NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
401535 |
1vj6   |
6060 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1vj6
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 1157
_Distance_constraint_stats_list.Viol_count 5178
_Distance_constraint_stats_list.Viol_total 19648.736
_Distance_constraint_stats_list.Viol_max 0.396
_Distance_constraint_stats_list.Viol_rms 0.0466
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0139
_Distance_constraint_stats_list.Viol_average_violations_only 0.1084
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 LYS 4.207 0.327 14 0 "[ . 1 . 2 . 3 .]"
1 10 PRO 3.561 0.261 20 0 "[ . 1 . 2 . 3 .]"
1 11 GLY 0.830 0.202 28 0 "[ . 1 . 2 . 3 .]"
1 12 ASP 3.554 0.183 4 0 "[ . 1 . 2 . 3 .]"
1 13 THR 7.442 0.259 16 0 "[ . 1 . 2 . 3 .]"
1 14 PHE 25.088 0.371 22 0 "[ . 1 . 2 . 3 .]"
1 15 GLU 10.688 0.332 30 0 "[ . 1 . 2 . 3 .]"
1 16 VAL 23.499 0.320 30 0 "[ . 1 . 2 . 3 .]"
1 17 GLU 17.334 0.312 18 0 "[ . 1 . 2 . 3 .]"
1 18 LEU 27.184 0.362 31 0 "[ . 1 . 2 . 3 .]"
1 19 ALA 10.704 0.144 22 0 "[ . 1 . 2 . 3 .]"
1 20 LYS 20.310 0.387 3 0 "[ . 1 . 2 . 3 .]"
1 21 THR 1.840 0.259 13 0 "[ . 1 . 2 . 3 .]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 23 GLY 0.266 0.073 19 0 "[ . 1 . 2 . 3 .]"
1 24 SER 20.950 0.396 6 0 "[ . 1 . 2 . 3 .]"
1 25 LEU 29.002 0.396 6 0 "[ . 1 . 2 . 3 .]"
1 26 GLY 6.752 0.191 3 0 "[ . 1 . 2 . 3 .]"
1 27 ILE 22.183 0.321 6 0 "[ . 1 . 2 . 3 .]"
1 28 SER 9.706 0.242 18 0 "[ . 1 . 2 . 3 .]"
1 29 VAL 24.037 0.390 11 0 "[ . 1 . 2 . 3 .]"
1 30 THR 7.330 0.178 25 0 "[ . 1 . 2 . 3 .]"
1 31 GLY 3.853 0.178 25 0 "[ . 1 . 2 . 3 .]"
1 32 GLY 0.410 0.191 17 0 "[ . 1 . 2 . 3 .]"
1 33 VAL 6.491 0.233 7 0 "[ . 1 . 2 . 3 .]"
1 34 ASN 10.987 0.310 21 0 "[ . 1 . 2 . 3 .]"
1 35 THR 1.018 0.142 8 0 "[ . 1 . 2 . 3 .]"
1 36 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 37 VAL 14.274 0.289 29 0 "[ . 1 . 2 . 3 .]"
1 38 ARG 0.230 0.118 30 0 "[ . 1 . 2 . 3 .]"
1 39 HIS 2.451 0.193 4 0 "[ . 1 . 2 . 3 .]"
1 40 GLY 7.209 0.376 7 0 "[ . 1 . 2 . 3 .]"
1 41 GLY 3.826 0.376 7 0 "[ . 1 . 2 . 3 .]"
1 42 ILE 38.081 0.374 32 0 "[ . 1 . 2 . 3 .]"
1 43 TYR 16.522 0.382 3 0 "[ . 1 . 2 . 3 .]"
1 44 VAL 23.520 0.367 9 0 "[ . 1 . 2 . 3 .]"
1 45 LYS 0.288 0.117 8 0 "[ . 1 . 2 . 3 .]"
1 46 ALA 5.093 0.227 34 0 "[ . 1 . 2 . 3 .]"
1 47 ILE 32.261 0.369 13 0 "[ . 1 . 2 . 3 .]"
1 48 ILE 37.785 0.369 13 0 "[ . 1 . 2 . 3 .]"
1 49 PRO 6.322 0.268 26 0 "[ . 1 . 2 . 3 .]"
1 50 LYS 6.136 0.248 7 0 "[ . 1 . 2 . 3 .]"
1 51 GLY 6.438 0.348 1 0 "[ . 1 . 2 . 3 .]"
1 52 ALA 10.723 0.348 1 0 "[ . 1 . 2 . 3 .]"
1 53 ALA 7.796 0.169 15 0 "[ . 1 . 2 . 3 .]"
1 54 GLU 9.535 0.348 11 0 "[ . 1 . 2 . 3 .]"
1 55 SER 14.527 0.330 35 0 "[ . 1 . 2 . 3 .]"
1 56 ASP 20.460 0.371 22 0 "[ . 1 . 2 . 3 .]"
1 57 GLY 10.172 0.391 22 0 "[ . 1 . 2 . 3 .]"
1 58 ARG 4.046 0.308 16 0 "[ . 1 . 2 . 3 .]"
1 59 ILE 7.627 0.215 31 0 "[ . 1 . 2 . 3 .]"
1 60 HIS 4.499 0.212 25 0 "[ . 1 . 2 . 3 .]"
1 61 LYS 4.059 0.227 34 0 "[ . 1 . 2 . 3 .]"
1 62 GLY 0.053 0.038 34 0 "[ . 1 . 2 . 3 .]"
1 63 ASP 7.748 0.238 8 0 "[ . 1 . 2 . 3 .]"
1 64 ARG 4.569 0.155 24 0 "[ . 1 . 2 . 3 .]"
1 65 VAL 29.909 0.382 3 0 "[ . 1 . 2 . 3 .]"
1 66 LEU 12.391 0.328 17 0 "[ . 1 . 2 . 3 .]"
1 67 ALA 2.965 0.240 14 0 "[ . 1 . 2 . 3 .]"
1 68 VAL 18.765 0.376 19 0 "[ . 1 . 2 . 3 .]"
1 69 ASN 10.155 0.326 29 0 "[ . 1 . 2 . 3 .]"
1 70 GLY 2.590 0.210 16 0 "[ . 1 . 2 . 3 .]"
1 71 VAL 11.891 0.318 33 0 "[ . 1 . 2 . 3 .]"
1 72 SER 6.623 0.268 1 0 "[ . 1 . 2 . 3 .]"
1 73 LEU 10.600 0.390 11 0 "[ . 1 . 2 . 3 .]"
1 74 GLU 0.514 0.221 2 0 "[ . 1 . 2 . 3 .]"
1 75 GLY 0.283 0.221 2 0 "[ . 1 . 2 . 3 .]"
1 76 ALA 13.511 0.379 32 0 "[ . 1 . 2 . 3 .]"
1 77 THR 23.173 0.289 29 0 "[ . 1 . 2 . 3 .]"
1 78 HIS 4.344 0.196 21 0 "[ . 1 . 2 . 3 .]"
1 79 LYS 2.335 0.171 23 0 "[ . 1 . 2 . 3 .]"
1 80 GLN 10.630 0.360 30 0 "[ . 1 . 2 . 3 .]"
1 81 ALA 10.938 0.261 6 0 "[ . 1 . 2 . 3 .]"
1 82 VAL 12.724 0.390 19 0 "[ . 1 . 2 . 3 .]"
1 83 GLU 3.779 0.356 33 0 "[ . 1 . 2 . 3 .]"
1 84 THR 16.575 0.379 32 0 "[ . 1 . 2 . 3 .]"
1 85 LEU 12.651 0.195 24 0 "[ . 1 . 2 . 3 .]"
1 86 ARG 28.105 0.390 19 0 "[ . 1 . 2 . 3 .]"
1 87 ASN 2.800 0.253 33 0 "[ . 1 . 2 . 3 .]"
1 88 THR 14.370 0.334 11 0 "[ . 1 . 2 . 3 .]"
1 89 GLY 0.014 0.014 11 0 "[ . 1 . 2 . 3 .]"
1 90 GLN 5.267 0.208 29 0 "[ . 1 . 2 . 3 .]"
1 91 VAL 20.144 0.326 29 0 "[ . 1 . 2 . 3 .]"
1 92 VAL 5.895 0.311 17 0 "[ . 1 . 2 . 3 .]"
1 93 HIS 14.224 0.241 9 0 "[ . 1 . 2 . 3 .]"
1 94 LEU 22.362 0.362 31 0 "[ . 1 . 2 . 3 .]"
1 95 LEU 43.847 0.328 17 0 "[ . 1 . 2 . 3 .]"
1 96 LEU 16.836 0.391 22 0 "[ . 1 . 2 . 3 .]"
1 97 GLU 6.946 0.231 25 0 "[ . 1 . 2 . 3 .]"
1 98 LYS 7.899 0.233 28 0 "[ . 1 . 2 . 3 .]"
1 99 GLY 0.827 0.168 14 0 "[ . 1 . 2 . 3 .]"
1 100 GLN 5.830 0.327 14 0 "[ . 1 . 2 . 3 .]"
1 101 VAL 3.149 0.137 15 0 "[ . 1 . 2 . 3 .]"
1 102 PRO 2.114 0.261 20 0 "[ . 1 . 2 . 3 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 LYS H 1 9 LYS QB 3.500 . 3.500 2.506 2.211 2.847 . 0 0 "[ . 1 . 2 . 3 .]" 1
2 1 9 LYS H 1 9 LYS QE 5.000 . 5.000 4.512 3.300 5.160 0.160 27 0 "[ . 1 . 2 . 3 .]" 1
3 1 9 LYS H 1 9 LYS QG 3.500 . 3.500 3.093 2.208 3.583 0.083 23 0 "[ . 1 . 2 . 3 .]" 1
4 1 9 LYS H 1 12 ASP QB 3.500 . 3.500 3.361 2.560 3.668 0.168 16 0 "[ . 1 . 2 . 3 .]" 1
5 1 9 LYS H 1 100 GLN QB 5.000 . 5.000 4.938 4.294 5.327 0.327 14 0 "[ . 1 . 2 . 3 .]" 1
6 1 9 LYS HA 1 9 LYS QB 2.800 . 2.800 2.422 2.280 2.516 . 0 0 "[ . 1 . 2 . 3 .]" 1
7 1 9 LYS HA 1 9 LYS QD 5.000 . 5.000 3.630 2.031 4.264 . 0 0 "[ . 1 . 2 . 3 .]" 1
8 1 9 LYS HA 1 9 LYS QG 2.800 . 2.800 2.499 2.241 2.902 0.102 34 0 "[ . 1 . 2 . 3 .]" 1
9 1 9 LYS HA 1 10 PRO QD 3.500 . 3.500 2.116 1.961 2.566 . 0 0 "[ . 1 . 2 . 3 .]" 1
10 1 9 LYS HA 1 10 PRO QG 5.000 . 5.000 4.057 3.762 4.422 . 0 0 "[ . 1 . 2 . 3 .]" 1
11 1 9 LYS QB 1 10 PRO QD 3.500 . 3.500 2.580 2.039 3.528 0.028 28 0 "[ . 1 . 2 . 3 .]" 1
12 1 9 LYS QE 1 9 LYS QG 3.500 . 3.500 2.411 2.148 2.891 . 0 0 "[ . 1 . 2 . 3 .]" 1
13 1 9 LYS QG 1 10 PRO QD 5.000 . 5.000 3.583 2.877 4.055 . 0 0 "[ . 1 . 2 . 3 .]" 1
14 1 10 PRO HA 1 11 GLY H 2.800 . 2.800 2.207 2.090 2.460 . 0 0 "[ . 1 . 2 . 3 .]" 1
15 1 10 PRO HA 1 12 ASP H 5.000 . 5.000 3.833 3.021 4.845 . 0 0 "[ . 1 . 2 . 3 .]" 1
16 1 10 PRO HA 1 98 LYS QB 5.000 . 5.000 4.074 3.198 5.160 0.160 7 0 "[ . 1 . 2 . 3 .]" 1
17 1 10 PRO HA 1 98 LYS QG 5.000 . 5.000 3.937 2.072 5.074 0.074 25 0 "[ . 1 . 2 . 3 .]" 1
18 1 10 PRO HA 1 102 PRO HA 5.000 . 5.000 4.923 4.278 5.261 0.261 20 0 "[ . 1 . 2 . 3 .]" 1
19 1 10 PRO QB 1 10 PRO QD 3.500 . 3.500 2.690 2.603 2.842 . 0 0 "[ . 1 . 2 . 3 .]" 1
20 1 10 PRO QB 1 11 GLY H 3.500 . 3.500 3.265 2.564 3.702 0.202 28 0 "[ . 1 . 2 . 3 .]" 1
21 1 10 PRO QB 1 100 GLN HA 7.000 . 7.000 6.192 3.974 7.093 0.093 15 0 "[ . 1 . 2 . 3 .]" 1
22 1 10 PRO QG 1 102 PRO QG 3.500 . 3.500 2.972 2.068 3.693 0.193 10 0 "[ . 1 . 2 . 3 .]" 1
23 1 11 GLY H 1 12 ASP H 3.500 . 3.500 2.693 2.157 3.128 . 0 0 "[ . 1 . 2 . 3 .]" 1
24 1 11 GLY H 1 98 LYS H 7.000 . 7.000 4.873 4.059 6.548 . 0 0 "[ . 1 . 2 . 3 .]" 1
25 1 11 GLY H 1 98 LYS QG 5.000 . 5.000 3.904 1.882 5.064 0.064 11 0 "[ . 1 . 2 . 3 .]" 1
26 1 11 GLY QA 1 12 ASP H 5.000 . 5.000 2.792 2.360 3.012 . 0 0 "[ . 1 . 2 . 3 .]" 1
27 1 12 ASP H 1 12 ASP QB 3.500 . 3.500 2.244 2.024 2.913 . 0 0 "[ . 1 . 2 . 3 .]" 1
28 1 12 ASP H 1 98 LYS H 5.000 . 5.000 3.564 2.803 4.656 . 0 0 "[ . 1 . 2 . 3 .]" 1
29 1 12 ASP H 1 98 LYS QB 3.500 . 3.500 2.605 1.866 3.621 0.121 28 0 "[ . 1 . 2 . 3 .]" 1
30 1 12 ASP H 1 98 LYS QG 3.500 . 3.500 3.420 1.859 3.683 0.183 4 0 "[ . 1 . 2 . 3 .]" 1
31 1 12 ASP HA 1 13 THR H 3.500 . 3.500 2.309 2.112 3.226 . 0 0 "[ . 1 . 2 . 3 .]" 1
32 1 12 ASP QB 1 13 THR H 5.000 . 5.000 3.890 2.757 4.130 . 0 0 "[ . 1 . 2 . 3 .]" 1
33 1 13 THR H 1 13 THR MG 3.500 . 3.500 2.870 2.372 3.608 0.108 22 0 "[ . 1 . 2 . 3 .]" 1
34 1 13 THR H 1 95 LEU QD 5.000 . 5.000 5.125 5.005 5.259 0.259 16 0 "[ . 1 . 2 . 3 .]" 1
35 1 13 THR HA 1 13 THR HB 2.800 . 2.800 2.559 2.440 2.652 . 0 0 "[ . 1 . 2 . 3 .]" 1
36 1 13 THR HA 1 13 THR MG 3.500 . 3.500 2.176 2.074 2.279 . 0 0 "[ . 1 . 2 . 3 .]" 1
37 1 13 THR HA 1 14 PHE H 2.800 . 2.800 2.150 2.039 2.281 . 0 0 "[ . 1 . 2 . 3 .]" 1
38 1 13 THR HA 1 14 PHE QD 5.000 . 5.000 3.062 2.722 3.630 . 0 0 "[ . 1 . 2 . 3 .]" 1
39 1 13 THR HA 1 66 LEU QD 7.000 . 7.000 3.895 3.543 4.271 . 0 0 "[ . 1 . 2 . 3 .]" 1
40 1 13 THR HA 1 95 LEU QD 7.000 . 7.000 3.771 3.075 4.074 . 0 0 "[ . 1 . 2 . 3 .]" 1
41 1 13 THR HA 1 96 LEU H 7.000 . 7.000 4.709 4.434 4.919 . 0 0 "[ . 1 . 2 . 3 .]" 1
42 1 13 THR HA 1 97 GLU HA 3.500 . 3.500 2.474 2.109 3.054 . 0 0 "[ . 1 . 2 . 3 .]" 1
43 1 13 THR HA 1 97 GLU QB 5.000 . 5.000 3.961 3.361 4.763 . 0 0 "[ . 1 . 2 . 3 .]" 1
44 1 13 THR HA 1 98 LYS H 5.000 . 5.000 3.755 3.054 4.850 . 0 0 "[ . 1 . 2 . 3 .]" 1
45 1 13 THR HB 1 14 PHE H 3.500 . 3.500 2.991 2.480 3.505 0.005 22 0 "[ . 1 . 2 . 3 .]" 1
46 1 13 THR HB 1 66 LEU QD 5.000 . 5.000 3.669 3.334 4.461 . 0 0 "[ . 1 . 2 . 3 .]" 1
47 1 13 THR HB 1 95 LEU HA 7.000 . 7.000 4.819 4.466 5.573 . 0 0 "[ . 1 . 2 . 3 .]" 1
48 1 13 THR HB 1 95 LEU QD 3.500 . 3.500 2.350 2.191 2.722 . 0 0 "[ . 1 . 2 . 3 .]" 1
49 1 13 THR MG 1 14 PHE H 3.500 . 3.500 3.473 3.348 3.598 0.098 17 0 "[ . 1 . 2 . 3 .]" 1
50 1 13 THR MG 1 66 LEU QD 2.800 . 2.800 2.212 2.009 2.664 . 0 0 "[ . 1 . 2 . 3 .]" 1
51 1 13 THR MG 1 95 LEU HA 5.000 . 5.000 5.035 4.632 5.113 0.113 28 0 "[ . 1 . 2 . 3 .]" 1
52 1 13 THR MG 1 95 LEU QD 5.000 . 5.000 2.506 2.144 2.666 . 0 0 "[ . 1 . 2 . 3 .]" 1
53 1 13 THR MG 1 97 GLU HA 3.500 . 3.500 2.720 1.994 3.585 0.085 22 0 "[ . 1 . 2 . 3 .]" 1
54 1 13 THR MG 1 97 GLU QB 3.500 . 3.500 2.626 2.067 3.585 0.085 24 0 "[ . 1 . 2 . 3 .]" 1
55 1 14 PHE H 1 14 PHE QD 5.000 . 5.000 2.432 2.064 2.903 . 0 0 "[ . 1 . 2 . 3 .]" 1
56 1 14 PHE H 1 14 PHE QE 5.000 . 5.000 4.094 3.850 4.958 . 0 0 "[ . 1 . 2 . 3 .]" 1
57 1 14 PHE H 1 15 GLU H 7.000 . 7.000 4.207 4.041 4.422 . 0 0 "[ . 1 . 2 . 3 .]" 1
58 1 14 PHE H 1 95 LEU QD 5.000 . 5.000 3.345 2.820 4.286 . 0 0 "[ . 1 . 2 . 3 .]" 1
59 1 14 PHE H 1 96 LEU H 3.500 . 3.500 3.154 2.730 3.468 . 0 0 "[ . 1 . 2 . 3 .]" 1
60 1 14 PHE H 1 96 LEU HA 7.000 . 7.000 4.769 4.530 5.106 . 0 0 "[ . 1 . 2 . 3 .]" 1
61 1 14 PHE H 1 96 LEU QB 7.000 . 7.000 3.151 2.911 3.587 . 0 0 "[ . 1 . 2 . 3 .]" 1
62 1 14 PHE HA 1 14 PHE QB 2.800 . 2.800 2.121 2.076 2.356 . 0 0 "[ . 1 . 2 . 3 .]" 1
63 1 14 PHE HA 1 14 PHE QD 3.500 . 3.500 3.562 2.951 3.640 0.140 8 0 "[ . 1 . 2 . 3 .]" 1
64 1 14 PHE HA 1 15 GLU H 2.800 . 2.800 2.148 2.084 2.306 . 0 0 "[ . 1 . 2 . 3 .]" 1
65 1 14 PHE QB 1 15 GLU H 3.500 . 3.500 3.172 2.695 3.452 . 0 0 "[ . 1 . 2 . 3 .]" 1
66 1 14 PHE QB 1 16 VAL H 3.500 . 3.500 3.682 2.800 3.759 0.259 18 0 "[ . 1 . 2 . 3 .]" 1
67 1 14 PHE QD 1 15 GLU H 7.000 . 7.000 4.921 4.588 5.083 . 0 0 "[ . 1 . 2 . 3 .]" 1
68 1 14 PHE QD 1 16 VAL QG 3.500 . 3.500 1.928 1.875 2.006 . 0 0 "[ . 1 . 2 . 3 .]" 1
69 1 14 PHE QD 1 56 ASP H 7.000 . 7.000 7.257 7.142 7.371 0.371 22 0 "[ . 1 . 2 . 3 .]" 1
70 1 14 PHE QD 1 58 ARG HE 5.000 . 5.000 3.796 2.575 5.040 0.040 3 0 "[ . 1 . 2 . 3 .]" 1
71 1 14 PHE QE 1 16 VAL H 7.000 . 7.000 5.769 5.466 6.349 . 0 0 "[ . 1 . 2 . 3 .]" 1
72 1 14 PHE QE 1 16 VAL QG 2.800 . 2.800 2.964 2.813 3.081 0.281 25 0 "[ . 1 . 2 . 3 .]" 1
73 1 14 PHE QE 1 59 ILE MD 5.000 . 5.000 3.576 3.237 3.979 . 0 0 "[ . 1 . 2 . 3 .]" 1
74 1 14 PHE QE 1 96 LEU QB 7.000 . 7.000 2.896 2.629 4.101 . 0 0 "[ . 1 . 2 . 3 .]" 1
75 1 14 PHE QE 1 96 LEU QD 3.500 . 3.500 2.303 2.108 3.158 . 0 0 "[ . 1 . 2 . 3 .]" 1
76 1 14 PHE QE 1 98 LYS H 5.000 . 5.000 3.263 2.646 4.760 . 0 0 "[ . 1 . 2 . 3 .]" 1
77 1 14 PHE QE 1 98 LYS QB 7.000 . 7.000 3.143 2.121 4.363 . 0 0 "[ . 1 . 2 . 3 .]" 1
78 1 14 PHE QE 1 98 LYS QD 7.000 . 7.000 3.511 2.155 5.824 . 0 0 "[ . 1 . 2 . 3 .]" 1
79 1 15 GLU H 1 15 GLU HA 2.800 . 2.800 2.888 2.839 2.929 0.129 25 0 "[ . 1 . 2 . 3 .]" 1
80 1 15 GLU H 1 15 GLU QB 2.800 . 2.800 2.509 2.105 2.852 0.052 1 0 "[ . 1 . 2 . 3 .]" 1
81 1 15 GLU H 1 15 GLU QG 3.500 . 3.500 2.791 2.232 3.832 0.332 30 0 "[ . 1 . 2 . 3 .]" 1
82 1 15 GLU H 1 95 LEU QD 5.000 . 5.000 4.143 3.773 4.991 . 0 0 "[ . 1 . 2 . 3 .]" 1
83 1 15 GLU H 1 96 LEU H 7.000 . 7.000 5.004 4.810 5.353 . 0 0 "[ . 1 . 2 . 3 .]" 1
84 1 15 GLU HA 1 15 GLU QB 2.800 . 2.800 2.327 2.133 2.527 . 0 0 "[ . 1 . 2 . 3 .]" 1
85 1 15 GLU HA 1 15 GLU QG 3.500 . 3.500 2.502 1.996 2.922 . 0 0 "[ . 1 . 2 . 3 .]" 1
86 1 15 GLU HA 1 16 VAL H 2.800 . 2.800 2.272 2.130 2.522 . 0 0 "[ . 1 . 2 . 3 .]" 1
87 1 15 GLU HA 1 16 VAL QG 5.000 . 5.000 3.705 3.491 4.293 . 0 0 "[ . 1 . 2 . 3 .]" 1
88 1 15 GLU HA 1 95 LEU HA 3.500 . 3.500 2.508 2.227 2.828 . 0 0 "[ . 1 . 2 . 3 .]" 1
89 1 15 GLU HA 1 95 LEU QD 3.500 . 3.500 3.196 2.941 3.591 0.091 16 0 "[ . 1 . 2 . 3 .]" 1
90 1 15 GLU HA 1 96 LEU QD 5.000 . 5.000 4.471 4.021 5.077 0.077 17 0 "[ . 1 . 2 . 3 .]" 1
91 1 15 GLU QB 1 16 VAL H 5.000 . 5.000 3.866 3.665 4.071 . 0 0 "[ . 1 . 2 . 3 .]" 1
92 1 15 GLU QB 1 95 LEU HA 5.000 . 5.000 3.992 3.398 4.489 . 0 0 "[ . 1 . 2 . 3 .]" 1
93 1 15 GLU QB 1 95 LEU QD 3.500 . 3.500 3.608 3.093 3.798 0.298 25 0 "[ . 1 . 2 . 3 .]" 1
94 1 15 GLU QG 1 16 VAL H 5.000 . 5.000 4.381 3.513 4.789 . 0 0 "[ . 1 . 2 . 3 .]" 1
95 1 15 GLU QG 1 95 LEU HA 5.000 . 5.000 3.192 2.277 3.888 . 0 0 "[ . 1 . 2 . 3 .]" 1
96 1 15 GLU QG 1 95 LEU QD 2.800 . 2.800 2.353 1.934 2.993 0.193 2 0 "[ . 1 . 2 . 3 .]" 1
97 1 15 GLU QG 1 96 LEU H 5.000 . 5.000 4.469 4.076 5.000 . 0 0 "[ . 1 . 2 . 3 .]" 1
