 1 56 SER QB 1 57 LYS H . . 3.410 3.117 3.024 3.216 . 0 0 "[ . 1 . 2]" 1
717 1 56 SER QB 1 57 LYS HA . . 4.100 4.065 4.016 4.135 0.035 15 0 "[ . 1 . 2]" 1
718 1 56 SER HB2 1 57 LYS HA . . 4.660 4.463 4.372 4.598 . 0 0 "[ . 1 . 2]" 1
719 1 56 SER HB3 1 57 LYS HA . . 4.660 4.683 4.673 4.696 0.036 12 0 "[ . 1 . 2]" 1
720 1 57 LYS H 1 57 LYS QB . . 3.580 2.268 2.151 2.373 . 0 0 "[ . 1 . 2]" 1
721 1 57 LYS H 1 57 LYS QD . . 5.500 4.155 3.254 4.637 . 0 0 "[ . 1 . 2]" 1
722 1 57 LYS H 1 57 LYS QE . . 4.590 3.941 3.234 4.626 0.036 5 0 "[ . 1 . 2]" 1
723 1 57 LYS H 1 57 LYS QG . . 3.360 2.745 2.397 3.048 . 0 0 "[ . 1 . 2]" 1
724 1 57 LYS HA 1 57 LYS QD . . 4.650 2.542 2.168 2.873 . 0 0 "[ . 1 . 2]" 1
725 1 57 LYS HA 1 57 LYS HE2 . . 3.790 2.519 1.920 3.844 0.054 20 0 "[ . 1 . 2]" 1
726 1 57 LYS HA 1 57 LYS HE3 . . 3.790 3.125 2.355 3.537 . 0 0 "[ . 1 . 2]" 1
727 1 57 LYS HA 1 57 LYS QG . . 3.950 2.977 2.762 3.159 . 0 0 "[ . 1 . 2]" 1
728 1 57 LYS HA 1 58 SER H . . 2.990 2.481 2.362 2.630 . 0 0 "[ . 1 . 2]" 1
729 1 57 LYS HA 1 58 SER QB . . 4.350 3.959 3.748 4.104 . 0 0 "[ . 1 . 2]" 1
730 1 57 LYS QB 1 57 LYS QD . . 2.720 2.545 2.317 2.902 0.182 11 0 "[ . 1 . 2]" 1
731 1 57 LYS QB 1 57 LYS QE . . 3.600 2.977 2.198 3.351 . 0 0 "[ . 1 . 2]" 1
732 1 57 LYS QB 1 58 SER H . . 3.820 1.991 1.886 2.104 . 0 0 "[ . 1 . 2]" 1
733 1 57 LYS QB 1 58 SER HA . . 4.200 4.246 3.908 4.279 0.079 12 0 "[ . 1 . 2]" 1
734 1 57 LYS QB 1 58 SER QB . . 4.020 3.946 3.679 4.196 0.176 15 0 "[ . 1 . 2]" 1
735 1 57 LYS HB2 1 57 LYS HE2 . . 4.910 4.175 4.014 4.356 . 0 0 "[ . 1 . 2]" 1
736 1 57 LYS HB2 1 57 LYS HE3 . . 4.910 4.371 3.842 4.636 . 0 0 "[ . 1 . 2]" 1
737 1 57 LYS HB3 1 57 LYS HE2 . . 4.910 3.504 2.750 3.884 . 0 0 "[ . 1 . 2]" 1
738 1 57 LYS HB3 1 57 LYS HE3 . . 4.910 3.865 2.326 4.580 . 0 0 "[ . 1 . 2]" 1
739 1 57 LYS QE 1 57 LYS QG . . 2.810 2.279 2.196 2.447 . 0 0 "[ . 1 . 2]" 1
740 1 57 LYS HE2 1 57 LYS QG . . 3.520 2.672 2.506 2.771 . 0 0 "[ . 1 . 2]" 1
741 1 57 LYS HE3 1 57 LYS QG . . 3.520 2.562 2.326 3.113 . 0 0 "[ . 1 . 2]" 1
742 1 57 LYS QG 1 58 SER H . . 4.310 3.889 3.736 3.983 . 0 0 "[ . 1 . 2]" 1
743 1 58 SER H 1 58 SER QB . . 3.630 2.385 2.265 2.801 . 0 0 "[ . 1 . 2]" 1
744 1 58 SER H 1 59 GLN H . . 4.620 4.327 4.208 4.412 . 0 0 "[ . 1 . 2]" 1
745 1 58 SER HA 1 58 SER QB . . 2.370 2.340 2.195 2.399 0.029 1 0 "[ . 1 . 2]" 1
746 1 58 SER HA 1 59 GLN H . . 2.820 2.765 2.054 2.879 0.059 6 0 "[ . 1 . 2]" 1
747 1 58 SER HA 1 59 GLN QB . . 4.410 4.092 3.426 4.356 . 0 0 "[ . 1 . 2]" 1
748 1 58 SER QB 1 59 GLN H . . 2.870 2.501 1.991 3.069 0.199 15 0 "[ . 1 . 2]" 1
749 1 58 SER HB2 1 59 GLN H . . 3.630 3.159 2.002 3.634 0.004 15 0 "[ . 1 . 2]" 1
750 1 58 SER HB3 1 59 GLN H . . 3.630 2.961 2.591 3.590 . 0 0 "[ . 1 . 2]" 1
751 1 59 GLN H 1 59 GLN QB . . 3.560 3.037 1.961 3.241 . 0 0 "[ . 1 . 2]" 1
