NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
373957 |
1e41   |
4333 | cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1e41
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 1023
_Distance_constraint_stats_list.Viol_count 6387
_Distance_constraint_stats_list.Viol_total 14733.554
_Distance_constraint_stats_list.Viol_max 0.939
_Distance_constraint_stats_list.Viol_rms 0.0569
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0230
_Distance_constraint_stats_list.Viol_average_violations_only 0.0923
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 MET 0.465 0.143 22 0 "[ . 1 . 2 .]"
1 5 GLY 0.629 0.134 1 0 "[ . 1 . 2 .]"
1 6 GLU 10.733 0.415 23 0 "[ . 1 . 2 .]"
1 7 GLU 9.497 0.415 23 0 "[ . 1 . 2 .]"
1 8 ASP 9.666 0.253 3 0 "[ . 1 . 2 .]"
1 9 LEU 15.653 0.298 7 0 "[ . 1 . 2 .]"
1 10 CYS 4.985 0.268 1 0 "[ . 1 . 2 .]"
1 11 ALA 18.123 0.419 5 0 "[ . 1 . 2 .]"
1 12 ALA 7.077 0.257 24 0 "[ . 1 . 2 .]"
1 13 PHE 5.333 0.223 5 0 "[ . 1 . 2 .]"
1 14 ASN 8.113 0.255 5 0 "[ . 1 . 2 .]"
1 15 VAL 12.977 0.313 19 0 "[ . 1 . 2 .]"
1 16 ILE 11.712 0.294 10 0 "[ . 1 . 2 .]"
1 17 CYS 14.268 0.313 19 0 "[ . 1 . 2 .]"
1 18 ASP 8.551 0.261 20 0 "[ . 1 . 2 .]"
1 19 ASN 23.317 0.442 5 0 "[ . 1 . 2 .]"
1 20 VAL 21.396 0.520 24 1 "[ . 1 . 2 +.]"
1 21 GLY 10.593 0.520 24 1 "[ . 1 . 2 +.]"
1 22 LYS 6.190 0.328 22 0 "[ . 1 . 2 .]"
1 23 ASP 8.080 0.278 21 0 "[ . 1 . 2 .]"
1 24 TRP 19.432 0.407 18 0 "[ . 1 . 2 .]"
1 25 ARG 5.969 0.245 9 0 "[ . 1 . 2 .]"
1 26 ARG 16.707 0.407 18 0 "[ . 1 . 2 .]"
1 27 LEU 5.547 0.255 25 0 "[ . 1 . 2 .]"
1 28 ALA 5.402 0.207 10 0 "[ . 1 . 2 .]"
1 29 ARG 12.798 0.387 19 0 "[ . 1 . 2 .]"
1 30 GLN 16.095 0.378 25 0 "[ . 1 . 2 .]"
1 31 LEU 8.516 0.165 16 0 "[ . 1 . 2 .]"
1 32 LYS 3.952 0.186 3 0 "[ . 1 . 2 .]"
1 33 VAL 6.426 0.226 20 0 "[ . 1 . 2 .]"
1 34 SER 5.671 0.226 20 0 "[ . 1 . 2 .]"
1 35 ASP 16.851 0.567 1 14 "[+**-** *1* * ** 2** *.]"
1 36 THR 20.749 0.567 1 14 "[+**-** *1* * ** 2** *.]"
1 37 LYS 15.664 0.239 19 0 "[ . 1 . 2 .]"
1 38 ILE 4.041 0.313 17 0 "[ . 1 . 2 .]"
1 39 ASP 4.067 0.209 13 0 "[ . 1 . 2 .]"
1 40 SER 13.469 0.421 21 0 "[ . 1 . 2 .]"
1 41 ILE 15.127 0.421 21 0 "[ . 1 . 2 .]"
1 42 GLU 4.686 0.337 16 0 "[ . 1 . 2 .]"
1 43 ASP 4.309 0.288 8 0 "[ . 1 . 2 .]"
1 44 ARG 6.874 0.182 16 0 "[ . 1 . 2 .]"
1 45 TYR 5.113 0.248 8 0 "[ . 1 . 2 .]"
1 46 PRO 3.207 0.258 9 0 "[ . 1 . 2 .]"
1 47 ARG 2.993 0.258 9 0 "[ . 1 . 2 .]"
1 48 ASN 4.853 0.223 9 0 "[ . 1 . 2 .]"