98 1 16 VAL H 1 16 VAL HB 3.500 . 3.500 2.344 1.962 2.814 . 0 0 "[ . 1 . 2 . 3 .]" 1
99 1 16 VAL H 1 16 VAL QG 3.500 . 3.500 2.060 1.752 2.951 . 0 0 "[ . 1 . 2 . 3 .]" 1
100 1 16 VAL H 1 17 GLU H 5.000 . 5.000 4.600 4.348 4.727 . 0 0 "[ . 1 . 2 . 3 .]" 1
101 1 16 VAL H 1 94 LEU H 3.500 . 3.500 3.609 3.512 3.703 0.203 6 0 "[ . 1 . 2 . 3 .]" 1
102 1 16 VAL H 1 94 LEU QB 5.000 . 5.000 3.390 3.152 3.629 . 0 0 "[ . 1 . 2 . 3 .]" 1
103 1 16 VAL H 1 96 LEU QD 5.000 . 5.000 3.135 2.659 3.650 . 0 0 "[ . 1 . 2 . 3 .]" 1
104 1 16 VAL HA 1 16 VAL QG 2.800 . 2.800 2.134 2.058 2.181 . 0 0 "[ . 1 . 2 . 3 .]" 1
105 1 16 VAL HA 1 17 GLU H 2.800 . 2.800 2.347 2.213 2.495 . 0 0 "[ . 1 . 2 . 3 .]" 1
106 1 16 VAL HA 1 96 LEU QD 5.000 . 5.000 4.695 4.335 5.002 0.002 20 0 "[ . 1 . 2 . 3 .]" 1
107 1 16 VAL HB 1 17 GLU H 5.000 . 5.000 4.233 3.845 4.670 . 0 0 "[ . 1 . 2 . 3 .]" 1
108 1 16 VAL HB 1 96 LEU QD 2.800 . 2.800 2.590 2.110 2.970 0.170 20 0 "[ . 1 . 2 . 3 .]" 1
109 1 16 VAL QG 1 17 GLU H 3.500 . 3.500 2.678 2.169 3.143 . 0 0 "[ . 1 . 2 . 3 .]" 1
110 1 16 VAL QG 1 17 GLU HA 5.000 . 5.000 3.597 3.237 3.942 . 0 0 "[ . 1 . 2 . 3 .]" 1
111 1 16 VAL QG 1 58 ARG H 7.000 . 7.000 4.073 2.854 4.397 . 0 0 "[ . 1 . 2 . 3 .]" 1
112 1 16 VAL QG 1 58 ARG QB 3.500 . 3.500 3.500 3.169 3.808 0.308 16 0 "[ . 1 . 2 . 3 .]" 1
113 1 16 VAL QG 1 58 ARG QD 5.000 . 5.000 3.760 2.535 5.133 0.133 23 0 "[ . 1 . 2 . 3 .]" 1
114 1 16 VAL QG 1 58 ARG HE 5.000 . 5.000 4.012 2.882 5.060 0.060 16 0 "[ . 1 . 2 . 3 .]" 1
115 1 16 VAL QG 1 94 LEU H 3.500 . 3.500 3.583 3.217 3.820 0.320 30 0 "[ . 1 . 2 . 3 .]" 1
116 1 16 VAL QG 1 96 LEU QD 2.800 . 2.800 2.072 1.908 2.626 . 0 0 "[ . 1 . 2 . 3 .]" 1
117 1 17 GLU H 1 17 GLU QB 2.800 . 2.800 2.702 2.210 3.112 0.312 18 0 "[ . 1 . 2 . 3 .]" 1
118 1 17 GLU H 1 17 GLU QG 5.000 . 5.000 3.276 2.519 4.170 . 0 0 "[ . 1 . 2 . 3 .]" 1
119 1 17 GLU H 1 18 LEU H 5.000 . 5.000 4.267 4.092 4.426 . 0 0 "[ . 1 . 2 . 3 .]" 1
120 1 17 GLU H 1 18 LEU QD 3.500 . 3.500 3.670 3.581 3.801 0.301 18 0 "[ . 1 . 2 . 3 .]" 1
121 1 17 GLU H 1 93 HIS H 7.000 . 7.000 7.087 6.795 7.206 0.206 26 0 "[ . 1 . 2 . 3 .]" 1
122 1 17 GLU H 1 93 HIS HD2 5.000 . 5.000 4.718 3.490 5.241 0.241 9 0 "[ . 1 . 2 . 3 .]" 1
123 1 17 GLU HA 1 17 GLU QB 2.800 . 2.800 2.081 2.003 2.146 . 0 0 "[ . 1 . 2 . 3 .]" 1
124 1 17 GLU HA 1 17 GLU QG 3.500 . 3.500 3.272 2.852 3.575 0.075 23 0 "[ . 1 . 2 . 3 .]" 1
125 1 17 GLU HA 1 18 LEU H 2.800 . 2.800 2.063 1.988 2.164 . 0 0 "[ . 1 . 2 . 3 .]" 1
126 1 17 GLU HA 1 18 LEU QB 7.000 . 7.000 4.312 4.142 4.677 . 0 0 "[ . 1 . 2 . 3 .]" 1
127 1 17 GLU QB 1 18 LEU H 5.000 . 5.000 3.345 2.941 3.770 . 0 0 "[ . 1 . 2 . 3 .]" 1
128 1 17 GLU QB 1 91 VAL QG 2.800 . 2.800 2.568 1.934 3.050 0.250 2 0 "[ . 1 . 2 . 3 .]" 1
129 1 17 GLU QB 1 93 HIS HA 2.800 . 2.800 2.794 2.210 2.936 0.136 21 0 "[ . 1 . 2 . 3 .]" 1
130 1 17 GLU QB 1 93 HIS QB 5.000 . 5.000 3.387 2.511 3.826 . 0 0 "[ . 1 . 2 . 3 .]" 1
131 1 17 GLU QG 1 18 LEU H 5.000 . 5.000 3.786 2.896 4.860 . 0 0 "[ . 1 . 2 . 3 .]" 1
132 1 17 GLU QG 1 91 VAL QG 2.800 . 2.800 2.738 1.950 3.071 0.271 18 0 "[ . 1 . 2 . 3 .]" 1
133 1 17 GLU QG 1 93 HIS HD2 5.000 . 5.000 4.169 3.083 5.065 0.065 2 0 "[ . 1 . 2 . 3 .]" 1
134 1 18 LEU H 1 18 LEU QB 3.500 . 3.500 2.696 2.446 3.328 . 0 0 "[ . 1 . 2 . 3 .]" 1
135 1 18 LEU H 1 18 LEU QD 3.500 . 3.500 3.145 2.082 3.471 . 0 0 "[ . 1 . 2 . 3 .]" 1
136 1 18 LEU H 1 18 LEU HG 5.000 . 5.000 2.708 2.471 3.347 . 0 0 "[ . 1 . 2 . 3 .]" 1
137 1 18 LEU H 1 19 ALA H 5.000 . 5.000 4.421 4.291 4.495 . 0 0 "[ . 1 . 2 . 3 .]" 1
138 1 18 LEU H 1 25 LEU QD 7.000 . 7.000 4.412 3.881 5.336 . 0 0 "[ . 1 . 2 . 3 .]" 1
139 1 18 LEU H 1 92 VAL H 3.500 . 3.500 2.979 2.797 3.200 . 0 0 "[ . 1 . 2 . 3 .]" 1
140 1 18 LEU HA 1 18 LEU QB 2.800 . 2.800 2.337 2.171 2.402 . 0 0 "[ . 1 . 2 . 3 .]" 1
141 1 18 LEU HA 1 18 LEU QD 3.500 . 3.500 2.562 2.197 3.460 . 0 0 "[ . 1 . 2 . 3 .]" 1
142 1 18 LEU HA 1 19 ALA H 2.800 . 2.800 2.375 2.093 2.673 . 0 0 "[ . 1 . 2 . 3 .]" 1
143 1 18 LEU QB 1 18 LEU QD 2.800 . 2.800 1.926 1.873 1.992 . 0 0 "[ . 1 . 2 . 3 .]" 1
144 1 18 LEU QB 1 19 ALA H 5.000 . 5.000 2.488 2.150 3.169 . 0 0 "[ . 1 . 2 . 3 .]" 1
145 1 18 LEU QB 1 52 ALA MB 7.000 . 7.000 2.656 2.099 3.908 . 0 0 "[ . 1 . 2 . 3 .]" 1
146 1 18 LEU QB 1 92 VAL HB 5.000 . 5.000 3.547 2.540 5.161 0.161 29 0 "[ . 1 . 2 . 3 .]" 1
147 1 18 LEU QD 1 19 ALA H 3.500 . 3.500 3.539 3.344 3.633 0.133 8 0 "[ . 1 . 2 . 3 .]" 1
148 1 18 LEU QD 1 20 LYS H 5.000 . 5.000 5.036 4.025 5.198 0.198 19 0 "[ . 1 . 2 . 3 .]" 1
149 1 18 LEU QD 1 25 LEU HA 3.500 . 3.500 3.493 3.303 3.625 0.125 5 0 "[ . 1 . 2 . 3 .]" 1
150 1 18 LEU QD 1 52 ALA MB 2.800 . 2.800 2.469 2.083 2.832 0.032 13 0 "[ . 1 . 2 . 3 .]" 1
151 1 18 LEU QD 1 53 ALA H 3.500 . 3.500 3.176 2.974 3.432 . 0 0 "[ . 1 . 2 . 3 .]" 1
152 1 18 LEU QD 1 53 ALA HA 2.800 . 2.800 2.083 1.948 2.430 . 0 0 "[ . 1 . 2 . 3 .]" 1
153 1 18 LEU QD 1 53 ALA MB 2.800 . 2.800 2.574 2.103 2.892 0.092 5 0 "[ . 1 . 2 . 3 .]" 1
154 1 18 LEU QD 1 56 ASP H 5.000 . 5.000 3.392 2.906 3.895 . 0 0 "[ . 1 . 2 . 3 .]" 1
155 1 18 LEU QD 1 56 ASP HA 3.500 . 3.500 3.684 3.551 3.844 0.344 29 0 "[ . 1 . 2 . 3 .]" 1
156 1 18 LEU QD 1 56 ASP QB 2.800 . 2.800 2.276 1.864 3.133 0.333 29 0 "[ . 1 . 2 . 3 .]" 1
157 1 18 LEU QD 1 57 GLY H 5.000 . 5.000 4.874 3.824 5.165 0.165 29 0 "[ . 1 . 2 . 3 .]" 1
158 1 18 LEU QD 1 94 LEU HA 5.000 . 5.000 5.149 5.038 5.362 0.362 31 0 "[ . 1 . 2 . 3 .]" 1
159 1 18 LEU HG 1 19 ALA H 5.000 . 5.000 4.773 3.472 5.113 0.113 18 0 "[ . 1 . 2 . 3 .]" 1
160 1 18 LEU HG 1 25 LEU QD 7.000 . 7.000 3.795 2.670 5.034 . 0 0 "[ . 1 . 2 . 3 .]" 1
161 1 19 ALA H 1 19 ALA HA 2.800 . 2.800 2.925 2.889 2.944 0.144 22 0 "[ . 1 . 2 . 3 .]" 1
162 1 19 ALA H 1 19 ALA MB 2.800 . 2.800 2.464 2.305 2.631 . 0 0 "[ . 1 . 2 . 3 .]" 1
163 1 19 ALA H 1 52 ALA MB 7.000 . 7.000 3.489 2.722 4.840 . 0 0 "[ . 1 . 2 . 3 .]" 1
164 1 19 ALA HA 1 20 LYS H 2.800 . 2.800 2.178 2.088 2.828 0.028 8 0 "[ . 1 . 2 . 3 .]" 1
165 1 19 ALA HA 1 20 LYS QB 7.000 . 7.000 4.592 4.134 4.832 . 0 0 "[ . 1 . 2 . 3 .]" 1
166 1 19 ALA HA 1 21 THR H 7.000 . 7.000 6.229 5.965 6.809 . 0 0 "[ . 1 . 2 . 3 .]" 1
167 1 19 ALA HA 1 91 VAL HA 3.500 . 3.500 2.753 2.486 2.932 . 0 0 "[ . 1 . 2 . 3 .]" 1
168 1 19 ALA HA 1 91 VAL QG 3.500 . 3.500 3.482 3.206 3.590 0.090 4 0 "[ . 1 . 2 . 3 .]" 1
169 1 19 ALA HA 1 92 VAL H 3.500 . 3.500 3.305 2.778 3.581 0.081 17 0 "[ . 1 . 2 . 3 .]" 1
170 1 19 ALA MB 1 90 GLN QE 5.000 . 5.000 3.526 2.258 4.888 . 0 0 "[ . 1 . 2 . 3 .]" 1
171 1 19 ALA MB 1 90 GLN QG 3.500 . 3.500 2.391 2.115 3.182 . 0 0 "[ . 1 . 2 . 3 .]" 1
172 1 19 ALA MB 1 91 VAL HA 3.500 . 3.500 3.429 2.946 3.565 0.065 23 0 "[ . 1 . 2 . 3 .]" 1
173 1 19 ALA MB 1 91 VAL QG 2.800 . 2.800 2.862 2.794 2.938 0.138 2 0 "[ . 1 . 2 . 3 .]" 1
174 1 19 ALA MB 1 92 VAL H 5.000 . 5.000 4.500 4.089 4.720 . 0 0 "[ . 1 . 2 . 3 .]" 1
175 1 20 LYS H 1 20 LYS QB 3.500 . 3.500 2.740 2.276 3.391 . 0 0 "[ . 1 . 2 . 3 .]" 1
176 1 20 LYS H 1 20 LYS QE 5.000 . 5.000 4.122 3.629 4.650 . 0 0 "[ . 1 . 2 . 3 .]" 1
177 1 20 LYS H 1 20 LYS QG 3.500 . 3.500 2.027 1.601 3.371 . 0 0 "[ . 1 . 2 . 3 .]" 1
178 1 20 LYS H 1 21 THR H 5.000 . 5.000 4.619 4.568 4.672 . 0 0 "[ . 1 . 2 . 3 .]" 1
179 1 20 LYS H 1 25 LEU QD 5.000 . 5.000 3.336 2.580 4.055 . 0 0 "[ . 1 . 2 . 3 .]" 1
180 1 20 LYS H 1 52 ALA MB 5.000 . 5.000 4.464 3.718 4.986 . 0 0 "[ . 1 . 2 . 3 .]" 1
181 1 20 LYS H 1 90 GLN QB 7.000 . 7.000 5.444 4.935 6.692 . 0 0 "[ . 1 . 2 . 3 .]" 1
182 1 20 LYS H 1 90 GLN QE 7.000 . 7.000 5.275 2.310 7.030 0.030 8 0 "[ . 1 . 2 . 3 .]" 1
183 1 20 LYS H 1 90 GLN QG 5.000 . 5.000 3.942 3.241 4.764 . 0 0 "[ . 1 . 2 . 3 .]" 1
184 1 20 LYS H 1 91 VAL H 7.000 . 7.000 5.769 5.438 6.969 . 0 0 "[ . 1 . 2 . 3 .]" 1
185 1 20 LYS H 1 91 VAL HA 5.000 . 5.000 4.246 3.953 4.741 . 0 0 "[ . 1 . 2 . 3 .]" 1
186 1 20 LYS H 1 91 VAL QG 5.000 . 5.000 4.903 4.710 5.077 0.077 16 0 "[ . 1 . 2 . 3 .]" 1
187 1 20 LYS H 1 92 VAL H 5.000 . 5.000 4.260 3.689 4.909 . 0 0 "[ . 1 . 2 . 3 .]" 1
188 1 20 LYS HA 1 20 LYS QB 2.800 . 2.800 2.212 2.065 2.326 . 0 0 "[ . 1 . 2 . 3 .]" 1
189 1 20 LYS HA 1 20 LYS QG 3.500 . 3.500 3.100 2.658 3.568 0.068 31 0 "[ . 1 . 2 . 3 .]" 1
190 1 20 LYS HA 1 21 THR H 2.800 . 2.800 2.273 2.134 2.590 . 0 0 "[ . 1 . 2 . 3 .]" 1
191 1 20 LYS HA 1 23 GLY H 7.000 . 7.000 5.131 4.592 5.655 . 0 0 "[ . 1 . 2 . 3 .]" 1
192 1 20 LYS HA 1 25 LEU HA 5.000 . 5.000 2.742 2.336 3.203 . 0 0 "[ . 1 . 2 . 3 .]" 1
193 1 20 LYS HA 1 25 LEU QD 3.500 . 3.500 2.907 2.282 3.612 0.112 3 0 "[ . 1 . 2 . 3 .]" 1
194 1 20 LYS HA 1 52 ALA MB 2.800 . 2.800 2.780 2.332 2.922 0.122 5 0 "[ . 1 . 2 . 3 .]" 1
195 1 20 LYS QB 1 20 LYS QE 3.500 . 3.500 2.643 2.091 3.576 0.076 8 0 "[ . 1 . 2 . 3 .]" 1
196 1 20 LYS QB 1 21 THR H 3.500 . 3.500 2.811 2.220 3.195 . 0 0 "[ . 1 . 2 . 3 .]" 1
197 1 20 LYS QB 1 21 THR MG 5.000 . 5.000 4.295 3.798 5.158 0.158 5 0 "[ . 1 . 2 . 3 .]" 1
198 1 20 LYS QB 1 23 GLY H 5.000 . 5.000 3.011 2.426 3.991 . 0 0 "[ . 1 . 2 . 3 .]" 1
199 1 20 LYS QB 1 23 GLY QA 5.000 . 5.000 3.045 2.308 3.665 . 0 0 "[ . 1 . 2 . 3 .]" 1
200 1 20 LYS QB 1 24 SER H 3.500 . 3.500 1.826 1.578 2.106 . 0 0 "[ . 1 . 2 . 3 .]" 1
201 1 20 LYS QB 1 24 SER HA 3.500 . 3.500 3.724 3.574 3.887 0.387 3 0 "[ . 1 . 2 . 3 .]" 1
202 1 20 LYS QB 1 25 LEU QB 7.000 . 7.000 4.258 3.651 5.003 . 0 0 "[ . 1 . 2 . 3 .]" 1
203 1 20 LYS QB 1 25 LEU HG 5.000 . 5.000 3.107 2.165 4.186 . 0 0 "[ . 1 . 2 . 3 .]" 1
204 1 20 LYS QB 1 90 GLN H 7.000 . 7.000 6.788 5.780 7.208 0.208 29 0 "[ . 1 . 2 . 3 .]" 1
205 1 20 LYS QD 1 23 GLY QA 7.000 . 7.000 3.246 2.061 4.410 . 0 0 "[ . 1 . 2 . 3 .]" 1
206 1 20 LYS QD 1 24 SER HA 7.000 . 7.000 5.730 4.460 6.566 . 0 0 "[ . 1 . 2 . 3 .]" 1
207 1 20 LYS QD 1 90 GLN HA 2.800 . 2.800 2.726 2.177 2.919 0.119 24 0 "[ . 1 . 2 . 3 .]" 1
208 1 20 LYS QE 1 20 LYS QG 3.500 . 3.500 2.289 2.060 2.749 . 0 0 "[ . 1 . 2 . 3 .]" 1
209 1 20 LYS QE 1 25 LEU QD 3.500 . 3.500 3.379 2.262 3.746 0.246 10 0 "[ . 1 . 2 . 3 .]" 1
210 1 20 LYS QE 1 25 LEU HG 7.000 . 7.000 4.069 2.626 6.092 . 0 0 "[ . 1 . 2 . 3 .]" 1
211 1 20 LYS QE 1 87 ASN HA 7.000 . 7.000 5.478 4.609 6.568 . 0 0 "[ . 1 . 2 . 3 .]" 1
212 1 20 LYS QE 1 92 VAL QG 3.500 . 3.500 2.796 1.927 3.506 0.006 21 0 "[ . 1 . 2 . 3 .]" 1
213 1 20 LYS QG 1 24 SER HA 7.000 . 7.000 5.085 4.286 5.958 . 0 0 "[ . 1 . 2 . 3 .]" 1
214 1 20 LYS QG 1 25 LEU HA 7.000 . 7.000 4.321 3.454 5.205 . 0 0 "[ . 1 . 2 . 3 .]" 1
215 1 20 LYS QG 1 25 LEU QD 2.800 . 2.800 2.462 1.892 3.075 0.275 26 0 "[ . 1 . 2 . 3 .]" 1
216 1 21 THR H 1 21 THR HB 3.500 . 3.500 2.938 2.550 3.533 0.033 13 0 "[ . 1 . 2 . 3 .]" 1
217 1 21 THR H 1 22 ASP H 5.000 . 5.000 4.114 3.531 4.391 . 0 0 "[ . 1 . 2 . 3 .]" 1
218 1 21 THR H 1 23 GLY H 7.000 . 7.000 4.215 3.360 4.908 . 0 0 "[ . 1 . 2 . 3 .]" 1
219 1 21 THR H 1 24 SER HA 7.000 . 7.000 4.879 4.612 5.359 . 0 0 "[ . 1 . 2 . 3 .]" 1
220 1 21 THR H 1 48 ILE MD 7.000 . 7.000 6.269 5.753 6.888 . 0 0 "[ . 1 . 2 . 3 .]" 1
221 1 21 THR H 1 52 ALA H 7.000 . 7.000 5.091 4.053 6.271 . 0 0 "[ . 1 . 2 . 3 .]" 1
222 1 21 THR HA 1 21 THR MG 3.500 . 3.500 3.189 2.178 3.268 . 0 0 "[ . 1 . 2 . 3 .]" 1
223 1 21 THR HA 1 22 ASP H 3.500 . 3.500 2.107 2.037 2.356 . 0 0 "[ . 1 . 2 . 3 .]" 1
224 1 21 THR HA 1 23 GLY H 5.000 . 5.000 4.225 3.519 4.938 . 0 0 "[ . 1 . 2 . 3 .]" 1
225 1 21 THR HB 1 52 ALA MB 3.500 . 3.500 3.471 2.944 3.759 0.259 13 0 "[ . 1 . 2 . 3 .]" 1
226 1 21 THR MG 1 22 ASP H 5.000 . 5.000 4.256 3.784 4.395 . 0 0 "[ . 1 . 2 . 3 .]" 1
227 1 21 THR MG 1 22 ASP QB 5.000 . 5.000 4.094 3.513 4.603 . 0 0 "[ . 1 . 2 . 3 .]" 1
228 1 21 THR MG 1 52 ALA H 5.000 . 5.000 3.663 2.792 5.066 0.066 5 0 "[ . 1 . 2 . 3 .]" 1
229 1 22 ASP H 1 23 GLY H 5.000 . 5.000 3.041 2.692 3.449 . 0 0 "[ . 1 . 2 . 3 .]" 1
230 1 22 ASP H 1 24 SER H 7.000 . 7.000 4.873 4.308 5.714 . 0 0 "[ . 1 . 2 . 3 .]" 1
231 1 22 ASP HA 1 22 ASP QB 2.800 . 2.800 2.431 2.306 2.581 . 0 0 "[ . 1 . 2 . 3 .]" 1
232 1 22 ASP HA 1 23 GLY H 3.500 . 3.500 2.682 2.241 3.437 . 0 0 "[ . 1 . 2 . 3 .]" 1
233 1 22 ASP QB 1 23 GLY H 5.000 . 5.000 3.870 3.113 4.105 . 0 0 "[ . 1 . 2 . 3 .]" 1
234 1 22 ASP QB 1 24 SER H 7.000 . 7.000 5.304 4.857 5.953 . 0 0 "[ . 1 . 2 . 3 .]" 1
235 1 23 GLY H 1 24 SER H 3.500 . 3.500 2.835 2.090 3.340 . 0 0 "[ . 1 . 2 . 3 .]" 1
236 1 23 GLY H 1 90 GLN QE 7.000 . 7.000 6.326 4.177 7.073 0.073 19 0 "[ . 1 . 2 . 3 .]" 1
237 1 23 GLY QA 1 24 SER H 3.500 . 3.500 2.568 2.222 2.776 . 0 0 "[ . 1 . 2 . 3 .]" 1
238 1 24 SER H 1 24 SER QB 3.500 . 3.500 3.168 2.777 3.540 0.040 18 0 "[ . 1 . 2 . 3 .]" 1
239 1 24 SER H 1 25 LEU QB 5.000 . 5.000 5.274 5.131 5.396 0.396 6 0 "[ . 1 . 2 . 3 .]" 1
240 1 24 SER H 1 26 GLY QA 7.000 . 7.000 5.910 5.712 6.142 . 0 0 "[ . 1 . 2 . 3 .]" 1
241 1 24 SER HA 1 24 SER QB 2.800 . 2.800 2.326 2.120 2.496 . 0 0 "[ . 1 . 2 . 3 .]" 1
242 1 24 SER HA 1 25 LEU HG 7.000 . 7.000 3.716 3.516 3.890 . 0 0 "[ . 1 . 2 . 3 .]" 1
243 1 24 SER HA 1 26 GLY H 5.000 . 5.000 3.246 2.862 3.498 . 0 0 "[ . 1 . 2 . 3 .]" 1
244 1 24 SER HA 1 86 ARG HA 7.000 . 7.000 5.830 5.361 6.299 . 0 0 "[ . 1 . 2 . 3 .]" 1
245 1 24 SER QB 1 25 LEU QB 7.000 . 7.000 5.018 4.485 5.760 . 0 0 "[ . 1 . 2 . 3 .]" 1
246 1 24 SER QB 1 25 LEU QD 7.000 . 7.000 5.079 4.772 5.327 . 0 0 "[ . 1 . 2 . 3 .]" 1
247 1 24 SER QB 1 25 LEU HG 7.000 . 7.000 5.276 4.875 5.708 . 0 0 "[ . 1 . 2 . 3 .]" 1
248 1 24 SER QB 1 26 GLY H 5.000 . 5.000 3.665 2.806 4.624 . 0 0 "[ . 1 . 2 . 3 .]" 1