752 1 59 GLN H 1 59 GLN QG . . 4.600 2.921 2.364 4.247 . 0 0 "[ . 1 . 2]" 1
753 1 59 GLN H 1 60 GLU H . . 4.560 4.435 4.382 4.639 0.079 15 0 "[ . 1 . 2]" 1
754 1 59 GLN HA 1 60 GLU H . . 2.770 2.462 2.380 2.525 . 0 0 "[ . 1 . 2]" 1
755 1 59 GLN HA 1 61 MET H . . 4.390 4.423 4.271 4.503 0.113 19 0 "[ . 1 . 2]" 1
756 1 59 GLN QB 1 59 GLN HE22 . . 4.790 3.911 3.679 4.221 . 0 0 "[ . 1 . 2]" 1
757 1 59 GLN QB 1 60 GLU H . . 3.710 2.758 2.245 3.642 . 0 0 "[ . 1 . 2]" 1
758 1 59 GLN QB 1 61 MET H . . 3.540 3.318 3.016 3.582 0.042 16 0 "[ . 1 . 2]" 1
759 1 59 GLN QB 1 61 MET QB . . 5.300 5.261 4.949 5.336 0.036 10 0 "[ . 1 . 2]" 1
760 1 59 GLN QE 1 61 MET H . . 3.620 3.482 3.352 3.604 . 0 0 "[ . 1 . 2]" 1
761 1 59 GLN QE 1 62 SER HA . . 3.050 2.616 2.465 2.873 . 0 0 "[ . 1 . 2]" 1
762 1 59 GLN QE 1 63 ASN H . . 3.690 3.045 2.831 3.327 . 0 0 "[ . 1 . 2]" 1
763 1 59 GLN QE 1 63 ASN HA . . 3.360 3.197 2.842 3.413 0.053 8 0 "[ . 1 . 2]" 1
764 1 59 GLN QE 1 66 ILE MG . . 3.090 2.760 2.371 2.932 . 0 0 "[ . 1 . 2]" 1
765 1 59 GLN HE21 1 62 SER HA . . 3.530 2.789 2.539 3.038 . 0 0 "[ . 1 . 2]" 1
766 1 59 GLN HE21 1 63 ASN H . . 4.430 3.752 3.425 4.003 . 0 0 "[ . 1 . 2]" 1
767 1 59 GLN HE21 1 63 ASN HA . . 3.880 3.737 3.467 3.935 0.055 14 0 "[ . 1 . 2]" 1
768 1 59 GLN HE21 1 66 ILE MG . . 3.550 2.899 2.485 3.116 . 0 0 "[ . 1 . 2]" 1
769 1 59 GLN HE22 1 62 SER HA . . 3.530 3.229 2.844 3.545 0.015 16 0 "[ . 1 . 2]" 1
770 1 59 GLN HE22 1 63 ASN H . . 4.430 3.240 2.938 3.558 . 0 0 "[ . 1 . 2]" 1
771 1 59 GLN HE22 1 63 ASN HA . . 3.880 3.477 3.019 3.752 . 0 0 "[ . 1 . 2]" 1
772 1 59 GLN HE22 1 66 ILE MG . . 3.550 3.475 2.966 3.638 0.088 11 0 "[ . 1 . 2]" 1
773 1 59 GLN QG 1 60 GLU H . . 3.970 3.085 2.136 3.440 . 0 0 "[ . 1 . 2]" 1
774 1 59 GLN QG 1 61 MET H . . 2.790 2.151 2.117 2.207 . 0 0 "[ . 1 . 2]" 1
775 1 59 GLN HG2 1 61 MET H . . 3.560 3.262 2.140 3.667 0.107 8 0 "[ . 1 . 2]" 1
776 1 59 GLN HG3 1 61 MET H . . 3.560 2.533 2.130 3.628 0.068 16 0 "[ . 1 . 2]" 1
777 1 60 GLU H 1 60 GLU QB . . 3.590 2.423 2.053 2.672 . 0 0 "[ . 1 . 2]" 1
778 1 60 GLU H 1 61 MET H . . 3.830 2.757 2.385 2.951 . 0 0 "[ . 1 . 2]" 1
779 1 60 GLU HA 1 60 GLU QB . . 2.620 2.379 2.281 2.580 . 0 0 "[ . 1 . 2]" 1
780 1 60 GLU HA 1 60 GLU QG . . 3.490 2.768 2.235 3.214 . 0 0 "[ . 1 . 2]" 1
781 1 60 GLU QB 1 61 MET H . . 3.050 2.826 2.538 3.059 0.009 6 0 "[ . 1 . 2]" 1
782 1 61 MET H 1 61 MET QG . . 4.870 3.461 3.160 3.853 . 0 0 "[ . 1 . 2]" 1
783 1 61 MET H 1 62 SER H . . 4.700 4.269 4.155 4.385 . 0 0 "[ . 1 . 2]" 1
784 1 61 MET H 1 66 ILE MG . . 4.540 4.392 4.080 4.585 0.045 20 0 "[ . 1 . 2]" 1
785 1 61 MET HA 1 62 SER H . . 2.400 2.244 2.132 2.337 . 0 0 "[ . 1 . 2]" 1
786 1 61 MET QB 1 61 MET QG . . 2.310 2.068 2.012 2.115 . 0 0 "[ . 1 . 2]" 1
787 1 61 MET QB 1 62 SER H . . 2.980 3.032 2.984 3.087 0.107 20 0 "[ . 1 . 2]" 1