1 49 LEU 14.205 0.315 20 0 "[ . 1 . 2 .]"
1 50 THR 13.092 0.233 7 0 "[ . 1 . 2 .]"
1 51 GLU 2.625 0.262 6 0 "[ . 1 . 2 .]"
1 52 ARG 3.075 0.343 17 0 "[ . 1 . 2 .]"
1 53 VAL 5.803 0.252 15 0 "[ . 1 . 2 .]"
1 54 ARG 2.905 0.294 16 0 "[ . 1 . 2 .]"
1 55 GLU 7.326 0.272 21 0 "[ . 1 . 2 .]"
1 56 SER 14.295 0.726 18 4 "[ . 1 *. +-* .]"
1 57 LEU 12.466 0.294 16 0 "[ . 1 . 2 .]"
1 58 ARG 6.607 0.272 21 0 "[ . 1 . 2 .]"
1 59 ILE 7.974 0.219 1 0 "[ . 1 . 2 .]"
1 60 TRP 24.359 0.726 18 4 "[ . 1 *. +-* .]"
1 61 LYS 4.488 0.224 6 0 "[ . 1 . 2 .]"
1 62 ASN 2.784 0.159 25 0 "[ . 1 . 2 .]"
1 63 THR 8.134 0.231 18 0 "[ . 1 . 2 .]"
1 64 GLU 8.565 0.198 20 0 "[ . 1 . 2 .]"
1 65 LYS 7.551 0.246 16 0 "[ . 1 . 2 .]"
1 66 GLU 8.932 0.311 8 0 "[ . 1 . 2 .]"
1 67 ASN 5.805 0.164 9 0 "[ . 1 . 2 .]"
1 68 ALA 14.306 0.311 8 0 "[ . 1 . 2 .]"
1 69 THR 11.325 0.325 23 0 "[ . 1 . 2 .]"
1 70 VAL 6.566 0.226 25 0 "[ . 1 . 2 .]"
1 71 ALA 8.580 0.201 25 0 "[ . 1 . 2 .]"
1 72 HIS 9.547 0.447 25 0 "[ . 1 . 2 .]"
1 73 LEU 22.729 0.576 23 1 "[ . 1 . 2 + .]"
1 74 VAL 19.810 0.310 14 0 "[ . 1 . 2 .]"
1 75 GLY 5.361 0.328 5 0 "[ . 1 . 2 .]"
1 76 ALA 10.149 0.428 11 0 "[ . 1 . 2 .]"
1 77 LEU 16.165 0.330 22 0 "[ . 1 . 2 .]"
1 78 ARG 3.480 0.084 4 0 "[ . 1 . 2 .]"
1 79 SER 4.481 0.120 23 0 "[ . 1 . 2 .]"
1 80 CYS 4.864 0.174 20 0 "[ . 1 . 2 .]"
1 81 GLN 9.142 0.256 18 0 "[ . 1 . 2 .]"
1 82 MET 11.414 0.307 13 0 "[ . 1 . 2 .]"
1 83 ASN 4.122 0.122 3 0 "[ . 1 . 2 .]"
1 84 LEU 6.383 0.228 25 0 "[ . 1 . 2 .]"
1 85 VAL 24.445 0.432 7 0 "[ . 1 . 2 .]"
1 86 ALA 17.694 0.432 7 0 "[ . 1 . 2 .]"
1 87 ASP 5.426 0.122 6 0 "[ . 1 . 2 .]"
1 88 LEU 24.720 0.426 4 0 "[ . 1 . 2 .]"
1 89 VAL 24.829 0.419 5 0 "[ . 1 . 2 .]"
1 90 GLN 9.084 0.310 14 0 "[ . 1 . 2 .]"
1 91 GLU 3.480 0.186 23 0 "[ . 1 . 2 .]"
1 92 VAL 21.231 0.431 22 0 "[ . 1 . 2 .]"
1 93 GLN 14.263 0.431 22 0 "[ . 1 . 2 .]"
1 94 GLN 6.563 0.166 1 0 "[ . 1 . 2 .]"
1 95 ALA 5.300 0.231 22 0 "[ . 1 . 2 .]"
1 96 ARG 7.832 0.255 4 0 "[ . 1 . 2 .]"
1 97 ASP 5.968 0.255 4 0 "[ . 1 . 2 .]"