249 1 24 SER QB 1 86 ARG HA 7.000 . 7.000 7.078 6.697 7.217 0.217 22 0 "[ . 1 . 2 . 3 .]" 1
250 1 25 LEU HA 1 25 LEU QB 2.800 . 2.800 2.404 2.176 2.434 . 0 0 "[ . 1 . 2 . 3 .]" 1
251 1 25 LEU HA 1 25 LEU QD 2.800 . 2.800 2.415 2.183 2.850 0.050 15 0 "[ . 1 . 2 . 3 .]" 1
252 1 25 LEU HA 1 25 LEU HG 3.500 . 3.500 3.164 3.041 3.633 0.133 15 0 "[ . 1 . 2 . 3 .]" 1
253 1 25 LEU HA 1 52 ALA MB 2.800 . 2.800 2.192 1.957 2.584 . 0 0 "[ . 1 . 2 . 3 .]" 1
254 1 25 LEU QB 1 25 LEU QD 2.800 . 2.800 1.903 1.874 1.935 . 0 0 "[ . 1 . 2 . 3 .]" 1
255 1 25 LEU QB 1 26 GLY H 5.000 . 5.000 2.203 1.959 2.568 . 0 0 "[ . 1 . 2 . 3 .]" 1
256 1 25 LEU QB 1 27 ILE H 3.500 . 3.500 2.796 2.562 3.300 . 0 0 "[ . 1 . 2 . 3 .]" 1
257 1 25 LEU QB 1 27 ILE MD 3.500 . 3.500 3.361 2.922 3.591 0.091 30 0 "[ . 1 . 2 . 3 .]" 1
258 1 25 LEU QB 1 27 ILE MG 7.000 . 7.000 3.254 2.738 3.771 . 0 0 "[ . 1 . 2 . 3 .]" 1
259 1 25 LEU QD 1 26 GLY H 7.000 . 7.000 3.563 3.408 3.750 . 0 0 "[ . 1 . 2 . 3 .]" 1
260 1 25 LEU QD 1 26 GLY QA 5.000 . 5.000 4.736 4.638 4.833 . 0 0 "[ . 1 . 2 . 3 .]" 1
261 1 25 LEU QD 1 27 ILE H 3.500 . 3.500 3.701 3.547 3.821 0.321 6 0 "[ . 1 . 2 . 3 .]" 1
262 1 25 LEU QD 1 27 ILE MD 2.800 . 2.800 2.496 2.144 2.843 0.043 6 0 "[ . 1 . 2 . 3 .]" 1
263 1 25 LEU QD 1 53 ALA H 7.000 . 7.000 4.556 4.210 4.778 . 0 0 "[ . 1 . 2 . 3 .]" 1
264 1 25 LEU QD 1 85 LEU H 5.000 . 5.000 5.050 4.772 5.167 0.167 29 0 "[ . 1 . 2 . 3 .]" 1
265 1 25 LEU QD 1 85 LEU HA 3.500 . 3.500 3.553 3.251 3.641 0.141 19 0 "[ . 1 . 2 . 3 .]" 1
266 1 25 LEU QD 1 86 ARG H 5.000 . 5.000 4.960 4.551 5.073 0.073 33 0 "[ . 1 . 2 . 3 .]" 1
267 1 25 LEU QD 1 92 VAL H 5.000 . 5.000 3.954 3.459 4.605 . 0 0 "[ . 1 . 2 . 3 .]" 1
268 1 25 LEU QD 1 92 VAL HB 2.800 . 2.800 2.222 1.975 3.038 0.238 17 0 "[ . 1 . 2 . 3 .]" 1
269 1 25 LEU QD 1 92 VAL QG 2.800 . 2.800 1.804 1.688 2.076 . 0 0 "[ . 1 . 2 . 3 .]" 1
270 1 25 LEU QD 1 94 LEU HA 7.000 . 7.000 4.906 4.442 5.314 . 0 0 "[ . 1 . 2 . 3 .]" 1
271 1 26 GLY H 1 26 GLY QA 2.800 . 2.800 2.257 2.210 2.323 . 0 0 "[ . 1 . 2 . 3 .]" 1
272 1 26 GLY H 1 27 ILE H 3.500 . 3.500 2.007 1.906 2.138 . 0 0 "[ . 1 . 2 . 3 .]" 1
273 1 26 GLY H 1 27 ILE HB 7.000 . 7.000 5.622 5.426 5.796 . 0 0 "[ . 1 . 2 . 3 .]" 1
274 1 26 GLY H 1 48 ILE MD 5.000 . 5.000 3.935 3.800 4.166 . 0 0 "[ . 1 . 2 . 3 .]" 1
275 1 26 GLY QA 1 27 ILE H 3.500 . 3.500 2.775 2.640 2.962 . 0 0 "[ . 1 . 2 . 3 .]" 1
276 1 26 GLY QA 1 27 ILE HB 7.000 . 7.000 5.540 5.458 5.600 . 0 0 "[ . 1 . 2 . 3 .]" 1
277 1 26 GLY QA 1 27 ILE MG 5.000 . 5.000 3.642 3.356 3.894 . 0 0 "[ . 1 . 2 . 3 .]" 1
278 1 26 GLY QA 1 28 SER H 5.000 . 5.000 5.092 4.871 5.191 0.191 3 0 "[ . 1 . 2 . 3 .]" 1
279 1 26 GLY QA 1 48 ILE H 5.000 . 5.000 3.661 3.314 4.169 . 0 0 "[ . 1 . 2 . 3 .]" 1
280 1 26 GLY QA 1 48 ILE HB 5.000 . 5.000 3.968 2.472 4.875 . 0 0 "[ . 1 . 2 . 3 .]" 1
281 1 26 GLY QA 1 48 ILE QG 5.000 . 5.000 2.549 2.063 3.415 . 0 0 "[ . 1 . 2 . 3 .]" 1
282 1 26 GLY QA 1 48 ILE MG 3.500 . 3.500 3.550 3.352 3.672 0.172 26 0 "[ . 1 . 2 . 3 .]" 1
283 1 26 GLY QA 1 51 GLY H 7.000 . 7.000 4.292 3.381 5.348 . 0 0 "[ . 1 . 2 . 3 .]" 1
284 1 26 GLY QA 1 53 ALA H 3.500 . 3.500 3.515 3.083 3.628 0.128 18 0 "[ . 1 . 2 . 3 .]" 1
285 1 27 ILE H 1 27 ILE HA 2.800 . 2.800 2.926 2.906 2.946 0.146 24 0 "[ . 1 . 2 . 3 .]" 1
286 1 27 ILE H 1 27 ILE MD 5.000 . 5.000 3.840 3.723 3.993 . 0 0 "[ . 1 . 2 . 3 .]" 1
287 1 27 ILE H 1 27 ILE QG 3.500 . 3.500 2.092 1.966 2.253 . 0 0 "[ . 1 . 2 . 3 .]" 1
288 1 27 ILE H 1 27 ILE MG 3.500 . 3.500 2.921 2.718 3.127 . 0 0 "[ . 1 . 2 . 3 .]" 1
289 1 27 ILE H 1 28 SER H 7.000 . 7.000 4.270 4.192 4.333 . 0 0 "[ . 1 . 2 . 3 .]" 1
290 1 27 ILE HA 1 27 ILE MG 2.800 . 2.800 2.122 1.992 2.235 . 0 0 "[ . 1 . 2 . 3 .]" 1
291 1 27 ILE HA 1 28 SER H 2.800 . 2.800 2.041 1.952 2.145 . 0 0 "[ . 1 . 2 . 3 .]" 1
292 1 27 ILE HA 1 46 ALA H 7.000 . 7.000 4.544 4.158 4.942 . 0 0 "[ . 1 . 2 . 3 .]" 1
293 1 27 ILE HA 1 47 ILE HA 5.000 . 5.000 3.138 2.802 3.532 . 0 0 "[ . 1 . 2 . 3 .]" 1
294 1 27 ILE HA 1 47 ILE MD 3.500 . 3.500 3.253 2.891 3.571 0.071 34 0 "[ . 1 . 2 . 3 .]" 1
295 1 27 ILE HA 1 47 ILE MG 7.000 . 7.000 4.540 4.191 5.133 . 0 0 "[ . 1 . 2 . 3 .]" 1
296 1 27 ILE HA 1 48 ILE H 5.000 . 5.000 3.778 3.412 4.367 . 0 0 "[ . 1 . 2 . 3 .]" 1
297 1 27 ILE HA 1 48 ILE MD 5.000 . 5.000 4.569 4.106 4.835 . 0 0 "[ . 1 . 2 . 3 .]" 1
298 1 27 ILE HA 1 48 ILE QG 7.000 . 7.000 4.171 3.357 4.624 . 0 0 "[ . 1 . 2 . 3 .]" 1
299 1 27 ILE HA 1 48 ILE MG 7.000 . 7.000 4.758 3.574 6.353 . 0 0 "[ . 1 . 2 . 3 .]" 1
300 1 27 ILE HB 1 27 ILE MD 2.800 . 2.800 2.391 2.283 2.616 . 0 0 "[ . 1 . 2 . 3 .]" 1
301 1 27 ILE HB 1 27 ILE QG 2.800 . 2.800 2.428 2.323 2.492 . 0 0 "[ . 1 . 2 . 3 .]" 1
302 1 27 ILE HB 1 28 SER H 3.500 . 3.500 3.252 2.997 3.402 . 0 0 "[ . 1 . 2 . 3 .]" 1
303 1 27 ILE HB 1 29 VAL QG 5.000 . 5.000 3.481 2.995 4.206 . 0 0 "[ . 1 . 2 . 3 .]" 1
304 1 27 ILE HB 1 44 VAL QG 5.000 . 5.000 2.166 1.927 2.983 . 0 0 "[ . 1 . 2 . 3 .]" 1
305 1 27 ILE HB 1 47 ILE HA 7.000 . 7.000 4.770 4.168 5.149 . 0 0 "[ . 1 . 2 . 3 .]" 1
306 1 27 ILE MD 1 27 ILE MG 2.800 . 2.800 2.153 2.031 2.265 . 0 0 "[ . 1 . 2 . 3 .]" 1
307 1 27 ILE MD 1 28 SER H 5.000 . 5.000 5.046 4.747 5.172 0.172 7 0 "[ . 1 . 2 . 3 .]" 1
308 1 27 ILE MD 1 28 SER HA 7.000 . 7.000 5.637 5.095 5.984 . 0 0 "[ . 1 . 2 . 3 .]" 1
309 1 27 ILE MD 1 44 VAL HA 5.000 . 5.000 3.971 3.399 4.463 . 0 0 "[ . 1 . 2 . 3 .]" 1
310 1 27 ILE MG 1 28 SER H 5.000 . 5.000 3.694 3.363 3.897 . 0 0 "[ . 1 . 2 . 3 .]" 1
311 1 27 ILE MG 1 28 SER HA 7.000 . 7.000 5.566 5.432 5.656 . 0 0 "[ . 1 . 2 . 3 .]" 1
312 1 27 ILE MG 1 29 VAL H 7.000 . 7.000 6.105 5.922 6.323 . 0 0 "[ . 1 . 2 . 3 .]" 1
313 1 27 ILE MG 1 47 ILE HB 5.000 . 5.000 5.072 4.718 5.213 0.213 21 0 "[ . 1 . 2 . 3 .]" 1
314 1 27 ILE MG 1 50 LYS H 7.000 . 7.000 7.141 7.063 7.248 0.248 7 0 "[ . 1 . 2 . 3 .]" 1
315 1 27 ILE MG 1 53 ALA H 7.000 . 7.000 4.241 3.902 4.577 . 0 0 "[ . 1 . 2 . 3 .]" 1
316 1 27 ILE MG 1 53 ALA HA 7.000 . 7.000 4.409 4.166 4.973 . 0 0 "[ . 1 . 2 . 3 .]" 1
317 1 27 ILE MG 1 53 ALA MB 2.800 . 2.800 2.024 1.851 2.313 . 0 0 "[ . 1 . 2 . 3 .]" 1
318 1 28 SER H 1 28 SER QB 3.500 . 3.500 2.492 2.325 2.646 . 0 0 "[ . 1 . 2 . 3 .]" 1
319 1 28 SER H 1 29 VAL H 5.000 . 5.000 4.409 4.312 4.526 . 0 0 "[ . 1 . 2 . 3 .]" 1
320 1 28 SER H 1 29 VAL QG 7.000 . 7.000 4.460 4.253 4.790 . 0 0 "[ . 1 . 2 . 3 .]" 1
321 1 28 SER H 1 45 LYS H 7.000 . 7.000 4.182 3.946 4.369 . 0 0 "[ . 1 . 2 . 3 .]" 1
322 1 28 SER H 1 46 ALA H 3.500 . 3.500 3.079 2.749 3.385 . 0 0 "[ . 1 . 2 . 3 .]" 1
323 1 28 SER H 1 46 ALA MB 5.000 . 5.000 3.509 2.937 4.149 . 0 0 "[ . 1 . 2 . 3 .]" 1
324 1 28 SER H 1 48 ILE MD 5.000 . 5.000 5.105 4.709 5.242 0.242 18 0 "[ . 1 . 2 . 3 .]" 1
325 1 28 SER HA 1 29 VAL QG 3.500 . 3.500 3.235 3.062 3.382 . 0 0 "[ . 1 . 2 . 3 .]" 1
326 1 28 SER HA 1 44 VAL QG 7.000 . 7.000 4.793 4.445 5.772 . 0 0 "[ . 1 . 2 . 3 .]" 1
327 1 28 SER HA 1 46 ALA H 5.000 . 5.000 4.731 4.518 4.961 . 0 0 "[ . 1 . 2 . 3 .]" 1
328 1 28 SER HA 1 48 ILE MD 7.000 . 7.000 5.964 5.466 6.275 . 0 0 "[ . 1 . 2 . 3 .]" 1
329 1 28 SER QB 1 29 VAL H 5.000 . 5.000 3.398 3.204 3.631 . 0 0 "[ . 1 . 2 . 3 .]" 1
330 1 28 SER QB 1 29 VAL QG 5.000 . 5.000 4.051 3.893 4.167 . 0 0 "[ . 1 . 2 . 3 .]" 1
331 1 28 SER QB 1 45 LYS QB 7.000 . 7.000 2.494 2.077 3.253 . 0 0 "[ . 1 . 2 . 3 .]" 1
332 1 28 SER QB 1 45 LYS QG 7.000 . 7.000 3.999 2.947 4.928 . 0 0 "[ . 1 . 2 . 3 .]" 1
333 1 28 SER QB 1 46 ALA H 3.500 . 3.500 2.191 1.803 2.634 . 0 0 "[ . 1 . 2 . 3 .]" 1
334 1 28 SER QB 1 46 ALA HA 7.000 . 7.000 4.350 4.045 4.684 . 0 0 "[ . 1 . 2 . 3 .]" 1
335 1 28 SER QB 1 46 ALA MB 2.800 . 2.800 2.321 2.053 2.728 . 0 0 "[ . 1 . 2 . 3 .]" 1
336 1 28 SER QB 1 48 ILE MD 7.000 . 7.000 6.044 5.542 6.431 . 0 0 "[ . 1 . 2 . 3 .]" 1
337 1 29 VAL H 1 29 VAL HA 2.800 . 2.800 2.823 2.797 2.849 0.049 16 0 "[ . 1 . 2 . 3 .]" 1
338 1 29 VAL H 1 29 VAL HB 3.500 . 3.500 3.576 3.530 3.599 0.099 14 0 "[ . 1 . 2 . 3 .]" 1
339 1 29 VAL H 1 29 VAL QG 2.800 . 2.800 1.822 1.778 1.860 . 0 0 "[ . 1 . 2 . 3 .]" 1
340 1 29 VAL HA 1 29 VAL HB 2.800 . 2.800 2.438 2.360 2.502 . 0 0 "[ . 1 . 2 . 3 .]" 1
341 1 29 VAL HA 1 29 VAL QG 2.800 . 2.800 2.137 2.060 2.221 . 0 0 "[ . 1 . 2 . 3 .]" 1
342 1 29 VAL HA 1 30 THR MG 5.000 . 5.000 3.668 3.374 3.847 . 0 0 "[ . 1 . 2 . 3 .]" 1
343 1 29 VAL HA 1 42 ILE MG 5.000 . 5.000 4.092 3.883 4.438 . 0 0 "[ . 1 . 2 . 3 .]" 1
344 1 29 VAL HA 1 43 TYR H 7.000 . 7.000 4.111 3.902 4.462 . 0 0 "[ . 1 . 2 . 3 .]" 1
345 1 29 VAL HA 1 44 VAL HA 3.500 . 3.500 3.031 2.828 3.454 . 0 0 "[ . 1 . 2 . 3 .]" 1
346 1 29 VAL HA 1 45 LYS H 3.500 . 3.500 3.328 3.148 3.507 0.007 13 0 "[ . 1 . 2 . 3 .]" 1
347 1 29 VAL HA 1 45 LYS QB 5.000 . 5.000 4.123 3.829 4.415 . 0 0 "[ . 1 . 2 . 3 .]" 1
348 1 29 VAL HA 1 46 ALA H 7.000 . 7.000 5.134 4.890 5.579 . 0 0 "[ . 1 . 2 . 3 .]" 1
349 1 29 VAL HB 1 30 THR H 3.500 . 3.500 3.100 2.761 3.310 . 0 0 "[ . 1 . 2 . 3 .]" 1
350 1 29 VAL HB 1 30 THR HB 7.000 . 7.000 5.709 5.450 5.923 . 0 0 "[ . 1 . 2 . 3 .]" 1
351 1 29 VAL HB 1 30 THR MG 7.000 . 7.000 4.937 4.736 5.148 . 0 0 "[ . 1 . 2 . 3 .]" 1
352 1 29 VAL HB 1 42 ILE MG 3.500 . 3.500 3.119 2.701 3.455 . 0 0 "[ . 1 . 2 . 3 .]" 1
353 1 29 VAL HB 1 43 TYR H 5.000 . 5.000 3.930 3.721 4.171 . 0 0 "[ . 1 . 2 . 3 .]" 1
354 1 29 VAL HB 1 44 VAL HA 7.000 . 7.000 5.140 4.820 5.453 . 0 0 "[ . 1 . 2 . 3 .]" 1
355 1 29 VAL HB 1 45 LYS H 7.000 . 7.000 5.712 5.478 5.971 . 0 0 "[ . 1 . 2 . 3 .]" 1
356 1 29 VAL HB 1 73 LEU QD 5.000 . 5.000 5.281 5.118 5.390 0.390 11 0 "[ . 1 . 2 . 3 .]" 1
357 1 29 VAL HB 1 81 ALA MB 3.500 . 3.500 3.456 3.244 3.568 0.068 4 0 "[ . 1 . 2 . 3 .]" 1
358 1 29 VAL QG 1 30 THR H 3.500 . 3.500 3.424 3.313 3.520 0.020 4 0 "[ . 1 . 2 . 3 .]" 1
359 1 29 VAL QG 1 30 THR MG 7.000 . 7.000 4.497 4.302 4.623 . 0 0 "[ . 1 . 2 . 3 .]" 1
360 1 29 VAL QG 1 42 ILE QG 7.000 . 7.000 2.556 2.213 2.681 . 0 0 "[ . 1 . 2 . 3 .]" 1
361 1 29 VAL QG 1 43 TYR H 7.000 . 7.000 4.152 3.933 4.440 . 0 0 "[ . 1 . 2 . 3 .]" 1
362 1 29 VAL QG 1 44 VAL HA 3.500 . 3.500 3.647 3.528 3.847 0.347 24 0 "[ . 1 . 2 . 3 .]" 1
363 1 29 VAL QG 1 45 LYS H 5.000 . 5.000 4.404 4.252 4.532 . 0 0 "[ . 1 . 2 . 3 .]" 1
364 1 29 VAL QG 1 46 ALA H 7.000 . 7.000 5.412 5.262 5.672 . 0 0 "[ . 1 . 2 . 3 .]" 1
365 1 29 VAL QG 1 78 HIS HD2 7.000 . 7.000 2.818 1.866 5.066 . 0 0 "[ . 1 . 2 . 3 .]" 1
366 1 29 VAL QG 1 81 ALA MB 2.800 . 2.800 2.862 2.744 2.969 0.169 30 0 "[ . 1 . 2 . 3 .]" 1
367 1 29 VAL QG 1 82 VAL HA 5.000 . 5.000 3.227 2.981 3.482 . 0 0 "[ . 1 . 2 . 3 .]" 1
368 1 29 VAL QG 1 83 GLU H 7.000 . 7.000 5.530 5.301 5.922 . 0 0 "[ . 1 . 2 . 3 .]" 1
369 1 29 VAL QG 1 85 LEU H 5.000 . 5.000 5.081 4.966 5.177 0.177 19 0 "[ . 1 . 2 . 3 .]" 1
370 1 30 THR H 1 30 THR HA 2.800 . 2.800 2.889 2.858 2.906 0.106 13 0 "[ . 1 . 2 . 3 .]" 1
371 1 30 THR H 1 30 THR HB 3.500 . 3.500 3.193 3.050 3.401 . 0 0 "[ . 1 . 2 . 3 .]" 1
372 1 30 THR H 1 30 THR MG 3.500 . 3.500 2.225 1.958 2.391 . 0 0 "[ . 1 . 2 . 3 .]" 1
373 1 30 THR H 1 42 ILE MG 5.000 . 5.000 4.394 3.990 4.761 . 0 0 "[ . 1 . 2 . 3 .]" 1
374 1 30 THR H 1 43 TYR H 3.500 . 3.500 2.877 2.623 3.098 . 0 0 "[ . 1 . 2 . 3 .]" 1
375 1 30 THR H 1 45 LYS H 5.000 . 5.000 3.605 3.388 3.969 . 0 0 "[ . 1 . 2 . 3 .]" 1
376 1 30 THR HA 1 30 THR MG 3.500 . 3.500 3.242 3.221 3.261 . 0 0 "[ . 1 . 2 . 3 .]" 1
377 1 30 THR HA 1 31 GLY H 5.000 . 5.000 2.446 2.319 2.615 . 0 0 "[ . 1 . 2 . 3 .]" 1
378 1 30 THR HA 1 42 ILE MD 7.000 . 7.000 3.754 3.369 4.200 . 0 0 "[ . 1 . 2 . 3 .]" 1
379 1 30 THR HB 1 31 GLY H 3.500 . 3.500 3.608 3.563 3.678 0.178 25 0 "[ . 1 . 2 . 3 .]" 1
380 1 30 THR HB 1 45 LYS QB 2.800 . 2.800 2.138 1.900 2.565 . 0 0 "[ . 1 . 2 . 3 .]" 1
381 1 30 THR MG 1 31 GLY H 5.000 . 5.000 3.154 2.861 3.526 . 0 0 "[ . 1 . 2 . 3 .]" 1
382 1 30 THR MG 1 31 GLY QA 7.000 . 7.000 3.369 2.870 3.635 . 0 0 "[ . 1 . 2 . 3 .]" 1
383 1 30 THR MG 1 42 ILE HA 7.000 . 7.000 5.196 5.004 5.500 . 0 0 "[ . 1 . 2 . 3 .]" 1
384 1 30 THR MG 1 43 TYR H 3.500 . 3.500 3.479 3.288 3.613 0.113 3 0 "[ . 1 . 2 . 3 .]" 1
385 1 30 THR MG 1 43 TYR QB 3.500 . 3.500 2.146 1.994 2.419 . 0 0 "[ . 1 . 2 . 3 .]" 1
386 1 30 THR MG 1 43 TYR QD 5.000 . 5.000 3.799 3.274 4.074 . 0 0 "[ . 1 . 2 . 3 .]" 1
387 1 30 THR MG 1 45 LYS H 5.000 . 5.000 2.882 2.647 3.153 . 0 0 "[ . 1 . 2 . 3 .]" 1
388 1 30 THR MG 1 45 LYS HA 5.000 . 5.000 2.709 2.411 3.177 . 0 0 "[ . 1 . 2 . 3 .]" 1
389 1 30 THR MG 1 45 LYS QB 3.500 . 3.500 2.283 2.063 2.482 . 0 0 "[ . 1 . 2 . 3 .]" 1
390 1 30 THR MG 1 45 LYS QE 5.000 . 5.000 4.209 2.444 5.051 0.051 3 0 "[ . 1 . 2 . 3 .]" 1
391 1 31 GLY H 1 37 VAL QG 7.000 . 7.000 4.314 3.679 5.195 . 0 0 "[ . 1 . 2 . 3 .]" 1
392 1 31 GLY QA 1 32 GLY H 5.000 . 5.000 2.195 2.095 2.742 . 0 0 "[ . 1 . 2 . 3 .]" 1
393 1 31 GLY QA 1 37 VAL QG 3.500 . 3.500 2.261 1.921 2.922 . 0 0 "[ . 1 . 2 . 3 .]" 1
394 1 31 GLY QA 1 42 ILE MD 3.500 . 3.500 3.164 2.623 3.552 0.052 18 0 "[ . 1 . 2 . 3 .]" 1
395 1 31 GLY QA 1 43 TYR H 5.000 . 5.000 3.659 3.319 4.027 . 0 0 "[ . 1 . 2 . 3 .]" 1
396 1 31 GLY QA 1 43 TYR QD 3.500 . 3.500 2.397 2.156 2.944 . 0 0 "[ . 1 . 2 . 3 .]" 1
397 1 32 GLY H 1 37 VAL QG 5.000 . 5.000 2.137 1.658 3.865 . 0 0 "[ . 1 . 2 . 3 .]" 1
398 1 32 GLY H 1 42 ILE H 7.000 . 7.000 5.612 4.959 7.191 0.191 17 0 "[ . 1 . 2 . 3 .]" 1
399 1 32 GLY H 1 42 ILE MD 7.000 . 7.000 2.661 2.249 3.085 . 0 0 "[ . 1 . 2 . 3 .]" 1
400 1 32 GLY QA 1 33 VAL H 3.500 . 3.500 2.274 2.204 2.347 . 0 0 "[ . 1 . 2 . 3 .]" 1