788 1 61 MET QB 1 65 GLU H . . 4.480 4.126 3.933 4.296 . 0 0 "[ . 1 . 2]" 1
789 1 61 MET QB 1 66 ILE H . . 2.990 2.973 2.842 3.073 0.083 10 0 "[ . 1 . 2]" 1
790 1 61 MET QB 1 66 ILE MG . . 3.320 2.991 2.624 3.240 . 0 0 "[ . 1 . 2]" 1
791 1 61 MET HB2 1 66 ILE H . . 3.730 3.691 3.539 3.793 0.063 14 0 "[ . 1 . 2]" 1
792 1 61 MET HB2 1 66 ILE MG . . 3.800 3.200 2.730 3.570 . 0 0 "[ . 1 . 2]" 1
793 1 61 MET HB3 1 66 ILE H . . 3.730 3.141 2.940 3.320 . 0 0 "[ . 1 . 2]" 1
794 1 61 MET HB3 1 66 ILE MG . . 3.800 3.609 3.288 3.805 0.005 9 0 "[ . 1 . 2]" 1
795 1 62 SER H 1 62 SER QB . . 3.680 2.754 2.684 2.910 . 0 0 "[ . 1 . 2]" 1
796 1 62 SER H 1 63 ASN H . . 4.740 4.673 4.575 4.716 . 0 0 "[ . 1 . 2]" 1
797 1 62 SER H 1 65 GLU H . . 4.330 4.318 4.167 4.383 0.053 11 0 "[ . 1 . 2]" 1
798 1 62 SER H 1 66 ILE H . . 4.880 4.555 4.361 4.787 . 0 0 "[ . 1 . 2]" 1
799 1 62 SER HA 1 62 SER QB . . 2.390 2.233 2.115 2.282 . 0 0 "[ . 1 . 2]" 1
800 1 62 SER HA 1 63 ASN H . . 2.530 2.370 2.215 2.459 . 0 0 "[ . 1 . 2]" 1
801 1 62 SER HA 1 64 GLU H . . 4.410 4.465 4.418 4.516 0.106 5 0 "[ . 1 . 2]" 1
802 1 62 SER QB 1 63 ASN H . . 2.730 2.448 2.296 2.547 . 0 0 "[ . 1 . 2]" 1
803 1 62 SER HB2 1 63 ASN H . . 3.210 3.175 2.332 3.385 0.175 16 0 "[ . 1 . 2]" 1
804 1 62 SER HB3 1 63 ASN H . . 3.210 2.709 2.415 3.431 0.221 19 0 "[ . 1 . 2]" 1
805 1 63 ASN H 1 63 ASN QB . . 3.650 2.474 2.216 2.667 . 0 0 "[ . 1 . 2]" 1
806 1 63 ASN H 1 63 ASN QD . . 5.280 4.194 3.890 4.631 . 0 0 "[ . 1 . 2]" 1
807 1 63 ASN H 1 64 GLU H . . 3.640 2.834 2.697 2.930 . 0 0 "[ . 1 . 2]" 1
808 1 63 ASN H 1 65 GLU H . . 4.410 4.205 4.092 4.298 . 0 0 "[ . 1 . 2]" 1
809 1 63 ASN H 1 66 ILE MG . . 4.290 3.889 3.762 4.015 . 0 0 "[ . 1 . 2]" 1
810 1 63 ASN HA 1 65 GLU H . . 3.950 3.818 3.504 4.010 0.060 12 0 "[ . 1 . 2]" 1
811 1 63 ASN HA 1 66 ILE H . . 3.750 3.428 3.066 3.624 . 0 0 "[ . 1 . 2]" 1
812 1 63 ASN HA 1 66 ILE HB . . 4.640 4.603 4.369 4.721 0.081 18 0 "[ . 1 . 2]" 1
813 1 63 ASN HA 1 66 ILE MG . . 3.270 2.060 1.974 2.151 . 0 0 "[ . 1 . 2]" 1
814 1 63 ASN HA 1 67 ASN H . . 3.940 3.850 3.415 4.116 0.176 15 0 "[ . 1 . 2]" 1
815 1 63 ASN QB 1 64 GLU H . . 3.100 2.938 2.723 3.144 0.044 9 0 "[ . 1 . 2]" 1
816 1 64 GLU H 1 64 GLU QB . . 3.530 2.364 2.130 2.697 . 0 0 "[ . 1 . 2]" 1
817 1 64 GLU H 1 64 GLU QG . . 4.930 3.238 2.007 4.052 . 0 0 "[ . 1 . 2]" 1
818 1 64 GLU H 1 65 GLU H . . 3.460 2.625 2.414 2.782 . 0 0 "[ . 1 . 2]" 1
819 1 64 GLU HA 1 67 ASN HD21 . . 3.860 3.740 2.942 3.930 0.070 8 0 "[ . 1 . 2]" 1
820 1 64 GLU HA 1 67 ASN QD . . 3.230 2.539 2.301 2.688 . 0 0 "[ . 1 . 2]" 1
821 1 64 GLU HA 1 67 ASN HD22 . . 3.860 2.587 2.361 2.737 . 0 0 "[ . 1 . 2]" 1
822 1 65 GLU H 1 65 GLU QB . . 3.620 2.463 2.327 2.558 . 0 0 "[ . 1 . 2]" 1