1 98 LEU 8.065 0.325 24 0 "[ . 1 . 2 .]"
1 99 GLN 9.519 0.939 11 1 "[ . 1+ . 2 .]"
1 100 ASN 7.862 0.939 11 1 "[ . 1+ . 2 .]"
1 101 ARG 0.976 0.259 5 0 "[ . 1 . 2 .]"
1 102 SER 0.070 0.070 6 0 "[ . 1 . 2 .]"
1 103 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 MET HA 1 5 GLY H 3.500 . 3.500 2.599 2.202 3.570 0.070 6 0 "[ . 1 . 2 .]" 1
2 1 4 MET HA 1 6 GLU H 5.000 . 5.000 4.696 3.869 5.143 0.143 22 0 "[ . 1 . 2 .]" 1
3 1 4 MET QB 1 5 GLY H 5.000 . 5.000 3.287 1.863 4.057 . 0 0 "[ . 1 . 2 .]" 1
4 1 5 GLY QA 1 6 GLU H 2.800 . 2.800 2.603 2.321 2.934 0.134 1 0 "[ . 1 . 2 .]" 1
5 1 5 GLY H 1 5 GLY QA 2.800 . 2.800 2.417 2.300 2.527 . 0 0 "[ . 1 . 2 .]" 1
6 1 5 GLY H 1 6 GLU HA 5.000 . 5.000 4.621 4.181 5.059 0.059 13 0 "[ . 1 . 2 .]" 1
7 1 5 GLY H 1 6 GLU H 2.800 . 2.800 2.438 1.757 2.900 0.100 19 0 "[ . 1 . 2 .]" 1
8 1 6 GLU HA 1 6 GLU QG 3.400 . 3.400 2.733 2.060 3.344 . 0 0 "[ . 1 . 2 .]" 1
9 1 6 GLU HA 1 7 GLU H 2.800 . 2.800 2.994 2.872 3.215 0.415 23 0 "[ . 1 . 2 .]" 1
10 1 6 GLU HA 1 9 LEU QB 3.400 . 3.400 3.075 2.577 3.566 0.166 10 0 "[ . 1 . 2 .]" 1
11 1 6 GLU HA 1 9 LEU H 5.000 . 5.000 4.435 4.046 5.011 0.011 1 0 "[ . 1 . 2 .]" 1
12 1 6 GLU HA 1 10 CYS H 5.000 . 5.000 4.738 4.030 5.062 0.062 2 0 "[ . 1 . 2 .]" 1
13 1 6 GLU QG 1 7 GLU H 5.000 . 5.000 3.968 2.687 4.849 . 0 0 "[ . 1 . 2 .]" 1
14 1 6 GLU H 1 6 GLU HA 2.800 . 2.800 2.924 2.863 2.943 0.143 10 0 "[ . 1 . 2 .]" 1
15 1 6 GLU H 1 6 GLU QB 2.800 . 2.800 2.376 2.103 2.631 . 0 0 "[ . 1 . 2 .]" 1
16 1 6 GLU H 1 6 GLU QG 2.800 . 2.800 2.342 1.815 2.828 0.028 6 0 "[ . 1 . 2 .]" 1
17 1 6 GLU H 1 7 GLU H 2.800 . 2.800 2.842 2.420 2.977 0.177 10 0 "[ . 1 . 2 .]" 1
18 1 7 GLU HA 1 7 GLU QG 3.400 . 3.400 2.859 2.256 3.344 . 0 0 "[ . 1 . 2 .]" 1
19 1 7 GLU HA 1 8 ASP H 2.800 . 2.800 2.423 2.295 3.053 0.253 3 0 "[ . 1 . 2 .]" 1
20 1 7 GLU HA 1 10 CYS QB 3.400 . 3.400 3.150 2.702 3.439 0.039 17 0 "[ . 1 . 2 .]" 1
21 1 7 GLU HA 1 10 CYS H 3.500 . 3.500 3.581 3.435 3.768 0.268 1 0 "[ . 1 . 2 .]" 1
22 1 7 GLU QB 1 8 ASP H 2.800 . 2.800 2.675 1.882 2.885 0.085 21 0 "[ . 1 . 2 .]" 1
23 1 7 GLU QG 1 8 ASP H 5.000 . 5.000 3.823 2.010 4.440 . 0 0 "[ . 1 . 2 .]" 1