401 1 32 GLY QA 1 33 VAL HA 7.000 . 7.000 3.912 3.837 4.006 . 0 0 "[ . 1 . 2 . 3 .]" 1
402 1 32 GLY QA 1 33 VAL HB 7.000 . 7.000 4.383 3.911 5.341 . 0 0 "[ . 1 . 2 . 3 .]" 1
403 1 32 GLY QA 1 33 VAL QG 5.000 . 5.000 3.590 3.183 3.862 . 0 0 "[ . 1 . 2 . 3 .]" 1
404 1 32 GLY QA 1 34 ASN H 7.000 . 7.000 3.134 2.906 3.373 . 0 0 "[ . 1 . 2 . 3 .]" 1
405 1 32 GLY QA 1 42 ILE MD 2.800 . 2.800 2.248 2.081 2.695 . 0 0 "[ . 1 . 2 . 3 .]" 1
406 1 32 GLY QA 1 43 TYR QD 5.000 . 5.000 4.492 4.113 4.961 . 0 0 "[ . 1 . 2 . 3 .]" 1
407 1 32 GLY QA 1 77 THR MG 7.000 . 7.000 4.425 4.055 4.880 . 0 0 "[ . 1 . 2 . 3 .]" 1
408 1 33 VAL H 1 33 VAL HB 3.500 . 3.500 2.563 2.141 3.582 0.082 12 0 "[ . 1 . 2 . 3 .]" 1
409 1 33 VAL H 1 33 VAL QG 2.800 . 2.800 2.219 1.881 2.465 . 0 0 "[ . 1 . 2 . 3 .]" 1
410 1 33 VAL H 1 34 ASN H 5.000 . 5.000 2.846 2.676 3.006 . 0 0 "[ . 1 . 2 . 3 .]" 1
411 1 33 VAL H 1 77 THR HA 5.000 . 5.000 2.536 2.294 2.984 . 0 0 "[ . 1 . 2 . 3 .]" 1
412 1 33 VAL HA 1 33 VAL QG 2.800 . 2.800 2.177 2.013 2.301 . 0 0 "[ . 1 . 2 . 3 .]" 1
413 1 33 VAL HA 1 34 ASN H 5.000 . 5.000 3.383 3.114 3.519 . 0 0 "[ . 1 . 2 . 3 .]" 1
414 1 33 VAL HA 1 35 THR H 5.000 . 5.000 4.018 3.342 4.939 . 0 0 "[ . 1 . 2 . 3 .]" 1
415 1 33 VAL HA 1 40 GLY H 5.000 . 5.000 4.508 1.789 5.209 0.209 24 0 "[ . 1 . 2 . 3 .]" 1
416 1 33 VAL HA 1 40 GLY QA 3.500 . 3.500 3.260 2.312 3.681 0.181 35 0 "[ . 1 . 2 . 3 .]" 1
417 1 33 VAL HB 1 76 ALA H 7.000 . 7.000 4.307 2.874 6.168 . 0 0 "[ . 1 . 2 . 3 .]" 1
418 1 33 VAL QG 1 34 ASN H 3.500 . 3.500 2.821 2.474 3.543 0.043 32 0 "[ . 1 . 2 . 3 .]" 1
419 1 33 VAL QG 1 34 ASN HA 5.000 . 5.000 3.221 2.756 3.747 . 0 0 "[ . 1 . 2 . 3 .]" 1
420 1 33 VAL QG 1 34 ASN QB 5.000 . 5.000 3.555 2.894 4.418 . 0 0 "[ . 1 . 2 . 3 .]" 1
421 1 33 VAL QG 1 40 GLY QA 3.500 . 3.500 2.635 1.926 3.400 . 0 0 "[ . 1 . 2 . 3 .]" 1
422 1 33 VAL QG 1 41 GLY QA 7.000 . 7.000 4.929 2.463 6.122 . 0 0 "[ . 1 . 2 . 3 .]" 1
423 1 33 VAL QG 1 75 GLY H 5.000 . 5.000 3.217 2.006 4.341 . 0 0 "[ . 1 . 2 . 3 .]" 1
424 1 33 VAL QG 1 75 GLY QA 2.800 . 2.800 2.164 1.958 2.633 . 0 0 "[ . 1 . 2 . 3 .]" 1
425 1 33 VAL QG 1 76 ALA H 5.000 . 5.000 3.348 2.573 3.964 . 0 0 "[ . 1 . 2 . 3 .]" 1
426 1 33 VAL QG 1 77 THR H 7.000 . 7.000 3.624 3.114 4.459 . 0 0 "[ . 1 . 2 . 3 .]" 1
427 1 33 VAL QG 1 77 THR HA 3.500 . 3.500 2.851 2.204 3.625 0.125 22 0 "[ . 1 . 2 . 3 .]" 1
428 1 33 VAL QG 1 77 THR HB 7.000 . 7.000 3.497 1.917 4.773 . 0 0 "[ . 1 . 2 . 3 .]" 1
429 1 33 VAL QG 1 77 THR MG 2.800 . 2.800 2.478 1.961 3.033 0.233 7 0 "[ . 1 . 2 . 3 .]" 1
430 1 34 ASN H 1 35 THR H 5.000 . 5.000 2.711 2.389 3.294 . 0 0 "[ . 1 . 2 . 3 .]" 1
431 1 34 ASN H 1 37 VAL QG 5.000 . 5.000 4.261 3.706 4.642 . 0 0 "[ . 1 . 2 . 3 .]" 1
432 1 34 ASN H 1 42 ILE MD 5.000 . 5.000 5.199 5.033 5.310 0.310 21 0 "[ . 1 . 2 . 3 .]" 1
433 1 34 ASN H 1 77 THR HA 2.800 . 2.800 2.825 2.398 2.996 0.196 5 0 "[ . 1 . 2 . 3 .]" 1
434 1 34 ASN QB 1 77 THR MG 3.500 . 3.500 2.983 1.982 3.670 0.170 29 0 "[ . 1 . 2 . 3 .]" 1
435 1 34 ASN QD 1 77 THR MG 7.000 . 7.000 4.186 1.788 5.572 . 0 0 "[ . 1 . 2 . 3 .]" 1
436 1 34 ASN QD 1 78 HIS H 5.000 . 5.000 4.259 2.063 5.109 0.109 9 0 "[ . 1 . 2 . 3 .]" 1
437 1 35 THR H 1 37 VAL QG 3.500 . 3.500 3.454 2.813 3.642 0.142 8 0 "[ . 1 . 2 . 3 .]" 1
438 1 35 THR H 1 77 THR HA 7.000 . 7.000 5.168 4.512 5.829 . 0 0 "[ . 1 . 2 . 3 .]" 1
439 1 36 SER HA 1 36 SER QB 2.800 . 2.800 2.339 2.119 2.456 . 0 0 "[ . 1 . 2 . 3 .]" 1
440 1 37 VAL H 1 37 VAL HB 3.500 . 3.500 3.454 2.406 3.699 0.199 10 0 "[ . 1 . 2 . 3 .]" 1
441 1 37 VAL H 1 37 VAL QG 3.500 . 3.500 1.956 1.682 2.538 . 0 0 "[ . 1 . 2 . 3 .]" 1
442 1 37 VAL H 1 38 ARG H 7.000 . 7.000 3.606 2.248 4.441 . 0 0 "[ . 1 . 2 . 3 .]" 1
443 1 37 VAL H 1 39 HIS HA 5.000 . 5.000 4.974 4.276 5.193 0.193 4 0 "[ . 1 . 2 . 3 .]" 1
444 1 37 VAL HA 1 37 VAL QG 2.800 . 2.800 2.206 2.087 2.396 . 0 0 "[ . 1 . 2 . 3 .]" 1
445 1 37 VAL HA 1 38 ARG H 3.500 . 3.500 2.835 2.138 3.512 0.012 27 0 "[ . 1 . 2 . 3 .]" 1
446 1 37 VAL HA 1 38 ARG QB 7.000 . 7.000 4.441 3.780 5.271 . 0 0 "[ . 1 . 2 . 3 .]" 1
447 1 37 VAL HB 1 38 ARG H 5.000 . 5.000 3.106 1.768 4.515 . 0 0 "[ . 1 . 2 . 3 .]" 1
448 1 37 VAL HB 1 43 TYR QE 5.000 . 5.000 2.879 2.018 4.864 . 0 0 "[ . 1 . 2 . 3 .]" 1
449 1 37 VAL QG 1 38 ARG H 5.000 . 5.000 2.929 1.791 3.773 . 0 0 "[ . 1 . 2 . 3 .]" 1
450 1 37 VAL QG 1 40 GLY H 5.000 . 5.000 2.991 1.800 4.102 . 0 0 "[ . 1 . 2 . 3 .]" 1
451 1 37 VAL QG 1 40 GLY QA 3.500 . 3.500 2.805 2.077 3.523 0.023 8 0 "[ . 1 . 2 . 3 .]" 1
452 1 37 VAL QG 1 41 GLY H 5.000 . 5.000 3.341 2.005 4.976 . 0 0 "[ . 1 . 2 . 3 .]" 1
453 1 37 VAL QG 1 41 GLY QA 5.000 . 5.000 3.893 2.231 4.694 . 0 0 "[ . 1 . 2 . 3 .]" 1
454 1 37 VAL QG 1 43 TYR QD 2.800 . 2.800 2.867 2.597 3.044 0.244 28 0 "[ . 1 . 2 . 3 .]" 1
455 1 37 VAL QG 1 43 TYR QE 2.800 . 2.800 2.162 1.921 2.433 . 0 0 "[ . 1 . 2 . 3 .]" 1
456 1 37 VAL QG 1 77 THR HA 5.000 . 5.000 5.159 4.814 5.289 0.289 29 0 "[ . 1 . 2 . 3 .]" 1
457 1 38 ARG H 1 38 ARG QB 3.500 . 3.500 2.689 1.846 3.516 0.016 27 0 "[ . 1 . 2 . 3 .]" 1
458 1 38 ARG HA 1 38 ARG QB 2.800 . 2.800 2.384 2.157 2.540 . 0 0 "[ . 1 . 2 . 3 .]" 1
459 1 38 ARG HA 1 38 ARG QG 3.500 . 3.500 2.533 2.173 3.432 . 0 0 "[ . 1 . 2 . 3 .]" 1
460 1 38 ARG QB 1 38 ARG QD 2.800 . 2.800 2.306 2.107 2.538 . 0 0 "[ . 1 . 2 . 3 .]" 1
461 1 38 ARG QB 1 39 HIS HD2 7.000 . 7.000 5.680 3.019 7.118 0.118 30 0 "[ . 1 . 2 . 3 .]" 1
462 1 39 HIS HA 1 40 GLY H 5.000 . 5.000 3.032 2.109 3.677 . 0 0 "[ . 1 . 2 . 3 .]" 1
463 1 39 HIS QB 1 40 GLY H 5.000 . 5.000 3.255 2.043 4.123 . 0 0 "[ . 1 . 2 . 3 .]" 1
464 1 40 GLY H 1 40 GLY QA 2.800 . 2.800 2.331 2.039 2.467 . 0 0 "[ . 1 . 2 . 3 .]" 1
465 1 40 GLY H 1 41 GLY H 3.500 . 3.500 3.496 1.861 3.876 0.376 7 0 "[ . 1 . 2 . 3 .]" 1
466 1 40 GLY QA 1 64 ARG HE 7.000 . 7.000 5.551 3.487 6.795 . 0 0 "[ . 1 . 2 . 3 .]" 1
467 1 41 GLY H 1 42 ILE H 7.000 . 7.000 4.333 3.822 4.691 . 0 0 "[ . 1 . 2 . 3 .]" 1
468 1 41 GLY QA 1 42 ILE H 3.500 . 3.500 2.316 2.150 2.432 . 0 0 "[ . 1 . 2 . 3 .]" 1
469 1 41 GLY QA 1 42 ILE HA 7.000 . 7.000 3.872 3.718 3.929 . 0 0 "[ . 1 . 2 . 3 .]" 1
470 1 41 GLY QA 1 42 ILE HB 7.000 . 7.000 4.019 3.499 4.234 . 0 0 "[ . 1 . 2 . 3 .]" 1
471 1 41 GLY QA 1 43 TYR QE 5.000 . 5.000 3.769 2.977 5.099 0.099 8 0 "[ . 1 . 2 . 3 .]" 1
472 1 42 ILE H 1 42 ILE HB 3.500 . 3.500 2.960 2.494 3.323 . 0 0 "[ . 1 . 2 . 3 .]" 1
473 1 42 ILE H 1 42 ILE QG 5.000 . 5.000 4.288 4.124 4.397 . 0 0 "[ . 1 . 2 . 3 .]" 1
474 1 42 ILE H 1 42 ILE MG 3.500 . 3.500 2.703 2.320 2.998 . 0 0 "[ . 1 . 2 . 3 .]" 1
475 1 42 ILE H 1 64 ARG QD 7.000 . 7.000 5.309 3.139 6.158 . 0 0 "[ . 1 . 2 . 3 .]" 1
476 1 42 ILE H 1 64 ARG HE 5.000 . 5.000 4.788 3.554 5.043 0.043 5 0 "[ . 1 . 2 . 3 .]" 1
477 1 42 ILE H 1 65 VAL H 5.000 . 5.000 3.460 2.968 4.085 . 0 0 "[ . 1 . 2 . 3 .]" 1
478 1 42 ILE HA 1 42 ILE MD 2.800 . 2.800 2.041 1.960 2.172 . 0 0 "[ . 1 . 2 . 3 .]" 1
479 1 42 ILE HA 1 42 ILE MG 3.500 . 3.500 3.224 3.183 3.275 . 0 0 "[ . 1 . 2 . 3 .]" 1
480 1 42 ILE HA 1 65 VAL QG 5.000 . 5.000 4.302 3.923 4.915 . 0 0 "[ . 1 . 2 . 3 .]" 1
481 1 42 ILE HB 1 42 ILE MD 3.500 . 3.500 2.347 2.262 2.389 . 0 0 "[ . 1 . 2 . 3 .]" 1
482 1 42 ILE HB 1 42 ILE QG 2.800 . 2.800 2.410 2.385 2.435 . 0 0 "[ . 1 . 2 . 3 .]" 1
483 1 42 ILE HB 1 43 TYR H 5.000 . 5.000 4.116 4.042 4.232 . 0 0 "[ . 1 . 2 . 3 .]" 1
484 1 42 ILE HB 1 65 VAL H 7.000 . 7.000 5.614 5.404 5.857 . 0 0 "[ . 1 . 2 . 3 .]" 1
485 1 42 ILE HB 1 65 VAL HB 7.000 . 7.000 5.367 3.909 7.049 0.049 13 0 "[ . 1 . 2 . 3 .]" 1
486 1 42 ILE HB 1 65 VAL QG 5.000 . 5.000 4.025 3.603 4.505 . 0 0 "[ . 1 . 2 . 3 .]" 1
487 1 42 ILE HB 1 78 HIS HA 7.000 . 7.000 5.336 4.683 5.816 . 0 0 "[ . 1 . 2 . 3 .]" 1
488 1 42 ILE HB 1 81 ALA MB 7.000 . 7.000 2.199 2.086 2.319 . 0 0 "[ . 1 . 2 . 3 .]" 1
489 1 42 ILE MD 1 43 TYR H 3.500 . 3.500 3.118 2.889 3.336 . 0 0 "[ . 1 . 2 . 3 .]" 1
490 1 42 ILE MD 1 43 TYR QD 3.500 . 3.500 3.615 3.427 3.746 0.246 17 0 "[ . 1 . 2 . 3 .]" 1
491 1 42 ILE MD 1 76 ALA MB 5.000 . 5.000 3.912 3.345 4.490 . 0 0 "[ . 1 . 2 . 3 .]" 1
492 1 42 ILE MD 1 77 THR H 5.000 . 5.000 4.752 4.197 5.026 0.026 11 0 "[ . 1 . 2 . 3 .]" 1
493 1 42 ILE MD 1 77 THR HA 5.000 . 5.000 3.816 3.227 4.278 . 0 0 "[ . 1 . 2 . 3 .]" 1
494 1 42 ILE MD 1 78 HIS HA 2.800 . 2.800 2.474 2.006 2.762 . 0 0 "[ . 1 . 2 . 3 .]" 1
495 1 42 ILE MD 1 78 HIS QB 5.000 . 5.000 3.606 2.924 3.992 . 0 0 "[ . 1 . 2 . 3 .]" 1
496 1 42 ILE MD 1 81 ALA H 3.500 . 3.500 3.686 3.608 3.761 0.261 6 0 "[ . 1 . 2 . 3 .]" 1
497 1 42 ILE MD 1 81 ALA MB 2.800 . 2.800 2.028 1.935 2.160 . 0 0 "[ . 1 . 2 . 3 .]" 1
498 1 42 ILE QG 1 42 ILE MG 2.800 . 2.800 2.010 1.960 2.080 . 0 0 "[ . 1 . 2 . 3 .]" 1
499 1 42 ILE QG 1 44 VAL HA 5.000 . 5.000 5.065 4.899 5.220 0.220 13 0 "[ . 1 . 2 . 3 .]" 1
500 1 42 ILE QG 1 65 VAL QG 3.500 . 3.500 3.769 3.625 3.874 0.374 32 0 "[ . 1 . 2 . 3 .]" 1
501 1 42 ILE QG 1 81 ALA MB 3.500 . 3.500 2.099 2.043 2.178 . 0 0 "[ . 1 . 2 . 3 .]" 1
502 1 42 ILE MG 1 43 TYR H 3.500 . 3.500 3.069 2.856 3.283 . 0 0 "[ . 1 . 2 . 3 .]" 1
503 1 42 ILE MG 1 43 TYR HA 5.000 . 5.000 3.762 3.639 3.945 . 0 0 "[ . 1 . 2 . 3 .]" 1
504 1 42 ILE MG 1 43 TYR QD 7.000 . 7.000 4.727 4.621 4.926 . 0 0 "[ . 1 . 2 . 3 .]" 1
505 1 42 ILE MG 1 44 VAL H 5.000 . 5.000 5.021 4.891 5.107 0.107 13 0 "[ . 1 . 2 . 3 .]" 1
506 1 42 ILE MG 1 65 VAL HA 5.000 . 5.000 4.662 4.189 5.059 0.059 10 0 "[ . 1 . 2 . 3 .]" 1
507 1 42 ILE MG 1 81 ALA MB 2.800 . 2.800 2.110 1.983 2.342 . 0 0 "[ . 1 . 2 . 3 .]" 1
508 1 42 ILE MG 1 82 VAL HA 5.000 . 5.000 5.170 5.051 5.308 0.308 8 0 "[ . 1 . 2 . 3 .]" 1
509 1 42 ILE MG 1 84 THR HB 7.000 . 7.000 4.945 4.635 5.197 . 0 0 "[ . 1 . 2 . 3 .]" 1
510 1 43 TYR H 1 43 TYR QB 3.500 . 3.500 2.541 2.444 2.684 . 0 0 "[ . 1 . 2 . 3 .]" 1
511 1 43 TYR H 1 43 TYR QD 5.000 . 5.000 2.713 2.499 2.896 . 0 0 "[ . 1 . 2 . 3 .]" 1
512 1 43 TYR H 1 43 TYR QE 5.000 . 5.000 4.862 4.549 5.044 0.044 6 0 "[ . 1 . 2 . 3 .]" 1
513 1 43 TYR H 1 44 VAL H 5.000 . 5.000 4.432 4.370 4.489 . 0 0 "[ . 1 . 2 . 3 .]" 1
514 1 43 TYR HA 1 44 VAL H 2.800 . 2.800 2.432 2.353 2.517 . 0 0 "[ . 1 . 2 . 3 .]" 1
515 1 43 TYR HA 1 44 VAL HB 7.000 . 7.000 4.912 4.491 5.264 . 0 0 "[ . 1 . 2 . 3 .]" 1
516 1 43 TYR HA 1 44 VAL QG 3.500 . 3.500 3.428 3.020 3.621 0.121 8 0 "[ . 1 . 2 . 3 .]" 1
517 1 43 TYR HA 1 64 ARG H 5.000 . 5.000 4.958 4.739 5.135 0.135 8 0 "[ . 1 . 2 . 3 .]" 1
518 1 43 TYR HA 1 64 ARG HA 5.000 . 5.000 2.541 2.156 3.087 . 0 0 "[ . 1 . 2 . 3 .]" 1
519 1 43 TYR HA 1 64 ARG QB 7.000 . 7.000 4.538 3.648 5.036 . 0 0 "[ . 1 . 2 . 3 .]" 1
520 1 43 TYR HA 1 65 VAL H 5.000 . 5.000 2.635 2.396 2.799 . 0 0 "[ . 1 . 2 . 3 .]" 1
521 1 43 TYR HA 1 65 VAL HA 5.000 . 5.000 5.236 5.051 5.382 0.382 3 0 "[ . 1 . 2 . 3 .]" 1
522 1 43 TYR HA 1 65 VAL QG 3.500 . 3.500 2.685 2.257 3.314 . 0 0 "[ . 1 . 2 . 3 .]" 1
523 1 43 TYR QB 1 44 VAL H 3.500 . 3.500 2.736 2.460 2.930 . 0 0 "[ . 1 . 2 . 3 .]" 1
524 1 43 TYR QD 1 44 VAL H 7.000 . 7.000 4.108 3.831 4.472 . 0 0 "[ . 1 . 2 . 3 .]" 1
525 1 43 TYR QD 1 64 ARG H 5.000 . 5.000 4.367 4.014 4.901 . 0 0 "[ . 1 . 2 . 3 .]" 1
526 1 43 TYR QE 1 44 VAL H 7.000 . 7.000 6.171 5.971 6.519 . 0 0 "[ . 1 . 2 . 3 .]" 1
527 1 43 TYR QE 1 64 ARG H 7.000 . 7.000 4.995 4.363 5.848 . 0 0 "[ . 1 . 2 . 3 .]" 1
528 1 43 TYR QE 1 64 ARG QD 7.000 . 7.000 3.629 2.422 4.721 . 0 0 "[ . 1 . 2 . 3 .]" 1
529 1 44 VAL H 1 44 VAL HB 2.800 . 2.800 2.510 2.129 2.822 0.022 27 0 "[ . 1 . 2 . 3 .]" 1
530 1 44 VAL H 1 44 VAL QG 2.800 . 2.800 2.066 1.831 2.292 . 0 0 "[ . 1 . 2 . 3 .]" 1
531 1 44 VAL H 1 45 LYS H 7.000 . 7.000 4.510 4.365 4.599 . 0 0 "[ . 1 . 2 . 3 .]" 1
532 1 44 VAL H 1 47 ILE MD 5.000 . 5.000 5.237 5.122 5.367 0.367 9 0 "[ . 1 . 2 . 3 .]" 1
533 1 44 VAL H 1 63 ASP H 7.000 . 7.000 3.668 2.982 4.265 . 0 0 "[ . 1 . 2 . 3 .]" 1
534 1 44 VAL HA 1 44 VAL QG 2.800 . 2.800 2.062 1.982 2.257 . 0 0 "[ . 1 . 2 . 3 .]" 1
535 1 44 VAL HA 1 45 LYS H 2.800 . 2.800 2.219 2.158 2.276 . 0 0 "[ . 1 . 2 . 3 .]" 1
536 1 44 VAL HA 1 45 LYS QB 5.000 . 5.000 4.126 3.978 4.241 . 0 0 "[ . 1 . 2 . 3 .]" 1
537 1 44 VAL HA 1 46 ALA H 5.000 . 5.000 4.000 3.617 4.644 . 0 0 "[ . 1 . 2 . 3 .]" 1
538 1 44 VAL HA 1 47 ILE H 7.000 . 7.000 6.967 6.532 7.096 0.096 28 0 "[ . 1 . 2 . 3 .]" 1
539 1 44 VAL HB 1 45 LYS QB 7.000 . 7.000 5.610 5.312 5.851 . 0 0 "[ . 1 . 2 . 3 .]" 1
540 1 44 VAL HB 1 59 ILE MG 5.000 . 5.000 3.898 3.253 4.686 . 0 0 "[ . 1 . 2 . 3 .]" 1
541 1 44 VAL HB 1 61 LYS HA 3.500 . 3.500 3.002 2.177 3.585 0.085 34 0 "[ . 1 . 2 . 3 .]" 1
542 1 44 VAL HB 1 62 GLY H 5.000 . 5.000 2.841 1.885 4.078 . 0 0 "[ . 1 . 2 . 3 .]" 1
543 1 44 VAL HB 1 63 ASP H 3.500 . 3.500 3.077 2.611 3.580 0.080 26 0 "[ . 1 . 2 . 3 .]" 1
544 1 44 VAL HB 1 63 ASP QB 5.000 . 5.000 3.814 2.875 4.589 . 0 0 "[ . 1 . 2 . 3 .]" 1
545 1 44 VAL QG 1 45 LYS H 5.000 . 5.000 2.609 2.355 3.134 . 0 0 "[ . 1 . 2 . 3 .]" 1
546 1 44 VAL QG 1 46 ALA H 3.500 . 3.500 2.615 2.274 3.250 . 0 0 "[ . 1 . 2 . 3 .]" 1
547 1 44 VAL QG 1 47 ILE MD 3.500 . 3.500 1.798 1.758 1.827 . 0 0 "[ . 1 . 2 . 3 .]" 1
548 1 44 VAL QG 1 61 LYS H 5.000 . 5.000 4.634 3.960 5.032 0.032 34 0 "[ . 1 . 2 . 3 .]" 1
549 1 44 VAL QG 1 61 LYS HA 2.800 . 2.800 2.679 1.953 2.952 0.152 34 0 "[ . 1 . 2 . 3 .]" 1
550 1 44 VAL QG 1 61 LYS QB 7.000 . 7.000 3.645 2.794 4.314 . 0 0 "[ . 1 . 2 . 3 .]" 1
551 1 44 VAL QG 1 62 GLY H 5.000 . 5.000 3.432 2.564 4.346 . 0 0 "[ . 1 . 2 . 3 .]" 1
552 1 44 VAL QG 1 63 ASP H 3.500 . 3.500 3.338 2.562 3.602 0.102 32 0 "[ . 1 . 2 . 3 .]" 1