823 1 65 GLU H 1 65 GLU QG . . 3.850 2.862 2.410 3.892 0.042 20 0 "[ . 1 . 2]" 1
824 1 65 GLU H 1 66 ILE H . . 3.150 2.265 2.081 2.598 . 0 0 "[ . 1 . 2]" 1
825 1 65 GLU H 1 68 GLU QB . . 4.820 4.839 4.733 4.875 0.055 17 0 "[ . 1 . 2]" 1
826 1 65 GLU HA 1 68 GLU H . . 3.930 3.691 3.284 3.970 0.040 18 0 "[ . 1 . 2]" 1
827 1 65 GLU QB 1 66 ILE H . . 3.200 2.604 2.406 2.867 . 0 0 "[ . 1 . 2]" 1
828 1 65 GLU HB2 1 65 GLU QG . . 2.400 2.239 2.136 2.426 0.026 20 0 "[ . 1 . 2]" 1
829 1 65 GLU HB2 1 66 ILE H . . 3.950 2.674 2.455 3.000 . 0 0 "[ . 1 . 2]" 1
830 1 65 GLU HB3 1 65 GLU QG . . 2.400 2.328 2.122 2.415 0.015 10 0 "[ . 1 . 2]" 1
831 1 65 GLU HB3 1 66 ILE H . . 3.950 3.638 3.426 3.806 . 0 0 "[ . 1 . 2]" 1
832 1 66 ILE H 1 66 ILE HB . . 3.520 2.855 2.594 3.039 . 0 0 "[ . 1 . 2]" 1
833 1 66 ILE H 1 66 ILE MD . . 4.910 4.277 4.133 4.393 . 0 0 "[ . 1 . 2]" 1
834 1 66 ILE H 1 66 ILE HG12 . . 4.750 4.742 4.690 4.782 0.032 13 0 "[ . 1 . 2]" 1
835 1 66 ILE H 1 66 ILE QG . . 4.150 4.087 3.993 4.186 0.036 15 0 "[ . 1 . 2]" 1
836 1 66 ILE H 1 66 ILE HG13 . . 4.750 4.468 4.325 4.648 . 0 0 "[ . 1 . 2]" 1
837 1 66 ILE H 1 66 ILE MG . . 4.700 2.079 1.956 2.242 . 0 0 "[ . 1 . 2]" 1
838 1 66 ILE H 1 67 ASN H . . 3.040 2.823 2.695 3.015 . 0 0 "[ . 1 . 2]" 1
839 1 66 ILE H 1 67 ASN QB . . 5.210 5.004 4.853 5.187 . 0 0 "[ . 1 . 2]" 1
840 1 66 ILE H 1 68 GLU H . . 4.390 4.324 4.197 4.437 0.047 4 0 "[ . 1 . 2]" 1
841 1 66 ILE H 1 68 GLU QB . . 5.340 4.876 4.728 5.085 . 0 0 "[ . 1 . 2]" 1
842 1 66 ILE H 1 69 GLU H . . 5.480 5.038 4.850 5.270 . 0 0 "[ . 1 . 2]" 1
843 1 66 ILE HA 1 66 ILE MD . . 4.560 2.172 1.929 2.417 . 0 0 "[ . 1 . 2]" 1
844 1 66 ILE HA 1 66 ILE QG . . 3.680 3.152 3.065 3.243 . 0 0 "[ . 1 . 2]" 1
845 1 66 ILE HA 1 67 ASN HA . . 5.500 4.625 4.203 4.847 . 0 0 "[ . 1 . 2]" 1
846 1 66 ILE HA 1 68 GLU H . . 4.370 4.252 4.149 4.377 0.007 18 0 "[ . 1 . 2]" 1
847 1 66 ILE HA 1 68 GLU QB . . 5.340 4.704 4.439 4.893 . 0 0 "[ . 1 . 2]" 1
848 1 66 ILE HA 1 69 GLU H . . 3.350 3.287 3.090 3.419 0.069 11 0 "[ . 1 . 2]" 1
849 1 66 ILE HA 1 69 GLU HB2 . . 4.060 3.080 2.781 3.516 . 0 0 "[ . 1 . 2]" 1
850 1 66 ILE HA 1 69 GLU QB . . 3.290 2.835 2.559 3.097 . 0 0 "[ . 1 . 2]" 1
851 1 66 ILE HA 1 69 GLU HB3 . . 4.060 3.340 2.989 3.677 . 0 0 "[ . 1 . 2]" 1
852 1 66 ILE HB 1 67 ASN H . . 4.110 4.172 3.995 4.362 0.252 15 0 "[ . 1 . 2]" 1
853 1 66 ILE MD 1 67 ASN H . . 3.840 4.039 3.977 4.101 0.261 14 0 "[ . 1 . 2]" 1
854 1 66 ILE MD 1 67 ASN HA . . 3.860 3.888 3.689 4.012 0.152 14 0 "[ . 1 . 2]" 1
855 1 66 ILE MD 1 70 LEU H . . 3.960 3.663 3.245 3.967 0.007 15 0 "[ . 1 . 2]" 1
856 1 66 ILE MD 1 70 LEU QD . . 3.010 1.980 1.896 2.096 . 0 0 "[ . 1 . 2]" 1
857 1 66 ILE MD 2 6 THR HB . . 4.860 4.467 3.801 4.823 . 0 0 "[ . 1 . 2]" 1
858 1 66 ILE MD 2 6 THR MG . . 3.210 2.195 1.976 2.835 . 0 0 "[ . 1 . 2]" 1