24 1 7 GLU H 1 7 GLU QB 2.800 . 2.800 2.396 2.111 2.612 . 0 0 "[ . 1 . 2 .]" 1
25 1 7 GLU H 1 7 GLU QG 2.800 . 2.800 2.142 1.699 2.814 0.014 8 0 "[ . 1 . 2 .]" 1
26 1 8 ASP HA 1 9 LEU H 3.500 . 3.500 3.577 3.554 3.608 0.108 10 0 "[ . 1 . 2 .]" 1
27 1 8 ASP HA 1 10 CYS H 5.000 . 5.000 4.053 3.807 4.538 . 0 0 "[ . 1 . 2 .]" 1
28 1 8 ASP HA 1 11 ALA MB 3.400 . 3.400 3.229 2.740 3.490 0.090 2 0 "[ . 1 . 2 .]" 1
29 1 8 ASP HA 1 11 ALA H 3.500 . 3.500 3.584 3.404 3.667 0.167 21 0 "[ . 1 . 2 .]" 1
30 1 8 ASP QB 1 9 LEU H 3.400 . 3.400 2.402 1.968 3.284 . 0 0 "[ . 1 . 2 .]" 1
31 1 8 ASP QB 1 70 VAL MG2 3.700 . 3.700 3.134 1.948 3.714 0.014 22 0 "[ . 1 . 2 .]" 1
32 1 8 ASP H 1 8 ASP QB 2.800 . 2.800 2.872 2.134 2.971 0.171 6 0 "[ . 1 . 2 .]" 1
33 1 8 ASP H 1 9 LEU H 3.500 . 3.500 3.531 3.234 3.669 0.169 7 0 "[ . 1 . 2 .]" 1
34 1 8 ASP H 1 10 CYS H 5.000 . 5.000 3.543 3.298 4.301 . 0 0 "[ . 1 . 2 .]" 1
35 1 9 LEU HA 1 9 LEU MD1 3.700 . 3.700 3.014 1.961 3.836 0.136 10 0 "[ . 1 . 2 .]" 1
36 1 9 LEU HA 1 9 LEU MD2 3.700 . 3.700 2.825 1.614 3.955 0.255 22 0 "[ . 1 . 2 .]" 1
37 1 9 LEU HA 1 12 ALA MB 3.400 . 3.400 2.784 1.703 3.487 0.087 5 0 "[ . 1 . 2 .]" 1
38 1 9 LEU HA 1 12 ALA H 3.500 . 3.500 3.249 3.001 3.551 0.051 5 0 "[ . 1 . 2 .]" 1
39 1 9 LEU QB 1 10 CYS H 3.400 . 3.400 2.846 2.587 3.324 . 0 0 "[ . 1 . 2 .]" 1
40 1 9 LEU MD1 1 13 PHE QD 3.700 . 3.700 3.339 1.918 3.874 0.174 7 0 "[ . 1 . 2 .]" 1
41 1 9 LEU MD1 1 13 PHE QE 3.700 . 3.700 2.244 1.832 3.382 . 0 0 "[ . 1 . 2 .]" 1
42 1 9 LEU MD1 1 70 VAL H 5.300 . 5.300 4.976 3.549 5.370 0.070 17 0 "[ . 1 . 2 .]" 1
43 1 9 LEU MD2 1 10 CYS H 5.300 . 5.300 4.298 2.143 5.023 . 0 0 "[ . 1 . 2 .]" 1
44 1 9 LEU MD2 1 13 PHE QD 3.700 . 3.700 3.612 3.315 3.819 0.119 25 0 "[ . 1 . 2 .]" 1
45 1 9 LEU MD2 1 13 PHE QE 3.700 . 3.700 2.600 1.992 3.476 . 0 0 "[ . 1 . 2 .]" 1
46 1 9 LEU HG 1 10 CYS H 5.000 . 5.000 3.918 2.416 5.078 0.078 7 0 "[ . 1 . 2 .]" 1
47 1 9 LEU H 1 9 LEU QB 2.800 . 2.800 1.978 1.824 2.277 . 0 0 "[ . 1 . 2 .]" 1
48 1 9 LEU H 1 9 LEU MD1 3.700 . 3.700 3.776 1.921 3.983 0.283 21 0 "[ . 1 . 2 .]" 1
49 1 9 LEU H 1 9 LEU MD2 3.800 . 3.800 3.693 2.117 3.953 0.153 4 0 "[ . 1 . 2 .]" 1