553 1 44 VAL QG 1 63 ASP QB 2.800 . 2.800 2.871 2.577 3.038 0.238 8 0 "[ . 1 . 2 . 3 .]" 1
554 1 45 LYS H 1 45 LYS QB 3.500 . 3.500 2.286 2.139 2.389 . 0 0 "[ . 1 . 2 . 3 .]" 1
555 1 45 LYS H 1 45 LYS QG 5.000 . 5.000 4.018 3.853 4.122 . 0 0 "[ . 1 . 2 . 3 .]" 1
556 1 45 LYS H 1 46 ALA H 3.500 . 3.500 2.365 2.096 2.688 . 0 0 "[ . 1 . 2 . 3 .]" 1
557 1 45 LYS HA 1 45 LYS QB 2.800 . 2.800 2.461 2.284 2.539 . 0 0 "[ . 1 . 2 . 3 .]" 1
558 1 45 LYS HA 1 45 LYS QD 3.500 . 3.500 2.712 2.053 3.617 0.117 8 0 "[ . 1 . 2 . 3 .]" 1
559 1 45 LYS QB 1 46 ALA H 3.500 . 3.500 2.452 1.958 2.818 . 0 0 "[ . 1 . 2 . 3 .]" 1
560 1 45 LYS QE 1 46 ALA MB 7.000 . 7.000 4.539 2.910 5.538 . 0 0 "[ . 1 . 2 . 3 .]" 1
561 1 45 LYS QG 1 46 ALA H 7.000 . 7.000 4.097 3.346 4.693 . 0 0 "[ . 1 . 2 . 3 .]" 1
562 1 46 ALA H 1 46 ALA HA 2.800 . 2.800 2.901 2.849 2.927 0.127 35 0 "[ . 1 . 2 . 3 .]" 1
563 1 46 ALA H 1 46 ALA MB 3.500 . 3.500 2.579 2.281 2.777 . 0 0 "[ . 1 . 2 . 3 .]" 1
564 1 46 ALA H 1 47 ILE H 7.000 . 7.000 4.262 4.153 4.389 . 0 0 "[ . 1 . 2 . 3 .]" 1
565 1 46 ALA HA 1 47 ILE H 2.800 . 2.800 2.134 2.043 2.191 . 0 0 "[ . 1 . 2 . 3 .]" 1
566 1 46 ALA HA 1 61 LYS QD 3.500 . 3.500 2.650 2.109 3.431 . 0 0 "[ . 1 . 2 . 3 .]" 1
567 1 46 ALA MB 1 47 ILE H 3.500 . 3.500 3.019 2.648 3.308 . 0 0 "[ . 1 . 2 . 3 .]" 1
568 1 46 ALA MB 1 47 ILE HB 7.000 . 7.000 4.912 4.671 5.218 . 0 0 "[ . 1 . 2 . 3 .]" 1
569 1 46 ALA MB 1 61 LYS QD 3.500 . 3.500 3.461 2.892 3.727 0.227 34 0 "[ . 1 . 2 . 3 .]" 1
570 1 47 ILE H 1 47 ILE HB 2.800 . 2.800 2.411 2.254 2.545 . 0 0 "[ . 1 . 2 . 3 .]" 1
571 1 47 ILE H 1 47 ILE MD 3.500 . 3.500 3.516 3.279 3.627 0.127 26 0 "[ . 1 . 2 . 3 .]" 1
572 1 47 ILE H 1 47 ILE QG 3.500 . 3.500 2.463 2.328 2.706 . 0 0 "[ . 1 . 2 . 3 .]" 1
573 1 47 ILE H 1 48 ILE H 5.000 . 5.000 4.435 4.240 4.561 . 0 0 "[ . 1 . 2 . 3 .]" 1
574 1 47 ILE HA 1 47 ILE MD 2.800 . 2.800 2.066 1.983 2.224 . 0 0 "[ . 1 . 2 . 3 .]" 1
575 1 47 ILE HA 1 47 ILE QG 3.500 . 3.500 3.046 2.978 3.127 . 0 0 "[ . 1 . 2 . 3 .]" 1
576 1 47 ILE HA 1 47 ILE MG 2.800 . 2.800 2.419 2.331 2.556 . 0 0 "[ . 1 . 2 . 3 .]" 1
577 1 47 ILE HA 1 48 ILE H 2.800 . 2.800 2.209 2.144 2.296 . 0 0 "[ . 1 . 2 . 3 .]" 1
578 1 47 ILE HB 1 47 ILE MD 3.500 . 3.500 3.268 3.234 3.292 . 0 0 "[ . 1 . 2 . 3 .]" 1
579 1 47 ILE HB 1 47 ILE QG 2.800 . 2.800 2.171 2.153 2.185 . 0 0 "[ . 1 . 2 . 3 .]" 1
580 1 47 ILE HB 1 48 ILE H 5.000 . 5.000 4.191 3.953 4.382 . 0 0 "[ . 1 . 2 . 3 .]" 1
581 1 47 ILE MD 1 47 ILE MG 2.800 . 2.800 2.121 2.063 2.199 . 0 0 "[ . 1 . 2 . 3 .]" 1
582 1 47 ILE MD 1 48 ILE H 3.500 . 3.500 3.773 3.669 3.869 0.369 13 0 "[ . 1 . 2 . 3 .]" 1
583 1 47 ILE MD 1 53 ALA MB 3.500 . 3.500 3.230 2.874 3.546 0.046 16 0 "[ . 1 . 2 . 3 .]" 1
584 1 47 ILE MD 1 59 ILE HB 5.000 . 5.000 3.009 2.211 4.093 . 0 0 "[ . 1 . 2 . 3 .]" 1
585 1 47 ILE MD 1 59 ILE MG 2.800 . 2.800 2.258 1.958 2.886 0.086 1 0 "[ . 1 . 2 . 3 .]" 1
586 1 47 ILE MD 1 60 HIS HA 3.500 . 3.500 3.490 2.608 3.712 0.212 25 0 "[ . 1 . 2 . 3 .]" 1
587 1 47 ILE MD 1 61 LYS HA 3.500 . 3.500 3.447 3.055 3.605 0.105 28 0 "[ . 1 . 2 . 3 .]" 1
588 1 47 ILE QG 1 47 ILE MG 2.800 . 2.800 2.277 2.211 2.342 . 0 0 "[ . 1 . 2 . 3 .]" 1
589 1 47 ILE QG 1 60 HIS HA 5.000 . 5.000 2.369 1.984 2.900 . 0 0 "[ . 1 . 2 . 3 .]" 1
590 1 47 ILE MG 1 48 ILE H 3.500 . 3.500 2.706 2.412 3.004 . 0 0 "[ . 1 . 2 . 3 .]" 1
591 1 47 ILE MG 1 54 GLU H 3.500 . 3.500 3.199 2.972 3.476 . 0 0 "[ . 1 . 2 . 3 .]" 1
592 1 47 ILE MG 1 54 GLU HA 2.800 . 2.800 2.765 2.383 2.938 0.138 34 0 "[ . 1 . 2 . 3 .]" 1
593 1 47 ILE MG 1 54 GLU QB 3.500 . 3.500 2.054 1.846 2.421 . 0 0 "[ . 1 . 2 . 3 .]" 1
594 1 47 ILE MG 1 54 GLU QG 2.800 . 2.800 2.798 2.153 3.148 0.348 11 0 "[ . 1 . 2 . 3 .]" 1
595 1 47 ILE MG 1 55 SER H 5.000 . 5.000 4.964 4.770 5.106 0.106 19 0 "[ . 1 . 2 . 3 .]" 1
596 1 48 ILE H 1 48 ILE HB 3.500 . 3.500 3.151 2.107 3.707 0.207 6 0 "[ . 1 . 2 . 3 .]" 1
597 1 48 ILE H 1 48 ILE MD 3.500 . 3.500 3.566 3.419 3.670 0.170 1 0 "[ . 1 . 2 . 3 .]" 1
598 1 48 ILE H 1 48 ILE QG 3.500 . 3.500 2.120 1.861 2.563 . 0 0 "[ . 1 . 2 . 3 .]" 1
599 1 48 ILE H 1 48 ILE MG 3.500 . 3.500 2.905 2.239 3.755 0.255 4 0 "[ . 1 . 2 . 3 .]" 1
600 1 48 ILE HA 1 48 ILE QG 3.500 . 3.500 2.952 2.220 3.355 . 0 0 "[ . 1 . 2 . 3 .]" 1
601 1 48 ILE HA 1 48 ILE MG 2.800 . 2.800 2.283 2.048 2.687 . 0 0 "[ . 1 . 2 . 3 .]" 1
602 1 48 ILE HA 1 49 PRO QD 2.800 . 2.800 2.051 1.901 2.189 . 0 0 "[ . 1 . 2 . 3 .]" 1
603 1 48 ILE HB 1 48 ILE MD 3.500 . 3.500 2.432 2.157 2.613 . 0 0 "[ . 1 . 2 . 3 .]" 1
604 1 48 ILE MD 1 48 ILE MG 3.500 . 3.500 2.037 1.959 2.111 . 0 0 "[ . 1 . 2 . 3 .]" 1
605 1 48 ILE MD 1 49 PRO HA 7.000 . 7.000 6.012 5.486 6.501 . 0 0 "[ . 1 . 2 . 3 .]" 1
606 1 48 ILE MD 1 52 ALA H 5.000 . 5.000 4.641 4.027 5.098 0.098 17 0 "[ . 1 . 2 . 3 .]" 1
607 1 48 ILE MD 1 55 SER H 7.000 . 7.000 7.202 7.111 7.330 0.330 35 0 "[ . 1 . 2 . 3 .]" 1
608 1 48 ILE QG 1 48 ILE MG 2.800 . 2.800 2.512 2.343 2.624 . 0 0 "[ . 1 . 2 . 3 .]" 1
609 1 48 ILE QG 1 51 GLY H 5.000 . 5.000 4.059 2.807 5.191 0.191 4 0 "[ . 1 . 2 . 3 .]" 1
610 1 48 ILE MG 1 49 PRO QD 2.800 . 2.800 2.777 2.156 3.068 0.268 26 0 "[ . 1 . 2 . 3 .]" 1
611 1 48 ILE MG 1 49 PRO QG 7.000 . 7.000 4.269 2.972 4.822 . 0 0 "[ . 1 . 2 . 3 .]" 1
612 1 49 PRO HA 1 49 PRO QD 3.500 . 3.500 3.360 3.149 3.482 . 0 0 "[ . 1 . 2 . 3 .]" 1
613 1 49 PRO HA 1 49 PRO QG 3.500 . 3.500 3.362 2.718 3.566 0.066 21 0 "[ . 1 . 2 . 3 .]" 1
614 1 49 PRO HA 1 50 LYS H 2.800 . 2.800 2.284 2.054 2.576 . 0 0 "[ . 1 . 2 . 3 .]" 1
615 1 49 PRO HA 1 50 LYS HA 5.000 . 5.000 4.222 4.052 4.396 . 0 0 "[ . 1 . 2 . 3 .]" 1
616 1 49 PRO HA 1 50 LYS QG 7.000 . 7.000 3.988 3.127 5.045 . 0 0 "[ . 1 . 2 . 3 .]" 1
617 1 49 PRO HA 1 51 GLY H 5.000 . 5.000 4.757 3.757 5.170 0.170 33 0 "[ . 1 . 2 . 3 .]" 1
618 1 49 PRO QB 1 49 PRO QD 3.500 . 3.500 2.667 2.577 2.741 . 0 0 "[ . 1 . 2 . 3 .]" 1
619 1 49 PRO QB 1 50 LYS H 5.000 . 5.000 3.858 3.564 4.079 . 0 0 "[ . 1 . 2 . 3 .]" 1
620 1 49 PRO QB 1 50 LYS QG 5.000 . 5.000 4.018 3.093 5.019 0.019 11 0 "[ . 1 . 2 . 3 .]" 1
621 1 49 PRO QD 1 50 LYS QG 7.000 . 7.000 5.093 3.021 6.556 . 0 0 "[ . 1 . 2 . 3 .]" 1
622 1 50 LYS H 1 50 LYS HA 2.800 . 2.800 2.399 2.030 2.946 0.146 13 0 "[ . 1 . 2 . 3 .]" 1
623 1 50 LYS H 1 50 LYS QB 3.500 . 3.500 3.213 2.475 3.547 0.047 22 0 "[ . 1 . 2 . 3 .]" 1
624 1 50 LYS H 1 50 LYS QG 3.500 . 3.500 2.998 2.375 3.546 0.046 18 0 "[ . 1 . 2 . 3 .]" 1
625 1 50 LYS H 1 51 GLY H 3.500 . 3.500 2.852 1.662 3.493 . 0 0 "[ . 1 . 2 . 3 .]" 1
626 1 50 LYS HA 1 50 LYS QB 2.800 . 2.800 2.320 2.037 2.500 . 0 0 "[ . 1 . 2 . 3 .]" 1
627 1 50 LYS HA 1 50 LYS QG 3.500 . 3.500 2.699 2.114 3.424 . 0 0 "[ . 1 . 2 . 3 .]" 1
628 1 51 GLY H 1 51 GLY QA 2.800 . 2.800 2.280 2.073 2.466 . 0 0 "[ . 1 . 2 . 3 .]" 1
629 1 51 GLY H 1 52 ALA H 5.000 . 5.000 3.272 1.812 4.246 . 0 0 "[ . 1 . 2 . 3 .]" 1
630 1 51 GLY H 1 52 ALA MB 5.000 . 5.000 4.904 3.726 5.348 0.348 1 0 "[ . 1 . 2 . 3 .]" 1
631 1 51 GLY H 1 54 GLU QB 3.500 . 3.500 3.040 2.058 3.659 0.159 11 0 "[ . 1 . 2 . 3 .]" 1
632 1 51 GLY QA 1 52 ALA H 2.800 . 2.800 2.307 2.082 2.872 0.072 8 0 "[ . 1 . 2 . 3 .]" 1
633 1 52 ALA H 1 52 ALA MB 2.800 . 2.800 2.400 2.030 2.809 0.009 35 0 "[ . 1 . 2 . 3 .]" 1
634 1 52 ALA H 1 53 ALA H 3.500 . 3.500 2.224 1.789 3.297 . 0 0 "[ . 1 . 2 . 3 .]" 1
635 1 52 ALA H 1 54 GLU H 7.000 . 7.000 3.761 2.641 4.680 . 0 0 "[ . 1 . 2 . 3 .]" 1
636 1 52 ALA HA 1 53 ALA H 3.500 . 3.500 3.552 3.504 3.594 0.094 11 0 "[ . 1 . 2 . 3 .]" 1
637 1 52 ALA HA 1 54 GLU H 5.000 . 5.000 4.871 4.455 5.040 0.040 25 0 "[ . 1 . 2 . 3 .]" 1
638 1 52 ALA HA 1 55 SER H 5.000 . 5.000 3.695 3.256 4.084 . 0 0 "[ . 1 . 2 . 3 .]" 1
639 1 52 ALA MB 1 53 ALA H 2.800 . 2.800 2.487 2.193 2.680 . 0 0 "[ . 1 . 2 . 3 .]" 1
640 1 52 ALA MB 1 53 ALA MB 3.500 . 3.500 3.542 3.438 3.598 0.098 21 0 "[ . 1 . 2 . 3 .]" 1
641 1 52 ALA MB 1 54 GLU H 7.000 . 7.000 4.760 4.160 4.971 . 0 0 "[ . 1 . 2 . 3 .]" 1
642 1 52 ALA MB 1 55 SER H 7.000 . 7.000 4.657 4.312 4.960 . 0 0 "[ . 1 . 2 . 3 .]" 1
643 1 53 ALA H 1 53 ALA MB 2.800 . 2.800 2.155 2.111 2.214 . 0 0 "[ . 1 . 2 . 3 .]" 1
644 1 53 ALA H 1 54 GLU H 5.000 . 5.000 2.876 2.655 3.117 . 0 0 "[ . 1 . 2 . 3 .]" 1
645 1 53 ALA HA 1 56 ASP H 3.500 . 3.500 3.484 3.201 3.563 0.063 12 0 "[ . 1 . 2 . 3 .]" 1
646 1 53 ALA HA 1 56 ASP QB 3.500 . 3.500 3.503 3.069 3.669 0.169 15 0 "[ . 1 . 2 . 3 .]" 1
647 1 53 ALA MB 1 54 GLU H 3.500 . 3.500 2.565 2.311 2.901 . 0 0 "[ . 1 . 2 . 3 .]" 1
648 1 53 ALA MB 1 54 GLU QG 7.000 . 7.000 5.370 4.819 5.740 . 0 0 "[ . 1 . 2 . 3 .]" 1
649 1 53 ALA MB 1 55 SER H 7.000 . 7.000 4.329 4.155 4.520 . 0 0 "[ . 1 . 2 . 3 .]" 1
650 1 53 ALA MB 1 56 ASP H 5.000 . 5.000 4.581 4.433 4.742 . 0 0 "[ . 1 . 2 . 3 .]" 1
651 1 53 ALA MB 1 57 GLY H 7.000 . 7.000 5.725 4.808 6.183 . 0 0 "[ . 1 . 2 . 3 .]" 1
652 1 53 ALA MB 1 59 ILE MD 2.800 . 2.800 2.221 1.984 2.666 . 0 0 "[ . 1 . 2 . 3 .]" 1
653 1 54 GLU H 1 54 GLU QB 3.500 . 3.500 2.203 1.977 2.313 . 0 0 "[ . 1 . 2 . 3 .]" 1
654 1 54 GLU H 1 54 GLU QG 5.000 . 5.000 3.938 3.122 4.013 . 0 0 "[ . 1 . 2 . 3 .]" 1
655 1 54 GLU H 1 55 SER H 5.000 . 5.000 2.631 2.423 2.848 . 0 0 "[ . 1 . 2 . 3 .]" 1
656 1 54 GLU H 1 56 ASP H 5.000 . 5.000 4.369 4.102 4.499 . 0 0 "[ . 1 . 2 . 3 .]" 1
657 1 54 GLU HA 1 54 GLU QB 2.800 . 2.800 2.383 2.128 2.440 . 0 0 "[ . 1 . 2 . 3 .]" 1
658 1 54 GLU HA 1 54 GLU QG 3.500 . 3.500 2.654 2.253 3.539 0.039 11 0 "[ . 1 . 2 . 3 .]" 1
659 1 54 GLU QB 1 55 SER H 3.500 . 3.500 2.697 2.334 3.540 0.040 11 0 "[ . 1 . 2 . 3 .]" 1
660 1 54 GLU QB 1 56 ASP H 7.000 . 7.000 4.788 4.617 5.109 . 0 0 "[ . 1 . 2 . 3 .]" 1
661 1 54 GLU QG 1 55 SER H 5.000 . 5.000 3.737 2.984 3.914 . 0 0 "[ . 1 . 2 . 3 .]" 1
662 1 54 GLU QG 1 55 SER HA 3.500 . 3.500 3.620 3.448 3.766 0.266 18 0 "[ . 1 . 2 . 3 .]" 1
663 1 55 SER H 1 55 SER QB 2.800 . 2.800 2.336 2.154 2.611 . 0 0 "[ . 1 . 2 . 3 .]" 1
664 1 55 SER H 1 56 ASP H 3.500 . 3.500 2.959 2.792 3.178 . 0 0 "[ . 1 . 2 . 3 .]" 1
665 1 55 SER H 1 56 ASP QB 5.000 . 5.000 4.662 4.435 4.873 . 0 0 "[ . 1 . 2 . 3 .]" 1
666 1 55 SER H 1 57 GLY H 7.000 . 7.000 5.439 4.520 6.339 . 0 0 "[ . 1 . 2 . 3 .]" 1
667 1 55 SER HA 1 55 SER QB 2.800 . 2.800 2.384 2.098 2.497 . 0 0 "[ . 1 . 2 . 3 .]" 1
668 1 55 SER QB 1 56 ASP H 3.500 . 3.500 3.539 3.207 3.829 0.329 35 0 "[ . 1 . 2 . 3 .]" 1
669 1 56 ASP H 1 56 ASP QB 2.800 . 2.800 2.188 2.044 2.415 . 0 0 "[ . 1 . 2 . 3 .]" 1
670 1 56 ASP H 1 57 GLY H 3.500 . 3.500 2.967 2.446 3.406 . 0 0 "[ . 1 . 2 . 3 .]" 1
671 1 56 ASP HA 1 56 ASP QB 2.800 . 2.800 2.344 2.282 2.474 . 0 0 "[ . 1 . 2 . 3 .]" 1
672 1 56 ASP HA 1 57 GLY H 5.000 . 5.000 3.524 3.457 3.620 . 0 0 "[ . 1 . 2 . 3 .]" 1
673 1 56 ASP QB 1 57 GLY H 3.500 . 3.500 1.980 1.775 2.425 . 0 0 "[ . 1 . 2 . 3 .]" 1
674 1 56 ASP QB 1 58 ARG H 5.000 . 5.000 3.454 2.982 4.688 . 0 0 "[ . 1 . 2 . 3 .]" 1
675 1 57 GLY H 1 57 GLY QA 2.800 . 2.800 2.383 2.186 2.503 . 0 0 "[ . 1 . 2 . 3 .]" 1
676 1 57 GLY H 1 58 ARG H 3.500 . 3.500 2.355 1.902 3.226 . 0 0 "[ . 1 . 2 . 3 .]" 1
677 1 57 GLY H 1 58 ARG QB 7.000 . 7.000 4.188 3.769 5.176 . 0 0 "[ . 1 . 2 . 3 .]" 1
678 1 57 GLY H 1 58 ARG QG 7.000 . 7.000 4.658 3.934 5.591 . 0 0 "[ . 1 . 2 . 3 .]" 1
679 1 57 GLY H 1 59 ILE H 7.000 . 7.000 2.870 2.461 4.176 . 0 0 "[ . 1 . 2 . 3 .]" 1
680 1 57 GLY H 1 59 ILE HA 7.000 . 7.000 5.556 4.994 6.562 . 0 0 "[ . 1 . 2 . 3 .]" 1
681 1 57 GLY H 1 59 ILE MG 7.000 . 7.000 5.363 4.784 6.139 . 0 0 "[ . 1 . 2 . 3 .]" 1
682 1 57 GLY H 1 96 LEU QD 5.000 . 5.000 5.261 5.116 5.391 0.391 22 0 "[ . 1 . 2 . 3 .]" 1
683 1 57 GLY QA 1 58 ARG H 5.000 . 5.000 2.798 2.140 2.994 . 0 0 "[ . 1 . 2 . 3 .]" 1
684 1 58 ARG H 1 58 ARG QB 3.500 . 3.500 2.231 2.012 2.438 . 0 0 "[ . 1 . 2 . 3 .]" 1
685 1 58 ARG H 1 58 ARG HE 5.000 . 5.000 4.160 2.810 5.146 0.146 9 0 "[ . 1 . 2 . 3 .]" 1
686 1 58 ARG H 1 58 ARG QG 2.800 . 2.800 2.622 2.171 2.959 0.159 20 0 "[ . 1 . 2 . 3 .]" 1
687 1 58 ARG H 1 59 ILE H 3.500 . 3.500 2.501 2.159 3.120 . 0 0 "[ . 1 . 2 . 3 .]" 1
688 1 58 ARG HA 1 58 ARG QB 2.800 . 2.800 2.435 2.354 2.534 . 0 0 "[ . 1 . 2 . 3 .]" 1
689 1 58 ARG HA 1 58 ARG QG 2.800 . 2.800 2.394 2.198 2.610 . 0 0 "[ . 1 . 2 . 3 .]" 1
690 1 58 ARG QB 1 58 ARG HE 5.000 . 5.000 3.025 1.877 4.108 . 0 0 "[ . 1 . 2 . 3 .]" 1
691 1 58 ARG QB 1 59 ILE H 5.000 . 5.000 2.993 2.552 3.826 . 0 0 "[ . 1 . 2 . 3 .]" 1
692 1 58 ARG HE 1 58 ARG QG 3.500 . 3.500 2.565 2.148 3.357 . 0 0 "[ . 1 . 2 . 3 .]" 1
693 1 59 ILE H 1 59 ILE HB 3.500 . 3.500 2.780 2.214 3.343 . 0 0 "[ . 1 . 2 . 3 .]" 1
694 1 59 ILE H 1 59 ILE MD 3.500 . 3.500 3.499 3.397 3.555 0.055 20 0 "[ . 1 . 2 . 3 .]" 1
695 1 59 ILE H 1 59 ILE QG 2.800 . 2.800 1.794 1.674 2.053 . 0 0 "[ . 1 . 2 . 3 .]" 1
696 1 59 ILE H 1 59 ILE MG 3.500 . 3.500 3.613 3.253 3.715 0.215 31 0 "[ . 1 . 2 . 3 .]" 1
697 1 59 ILE H 1 60 HIS H 7.000 . 7.000 4.545 4.436 4.623 . 0 0 "[ . 1 . 2 . 3 .]" 1
698 1 59 ILE HA 1 59 ILE MG 2.800 . 2.800 2.189 2.048 2.477 . 0 0 "[ . 1 . 2 . 3 .]" 1
699 1 59 ILE HA 1 60 HIS H 2.800 . 2.800 2.168 2.080 2.258 . 0 0 "[ . 1 . 2 . 3 .]" 1
700 1 59 ILE HB 1 59 ILE MD 2.800 . 2.800 2.402 2.257 2.628 . 0 0 "[ . 1 . 2 . 3 .]" 1
701 1 59 ILE MD 1 60 HIS H 5.000 . 5.000 5.056 4.865 5.149 0.149 31 0 "[ . 1 . 2 . 3 .]" 1
702 1 59 ILE MD 1 96 LEU QD 2.800 . 2.800 2.053 1.919 2.822 0.022 1 0 "[ . 1 . 2 . 3 .]" 1
703 1 59 ILE QG 1 96 LEU QD 5.000 . 5.000 2.078 1.856 2.757 . 0 0 "[ . 1 . 2 . 3 .]" 1