859 1 66 ILE QG 1 74 GLN QE . . 5.180 5.268 5.188 5.331 0.151 20 0 "[ . 1 . 2]" 1
860 1 66 ILE MG 1 67 ASN H . . 3.650 2.529 1.965 3.542 . 0 0 "[ . 1 . 2]" 1
861 1 67 ASN H 1 67 ASN HB2 . . 4.060 3.713 3.578 4.020 . 0 0 "[ . 1 . 2]" 1
862 1 67 ASN H 1 67 ASN HB3 . . 4.060 2.650 2.379 3.189 . 0 0 "[ . 1 . 2]" 1
863 1 67 ASN H 1 68 GLU H . . 3.320 2.716 2.093 2.997 . 0 0 "[ . 1 . 2]" 1
864 1 67 ASN H 1 68 GLU QB . . 4.720 4.330 3.712 4.667 . 0 0 "[ . 1 . 2]" 1
865 1 67 ASN H 1 69 GLU H . . 4.370 4.127 3.405 4.399 0.029 20 0 "[ . 1 . 2]" 1
866 1 67 ASN HA 1 67 ASN QD . . 4.570 4.397 4.332 4.448 . 0 0 "[ . 1 . 2]" 1
867 1 67 ASN HA 1 70 LEU QB . . 4.160 3.440 2.600 4.093 . 0 0 "[ . 1 . 2]" 1
868 1 67 ASN HA 1 72 ILE MD . . 3.630 3.132 2.754 3.569 . 0 0 "[ . 1 . 2]" 1
869 1 67 ASN HA 1 72 ILE HG12 . . 4.050 2.839 2.486 3.607 . 0 0 "[ . 1 . 2]" 1
870 1 67 ASN HA 1 72 ILE QG . . 3.470 2.586 2.287 3.016 . 0 0 "[ . 1 . 2]" 1
871 1 67 ASN HA 1 72 ILE HG13 . . 4.050 3.049 2.460 3.535 . 0 0 "[ . 1 . 2]" 1
872 1 67 ASN QB 1 68 GLU H . . 3.690 3.620 3.543 3.745 0.055 10 0 "[ . 1 . 2]" 1
873 1 67 ASN QB 1 72 ILE H . . 4.110 3.594 3.367 3.837 . 0 0 "[ . 1 . 2]" 1
874 1 67 ASN QB 1 72 ILE QG . . 3.900 2.270 2.063 2.510 . 0 0 "[ . 1 . 2]" 1
875 1 67 ASN QB 1 74 GLN QE . . 4.720 4.674 4.264 4.887 0.167 17 0 "[ . 1 . 2]" 1
876 1 67 ASN HB2 1 68 GLU H . . 4.340 4.028 3.870 4.233 . 0 0 "[ . 1 . 2]" 1
877 1 67 ASN HB3 1 68 GLU H . . 4.340 4.104 4.050 4.175 . 0 0 "[ . 1 . 2]" 1
878 1 67 ASN QD 1 68 GLU H . . 4.400 4.298 4.032 4.440 0.040 13 0 "[ . 1 . 2]" 1
879 1 67 ASN QD 1 74 GLN HA . . 5.120 4.922 4.466 5.210 0.090 13 0 "[ . 1 . 2]" 1
880 1 67 ASN HD21 1 68 GLU H . . 5.040 5.048 4.796 5.144 0.104 18 0 "[ . 1 . 2]" 1
881 1 67 ASN HD22 1 68 GLU H . . 5.040 4.661 4.319 4.894 . 0 0 "[ . 1 . 2]" 1
882 1 68 GLU H 1 68 GLU HB2 . . 3.800 2.107 2.042 2.183 . 0 0 "[ . 1 . 2]" 1
883 1 68 GLU H 1 68 GLU QB . . 3.160 2.086 2.011 2.162 . 0 0 "[ . 1 . 2]" 1
884 1 68 GLU H 1 68 GLU HB3 . . 3.800 3.400 2.722 3.496 . 0 0 "[ . 1 . 2]" 1
885 1 68 GLU H 1 68 GLU QG . . 4.590 2.891 2.629 3.987 . 0 0 "[ . 1 . 2]" 1
886 1 68 GLU H 1 69 GLU H . . 2.760 2.779 2.652 2.825 0.065 11 0 "[ . 1 . 2]" 1
887 1 68 GLU H 1 70 LEU H . . 4.810 4.400 4.185 4.640 . 0 0 "[ . 1 . 2]" 1
888 1 68 GLU HA 1 68 GLU HB2 . . 2.870 2.956 2.634 2.992 0.122 3 0 "[ . 1 . 2]" 1
889 1 68 GLU HA 1 68 GLU HB3 . . 2.870 2.721 2.649 3.004 0.134 2 0 "[ . 1 . 2]" 1
890 1 68 GLU QB 1 69 GLU H . . 2.820 2.807 2.487 2.868 0.048 17 0 "[ . 1 . 2]" 1
891 1 68 GLU HB2 1 68 GLU QG . . 2.400 2.258 2.166 2.376 . 0 0 "[ . 1 . 2]" 1
892 1 68 GLU HB2 1 69 GLU H . . 3.310 3.065 2.878 3.572 0.262 2 0 "[ . 1 . 2]" 1
893 1 68 GLU HB3 1 68 GLU QG . . 2.400 2.389 2.155 2.418 0.018 8 0 "[ . 1 . 2]" 1
894 1 68 GLU HB3 1 69 GLU H . . 3.310 3.338 2.537 3.425 0.115 9 0 "[ . 1 . 2]" 1