50 1 9 LEU H 1 9 LEU HG 3.500 . 3.500 3.174 2.324 3.798 0.298 7 0 "[ . 1 . 2 .]" 1
51 1 9 LEU H 1 10 CYS H 2.800 . 2.800 2.604 2.366 2.755 . 0 0 "[ . 1 . 2 .]" 1
52 1 10 CYS HA 1 11 ALA H 3.500 . 3.500 3.540 3.503 3.565 0.065 6 0 "[ . 1 . 2 .]" 1
53 1 10 CYS HA 1 13 PHE H 3.500 . 3.500 3.487 3.306 3.637 0.137 7 0 "[ . 1 . 2 .]" 1
54 1 10 CYS QB 1 11 ALA MB 5.000 . 5.000 3.789 3.491 3.945 . 0 0 "[ . 1 . 2 .]" 1
55 1 10 CYS QB 1 11 ALA H 2.800 . 2.800 2.694 2.286 2.837 0.037 13 0 "[ . 1 . 2 .]" 1
56 1 10 CYS H 1 10 CYS HA 2.800 . 2.800 2.818 2.784 2.853 0.053 7 0 "[ . 1 . 2 .]" 1
57 1 10 CYS H 1 10 CYS QB 2.800 . 2.800 2.027 1.915 2.170 . 0 0 "[ . 1 . 2 .]" 1
58 1 10 CYS H 1 11 ALA H 2.800 . 2.800 2.769 2.620 2.838 0.038 17 0 "[ . 1 . 2 .]" 1
59 1 10 CYS H 1 13 PHE H 5.000 . 5.000 4.817 4.414 5.070 0.070 18 0 "[ . 1 . 2 .]" 1
60 1 11 ALA HA 1 14 ASN QB 3.400 . 3.400 2.738 2.360 3.413 0.013 5 0 "[ . 1 . 2 .]" 1
61 1 11 ALA HA 1 14 ASN QD 5.000 . 5.000 4.315 3.135 5.005 0.005 5 0 "[ . 1 . 2 .]" 1
62 1 11 ALA HA 1 14 ASN H 3.500 . 3.500 3.664 3.546 3.755 0.255 5 0 "[ . 1 . 2 .]" 1
63 1 11 ALA HA 1 89 VAL MG1 3.700 . 3.700 4.007 3.914 4.119 0.419 5 0 "[ . 1 . 2 .]" 1
64 1 11 ALA MB 1 12 ALA H 2.800 . 2.800 2.642 2.090 2.894 0.094 1 0 "[ . 1 . 2 .]" 1
65 1 11 ALA MB 1 13 PHE H 5.000 . 5.000 4.472 3.775 4.944 . 0 0 "[ . 1 . 2 .]" 1
66 1 11 ALA H 1 11 ALA HA 2.800 . 2.800 2.880 2.849 2.930 0.130 7 0 "[ . 1 . 2 .]" 1
67 1 11 ALA H 1 11 ALA MB 2.800 . 2.800 1.968 1.912 2.148 . 0 0 "[ . 1 . 2 .]" 1
68 1 12 ALA HA 1 13 PHE H 5.000 . 5.000 3.528 3.453 3.593 . 0 0 "[ . 1 . 2 .]" 1
69 1 12 ALA HA 1 15 VAL HB 3.400 . 3.400 2.507 2.057 2.793 . 0 0 "[ . 1 . 2 .]" 1
70 1 12 ALA HA 1 15 VAL H 3.500 . 3.500 3.639 3.336 3.757 0.257 24 0 "[ . 1 . 2 .]" 1
71 1 12 ALA MB 1 13 PHE QD 5.000 . 5.000 2.639 2.291 3.146 . 0 0 "[ . 1 . 2 .]" 1
72 1 12 ALA MB 1 13 PHE H 2.800 . 2.800 2.678 2.402 2.900 0.100 24 0 "[ . 1 . 2 .]" 1
73 1 12 ALA MB 1 70 VAL HA 5.000 . 5.000 2.938 1.910 4.038 . 0 0 "[ . 1 . 2 .]" 1
74 1 12 ALA MB 1 70 VAL MG1 3.700 . 3.700 2.802 2.059 3.279 . 0 0 "[ . 1 . 2 .]" 1
75 1 12 ALA MB 1 70 VAL MG2 3.700 . 3.700 3.091 1.994 3.846 0.146 12 0 "[ . 1 . 2 .]" 1