704 1 59 ILE MG 1 60 HIS H 3.500 . 3.500 2.432 2.143 2.669 . 0 0 "[ . 1 . 2 . 3 .]" 1
705 1 59 ILE MG 1 60 HIS HA 5.000 . 5.000 3.575 2.881 4.336 . 0 0 "[ . 1 . 2 . 3 .]" 1
706 1 59 ILE MG 1 63 ASP H 5.000 . 5.000 4.038 3.208 5.076 0.076 6 0 "[ . 1 . 2 . 3 .]" 1
707 1 59 ILE MG 1 63 ASP QB 3.500 . 3.500 2.727 2.003 3.641 0.141 33 0 "[ . 1 . 2 . 3 .]" 1
708 1 60 HIS H 1 60 HIS QB 3.500 . 3.500 2.772 2.442 3.225 . 0 0 "[ . 1 . 2 . 3 .]" 1
709 1 60 HIS H 1 61 LYS H 7.000 . 7.000 4.325 4.190 4.429 . 0 0 "[ . 1 . 2 . 3 .]" 1
710 1 60 HIS H 1 63 ASP H 7.000 . 7.000 3.947 3.289 5.458 . 0 0 "[ . 1 . 2 . 3 .]" 1
711 1 60 HIS H 1 63 ASP QB 5.000 . 5.000 3.387 2.790 5.047 0.047 25 0 "[ . 1 . 2 . 3 .]" 1
712 1 60 HIS HA 1 96 LEU QD 7.000 . 7.000 6.168 5.653 6.638 . 0 0 "[ . 1 . 2 . 3 .]" 1
713 1 60 HIS QB 1 61 LYS H 3.500 . 3.500 2.514 1.936 3.236 . 0 0 "[ . 1 . 2 . 3 .]" 1
714 1 61 LYS H 1 61 LYS QB 2.800 . 2.800 2.501 2.205 2.861 0.061 23 0 "[ . 1 . 2 . 3 .]" 1
715 1 61 LYS H 1 61 LYS QG 3.500 . 3.500 2.231 1.854 2.598 . 0 0 "[ . 1 . 2 . 3 .]" 1
716 1 61 LYS H 1 62 GLY H 7.000 . 7.000 3.928 3.057 4.634 . 0 0 "[ . 1 . 2 . 3 .]" 1
717 1 61 LYS H 1 63 ASP H 7.000 . 7.000 5.150 4.608 6.067 . 0 0 "[ . 1 . 2 . 3 .]" 1
718 1 61 LYS HA 1 61 LYS QB 2.800 . 2.800 2.288 2.101 2.450 . 0 0 "[ . 1 . 2 . 3 .]" 1
719 1 61 LYS HA 1 61 LYS QD 5.000 . 5.000 4.098 3.627 4.467 . 0 0 "[ . 1 . 2 . 3 .]" 1
720 1 61 LYS HA 1 61 LYS QG 3.500 . 3.500 2.801 2.294 3.418 . 0 0 "[ . 1 . 2 . 3 .]" 1
721 1 61 LYS HA 1 62 GLY H 2.800 . 2.800 2.412 2.116 2.838 0.038 34 0 "[ . 1 . 2 . 3 .]" 1
722 1 61 LYS HA 1 63 ASP H 7.000 . 7.000 3.888 3.102 4.532 . 0 0 "[ . 1 . 2 . 3 .]" 1
723 1 61 LYS QB 1 63 ASP H 7.000 . 7.000 5.248 4.603 5.862 . 0 0 "[ . 1 . 2 . 3 .]" 1
724 1 61 LYS QE 1 61 LYS QG 2.800 . 2.800 2.384 2.112 2.765 . 0 0 "[ . 1 . 2 . 3 .]" 1
725 1 61 LYS QG 1 62 GLY H 5.000 . 5.000 4.369 3.585 4.618 . 0 0 "[ . 1 . 2 . 3 .]" 1
726 1 62 GLY H 1 62 GLY QA 2.800 . 2.800 2.385 2.129 2.484 . 0 0 "[ . 1 . 2 . 3 .]" 1
727 1 62 GLY H 1 63 ASP H 3.500 . 3.500 2.089 1.643 2.814 . 0 0 "[ . 1 . 2 . 3 .]" 1
728 1 62 GLY QA 1 63 ASP H 3.500 . 3.500 2.895 2.533 3.012 . 0 0 "[ . 1 . 2 . 3 .]" 1
729 1 63 ASP H 1 63 ASP QB 2.800 . 2.800 2.349 2.084 2.557 . 0 0 "[ . 1 . 2 . 3 .]" 1
730 1 63 ASP H 1 64 ARG H 5.000 . 5.000 4.535 4.131 4.624 . 0 0 "[ . 1 . 2 . 3 .]" 1
731 1 63 ASP H 1 99 GLY H 7.000 . 7.000 4.814 3.999 5.454 . 0 0 "[ . 1 . 2 . 3 .]" 1
732 1 63 ASP HA 1 64 ARG H 2.800 . 2.800 2.383 2.233 2.850 0.050 6 0 "[ . 1 . 2 . 3 .]" 1
733 1 63 ASP HA 1 99 GLY H 2.800 . 2.800 2.684 2.209 2.968 0.168 14 0 "[ . 1 . 2 . 3 .]" 1
734 1 63 ASP QB 1 64 ARG H 3.500 . 3.500 2.371 2.023 2.764 . 0 0 "[ . 1 . 2 . 3 .]" 1
735 1 63 ASP QB 1 65 VAL H 5.000 . 5.000 5.072 4.722 5.236 0.236 27 0 "[ . 1 . 2 . 3 .]" 1
736 1 64 ARG H 1 64 ARG QB 3.500 . 3.500 2.265 2.072 2.966 . 0 0 "[ . 1 . 2 . 3 .]" 1
737 1 64 ARG H 1 64 ARG QG 5.000 . 5.000 3.959 2.450 4.455 . 0 0 "[ . 1 . 2 . 3 .]" 1
738 1 64 ARG H 1 96 LEU QD 5.000 . 5.000 3.945 3.124 4.648 . 0 0 "[ . 1 . 2 . 3 .]" 1
739 1 64 ARG H 1 97 GLU QB 3.500 . 3.500 3.521 3.154 3.604 0.104 7 0 "[ . 1 . 2 . 3 .]" 1
740 1 64 ARG H 1 99 GLY H 5.000 . 5.000 3.847 2.559 4.156 . 0 0 "[ . 1 . 2 . 3 .]" 1
741 1 64 ARG HA 1 64 ARG QD 5.000 . 5.000 3.861 2.605 4.216 . 0 0 "[ . 1 . 2 . 3 .]" 1
742 1 64 ARG HA 1 66 LEU QD 5.000 . 5.000 5.040 4.841 5.155 0.155 24 0 "[ . 1 . 2 . 3 .]" 1
743 1 64 ARG QD 1 66 LEU QD 5.000 . 5.000 2.922 2.209 4.228 . 0 0 "[ . 1 . 2 . 3 .]" 1
744 1 64 ARG HE 1 65 VAL H 7.000 . 7.000 5.132 4.130 5.524 . 0 0 "[ . 1 . 2 . 3 .]" 1
745 1 64 ARG HE 1 66 LEU QD 5.000 . 5.000 4.146 3.376 5.058 0.058 25 0 "[ . 1 . 2 . 3 .]" 1
746 1 65 VAL H 1 65 VAL HB 3.500 . 3.500 2.916 2.100 3.440 . 0 0 "[ . 1 . 2 . 3 .]" 1
747 1 65 VAL H 1 65 VAL QG 2.800 . 2.800 2.157 1.934 2.774 . 0 0 "[ . 1 . 2 . 3 .]" 1
748 1 65 VAL H 1 66 LEU H 5.000 . 5.000 4.286 4.094 4.421 . 0 0 "[ . 1 . 2 . 3 .]" 1
749 1 65 VAL H 1 67 ALA H 7.000 . 7.000 6.062 5.808 6.197 . 0 0 "[ . 1 . 2 . 3 .]" 1
750 1 65 VAL H 1 95 LEU QB 7.000 . 7.000 7.188 7.110 7.257 0.257 19 0 "[ . 1 . 2 . 3 .]" 1
751 1 65 VAL HA 1 65 VAL QG 2.800 . 2.800 2.202 2.025 2.502 . 0 0 "[ . 1 . 2 . 3 .]" 1
752 1 65 VAL HA 1 66 LEU H 2.800 . 2.800 2.229 2.073 2.377 . 0 0 "[ . 1 . 2 . 3 .]" 1
753 1 65 VAL HA 1 67 ALA H 5.000 . 5.000 3.899 3.757 4.112 . 0 0 "[ . 1 . 2 . 3 .]" 1
754 1 65 VAL HA 1 96 LEU HA 3.500 . 3.500 2.367 2.089 2.637 . 0 0 "[ . 1 . 2 . 3 .]" 1
755 1 65 VAL HA 1 96 LEU QD 3.500 . 3.500 2.950 2.258 3.551 0.051 12 0 "[ . 1 . 2 . 3 .]" 1
756 1 65 VAL HA 1 96 LEU HG 3.500 . 3.500 3.504 3.240 3.717 0.217 3 0 "[ . 1 . 2 . 3 .]" 1
757 1 65 VAL HA 1 97 GLU H 5.000 . 5.000 3.510 3.061 3.885 . 0 0 "[ . 1 . 2 . 3 .]" 1
758 1 65 VAL QG 1 66 LEU H 3.500 . 3.500 2.891 2.466 3.357 . 0 0 "[ . 1 . 2 . 3 .]" 1
759 1 65 VAL QG 1 67 ALA H 3.500 . 3.500 2.827 2.501 3.572 0.072 25 0 "[ . 1 . 2 . 3 .]" 1
760 1 65 VAL QG 1 67 ALA HA 5.000 . 5.000 4.018 3.562 5.092 0.092 14 0 "[ . 1 . 2 . 3 .]" 1
761 1 65 VAL QG 1 95 LEU H 5.000 . 5.000 3.327 2.690 4.365 . 0 0 "[ . 1 . 2 . 3 .]" 1
762 1 65 VAL QG 1 96 LEU HA 5.000 . 5.000 3.319 2.644 3.865 . 0 0 "[ . 1 . 2 . 3 .]" 1
763 1 66 LEU H 1 66 LEU QB 2.800 . 2.800 2.910 2.872 2.954 0.154 33 0 "[ . 1 . 2 . 3 .]" 1
764 1 66 LEU H 1 66 LEU QD 5.000 . 5.000 1.930 1.829 2.040 . 0 0 "[ . 1 . 2 . 3 .]" 1
765 1 66 LEU H 1 66 LEU HG 3.500 . 3.500 2.474 2.320 2.680 . 0 0 "[ . 1 . 2 . 3 .]" 1
766 1 66 LEU H 1 67 ALA H 3.500 . 3.500 2.298 2.174 2.452 . 0 0 "[ . 1 . 2 . 3 .]" 1
767 1 66 LEU H 1 95 LEU H 7.000 . 7.000 4.596 4.443 4.927 . 0 0 "[ . 1 . 2 . 3 .]" 1
768 1 66 LEU H 1 95 LEU QB 5.000 . 5.000 3.357 3.261 3.534 . 0 0 "[ . 1 . 2 . 3 .]" 1
769 1 66 LEU H 1 95 LEU QD 7.000 . 7.000 3.907 3.697 4.444 . 0 0 "[ . 1 . 2 . 3 .]" 1
770 1 66 LEU H 1 95 LEU HG 7.000 . 7.000 6.236 5.977 6.478 . 0 0 "[ . 1 . 2 . 3 .]" 1
771 1 66 LEU H 1 96 LEU HA 3.500 . 3.500 3.148 2.857 3.299 . 0 0 "[ . 1 . 2 . 3 .]" 1
772 1 66 LEU H 1 96 LEU QD 5.000 . 5.000 4.548 4.046 4.949 . 0 0 "[ . 1 . 2 . 3 .]" 1
773 1 66 LEU H 1 96 LEU HG 7.000 . 7.000 4.791 4.588 4.983 . 0 0 "[ . 1 . 2 . 3 .]" 1
774 1 66 LEU HA 1 66 LEU QB 2.800 . 2.800 2.115 2.074 2.145 . 0 0 "[ . 1 . 2 . 3 .]" 1
775 1 66 LEU HA 1 66 LEU QD 3.500 . 3.500 3.387 3.357 3.413 . 0 0 "[ . 1 . 2 . 3 .]" 1
776 1 66 LEU HA 1 67 ALA H 5.000 . 5.000 3.583 3.534 3.613 . 0 0 "[ . 1 . 2 . 3 .]" 1
777 1 66 LEU HA 1 95 LEU QD 5.000 . 5.000 5.092 4.990 5.328 0.328 17 0 "[ . 1 . 2 . 3 .]" 1
778 1 66 LEU QB 1 66 LEU QD 2.800 . 2.800 1.893 1.872 1.924 . 0 0 "[ . 1 . 2 . 3 .]" 1
779 1 66 LEU QB 1 67 ALA H 5.000 . 5.000 3.657 3.470 3.781 . 0 0 "[ . 1 . 2 . 3 .]" 1
780 1 66 LEU QB 1 67 ALA MB 3.500 . 3.500 3.537 3.415 3.640 0.140 16 0 "[ . 1 . 2 . 3 .]" 1
781 1 66 LEU QB 1 95 LEU QB 5.000 . 5.000 4.106 3.888 4.364 . 0 0 "[ . 1 . 2 . 3 .]" 1
782 1 66 LEU QB 1 97 GLU H 5.000 . 5.000 5.004 4.791 5.091 0.091 16 0 "[ . 1 . 2 . 3 .]" 1
783 1 66 LEU QD 1 67 ALA H 7.000 . 7.000 3.359 3.259 3.432 . 0 0 "[ . 1 . 2 . 3 .]" 1
784 1 66 LEU QD 1 95 LEU HA 7.000 . 7.000 4.067 3.853 4.201 . 0 0 "[ . 1 . 2 . 3 .]" 1
785 1 66 LEU QD 1 96 LEU H 5.000 . 5.000 3.803 3.528 4.033 . 0 0 "[ . 1 . 2 . 3 .]" 1
786 1 66 LEU QD 1 96 LEU HA 5.000 . 5.000 2.741 2.420 2.940 . 0 0 "[ . 1 . 2 . 3 .]" 1
787 1 66 LEU QD 1 97 GLU HA 5.000 . 5.000 3.383 2.809 3.684 . 0 0 "[ . 1 . 2 . 3 .]" 1
788 1 66 LEU QD 1 97 GLU QB 2.800 . 2.800 1.976 1.861 2.334 . 0 0 "[ . 1 . 2 . 3 .]" 1
789 1 66 LEU HG 1 67 ALA H 5.000 . 5.000 2.498 2.236 2.671 . 0 0 "[ . 1 . 2 . 3 .]" 1
790 1 66 LEU HG 1 67 ALA HA 5.000 . 5.000 4.713 4.591 4.826 . 0 0 "[ . 1 . 2 . 3 .]" 1
791 1 66 LEU HG 1 73 LEU H 7.000 . 7.000 5.865 5.417 6.527 . 0 0 "[ . 1 . 2 . 3 .]" 1
792 1 66 LEU HG 1 96 LEU H 5.000 . 5.000 4.997 4.669 5.061 0.061 11 0 "[ . 1 . 2 . 3 .]" 1
793 1 67 ALA H 1 67 ALA MB 3.500 . 3.500 2.739 2.635 2.836 . 0 0 "[ . 1 . 2 . 3 .]" 1
794 1 67 ALA H 1 68 VAL H 7.000 . 7.000 4.409 4.377 4.451 . 0 0 "[ . 1 . 2 . 3 .]" 1
795 1 67 ALA H 1 95 LEU H 3.500 . 3.500 3.165 3.058 3.400 . 0 0 "[ . 1 . 2 . 3 .]" 1
796 1 67 ALA H 1 95 LEU QB 2.800 . 2.800 2.116 1.900 2.312 . 0 0 "[ . 1 . 2 . 3 .]" 1
797 1 67 ALA H 1 95 LEU QD 5.000 . 5.000 3.475 3.228 3.629 . 0 0 "[ . 1 . 2 . 3 .]" 1
798 1 67 ALA H 1 95 LEU HG 7.000 . 7.000 5.145 4.988 5.297 . 0 0 "[ . 1 . 2 . 3 .]" 1
799 1 67 ALA HA 1 68 VAL H 2.800 . 2.800 2.295 2.206 2.398 . 0 0 "[ . 1 . 2 . 3 .]" 1
800 1 67 ALA HA 1 68 VAL HB 5.000 . 5.000 4.429 3.822 4.722 . 0 0 "[ . 1 . 2 . 3 .]" 1
801 1 67 ALA HA 1 68 VAL QG 3.500 . 3.500 3.202 2.981 3.740 0.240 14 0 "[ . 1 . 2 . 3 .]" 1
802 1 67 ALA HA 1 69 ASN H 7.000 . 7.000 6.148 5.976 6.365 . 0 0 "[ . 1 . 2 . 3 .]" 1
803 1 67 ALA HA 1 70 GLY H 7.000 . 7.000 5.364 5.063 5.737 . 0 0 "[ . 1 . 2 . 3 .]" 1
804 1 67 ALA HA 1 71 VAL H 5.000 . 5.000 4.373 4.032 4.668 . 0 0 "[ . 1 . 2 . 3 .]" 1
805 1 67 ALA HA 1 72 SER HA 2.800 . 2.800 2.356 2.121 2.795 . 0 0 "[ . 1 . 2 . 3 .]" 1
806 1 67 ALA HA 1 73 LEU H 3.500 . 3.500 2.943 2.438 3.509 0.009 8 0 "[ . 1 . 2 . 3 .]" 1
807 1 67 ALA HA 1 73 LEU QD 3.500 . 3.500 3.305 2.658 3.649 0.149 27 0 "[ . 1 . 2 . 3 .]" 1
808 1 67 ALA MB 1 68 VAL H 2.800 . 2.800 2.556 2.313 2.784 . 0 0 "[ . 1 . 2 . 3 .]" 1
809 1 67 ALA MB 1 70 GLY H 5.000 . 5.000 3.383 3.023 3.750 . 0 0 "[ . 1 . 2 . 3 .]" 1
810 1 67 ALA MB 1 70 GLY QA 3.500 . 3.500 3.088 2.623 3.539 0.039 28 0 "[ . 1 . 2 . 3 .]" 1
811 1 67 ALA MB 1 71 VAL H 3.500 . 3.500 2.981 2.482 3.251 . 0 0 "[ . 1 . 2 . 3 .]" 1
812 1 67 ALA MB 1 71 VAL HB 5.000 . 5.000 4.523 4.233 4.730 . 0 0 "[ . 1 . 2 . 3 .]" 1
813 1 67 ALA MB 1 72 SER H 5.000 . 5.000 3.196 2.995 3.476 . 0 0 "[ . 1 . 2 . 3 .]" 1
814 1 67 ALA MB 1 72 SER HA 2.800 . 2.800 2.189 2.042 2.351 . 0 0 "[ . 1 . 2 . 3 .]" 1
815 1 67 ALA MB 1 72 SER QB 5.000 . 5.000 3.025 2.347 3.841 . 0 0 "[ . 1 . 2 . 3 .]" 1
816 1 67 ALA MB 1 73 LEU H 5.000 . 5.000 3.596 3.169 4.095 . 0 0 "[ . 1 . 2 . 3 .]" 1
817 1 67 ALA MB 1 95 LEU HA 7.000 . 7.000 4.611 4.469 4.754 . 0 0 "[ . 1 . 2 . 3 .]" 1
818 1 67 ALA MB 1 95 LEU QB 2.800 . 2.800 2.021 1.918 2.110 . 0 0 "[ . 1 . 2 . 3 .]" 1
819 1 67 ALA MB 1 95 LEU QD 2.800 . 2.800 2.026 1.842 2.136 . 0 0 "[ . 1 . 2 . 3 .]" 1
820 1 68 VAL H 1 68 VAL HB 3.500 . 3.500 2.740 2.525 3.076 . 0 0 "[ . 1 . 2 . 3 .]" 1
821 1 68 VAL H 1 68 VAL QG 2.800 . 2.800 2.648 2.318 2.861 0.061 32 0 "[ . 1 . 2 . 3 .]" 1
822 1 68 VAL H 1 69 ASN H 7.000 . 7.000 4.315 4.249 4.378 . 0 0 "[ . 1 . 2 . 3 .]" 1
823 1 68 VAL H 1 70 GLY H 7.000 . 7.000 3.825 3.557 4.060 . 0 0 "[ . 1 . 2 . 3 .]" 1
824 1 68 VAL H 1 71 VAL H 3.500 . 3.500 2.544 2.339 2.820 . 0 0 "[ . 1 . 2 . 3 .]" 1
825 1 68 VAL H 1 71 VAL HB 5.000 . 5.000 3.129 2.907 3.292 . 0 0 "[ . 1 . 2 . 3 .]" 1
826 1 68 VAL H 1 73 LEU QD 5.000 . 5.000 4.173 3.451 4.497 . 0 0 "[ . 1 . 2 . 3 .]" 1
827 1 68 VAL HA 1 68 VAL QG 2.800 . 2.800 2.123 2.055 2.181 . 0 0 "[ . 1 . 2 . 3 .]" 1
828 1 68 VAL HA 1 69 ASN H 2.800 . 2.800 2.229 2.093 2.335 . 0 0 "[ . 1 . 2 . 3 .]" 1
829 1 68 VAL HA 1 70 GLY H 3.500 . 3.500 3.570 3.458 3.710 0.210 16 0 "[ . 1 . 2 . 3 .]" 1
830 1 68 VAL HA 1 72 SER H 7.000 . 7.000 7.189 7.125 7.268 0.268 1 0 "[ . 1 . 2 . 3 .]" 1
831 1 68 VAL HA 1 94 LEU HA 3.500 . 3.500 2.961 2.709 3.334 . 0 0 "[ . 1 . 2 . 3 .]" 1
832 1 68 VAL HA 1 94 LEU QD 3.500 . 3.500 3.418 3.139 3.640 0.140 8 0 "[ . 1 . 2 . 3 .]" 1
833 1 68 VAL HA 1 95 LEU H 7.000 . 7.000 3.119 2.857 3.307 . 0 0 "[ . 1 . 2 . 3 .]" 1
834 1 68 VAL HB 1 84 THR MG 2.800 . 2.800 2.383 1.968 3.176 0.376 19 0 "[ . 1 . 2 . 3 .]" 1
835 1 68 VAL QG 1 69 ASN H 3.500 . 3.500 2.663 2.382 2.841 . 0 0 "[ . 1 . 2 . 3 .]" 1
836 1 68 VAL QG 1 69 ASN QB 7.000 . 7.000 3.059 2.347 3.632 . 0 0 "[ . 1 . 2 . 3 .]" 1
837 1 68 VAL QG 1 69 ASN QD 7.000 . 7.000 3.395 2.373 4.596 . 0 0 "[ . 1 . 2 . 3 .]" 1
838 1 68 VAL QG 1 70 GLY H 5.000 . 5.000 4.325 4.082 4.412 . 0 0 "[ . 1 . 2 . 3 .]" 1
839 1 68 VAL QG 1 84 THR HA 5.000 . 5.000 4.322 3.523 4.716 . 0 0 "[ . 1 . 2 . 3 .]" 1
840 1 68 VAL QG 1 84 THR HB 5.000 . 5.000 3.736 3.224 4.099 . 0 0 "[ . 1 . 2 . 3 .]" 1
841 1 68 VAL QG 1 84 THR MG 2.800 . 2.800 2.398 1.789 2.913 0.113 7 0 "[ . 1 . 2 . 3 .]" 1
842 1 68 VAL QG 1 85 LEU HA 3.500 . 3.500 2.305 2.054 2.666 . 0 0 "[ . 1 . 2 . 3 .]" 1
843 1 68 VAL QG 1 85 LEU QB 5.000 . 5.000 3.577 3.436 3.765 . 0 0 "[ . 1 . 2 . 3 .]" 1
844 1 68 VAL QG 1 85 LEU HG 2.800 . 2.800 2.651 2.245 2.965 0.165 19 0 "[ . 1 . 2 . 3 .]" 1
845 1 68 VAL QG 1 88 THR MG 2.800 . 2.800 2.559 2.089 2.895 0.095 11 0 "[ . 1 . 2 . 3 .]" 1
846 1 68 VAL QG 1 93 HIS H 3.500 . 3.500 3.558 2.810 3.729 0.229 31 0 "[ . 1 . 2 . 3 .]" 1
847 1 68 VAL QG 1 95 LEU H 3.500 . 3.500 3.556 3.342 3.683 0.183 19 0 "[ . 1 . 2 . 3 .]" 1
848 1 69 ASN H 1 69 ASN HA 2.800 . 2.800 2.149 2.098 2.178 . 0 0 "[ . 1 . 2 . 3 .]" 1
849 1 69 ASN H 1 69 ASN QB 3.500 . 3.500 3.127 2.592 3.412 . 0 0 "[ . 1 . 2 . 3 .]" 1
850 1 69 ASN H 1 70 GLY H 3.500 . 3.500 2.820 2.621 3.145 . 0 0 "[ . 1 . 2 . 3 .]" 1
851 1 69 ASN H 1 71 VAL H 5.000 . 5.000 4.085 3.937 4.251 . 0 0 "[ . 1 . 2 . 3 .]" 1
852 1 69 ASN H 1 91 VAL QG 5.000 . 5.000 5.261 5.169 5.326 0.326 29 0 "[ . 1 . 2 . 3 .]" 1
853 1 69 ASN H 1 92 VAL QG 5.000 . 5.000 3.811 3.276 4.705 . 0 0 "[ . 1 . 2 . 3 .]" 1
854 1 69 ASN H 1 93 HIS H 5.000 . 5.000 2.919 2.625 3.168 . 0 0 "[ . 1 . 2 . 3 .]" 1
855 1 69 ASN H 1 93 HIS QB 5.000 . 5.000 2.442 2.034 2.683 . 0 0 "[ . 1 . 2 . 3 .]" 1