895 1 69 GLU H 1 69 GLU HB2 . . 3.760 2.378 2.274 2.598 . 0 0 "[ . 1 . 2]" 1
896 1 69 GLU H 1 69 GLU HB3 . . 3.760 2.732 2.617 2.853 . 0 0 "[ . 1 . 2]" 1
897 1 69 GLU H 1 70 LEU H . . 3.570 2.719 2.590 2.881 . 0 0 "[ . 1 . 2]" 1
898 1 69 GLU H 1 70 LEU QB . . 5.340 4.863 4.421 5.201 . 0 0 "[ . 1 . 2]" 1
899 1 69 GLU H 1 70 LEU QD . . 4.280 3.687 3.401 4.189 . 0 0 "[ . 1 . 2]" 1
900 1 69 GLU H 1 70 LEU HG . . 5.130 5.129 4.728 5.221 0.091 4 0 "[ . 1 . 2]" 1
901 1 69 GLU HA 1 69 GLU QB . . 2.600 2.453 2.389 2.489 . 0 0 "[ . 1 . 2]" 1
902 1 69 GLU HA 1 69 GLU QG . . 3.310 2.729 2.199 3.005 . 0 0 "[ . 1 . 2]" 1
903 1 69 GLU HA 1 70 LEU HA . . 4.980 4.730 4.652 4.822 . 0 0 "[ . 1 . 2]" 1
904 1 69 GLU QB 1 70 LEU H . . 2.870 2.685 2.505 2.835 . 0 0 "[ . 1 . 2]" 1
905 1 69 GLU QB 1 70 LEU HA . . 4.250 4.292 4.257 4.345 0.095 4 0 "[ . 1 . 2]" 1
906 1 69 GLU QB 1 71 GLY H . . 4.900 4.633 4.464 4.770 . 0 0 "[ . 1 . 2]" 1
907 1 69 GLU QG 2 6 THR MG . . 3.170 2.335 2.029 2.694 . 0 0 "[ . 1 . 2]" 1
908 1 69 GLU QG 2 8 ARG QB . . 3.190 3.116 2.352 3.316 0.126 1 0 "[ . 1 . 2]" 1
909 1 70 LEU H 1 70 LEU QB . . 3.660 2.498 2.217 2.704 . 0 0 "[ . 1 . 2]" 1
910 1 70 LEU H 1 70 LEU MD1 . . 4.840 2.243 1.869 2.812 . 0 0 "[ . 1 . 2]" 1
911 1 70 LEU H 1 70 LEU QD . . 4.160 2.229 1.866 2.761 . 0 0 "[ . 1 . 2]" 1
912 1 70 LEU H 1 70 LEU MD2 . . 4.840 4.120 4.022 4.215 . 0 0 "[ . 1 . 2]" 1
913 1 70 LEU H 1 70 LEU HG . . 3.960 2.921 2.655 3.071 . 0 0 "[ . 1 . 2]" 1
914 1 70 LEU H 1 71 GLY H . . 2.400 2.292 2.086 2.434 0.034 17 0 "[ . 1 . 2]" 1
915 1 70 LEU H 1 72 ILE MD . . 4.620 4.629 4.466 4.686 0.066 5 0 "[ . 1 . 2]" 1
916 1 70 LEU H 1 72 ILE QG . . 4.150 3.809 3.578 4.019 . 0 0 "[ . 1 . 2]" 1
917 1 70 LEU HA 1 70 LEU QD . . 3.530 2.986 2.607 3.162 . 0 0 "[ . 1 . 2]" 1
918 1 70 LEU QB 1 70 LEU QD . . 2.850 1.878 1.844 1.897 . 0 0 "[ . 1 . 2]" 1
919 1 70 LEU QB 1 71 GLY H . . 3.170 2.760 2.572 2.970 . 0 0 "[ . 1 . 2]" 1
920 1 70 LEU QB 2 6 THR MG . . 4.340 4.077 3.903 4.380 0.040 5 0 "[ . 1 . 2]" 1
921 1 70 LEU QD 1 71 GLY H . . 3.570 3.682 3.422 4.107 0.537 17 1 "[ . 1 . + 2]" 1
922 1 70 LEU QD 2 5 GLN H . . 3.110 2.348 1.725 2.658 . 0 0 "[ . 1 . 2]" 1
923 1 70 LEU QD 2 5 GLN HA . . 4.590 3.439 3.099 4.065 . 0 0 "[ . 1 . 2]" 1
924 1 70 LEU QD 2 5 GLN QB . . 4.310 3.928 3.631 4.095 . 0 0 "[ . 1 . 2]" 1
925 1 70 LEU QD 2 6 THR H . . 2.780 2.744 1.625 3.110 0.330 7 0 "[ . 1 . 2]" 1
926 1 70 LEU QD 2 6 THR HA . . 2.960 2.372 2.063 2.639 . 0 0 "[ . 1 . 2]" 1
927 1 70 LEU QD 2 6 THR MG . . 3.030 2.232 1.989 2.983 . 0 0 "[ . 1 . 2]" 1
928 1 70 LEU MD1 2 5 GLN H . . 4.650 4.259 3.461 4.651 0.001 5 0 "[ . 1 . 2]" 1
929 1 70 LEU MD2 2 5 GLN H . . 4.650 2.360 1.730 2.674 . 0 0 "[ . 1 . 2]" 1
930 1 70 LEU HG 1 71 GLY H . . 4.590 4.640 4.609 4.694 0.104 5 0 "[ . 1 . 2]" 1