76 1 12 ALA MB 1 73 LEU MD2 3.700 . 3.700 2.489 1.543 3.574 . 0 0 "[ . 1 . 2 .]" 1
77 1 12 ALA H 1 12 ALA HA 2.800 . 2.800 2.891 2.825 2.926 0.126 16 0 "[ . 1 . 2 .]" 1
78 1 12 ALA H 1 12 ALA MB 2.800 . 2.800 2.018 1.892 2.186 . 0 0 "[ . 1 . 2 .]" 1
79 1 12 ALA H 1 13 PHE H 2.800 . 2.800 2.522 2.309 2.780 . 0 0 "[ . 1 . 2 .]" 1
80 1 13 PHE HA 1 13 PHE QD 3.400 . 3.400 2.017 1.785 2.961 . 0 0 "[ . 1 . 2 .]" 1
81 1 13 PHE HA 1 16 ILE HB 3.400 . 3.400 2.999 2.394 3.379 . 0 0 "[ . 1 . 2 .]" 1
82 1 13 PHE HA 1 16 ILE MD 3.400 . 3.400 2.266 1.562 2.899 . 0 0 "[ . 1 . 2 .]" 1
83 1 13 PHE HA 1 57 LEU MD2 3.700 . 3.700 2.789 2.200 3.181 . 0 0 "[ . 1 . 2 .]" 1
84 1 13 PHE QB 1 14 ASN H 2.800 . 2.800 2.516 2.101 2.824 0.024 17 0 "[ . 1 . 2 .]" 1
85 1 13 PHE QB 1 57 LEU MD2 3.700 . 3.700 3.172 2.409 3.700 0.000 12 0 "[ . 1 . 2 .]" 1
86 1 13 PHE QD 1 16 ILE MD 5.000 . 5.000 2.518 1.863 3.886 . 0 0 "[ . 1 . 2 .]" 1
87 1 13 PHE QD 1 57 LEU MD2 3.700 . 3.700 2.863 2.077 3.559 . 0 0 "[ . 1 . 2 .]" 1
88 1 13 PHE QD 1 73 LEU MD1 3.700 . 3.700 3.118 2.050 3.804 0.104 12 0 "[ . 1 . 2 .]" 1
89 1 13 PHE QD 1 73 LEU MD2 3.700 . 3.700 3.346 2.336 3.923 0.223 5 0 "[ . 1 . 2 .]" 1
90 1 13 PHE QE 1 73 LEU MD1 3.700 . 3.700 3.122 1.784 3.802 0.102 17 0 "[ . 1 . 2 .]" 1
91 1 13 PHE QE 1 73 LEU MD2 3.700 . 3.700 2.982 1.902 3.860 0.160 21 0 "[ . 1 . 2 .]" 1
92 1 13 PHE H 1 13 PHE QB 2.800 . 2.800 2.292 2.119 2.425 . 0 0 "[ . 1 . 2 .]" 1
93 1 13 PHE H 1 13 PHE QD 3.500 . 3.500 2.750 2.175 3.165 . 0 0 "[ . 1 . 2 .]" 1
94 1 13 PHE H 1 13 PHE QE 5.000 . 5.000 4.449 4.116 4.971 . 0 0 "[ . 1 . 2 .]" 1
95 1 13 PHE H 1 14 ASN H 3.500 . 3.500 2.447 2.175 2.860 . 0 0 "[ . 1 . 2 .]" 1
96 1 13 PHE H 1 57 LEU MD2 5.300 . 5.300 4.917 4.238 5.397 0.097 16 0 "[ . 1 . 2 .]" 1
97 1 14 ASN HA 1 15 VAL H 5.000 . 5.000 3.507 3.468 3.557 . 0 0 "[ . 1 . 2 .]" 1
98 1 14 ASN HA 1 17 CYS QB 3.400 . 3.400 2.602 2.275 2.875 . 0 0 "[ . 1 . 2 .]" 1
99 1 14 ASN HA 1 17 CYS H 3.500 . 3.500 3.545 3.367 3.673 0.173 12 0 "[ . 1 . 2 .]" 1
100 1 14 ASN QB 1 14 ASN QD 2.800 . 2.800 2.260 2.176 2.441 . 0 0 "[ . 1 . 2 .]" 1
101 1 14 ASN QB 1 15 VAL H 2.800 . 2.800 2.788 2.637 2.886 0.086 10 0 "[ . 1 . 2 .]" 1