856 1 69 ASN H 1 94 LEU HA 5.000 . 5.000 4.051 3.695 4.442 . 0 0 "[ . 1 . 2 . 3 .]" 1
857 1 69 ASN H 1 94 LEU QD 5.000 . 5.000 4.526 4.094 4.989 . 0 0 "[ . 1 . 2 . 3 .]" 1
858 1 69 ASN HA 1 69 ASN QB 2.800 . 2.800 2.370 2.083 2.566 . 0 0 "[ . 1 . 2 . 3 .]" 1
859 1 69 ASN HA 1 93 HIS QB 3.500 . 3.500 2.156 1.946 2.406 . 0 0 "[ . 1 . 2 . 3 .]" 1
860 1 69 ASN QB 1 70 GLY H 5.000 . 5.000 3.920 3.826 4.065 . 0 0 "[ . 1 . 2 . 3 .]" 1
861 1 69 ASN QB 1 71 VAL QG 5.000 . 5.000 2.937 2.325 4.360 . 0 0 "[ . 1 . 2 . 3 .]" 1
862 1 69 ASN QD 1 88 THR HB 5.000 . 5.000 3.150 2.186 4.760 . 0 0 "[ . 1 . 2 . 3 .]" 1
863 1 69 ASN QD 1 88 THR MG 3.500 . 3.500 3.149 2.093 3.592 0.092 35 0 "[ . 1 . 2 . 3 .]" 1
864 1 69 ASN QD 1 89 GLY H 7.000 . 7.000 3.833 2.688 5.133 . 0 0 "[ . 1 . 2 . 3 .]" 1
865 1 69 ASN QD 1 92 VAL QG 5.000 . 5.000 3.409 2.284 4.975 . 0 0 "[ . 1 . 2 . 3 .]" 1
866 1 69 ASN QD 1 93 HIS H 5.000 . 5.000 3.865 2.448 5.112 0.112 32 0 "[ . 1 . 2 . 3 .]" 1
867 1 69 ASN QD 1 94 LEU QD 7.000 . 7.000 6.129 5.049 7.070 0.070 11 0 "[ . 1 . 2 . 3 .]" 1
868 1 70 GLY H 1 70 GLY QA 2.800 . 2.800 2.165 2.128 2.221 . 0 0 "[ . 1 . 2 . 3 .]" 1
869 1 70 GLY H 1 71 VAL H 3.500 . 3.500 2.524 2.305 2.699 . 0 0 "[ . 1 . 2 . 3 .]" 1
870 1 70 GLY QA 1 71 VAL H 5.000 . 5.000 2.893 2.787 2.953 . 0 0 "[ . 1 . 2 . 3 .]" 1
871 1 70 GLY QA 1 71 VAL QG 5.000 . 5.000 3.604 3.270 3.776 . 0 0 "[ . 1 . 2 . 3 .]" 1
872 1 71 VAL H 1 71 VAL HB 2.800 . 2.800 2.705 2.584 2.818 0.018 5 0 "[ . 1 . 2 . 3 .]" 1
873 1 71 VAL H 1 71 VAL QG 2.800 . 2.800 2.509 2.323 2.775 . 0 0 "[ . 1 . 2 . 3 .]" 1
874 1 71 VAL H 1 72 SER H 5.000 . 5.000 4.011 3.794 4.197 . 0 0 "[ . 1 . 2 . 3 .]" 1
875 1 71 VAL H 1 95 LEU QB 5.000 . 5.000 5.211 5.132 5.318 0.318 33 0 "[ . 1 . 2 . 3 .]" 1
876 1 71 VAL HA 1 71 VAL QG 2.800 . 2.800 2.072 2.054 2.097 . 0 0 "[ . 1 . 2 . 3 .]" 1
877 1 71 VAL HA 1 72 SER H 3.500 . 3.500 2.150 2.050 2.257 . 0 0 "[ . 1 . 2 . 3 .]" 1
878 1 71 VAL HB 1 72 SER H 5.000 . 5.000 4.389 4.287 4.482 . 0 0 "[ . 1 . 2 . 3 .]" 1
879 1 71 VAL HB 1 84 THR MG 2.800 . 2.800 2.928 2.817 3.043 0.243 9 0 "[ . 1 . 2 . 3 .]" 1
880 1 71 VAL QG 1 72 SER H 3.500 . 3.500 3.128 2.924 3.319 . 0 0 "[ . 1 . 2 . 3 .]" 1
881 1 72 SER H 1 72 SER QB 2.800 . 2.800 2.478 2.183 2.653 . 0 0 "[ . 1 . 2 . 3 .]" 1
882 1 72 SER H 1 73 LEU H 7.000 . 7.000 4.587 4.506 4.637 . 0 0 "[ . 1 . 2 . 3 .]" 1
883 1 72 SER HA 1 73 LEU H 2.800 . 2.800 2.156 2.045 2.299 . 0 0 "[ . 1 . 2 . 3 .]" 1
884 1 72 SER QB 1 73 LEU H 5.000 . 5.000 3.049 2.519 3.667 . 0 0 "[ . 1 . 2 . 3 .]" 1
885 1 72 SER QB 1 74 GLU H 5.000 . 5.000 3.295 2.374 4.377 . 0 0 "[ . 1 . 2 . 3 .]" 1
886 1 73 LEU H 1 73 LEU QB 2.800 . 2.800 2.193 2.077 2.371 . 0 0 "[ . 1 . 2 . 3 .]" 1
887 1 73 LEU H 1 73 LEU QD 3.500 . 3.500 3.133 2.935 3.318 . 0 0 "[ . 1 . 2 . 3 .]" 1
888 1 73 LEU H 1 73 LEU HG 3.500 . 3.500 2.636 2.373 3.046 . 0 0 "[ . 1 . 2 . 3 .]" 1
889 1 73 LEU HA 1 73 LEU QB 2.800 . 2.800 2.467 2.389 2.513 . 0 0 "[ . 1 . 2 . 3 .]" 1
890 1 73 LEU HA 1 73 LEU QD 2.800 . 2.800 2.290 2.007 2.498 . 0 0 "[ . 1 . 2 . 3 .]" 1
891 1 73 LEU QB 1 73 LEU QD 2.800 . 2.800 1.951 1.898 2.048 . 0 0 "[ . 1 . 2 . 3 .]" 1
892 1 73 LEU QB 1 74 GLU H 5.000 . 5.000 3.617 2.256 3.981 . 0 0 "[ . 1 . 2 . 3 .]" 1
893 1 73 LEU QD 1 76 ALA MB 2.800 . 2.800 2.023 1.889 2.330 . 0 0 "[ . 1 . 2 . 3 .]" 1
894 1 73 LEU QD 1 81 ALA H 5.000 . 5.000 3.921 3.563 4.374 . 0 0 "[ . 1 . 2 . 3 .]" 1
895 1 73 LEU QD 1 81 ALA HA 2.800 . 2.800 2.255 1.981 2.694 . 0 0 "[ . 1 . 2 . 3 .]" 1
896 1 73 LEU QD 1 84 THR H 5.000 . 5.000 4.157 3.864 4.560 . 0 0 "[ . 1 . 2 . 3 .]" 1
897 1 73 LEU QD 1 84 THR HB 2.800 . 2.800 2.379 2.065 2.873 0.073 1 0 "[ . 1 . 2 . 3 .]" 1
898 1 73 LEU QD 1 84 THR MG 2.800 . 2.800 2.126 1.907 2.814 0.014 1 0 "[ . 1 . 2 . 3 .]" 1
899 1 73 LEU HG 1 74 GLU H 5.000 . 5.000 4.869 4.314 5.053 0.053 22 0 "[ . 1 . 2 . 3 .]" 1
900 1 74 GLU H 1 74 GLU QB 2.800 . 2.800 2.338 1.982 2.814 0.014 8 0 "[ . 1 . 2 . 3 .]" 1
901 1 74 GLU H 1 74 GLU QG 5.000 . 5.000 3.271 1.987 4.121 . 0 0 "[ . 1 . 2 . 3 .]" 1
902 1 74 GLU H 1 75 GLY H 5.000 . 5.000 4.042 2.907 4.546 . 0 0 "[ . 1 . 2 . 3 .]" 1
903 1 74 GLU HA 1 74 GLU QG 3.500 . 3.500 2.637 2.249 3.521 0.021 2 0 "[ . 1 . 2 . 3 .]" 1
904 1 74 GLU HA 1 75 GLY H 2.800 . 2.800 2.290 2.085 3.021 0.221 2 0 "[ . 1 . 2 . 3 .]" 1
905 1 74 GLU HA 1 76 ALA H 5.000 . 5.000 3.832 3.238 4.697 . 0 0 "[ . 1 . 2 . 3 .]" 1
906 1 74 GLU QB 1 75 GLY H 5.000 . 5.000 3.758 3.097 4.086 . 0 0 "[ . 1 . 2 . 3 .]" 1
907 1 74 GLU QG 1 75 GLY H 5.000 . 5.000 4.008 2.948 4.935 . 0 0 "[ . 1 . 2 . 3 .]" 1
908 1 75 GLY H 1 76 ALA H 3.500 . 3.500 2.475 1.893 3.021 . 0 0 "[ . 1 . 2 . 3 .]" 1
909 1 75 GLY H 1 76 ALA MB 7.000 . 7.000 4.222 3.212 4.786 . 0 0 "[ . 1 . 2 . 3 .]" 1
910 1 75 GLY QA 1 76 ALA H 5.000 . 5.000 2.890 2.558 2.997 . 0 0 "[ . 1 . 2 . 3 .]" 1
911 1 76 ALA H 1 76 ALA MB 2.800 . 2.800 2.313 2.210 2.438 . 0 0 "[ . 1 . 2 . 3 .]" 1
912 1 76 ALA H 1 77 THR H 5.000 . 5.000 4.538 4.407 4.611 . 0 0 "[ . 1 . 2 . 3 .]" 1
913 1 76 ALA HA 1 77 THR H 2.800 . 2.800 2.164 2.034 2.309 . 0 0 "[ . 1 . 2 . 3 .]" 1
914 1 76 ALA HA 1 80 GLN QB 5.000 . 5.000 2.212 1.991 2.680 . 0 0 "[ . 1 . 2 . 3 .]" 1
915 1 76 ALA HA 1 80 GLN QG 5.000 . 5.000 3.379 2.675 3.971 . 0 0 "[ . 1 . 2 . 3 .]" 1
916 1 76 ALA MB 1 77 THR H 2.800 . 2.800 2.793 2.475 2.915 0.115 31 0 "[ . 1 . 2 . 3 .]" 1
917 1 76 ALA MB 1 80 GLN H 5.000 . 5.000 4.415 3.882 4.698 . 0 0 "[ . 1 . 2 . 3 .]" 1
918 1 76 ALA MB 1 80 GLN HA 5.000 . 5.000 4.365 3.900 4.771 . 0 0 "[ . 1 . 2 . 3 .]" 1
919 1 76 ALA MB 1 80 GLN QB 3.500 . 3.500 2.294 1.881 2.713 . 0 0 "[ . 1 . 2 . 3 .]" 1
920 1 76 ALA MB 1 80 GLN QG 3.500 . 3.500 3.453 2.546 3.860 0.360 30 0 "[ . 1 . 2 . 3 .]" 1
921 1 76 ALA MB 1 81 ALA H 3.500 . 3.500 2.861 2.628 3.242 . 0 0 "[ . 1 . 2 . 3 .]" 1
922 1 76 ALA MB 1 81 ALA HA 3.500 . 3.500 2.747 2.419 3.302 . 0 0 "[ . 1 . 2 . 3 .]" 1
923 1 76 ALA MB 1 84 THR MG 3.500 . 3.500 3.790 3.648 3.879 0.379 32 0 "[ . 1 . 2 . 3 .]" 1
924 1 77 THR H 1 77 THR MG 2.800 . 2.800 2.258 1.955 2.509 . 0 0 "[ . 1 . 2 . 3 .]" 1
925 1 77 THR H 1 78 HIS H 5.000 . 5.000 4.267 4.107 4.365 . 0 0 "[ . 1 . 2 . 3 .]" 1
926 1 77 THR H 1 80 GLN H 5.000 . 5.000 2.995 2.761 3.408 . 0 0 "[ . 1 . 2 . 3 .]" 1
927 1 77 THR H 1 80 GLN QB 3.500 . 3.500 1.787 1.552 2.088 . 0 0 "[ . 1 . 2 . 3 .]" 1
928 1 77 THR H 1 80 GLN QG 5.000 . 5.000 3.713 2.592 4.238 . 0 0 "[ . 1 . 2 . 3 .]" 1
929 1 77 THR H 1 81 ALA HA 5.000 . 5.000 5.048 4.928 5.120 0.120 10 0 "[ . 1 . 2 . 3 .]" 1
930 1 77 THR HA 1 77 THR MG 3.500 . 3.500 2.668 2.324 3.255 . 0 0 "[ . 1 . 2 . 3 .]" 1
931 1 77 THR HA 1 78 HIS H 3.500 . 3.500 2.818 2.607 2.985 . 0 0 "[ . 1 . 2 . 3 .]" 1
932 1 77 THR HA 1 81 ALA H 5.000 . 5.000 4.614 4.461 4.720 . 0 0 "[ . 1 . 2 . 3 .]" 1
933 1 77 THR HB 1 78 HIS H 3.500 . 3.500 2.437 1.867 3.577 0.077 20 0 "[ . 1 . 2 . 3 .]" 1
934 1 77 THR HB 1 79 LYS H 5.000 . 5.000 3.820 2.811 5.171 0.171 23 0 "[ . 1 . 2 . 3 .]" 1
935 1 77 THR MG 1 78 HIS H 3.500 . 3.500 3.448 2.683 3.696 0.196 21 0 "[ . 1 . 2 . 3 .]" 1
936 1 77 THR MG 1 80 GLN H 3.500 . 3.500 3.227 2.167 3.694 0.194 4 0 "[ . 1 . 2 . 3 .]" 1
937 1 77 THR MG 1 80 GLN QB 5.000 . 5.000 2.757 2.118 3.236 . 0 0 "[ . 1 . 2 . 3 .]" 1
938 1 78 HIS H 1 78 HIS QB 3.500 . 3.500 2.240 2.084 2.349 . 0 0 "[ . 1 . 2 . 3 .]" 1
939 1 78 HIS H 1 79 LYS H 5.000 . 5.000 2.804 2.369 3.092 . 0 0 "[ . 1 . 2 . 3 .]" 1
940 1 78 HIS H 1 80 GLN H 7.000 . 7.000 4.313 3.970 4.781 . 0 0 "[ . 1 . 2 . 3 .]" 1
941 1 78 HIS H 1 81 ALA H 7.000 . 7.000 4.618 4.461 4.757 . 0 0 "[ . 1 . 2 . 3 .]" 1
942 1 78 HIS H 1 81 ALA MB 5.000 . 5.000 4.640 4.437 4.812 . 0 0 "[ . 1 . 2 . 3 .]" 1
943 1 78 HIS HA 1 81 ALA MB 5.000 . 5.000 2.885 2.696 3.160 . 0 0 "[ . 1 . 2 . 3 .]" 1
944 1 78 HIS QB 1 79 LYS H 3.500 . 3.500 2.519 2.397 2.691 . 0 0 "[ . 1 . 2 . 3 .]" 1
945 1 78 HIS HD2 1 79 LYS HA 7.000 . 7.000 4.105 3.125 5.454 . 0 0 "[ . 1 . 2 . 3 .]" 1
946 1 78 HIS HD2 1 82 VAL QG 5.000 . 5.000 2.734 1.973 4.131 . 0 0 "[ . 1 . 2 . 3 .]" 1
947 1 79 LYS H 1 79 LYS QB 2.800 . 2.800 2.251 2.059 2.596 . 0 0 "[ . 1 . 2 . 3 .]" 1
948 1 79 LYS H 1 79 LYS QG 5.000 . 5.000 3.310 2.087 4.034 . 0 0 "[ . 1 . 2 . 3 .]" 1
949 1 79 LYS H 1 80 GLN H 3.500 . 3.500 2.761 2.571 2.873 . 0 0 "[ . 1 . 2 . 3 .]" 1
950 1 79 LYS H 1 81 ALA H 7.000 . 7.000 4.230 3.952 4.418 . 0 0 "[ . 1 . 2 . 3 .]" 1
951 1 79 LYS HA 1 79 LYS QB 2.800 . 2.800 2.420 2.345 2.580 . 0 0 "[ . 1 . 2 . 3 .]" 1
952 1 79 LYS HA 1 79 LYS QG 2.800 . 2.800 2.417 2.171 2.626 . 0 0 "[ . 1 . 2 . 3 .]" 1
953 1 79 LYS HA 1 82 VAL H 3.500 . 3.500 3.492 3.236 3.610 0.110 5 0 "[ . 1 . 2 . 3 .]" 1
954 1 79 LYS HA 1 82 VAL HB 3.500 . 3.500 2.803 2.407 3.112 . 0 0 "[ . 1 . 2 . 3 .]" 1
955 1 79 LYS HA 1 82 VAL QG 3.500 . 3.500 3.173 2.872 3.411 . 0 0 "[ . 1 . 2 . 3 .]" 1
956 1 79 LYS QB 1 80 GLN H 3.500 . 3.500 2.569 2.260 2.861 . 0 0 "[ . 1 . 2 . 3 .]" 1
957 1 79 LYS QB 1 81 ALA H 7.000 . 7.000 4.890 4.700 5.086 . 0 0 "[ . 1 . 2 . 3 .]" 1
958 1 79 LYS QE 1 79 LYS QG 2.800 . 2.800 2.365 2.143 2.717 . 0 0 "[ . 1 . 2 . 3 .]" 1
959 1 79 LYS QG 1 80 GLN H 7.000 . 7.000 4.058 3.408 4.666 . 0 0 "[ . 1 . 2 . 3 .]" 1
960 1 80 GLN H 1 80 GLN QB 3.500 . 3.500 2.048 1.901 2.613 . 0 0 "[ . 1 . 2 . 3 .]" 1
961 1 80 GLN H 1 80 GLN QG 3.500 . 3.500 3.514 2.333 3.830 0.330 31 0 "[ . 1 . 2 . 3 .]" 1
962 1 80 GLN H 1 81 ALA H 3.500 . 3.500 2.929 2.752 3.104 . 0 0 "[ . 1 . 2 . 3 .]" 1
963 1 80 GLN H 1 81 ALA MB 7.000 . 7.000 4.524 4.304 4.663 . 0 0 "[ . 1 . 2 . 3 .]" 1
964 1 80 GLN H 1 82 VAL H 7.000 . 7.000 4.347 4.207 4.498 . 0 0 "[ . 1 . 2 . 3 .]" 1
965 1 80 GLN H 1 83 GLU QG 7.000 . 7.000 5.307 4.424 6.989 . 0 0 "[ . 1 . 2 . 3 .]" 1
966 1 80 GLN HA 1 80 GLN QB 2.800 . 2.800 2.497 2.312 2.571 . 0 0 "[ . 1 . 2 . 3 .]" 1
967 1 80 GLN HA 1 80 GLN QG 2.800 . 2.800 2.309 2.090 2.561 . 0 0 "[ . 1 . 2 . 3 .]" 1
968 1 80 GLN HA 1 81 ALA H 5.000 . 5.000 3.668 3.622 3.692 . 0 0 "[ . 1 . 2 . 3 .]" 1
969 1 80 GLN QB 1 81 ALA H 3.500 . 3.500 2.822 2.526 3.092 . 0 0 "[ . 1 . 2 . 3 .]" 1
970 1 80 GLN QG 1 81 ALA H 5.000 . 5.000 4.458 3.891 4.837 . 0 0 "[ . 1 . 2 . 3 .]" 1
971 1 81 ALA H 1 81 ALA MB 2.800 . 2.800 2.174 2.139 2.222 . 0 0 "[ . 1 . 2 . 3 .]" 1
972 1 81 ALA H 1 84 THR H 7.000 . 7.000 4.747 4.645 4.961 . 0 0 "[ . 1 . 2 . 3 .]" 1
973 1 81 ALA HA 1 84 THR H 5.000 . 5.000 3.306 3.091 3.440 . 0 0 "[ . 1 . 2 . 3 .]" 1
974 1 81 ALA HA 1 84 THR HB 2.800 . 2.800 2.447 2.256 2.730 . 0 0 "[ . 1 . 2 . 3 .]" 1
975 1 81 ALA MB 1 82 VAL H 2.800 . 2.800 2.600 2.487 2.718 . 0 0 "[ . 1 . 2 . 3 .]" 1
976 1 81 ALA MB 1 82 VAL HA 5.000 . 5.000 3.852 3.754 3.964 . 0 0 "[ . 1 . 2 . 3 .]" 1
977 1 81 ALA MB 1 83 GLU H 5.000 . 5.000 4.800 4.621 4.937 . 0 0 "[ . 1 . 2 . 3 .]" 1
978 1 81 ALA MB 1 84 THR H 5.000 . 5.000 4.555 4.429 4.710 . 0 0 "[ . 1 . 2 . 3 .]" 1
979 1 81 ALA MB 1 84 THR HB 5.000 . 5.000 3.892 3.704 4.122 . 0 0 "[ . 1 . 2 . 3 .]" 1
980 1 82 VAL H 1 82 VAL HB 2.800 . 2.800 2.377 2.257 2.535 . 0 0 "[ . 1 . 2 . 3 .]" 1
981 1 82 VAL H 1 82 VAL QG 2.800 . 2.800 2.275 2.156 2.411 . 0 0 "[ . 1 . 2 . 3 .]" 1
982 1 82 VAL H 1 84 THR H 5.000 . 5.000 4.184 4.037 4.382 . 0 0 "[ . 1 . 2 . 3 .]" 1
983 1 82 VAL HA 1 82 VAL QG 2.800 . 2.800 2.120 2.087 2.178 . 0 0 "[ . 1 . 2 . 3 .]" 1
984 1 82 VAL HA 1 83 GLU H 5.000 . 5.000 3.630 3.603 3.675 . 0 0 "[ . 1 . 2 . 3 .]" 1
985 1 82 VAL HA 1 85 LEU H 5.000 . 5.000 3.495 3.350 3.695 . 0 0 "[ . 1 . 2 . 3 .]" 1
986 1 82 VAL HA 1 85 LEU QB 3.500 . 3.500 2.996 2.749 3.278 . 0 0 "[ . 1 . 2 . 3 .]" 1
987 1 82 VAL HA 1 85 LEU QD 3.500 . 3.500 2.797 2.222 3.678 0.178 4 0 "[ . 1 . 2 . 3 .]" 1
988 1 82 VAL QG 1 83 GLU H 3.500 . 3.500 2.987 2.796 3.175 . 0 0 "[ . 1 . 2 . 3 .]" 1
989 1 82 VAL QG 1 83 GLU HA 3.500 . 3.500 3.182 2.941 3.396 . 0 0 "[ . 1 . 2 . 3 .]" 1
990 1 82 VAL QG 1 83 GLU QG 7.000 . 7.000 3.401 2.509 4.632 . 0 0 "[ . 1 . 2 . 3 .]" 1
991 1 82 VAL QG 1 84 THR H 5.000 . 5.000 4.568 4.445 4.794 . 0 0 "[ . 1 . 2 . 3 .]" 1
992 1 82 VAL QG 1 86 ARG QB 2.800 . 2.800 2.501 2.153 2.958 0.158 5 0 "[ . 1 . 2 . 3 .]" 1
993 1 82 VAL QG 1 86 ARG QD 2.800 . 2.800 2.916 2.249 3.190 0.390 19 0 "[ . 1 . 2 . 3 .]" 1
994 1 83 GLU H 1 83 GLU QB 2.800 . 2.800 2.368 1.865 2.600 . 0 0 "[ . 1 . 2 . 3 .]" 1
995 1 83 GLU H 1 83 GLU QG 3.500 . 3.500 2.471 2.080 3.740 0.240 11 0 "[ . 1 . 2 . 3 .]" 1
996 1 83 GLU H 1 84 THR H 3.500 . 3.500 2.845 2.688 2.996 . 0 0 "[ . 1 . 2 . 3 .]" 1
997 1 83 GLU HA 1 83 GLU QB 2.800 . 2.800 2.413 2.313 2.527 . 0 0 "[ . 1 . 2 . 3 .]" 1
998 1 83 GLU HA 1 83 GLU QG 2.800 . 2.800 2.436 2.242 2.827 0.027 35 0 "[ . 1 . 2 . 3 .]" 1
999 1 83 GLU HA 1 84 THR H 5.000 . 5.000 3.514 3.416 3.594 . 0 0 "[ . 1 . 2 . 3 .]" 1
1000 1 83 GLU HA 1 86 ARG H 5.000 . 5.000 3.372 2.752 3.879 . 0 0 "[ . 1 . 2 . 3 .]" 1
1001 1 83 GLU HA 1 86 ARG QB 3.500 . 3.500 3.079 2.227 3.856 0.356 33 0 "[ . 1 . 2 . 3 .]" 1
1002 1 83 GLU HA 1 86 ARG QD 3.500 . 3.500 2.909 2.072 3.672 0.172 11 0 "[ . 1 . 2 . 3 .]" 1
1003 1 83 GLU HA 1 86 ARG QG 5.000 . 5.000 4.069 1.852 5.001 0.001 13 0 "[ . 1 . 2 . 3 .]" 1
1004 1 83 GLU QB 1 84 THR H 3.500 . 3.500 2.689 2.379 3.108 . 0 0 "[ . 1 . 2 . 3 .]" 1
1005 1 83 GLU QB 1 84 THR HA 5.000 . 5.000 3.945 3.542 4.198 . 0 0 "[ . 1 . 2 . 3 .]" 1
1006 1 83 GLU QG 1 84 THR H 7.000 . 7.000 4.189 3.739 4.446 . 0 0 "[ . 1 . 2 . 3 .]" 1
1007 1 84 THR H 1 84 THR HB 2.800 . 2.800 2.450 2.266 2.604 . 0 0 "[ . 1 . 2 . 3 .]" 1
1008 1 84 THR HA 1 84 THR MG 2.800 . 2.800 2.456 2.295 2.617 . 0 0 "[ . 1 . 2 . 3 .]" 1