931 1 70 LEU HG 2 6 THR H . . 4.940 4.393 3.299 4.951 0.011 17 0 "[ . 1 . 2]" 1
932 1 71 GLY H 1 72 ILE H . . 2.930 2.297 2.135 2.563 . 0 0 "[ . 1 . 2]" 1
933 1 71 GLY H 1 72 ILE QG . . 3.200 3.247 3.208 3.271 0.071 3 0 "[ . 1 . 2]" 1
934 1 71 GLY QA 1 72 ILE H . . 2.970 2.694 2.570 2.785 . 0 0 "[ . 1 . 2]" 1
935 1 72 ILE H 1 72 ILE HB . . 4.020 3.821 3.732 3.877 . 0 0 "[ . 1 . 2]" 1
936 1 72 ILE H 1 72 ILE MD . . 4.340 3.919 3.818 3.999 . 0 0 "[ . 1 . 2]" 1
937 1 72 ILE H 1 72 ILE HG12 . . 4.250 2.254 2.125 2.356 . 0 0 "[ . 1 . 2]" 1
938 1 72 ILE H 1 72 ILE HG13 . . 4.250 3.057 2.843 3.308 . 0 0 "[ . 1 . 2]" 1
939 1 72 ILE H 1 73 GLY H . . 4.480 4.481 4.393 4.519 0.039 19 0 "[ . 1 . 2]" 1
940 1 72 ILE HA 1 73 GLY H . . 2.670 2.448 2.341 2.704 0.034 13 0 "[ . 1 . 2]" 1
941 1 72 ILE HB 1 72 ILE MD . . 3.660 2.412 2.368 2.495 . 0 0 "[ . 1 . 2]" 1
942 1 72 ILE HB 1 73 GLY H . . 3.150 2.222 1.986 2.289 . 0 0 "[ . 1 . 2]" 1
943 1 72 ILE HB 1 73 GLY QA . . 4.160 4.117 3.968 4.175 0.015 15 0 "[ . 1 . 2]" 1
944 1 72 ILE MD 1 72 ILE MG . . 2.400 2.132 2.100 2.157 . 0 0 "[ . 1 . 2]" 1
945 1 72 ILE MD 1 73 GLY H . . 4.020 4.021 3.581 4.085 0.065 9 0 "[ . 1 . 2]" 1
946 1 72 ILE MD 1 74 GLN QE . . 4.180 2.922 2.573 3.555 . 0 0 "[ . 1 . 2]" 1
947 1 72 ILE QG 1 72 ILE MG . . 2.620 2.407 2.336 2.476 . 0 0 "[ . 1 . 2]" 1
948 1 72 ILE QG 1 73 GLY H . . 3.450 3.356 2.743 3.492 0.042 3 0 "[ . 1 . 2]" 1
949 1 72 ILE MG 1 73 GLY H . . 3.590 3.601 3.549 3.644 0.054 18 0 "[ . 1 . 2]" 1
950 1 73 GLY H 1 74 GLN H . . 3.770 3.232 2.329 4.203 0.433 18 0 "[ . 1 . 2]" 1
951 1 73 GLY QA 1 74 GLN H . . 2.740 2.535 2.020 2.904 0.164 4 0 "[ . 1 . 2]" 1
952 1 74 GLN H 1 74 GLN QB . . 3.630 2.614 2.109 3.302 . 0 0 "[ . 1 . 2]" 1
953 1 74 GLN H 1 74 GLN QG . . 4.150 3.895 2.440 4.401 0.251 14 0 "[ . 1 . 2]" 1
954 1 74 GLN H 1 75 ASP H . . 5.200 4.461 3.785 4.721 . 0 0 "[ . 1 . 2]" 1
955 1 74 GLN HA 1 75 ASP H . . 2.960 2.431 2.067 3.330 0.370 9 0 "[ . 1 . 2]" 1
956 1 74 GLN QB 1 75 ASP H . . 3.240 2.720 1.937 3.426 0.186 4 0 "[ . 1 . 2]" 1
957 1 74 GLN HB2 1 75 ASP H . . 3.820 3.698 2.212 3.993 0.173 6 0 "[ . 1 . 2]" 1
958 1 74 GLN HB3 1 75 ASP H . . 3.820 2.963 1.949 3.860 0.040 4 0 "[ . 1 . 2]" 1
959 1 74 GLN QE 2 3 THR HA . . 3.030 3.031 2.562 3.169 0.139 5 0 "[ . 1 . 2]" 1
960 1 74 GLN HE21 2 3 THR HA . . 3.550 3.570 3.157 3.735 0.185 4 0 "[ . 1 . 2]" 1
961 1 74 GLN HE22 2 3 THR HA . . 3.550 3.311 2.610 3.622 0.072 10 0 "[ . 1 . 2]" 1
962 1 74 GLN QG 1 75 ASP H . . 3.130 2.501 1.865 3.467 0.337 17 0 "[ . 1 . 2]" 1
963 1 75 ASP H 1 75 ASP QB . . 3.550 2.584 2.081 3.427 . 0 0 "[ . 1 . 2]" 1
964 1 75 ASP H 1 76 GLU H . . 2.790 2.672 2.076 2.955 0.165 11 0 "[ . 1 . 2]" 1
965 1 75 ASP HA 1 77 ALA H . . 4.350 4.270 3.522 4.454 0.104 10 0 "[ . 1 . 2]" 1
966 1 75 ASP QB 1 76 GLU H . . 3.390 2.934 2.421 3.483 0.093 7 0 "[ . 1 . 2]" 1