102 1 14 ASN H 1 14 ASN HA 2.800 . 2.800 2.882 2.844 2.911 0.111 17 0 "[ . 1 . 2 .]" 1
103 1 14 ASN H 1 14 ASN QB 2.800 . 2.800 2.146 1.915 2.295 . 0 0 "[ . 1 . 2 .]" 1
104 1 14 ASN H 1 15 VAL H 3.500 . 3.500 2.494 2.336 2.623 . 0 0 "[ . 1 . 2 .]" 1
105 1 15 VAL HA 1 15 VAL MG1 3.700 . 3.700 2.767 2.631 2.945 . 0 0 "[ . 1 . 2 .]" 1
106 1 15 VAL HA 1 15 VAL MG2 3.700 . 3.700 2.020 1.880 2.168 . 0 0 "[ . 1 . 2 .]" 1
107 1 15 VAL HA 1 16 ILE H 3.500 . 3.500 3.552 3.530 3.571 0.071 10 0 "[ . 1 . 2 .]" 1
108 1 15 VAL HA 1 18 ASP QB 3.400 . 3.400 2.129 1.750 2.604 . 0 0 "[ . 1 . 2 .]" 1
109 1 15 VAL HB 1 16 ILE H 2.800 . 2.800 2.493 2.210 2.816 0.016 23 0 "[ . 1 . 2 .]" 1
110 1 15 VAL MG1 1 16 ILE H 3.100 . 3.100 1.989 1.706 2.395 . 0 0 "[ . 1 . 2 .]" 1
111 1 15 VAL MG1 1 17 CYS H 3.800 . 3.800 4.033 3.973 4.113 0.313 19 0 "[ . 1 . 2 .]" 1
112 1 15 VAL MG2 1 16 ILE H 3.800 . 3.800 3.852 3.762 3.902 0.102 23 0 "[ . 1 . 2 .]" 1
113 1 15 VAL H 1 15 VAL HB 2.800 . 2.800 1.963 1.899 2.078 . 0 0 "[ . 1 . 2 .]" 1
114 1 15 VAL H 1 15 VAL MG1 3.800 . 3.800 3.412 3.176 3.570 . 0 0 "[ . 1 . 2 .]" 1
115 1 15 VAL H 1 15 VAL MG2 3.100 . 3.100 2.949 2.684 3.198 0.098 23 0 "[ . 1 . 2 .]" 1
116 1 15 VAL H 1 16 ILE H 2.800 . 2.800 2.778 2.620 2.854 0.054 10 0 "[ . 1 . 2 .]" 1
117 1 15 VAL H 1 17 CYS H 5.000 . 5.000 3.818 3.647 3.982 . 0 0 "[ . 1 . 2 .]" 1
118 1 16 ILE HA 1 16 ILE QG 3.400 . 3.400 2.391 2.130 2.595 . 0 0 "[ . 1 . 2 .]" 1
119 1 16 ILE HA 1 16 ILE MG 3.400 . 3.400 2.457 2.258 2.895 . 0 0 "[ . 1 . 2 .]" 1
120 1 16 ILE HA 1 17 CYS H 5.000 . 5.000 3.510 3.490 3.538 . 0 0 "[ . 1 . 2 .]" 1
121 1 16 ILE HA 1 18 ASP H 5.000 . 5.000 4.373 4.217 4.532 . 0 0 "[ . 1 . 2 .]" 1
122 1 16 ILE HA 1 19 ASN H 5.000 . 5.000 4.586 4.253 5.002 0.002 14 0 "[ . 1 . 2 .]" 1
123 1 16 ILE HB 1 16 ILE MD 3.400 . 3.400 2.268 2.067 2.393 . 0 0 "[ . 1 . 2 .]" 1
124 1 16 ILE HB 1 17 CYS H 2.800 . 2.800 2.620 2.427 2.854 0.054 12 0 "[ . 1 . 2 .]" 1
125 1 16 ILE HB 1 57 LEU MD2 3.700 . 3.700 3.500 3.261 3.751 0.051 6 0 "[ . 1 . 2 .]" 1
126 1 16 ILE MD 1 57 LEU MD2 3.700 . 3.700 2.078 1.718 2.416 . 0 0 "[ . 1 . 2 .]" 1