1009 1 84 THR HA 1 87 ASN H 5.000 . 5.000 4.390 4.131 4.657 . 0 0 "[ . 1 . 2 . 3 .]" 1
1010 1 84 THR HA 1 87 ASN QB 5.000 . 5.000 4.438 3.935 4.921 . 0 0 "[ . 1 . 2 . 3 .]" 1
1011 1 84 THR HA 1 87 ASN QD 7.000 . 7.000 6.106 2.424 7.149 0.149 7 0 "[ . 1 . 2 . 3 .]" 1
1012 1 84 THR HB 1 85 LEU H 3.500 . 3.500 2.948 2.677 3.177 . 0 0 "[ . 1 . 2 . 3 .]" 1
1013 1 85 LEU H 1 85 LEU QB 2.800 . 2.800 2.224 2.092 2.434 . 0 0 "[ . 1 . 2 . 3 .]" 1
1014 1 85 LEU H 1 85 LEU QD 3.500 . 3.500 3.095 2.890 3.345 . 0 0 "[ . 1 . 2 . 3 .]" 1
1015 1 85 LEU H 1 85 LEU HG 3.500 . 3.500 2.503 2.280 2.718 . 0 0 "[ . 1 . 2 . 3 .]" 1
1016 1 85 LEU H 1 86 ARG H 3.500 . 3.500 2.418 2.271 2.562 . 0 0 "[ . 1 . 2 . 3 .]" 1
1017 1 85 LEU HA 1 85 LEU QB 2.800 . 2.800 2.451 2.393 2.494 . 0 0 "[ . 1 . 2 . 3 .]" 1
1018 1 85 LEU HA 1 85 LEU QD 2.800 . 2.800 2.308 2.094 2.477 . 0 0 "[ . 1 . 2 . 3 .]" 1
1019 1 85 LEU HA 1 85 LEU HG 3.500 . 3.500 2.863 2.648 3.063 . 0 0 "[ . 1 . 2 . 3 .]" 1
1020 1 85 LEU HA 1 86 ARG H 5.000 . 5.000 3.549 3.475 3.607 . 0 0 "[ . 1 . 2 . 3 .]" 1
1021 1 85 LEU HA 1 88 THR H 5.000 . 5.000 5.114 5.031 5.195 0.195 24 0 "[ . 1 . 2 . 3 .]" 1
1022 1 85 LEU HA 1 88 THR MG 3.500 . 3.500 2.734 2.495 3.032 . 0 0 "[ . 1 . 2 . 3 .]" 1
1023 1 85 LEU HA 1 94 LEU QD 5.000 . 5.000 4.335 4.081 4.695 . 0 0 "[ . 1 . 2 . 3 .]" 1
1024 1 85 LEU QB 1 85 LEU QD 2.800 . 2.800 1.942 1.894 1.982 . 0 0 "[ . 1 . 2 . 3 .]" 1
1025 1 85 LEU QB 1 86 ARG H 5.000 . 5.000 2.482 2.288 2.711 . 0 0 "[ . 1 . 2 . 3 .]" 1
1026 1 85 LEU QB 1 87 ASN H 5.000 . 5.000 4.847 4.645 5.033 0.033 24 0 "[ . 1 . 2 . 3 .]" 1
1027 1 85 LEU QD 1 86 ARG H 5.000 . 5.000 4.012 3.778 4.181 . 0 0 "[ . 1 . 2 . 3 .]" 1
1028 1 86 ARG H 1 86 ARG QB 2.800 . 2.800 2.136 2.014 2.680 . 0 0 "[ . 1 . 2 . 3 .]" 1
1029 1 86 ARG H 1 86 ARG QD 5.000 . 5.000 3.751 3.027 4.166 . 0 0 "[ . 1 . 2 . 3 .]" 1
1030 1 86 ARG H 1 86 ARG QG 5.000 . 5.000 3.661 2.332 4.025 . 0 0 "[ . 1 . 2 . 3 .]" 1
1031 1 86 ARG H 1 87 ASN H 3.500 . 3.500 2.735 2.631 2.917 . 0 0 "[ . 1 . 2 . 3 .]" 1
1032 1 86 ARG HA 1 86 ARG QB 2.800 . 2.800 2.198 2.013 2.385 . 0 0 "[ . 1 . 2 . 3 .]" 1
1033 1 86 ARG HA 1 86 ARG QD 3.500 . 3.500 3.696 3.597 3.866 0.366 5 0 "[ . 1 . 2 . 3 .]" 1
1034 1 86 ARG HA 1 86 ARG QG 3.500 . 3.500 2.824 2.350 3.566 0.066 15 0 "[ . 1 . 2 . 3 .]" 1
1035 1 86 ARG HA 1 87 ASN H 5.000 . 5.000 3.588 3.438 3.658 . 0 0 "[ . 1 . 2 . 3 .]" 1
1036 1 86 ARG HA 1 88 THR MG 5.000 . 5.000 4.112 3.849 4.382 . 0 0 "[ . 1 . 2 . 3 .]" 1
1037 1 86 ARG HA 1 92 VAL QG 5.000 . 5.000 4.572 4.043 5.078 0.078 9 0 "[ . 1 . 2 . 3 .]" 1
1038 1 86 ARG QB 1 86 ARG QD 2.800 . 2.800 2.252 2.005 2.886 0.086 5 0 "[ . 1 . 2 . 3 .]" 1
1039 1 86 ARG QB 1 87 ASN H 3.500 . 3.500 3.094 2.516 3.753 0.253 33 0 "[ . 1 . 2 . 3 .]" 1
1040 1 86 ARG QB 1 88 THR H 7.000 . 7.000 4.718 4.499 5.023 . 0 0 "[ . 1 . 2 . 3 .]" 1
1041 1 86 ARG QD 1 88 THR MG 5.000 . 5.000 5.203 5.086 5.334 0.334 11 0 "[ . 1 . 2 . 3 .]" 1
1042 1 87 ASN H 1 87 ASN QB 2.800 . 2.800 2.271 2.124 2.495 . 0 0 "[ . 1 . 2 . 3 .]" 1
1043 1 87 ASN H 1 88 THR H 5.000 . 5.000 3.033 2.737 3.490 . 0 0 "[ . 1 . 2 . 3 .]" 1
1044 1 87 ASN HA 1 87 ASN QB 2.800 . 2.800 2.457 2.158 2.596 . 0 0 "[ . 1 . 2 . 3 .]" 1
1045 1 87 ASN HA 1 88 THR H 2.800 . 2.800 2.794 2.591 2.967 0.167 17 0 "[ . 1 . 2 . 3 .]" 1
1046 1 87 ASN QB 1 88 THR H 5.000 . 5.000 3.886 3.597 4.113 . 0 0 "[ . 1 . 2 . 3 .]" 1
1047 1 88 THR H 1 88 THR HB 3.500 . 3.500 3.523 3.461 3.586 0.086 12 0 "[ . 1 . 2 . 3 .]" 1
1048 1 88 THR H 1 88 THR MG 3.500 . 3.500 2.306 2.034 2.590 . 0 0 "[ . 1 . 2 . 3 .]" 1
1049 1 88 THR H 1 89 GLY H 5.000 . 5.000 4.444 3.794 4.596 . 0 0 "[ . 1 . 2 . 3 .]" 1
1050 1 88 THR H 1 92 VAL QG 5.000 . 5.000 4.314 4.054 4.625 . 0 0 "[ . 1 . 2 . 3 .]" 1
1051 1 88 THR HA 1 88 THR HB 2.800 . 2.800 2.508 2.416 2.578 . 0 0 "[ . 1 . 2 . 3 .]" 1
1052 1 88 THR HA 1 88 THR MG 2.800 . 2.800 2.315 2.225 2.387 . 0 0 "[ . 1 . 2 . 3 .]" 1
1053 1 88 THR HA 1 89 GLY H 3.500 . 3.500 2.594 2.259 3.254 . 0 0 "[ . 1 . 2 . 3 .]" 1
1054 1 88 THR HB 1 89 GLY H 2.800 . 2.800 2.322 1.927 2.814 0.014 11 0 "[ . 1 . 2 . 3 .]" 1
1055 1 88 THR HB 1 92 VAL QG 2.800 . 2.800 2.737 2.479 2.934 0.134 29 0 "[ . 1 . 2 . 3 .]" 1
1056 1 88 THR MG 1 89 GLY H 5.000 . 5.000 3.713 3.439 3.945 . 0 0 "[ . 1 . 2 . 3 .]" 1
1057 1 88 THR MG 1 92 VAL QG 2.800 . 2.800 2.455 1.975 2.807 0.007 29 0 "[ . 1 . 2 . 3 .]" 1
1058 1 89 GLY H 1 89 GLY QA 2.800 . 2.800 2.166 2.106 2.443 . 0 0 "[ . 1 . 2 . 3 .]" 1
1059 1 89 GLY H 1 90 GLN H 5.000 . 5.000 3.427 2.677 4.570 . 0 0 "[ . 1 . 2 . 3 .]" 1
1060 1 89 GLY H 1 91 VAL H 7.000 . 7.000 4.747 3.610 5.348 . 0 0 "[ . 1 . 2 . 3 .]" 1
1061 1 89 GLY H 1 92 VAL QG 5.000 . 5.000 4.285 3.576 4.868 . 0 0 "[ . 1 . 2 . 3 .]" 1
1062 1 89 GLY QA 1 90 GLN H 2.800 . 2.800 2.304 2.107 2.562 . 0 0 "[ . 1 . 2 . 3 .]" 1
1063 1 89 GLY QA 1 91 VAL H 5.000 . 5.000 4.010 3.447 4.675 . 0 0 "[ . 1 . 2 . 3 .]" 1
1064 1 90 GLN H 1 90 GLN QB 2.800 . 2.800 2.629 2.098 2.906 0.106 8 0 "[ . 1 . 2 . 3 .]" 1
1065 1 90 GLN H 1 90 GLN QG 5.000 . 5.000 4.105 3.948 4.392 . 0 0 "[ . 1 . 2 . 3 .]" 1
1066 1 90 GLN H 1 91 VAL H 3.500 . 3.500 2.686 1.970 3.628 0.128 8 0 "[ . 1 . 2 . 3 .]" 1
1067 1 90 GLN H 1 92 VAL QG 5.000 . 5.000 4.596 3.973 5.069 0.069 28 0 "[ . 1 . 2 . 3 .]" 1
1068 1 90 GLN HA 1 90 GLN QB 2.800 . 2.800 2.375 2.312 2.469 . 0 0 "[ . 1 . 2 . 3 .]" 1
1069 1 90 GLN HA 1 90 GLN QG 3.500 . 3.500 2.504 2.243 3.078 . 0 0 "[ . 1 . 2 . 3 .]" 1
1070 1 90 GLN HA 1 91 VAL H 5.000 . 5.000 3.596 3.514 3.659 . 0 0 "[ . 1 . 2 . 3 .]" 1
1071 1 90 GLN QB 1 91 VAL H 3.500 . 3.500 2.485 2.192 2.774 . 0 0 "[ . 1 . 2 . 3 .]" 1
1072 1 90 GLN QB 1 91 VAL QG 3.500 . 3.500 3.188 3.008 3.398 . 0 0 "[ . 1 . 2 . 3 .]" 1
1073 1 90 GLN QG 1 91 VAL H 5.000 . 5.000 3.565 3.017 4.057 . 0 0 "[ . 1 . 2 . 3 .]" 1
1074 1 90 GLN QG 1 91 VAL QG 3.500 . 3.500 3.214 2.417 3.589 0.089 1 0 "[ . 1 . 2 . 3 .]" 1
1075 1 91 VAL H 1 91 VAL HB 2.800 . 2.800 2.429 2.307 2.534 . 0 0 "[ . 1 . 2 . 3 .]" 1
1076 1 91 VAL H 1 91 VAL QG 3.500 . 3.500 2.480 2.284 2.775 . 0 0 "[ . 1 . 2 . 3 .]" 1
1077 1 91 VAL H 1 92 VAL H 5.000 . 5.000 4.457 4.354 4.553 . 0 0 "[ . 1 . 2 . 3 .]" 1
1078 1 91 VAL HA 1 91 VAL QG 2.800 . 2.800 2.047 2.010 2.100 . 0 0 "[ . 1 . 2 . 3 .]" 1
1079 1 91 VAL HA 1 92 VAL H 2.800 . 2.800 2.067 2.018 2.190 . 0 0 "[ . 1 . 2 . 3 .]" 1
1080 1 91 VAL HB 1 92 VAL H 7.000 . 7.000 4.230 4.132 4.379 . 0 0 "[ . 1 . 2 . 3 .]" 1
1081 1 91 VAL QG 1 92 VAL H 3.500 . 3.500 2.519 2.403 2.760 . 0 0 "[ . 1 . 2 . 3 .]" 1
1082 1 91 VAL QG 1 93 HIS H 2.800 . 2.800 2.855 2.650 2.943 0.143 3 0 "[ . 1 . 2 . 3 .]" 1
1083 1 92 VAL H 1 92 VAL HB 3.500 . 3.500 2.631 2.325 3.674 0.174 2 0 "[ . 1 . 2 . 3 .]" 1
1084 1 92 VAL H 1 92 VAL QG 3.500 . 3.500 2.699 1.801 3.187 . 0 0 "[ . 1 . 2 . 3 .]" 1
1085 1 92 VAL HA 1 92 VAL QG 2.800 . 2.800 2.087 2.035 2.172 . 0 0 "[ . 1 . 2 . 3 .]" 1
1086 1 92 VAL HA 1 93 HIS H 2.800 . 2.800 2.184 2.106 2.265 . 0 0 "[ . 1 . 2 . 3 .]" 1
1087 1 92 VAL HB 1 93 HIS H 5.000 . 5.000 4.448 3.698 4.673 . 0 0 "[ . 1 . 2 . 3 .]" 1
1088 1 92 VAL QG 1 93 HIS H 3.500 . 3.500 3.244 2.995 3.676 0.176 35 0 "[ . 1 . 2 . 3 .]" 1
1089 1 92 VAL QG 1 93 HIS HA 5.000 . 5.000 3.927 3.664 4.328 . 0 0 "[ . 1 . 2 . 3 .]" 1
1090 1 92 VAL QG 1 93 HIS QB 7.000 . 7.000 4.371 4.108 4.950 . 0 0 "[ . 1 . 2 . 3 .]" 1
1091 1 92 VAL QG 1 94 LEU H 3.500 . 3.500 3.531 3.112 3.811 0.311 17 0 "[ . 1 . 2 . 3 .]" 1
1092 1 93 HIS H 1 93 HIS HA 2.800 . 2.800 2.863 2.809 2.906 0.106 3 0 "[ . 1 . 2 . 3 .]" 1
1093 1 93 HIS H 1 93 HIS QB 2.800 . 2.800 2.422 2.063 2.703 . 0 0 "[ . 1 . 2 . 3 .]" 1
1094 1 93 HIS H 1 94 LEU H 5.000 . 5.000 4.350 4.180 4.489 . 0 0 "[ . 1 . 2 . 3 .]" 1
1095 1 93 HIS HA 1 94 LEU H 2.800 . 2.800 2.279 2.195 2.404 . 0 0 "[ . 1 . 2 . 3 .]" 1
1096 1 93 HIS QB 1 94 LEU H 5.000 . 5.000 3.688 3.362 4.106 . 0 0 "[ . 1 . 2 . 3 .]" 1
1097 1 94 LEU H 1 94 LEU HA 2.800 . 2.800 2.884 2.829 2.927 0.127 34 0 "[ . 1 . 2 . 3 .]" 1
1098 1 94 LEU H 1 94 LEU QB 3.500 . 3.500 2.311 2.078 2.521 . 0 0 "[ . 1 . 2 . 3 .]" 1
1099 1 94 LEU H 1 94 LEU QD 5.000 . 5.000 3.313 2.123 3.566 . 0 0 "[ . 1 . 2 . 3 .]" 1
1100 1 94 LEU H 1 94 LEU HG 3.500 . 3.500 3.038 2.552 3.820 0.320 8 0 "[ . 1 . 2 . 3 .]" 1
1101 1 94 LEU H 1 95 LEU H 7.000 . 7.000 4.379 4.221 4.520 . 0 0 "[ . 1 . 2 . 3 .]" 1
1102 1 94 LEU HA 1 94 LEU QD 2.800 . 2.800 2.087 1.954 2.284 . 0 0 "[ . 1 . 2 . 3 .]" 1
1103 1 94 LEU HA 1 94 LEU HG 3.500 . 3.500 3.041 2.245 3.644 0.144 8 0 "[ . 1 . 2 . 3 .]" 1
1104 1 94 LEU HA 1 95 LEU H 2.800 . 2.800 2.222 2.159 2.321 . 0 0 "[ . 1 . 2 . 3 .]" 1
1105 1 94 LEU HA 1 95 LEU QD 7.000 . 7.000 5.263 5.063 5.393 . 0 0 "[ . 1 . 2 . 3 .]" 1
1106 1 94 LEU QB 1 94 LEU QD 2.800 . 2.800 1.955 1.902 2.090 . 0 0 "[ . 1 . 2 . 3 .]" 1
1107 1 94 LEU QB 1 94 LEU HG 2.800 . 2.800 2.383 2.103 2.516 . 0 0 "[ . 1 . 2 . 3 .]" 1
1108 1 94 LEU QB 1 95 LEU H 3.500 . 3.500 3.483 3.245 3.608 0.108 8 0 "[ . 1 . 2 . 3 .]" 1
1109 1 94 LEU QB 1 96 LEU QD 3.500 . 3.500 2.155 1.999 2.449 . 0 0 "[ . 1 . 2 . 3 .]" 1
1110 1 94 LEU QB 1 96 LEU HG 7.000 . 7.000 2.343 2.065 2.626 . 0 0 "[ . 1 . 2 . 3 .]" 1
1111 1 94 LEU QD 1 95 LEU H 3.500 . 3.500 3.501 2.730 3.643 0.143 25 0 "[ . 1 . 2 . 3 .]" 1
1112 1 95 LEU H 1 95 LEU QB 3.500 . 3.500 2.176 2.100 2.245 . 0 0 "[ . 1 . 2 . 3 .]" 1
1113 1 95 LEU H 1 95 LEU QD 3.500 . 3.500 3.776 3.635 3.814 0.314 8 0 "[ . 1 . 2 . 3 .]" 1
1114 1 95 LEU H 1 96 LEU H 5.000 . 5.000 4.114 3.951 4.223 . 0 0 "[ . 1 . 2 . 3 .]" 1
1115 1 95 LEU HA 1 95 LEU QD 2.800 . 2.800 2.107 1.985 2.823 0.023 16 0 "[ . 1 . 2 . 3 .]" 1
1116 1 95 LEU QB 1 95 LEU QD 2.800 . 2.800 1.984 1.907 2.007 . 0 0 "[ . 1 . 2 . 3 .]" 1
1117 1 95 LEU QB 1 95 LEU HG 2.800 . 2.800 2.334 2.255 2.538 . 0 0 "[ . 1 . 2 . 3 .]" 1
1118 1 95 LEU QB 1 96 LEU H 5.000 . 5.000 3.938 3.764 3.993 . 0 0 "[ . 1 . 2 . 3 .]" 1
1119 1 96 LEU H 1 96 LEU HA 2.800 . 2.800 2.904 2.885 2.933 0.133 25 0 "[ . 1 . 2 . 3 .]" 1
1120 1 96 LEU H 1 96 LEU QB 3.500 . 3.500 2.243 2.123 2.475 . 0 0 "[ . 1 . 2 . 3 .]" 1
1121 1 96 LEU H 1 96 LEU QD 3.500 . 3.500 3.038 2.690 3.400 . 0 0 "[ . 1 . 2 . 3 .]" 1
1122 1 96 LEU H 1 96 LEU HG 5.000 . 5.000 3.058 2.771 3.287 . 0 0 "[ . 1 . 2 . 3 .]" 1
1123 1 96 LEU HA 1 96 LEU QD 2.800 . 2.800 2.593 2.321 2.884 0.084 11 0 "[ . 1 . 2 . 3 .]" 1
1124 1 96 LEU HA 1 96 LEU HG 2.800 . 2.800 2.549 2.353 2.689 . 0 0 "[ . 1 . 2 . 3 .]" 1
1125 1 96 LEU HA 1 97 GLU H 3.500 . 3.500 2.224 2.136 2.314 . 0 0 "[ . 1 . 2 . 3 .]" 1
1126 1 96 LEU QB 1 96 LEU QD 2.800 . 2.800 1.904 1.864 1.953 . 0 0 "[ . 1 . 2 . 3 .]" 1
1127 1 96 LEU QB 1 97 GLU H 3.500 . 3.500 2.948 2.690 3.275 . 0 0 "[ . 1 . 2 . 3 .]" 1
1128 1 96 LEU QD 1 97 GLU H 3.500 . 3.500 3.412 2.928 3.587 0.087 6 0 "[ . 1 . 2 . 3 .]" 1
1129 1 97 GLU H 1 97 GLU QB 3.500 . 3.500 2.411 2.014 2.592 . 0 0 "[ . 1 . 2 . 3 .]" 1
1130 1 97 GLU H 1 97 GLU QG 5.000 . 5.000 4.040 3.707 4.178 . 0 0 "[ . 1 . 2 . 3 .]" 1
1131 1 97 GLU HA 1 97 GLU QG 3.500 . 3.500 2.556 2.168 3.218 . 0 0 "[ . 1 . 2 . 3 .]" 1
1132 1 97 GLU HA 1 98 LYS H 3.500 . 3.500 2.172 2.034 2.837 . 0 0 "[ . 1 . 2 . 3 .]" 1
1133 1 97 GLU QB 1 98 LYS H 3.500 . 3.500 3.559 2.650 3.731 0.231 25 0 "[ . 1 . 2 . 3 .]" 1
1134 1 97 GLU QG 1 98 LYS H 7.000 . 7.000 2.627 2.279 3.798 . 0 0 "[ . 1 . 2 . 3 .]" 1
1135 1 98 LYS H 1 98 LYS QB 3.500 . 3.500 2.198 2.012 2.695 . 0 0 "[ . 1 . 2 . 3 .]" 1
1136 1 98 LYS H 1 98 LYS QG 5.000 . 5.000 3.510 1.898 4.301 . 0 0 "[ . 1 . 2 . 3 .]" 1
1137 1 98 LYS H 1 99 GLY H 5.000 . 5.000 4.471 3.669 4.614 . 0 0 "[ . 1 . 2 . 3 .]" 1
1138 1 98 LYS HA 1 98 LYS QD 3.500 . 3.500 2.532 1.969 3.733 0.233 28 0 "[ . 1 . 2 . 3 .]" 1
1139 1 98 LYS HA 1 98 LYS QE 5.000 . 5.000 3.780 2.059 5.213 0.213 23 0 "[ . 1 . 2 . 3 .]" 1
1140 1 98 LYS QD 1 99 GLY H 5.000 . 5.000 3.537 2.260 4.805 . 0 0 "[ . 1 . 2 . 3 .]" 1
1141 1 98 LYS QE 1 98 LYS QG 2.800 . 2.800 2.375 2.075 2.922 0.122 8 0 "[ . 1 . 2 . 3 .]" 1
1142 1 98 LYS QE 1 99 GLY H 7.000 . 7.000 4.498 2.361 5.988 . 0 0 "[ . 1 . 2 . 3 .]" 1
1143 1 98 LYS QG 1 99 GLY H 5.000 . 5.000 3.738 2.906 4.960 . 0 0 "[ . 1 . 2 . 3 .]" 1
1144 1 99 GLY H 1 100 GLN H 7.000 . 7.000 3.516 2.482 4.050 . 0 0 "[ . 1 . 2 . 3 .]" 1
1145 1 99 GLY QA 1 100 GLN H 2.800 . 2.800 2.511 2.175 2.865 0.065 19 0 "[ . 1 . 2 . 3 .]" 1
1146 1 100 GLN H 1 100 GLN HA 2.800 . 2.800 2.877 2.547 2.929 0.129 4 0 "[ . 1 . 2 . 3 .]" 1
1147 1 100 GLN H 1 100 GLN QB 3.500 . 3.500 2.671 2.170 3.546 0.046 14 0 "[ . 1 . 2 . 3 .]" 1
1148 1 100 GLN H 1 100 GLN QG 5.000 . 5.000 3.560 2.100 4.348 . 0 0 "[ . 1 . 2 . 3 .]" 1
1149 1 100 GLN H 1 101 VAL HA 5.000 . 5.000 4.741 4.169 5.084 0.084 29 0 "[ . 1 . 2 . 3 .]" 1
1150 1 100 GLN HA 1 100 GLN QB 2.800 . 2.800 2.421 2.124 2.597 . 0 0 "[ . 1 . 2 . 3 .]" 1
1151 1 100 GLN HA 1 100 GLN QG 3.500 . 3.500 2.731 2.245 3.468 . 0 0 "[ . 1 . 2 . 3 .]" 1
1152 1 101 VAL H 1 101 VAL HA 2.800 . 2.800 2.835 2.286 2.921 0.121 21 0 "[ . 1 . 2 . 3 .]" 1
1153 1 101 VAL H 1 101 VAL HB 3.500 . 3.500 3.003 2.270 3.637 0.137 15 0 "[ . 1 . 2 . 3 .]" 1
1154 1 101 VAL H 1 101 VAL QG 3.500 . 3.500 2.026 1.735 2.554 . 0 0 "[ . 1 . 2 . 3 .]" 1
1155 1 101 VAL HA 1 102 PRO QD 3.500 . 3.500 2.052 1.931 2.255 . 0 0 "[ . 1 . 2 . 3 .]" 1
1156 1 101 VAL QG 1 102 PRO QD 3.500 . 3.500 2.663 2.029 3.329 . 0 0 "[ . 1 . 2 . 3 .]" 1
1157 1 102 PRO HA 1 102 PRO QD 3.500 . 3.500 3.318 2.964 3.465 . 0 0 "[ . 1 . 2 . 3 .]" 1
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