967 1 75 ASP HB2 1 76 GLU H . . 3.870 3.523 2.783 4.077 0.207 10 0 "[ . 1 . 2]" 1
968 1 75 ASP HB3 1 76 GLU H . . 3.870 3.454 2.448 4.076 0.206 4 0 "[ . 1 . 2]" 1
969 1 76 GLU H 1 76 GLU QB . . 3.500 2.626 2.068 3.487 . 0 0 "[ . 1 . 2]" 1
970 1 76 GLU H 1 76 GLU QG . . 3.910 3.342 2.187 4.007 0.097 2 0 "[ . 1 . 2]" 1
971 1 76 GLU H 1 77 ALA H . . 3.660 3.158 2.561 3.760 0.100 19 0 "[ . 1 . 2]" 1
972 1 76 GLU HA 1 76 GLU QG . . 3.520 2.591 2.213 3.402 . 0 0 "[ . 1 . 2]" 1
973 1 76 GLU HB2 1 76 GLU QG . . 2.400 2.301 2.131 2.397 . 0 0 "[ . 1 . 2]" 1
974 1 76 GLU HB2 1 77 ALA H . . 3.570 3.369 2.556 3.727 0.157 12 0 "[ . 1 . 2]" 1
975 1 76 GLU HB3 1 76 GLU QG . . 2.400 2.360 2.158 2.461 0.061 13 0 "[ . 1 . 2]" 1
976 1 76 GLU HB3 1 77 ALA H . . 3.570 2.933 2.269 3.723 0.153 13 0 "[ . 1 . 2]" 1
977 1 76 GLU QG 1 77 ALA H . . 4.130 3.725 1.932 4.186 0.056 1 0 "[ . 1 . 2]" 1
978 1 77 ALA H 1 77 ALA MB . . 3.440 2.496 2.142 2.962 . 0 0 "[ . 1 . 2]" 1
979 1 77 ALA H 1 78 ASP H . . 3.330 2.601 2.011 3.465 0.135 8 0 "[ . 1 . 2]" 1
980 1 77 ALA HA 1 79 ALA H . . 3.770 3.858 3.778 3.921 0.151 14 0 "[ . 1 . 2]" 1
981 1 77 ALA MB 1 78 ASP H . . 2.400 2.413 2.030 2.500 0.100 13 0 "[ . 1 . 2]" 1
982 1 78 ASP H 1 79 ALA H . . 3.870 2.866 2.627 3.405 . 0 0 "[ . 1 . 2]" 1
983 1 78 ASP HA 1 79 ALA H . . 3.120 3.066 2.702 3.260 0.140 13 0 "[ . 1 . 2]" 1
984 1 78 ASP HB2 1 79 ALA H . . 4.610 4.406 3.811 4.623 0.013 17 0 "[ . 1 . 2]" 1
985 1 78 ASP HB3 1 79 ALA H . . 4.610 4.073 3.359 4.507 . 0 0 "[ . 1 . 2]" 1
986 2 1 ALA H1 2 2 ARG H . . 5.500 4.302 3.627 4.488 . 0 0 "[ . 1 . 2]" 1
987 2 1 ALA MB 2 2 ARG H . . 4.110 2.716 2.176 3.695 . 0 0 "[ . 1 . 2]" 1
988 2 2 ARG HE 2 3 THR HA . . 3.140 3.235 3.080 3.486 0.346 10 0 "[ . 1 . 2]" 1
989 2 5 GLN H 2 6 THR H . . 3.980 3.844 2.632 4.155 0.175 1 0 "[ . 1 . 2]" 1
990 2 5 GLN QB 2 6 THR H . . 3.900 3.604 2.957 4.045 0.145 18 0 "[ . 1 . 2]" 1
991 2 5 GLN HB2 2 6 THR H . . 4.770 3.952 3.040 4.606 . 0 0 "[ . 1 . 2]" 1
992 2 5 GLN HB3 2 6 THR H . . 4.770 4.293 3.906 4.683 . 0 0 "[ . 1 . 2]" 1
993 2 6 THR H 2 7 ALA H . . 5.090 4.087 2.658 4.600 . 0 0 "[ . 1 . 2]" 1
994 2 6 THR HA 2 8 ARG H . . 5.080 3.957 3.510 4.637 . 0 0 "[ . 1 . 2]" 1
995 2 6 THR HB 2 7 ALA H . . 3.250 3.185 2.541 3.328 0.078 18 0 "[ . 1 . 2]" 1
996 2 6 THR HG1 2 7 ALA H . . 5.500 4.272 2.157 4.849 . 0 0 "[ . 1 . 2]" 1
997 2 7 ALA H 2 8 ARG H . . 4.110 2.803 2.167 3.807 . 0 0 "[ . 1 . 2]" 1
998 2 7 ALA MB 2 8 ARG H . . 3.620 3.448 2.420 3.719 0.099 1 0 "[ . 1 . 2]" 1
999 2 8 ARG H 2 9 TYR H . . 3.800 3.785 2.628 4.279 0.479 14 0 "[ . 1 . 2]" 1
1000 2 8 ARG HA 2 9 TYR H . . 2.400 2.244 2.004 2.539 0.139 2 0 "[ . 1 . 2]" 1
1001 2 8 ARG QB 2 9 TYR H . . 4.180 3.706 1.881 4.058 . 0 0 "[ . 1 . 2]" 1
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