127 1 16 ILE MD 1 60 TRP HZ3 5.000 . 5.000 4.943 3.737 5.170 0.170 6 0 "[ . 1 . 2 .]" 1
128 1 16 ILE MD 1 73 LEU MD2 3.700 . 3.700 2.533 1.606 3.733 0.033 7 0 "[ . 1 . 2 .]" 1
129 1 16 ILE MG 1 17 CYS HA 5.000 . 5.000 3.562 2.985 3.905 . 0 0 "[ . 1 . 2 .]" 1
130 1 16 ILE MG 1 17 CYS H 3.500 . 3.500 3.351 2.578 3.667 0.167 22 0 "[ . 1 . 2 .]" 1
131 1 16 ILE MG 1 57 LEU MD2 3.700 . 3.700 3.083 2.418 3.714 0.014 20 0 "[ . 1 . 2 .]" 1
132 1 16 ILE H 1 16 ILE HA 2.800 . 2.800 2.749 2.694 2.789 . 0 0 "[ . 1 . 2 .]" 1
133 1 16 ILE H 1 16 ILE HB 2.800 . 2.800 2.407 1.956 2.681 . 0 0 "[ . 1 . 2 .]" 1
134 1 16 ILE H 1 16 ILE MD 3.400 . 3.400 3.243 2.911 3.469 0.069 13 0 "[ . 1 . 2 .]" 1
135 1 16 ILE H 1 16 ILE QG 2.800 . 2.800 1.952 1.579 2.850 0.050 14 0 "[ . 1 . 2 .]" 1
136 1 16 ILE H 1 16 ILE MG 3.400 . 3.400 3.637 3.490 3.694 0.294 10 0 "[ . 1 . 2 .]" 1
137 1 16 ILE H 1 17 CYS H 3.500 . 3.500 2.812 2.723 2.956 . 0 0 "[ . 1 . 2 .]" 1
138 1 16 ILE H 1 57 LEU MD2 5.300 . 5.300 5.110 4.779 5.295 . 0 0 "[ . 1 . 2 .]" 1
139 1 17 CYS HA 1 18 ASP H 3.500 . 3.500 3.476 3.441 3.509 0.009 10 0 "[ . 1 . 2 .]" 1
140 1 17 CYS HA 1 53 VAL MG1 3.700 . 3.700 3.056 2.259 3.739 0.039 14 0 "[ . 1 . 2 .]" 1
141 1 17 CYS HA 1 53 VAL MG2 3.700 . 3.700 3.357 2.126 3.878 0.178 17 0 "[ . 1 . 2 .]" 1
142 1 17 CYS QB 1 18 ASP H 2.800 . 2.800 2.938 2.847 3.061 0.261 20 0 "[ . 1 . 2 .]" 1
143 1 17 CYS QB 1 50 THR MG 3.400 . 3.400 2.995 1.928 3.453 0.053 3 0 "[ . 1 . 2 .]" 1
144 1 17 CYS H 1 17 CYS QB 2.800 . 2.800 2.189 1.974 2.390 . 0 0 "[ . 1 . 2 .]" 1
145 1 17 CYS H 1 18 ASP H 3.500 . 3.500 2.357 2.258 2.451 . 0 0 "[ . 1 . 2 .]" 1
146 1 17 CYS H 1 19 ASN H 5.000 . 5.000 4.623 4.418 4.932 . 0 0 "[ . 1 . 2 .]" 1
147 1 17 CYS H 1 57 LEU MD2 5.300 . 5.300 5.328 5.050 5.488 0.188 24 0 "[ . 1 . 2 .]" 1
148 1 18 ASP HA 1 19 ASN H 5.000 . 5.000 3.587 3.463 3.629 . 0 0 "[ . 1 . 2 .]" 1
149 1 18 ASP HA 1 50 THR MG 5.000 . 5.000 4.960 4.450 5.104 0.104 19 0 "[ . 1 . 2 .]" 1
150 1 18 ASP QB 1 19 ASN QD 3.400 . 3.400 3.345 3.067 3.513 0.113 15 0 "[ . 1 . 2 .]" 1
151 1 18 ASP H 1 18 ASP HA 2.800 . 2.800 2.904 2.856 2.959 0.159 20 0 "[ . 1 . 2 .]" 1
152 1 18 ASP H 1 18 ASP QB 3.400 . 3.400 2.108 1.901 2.260 . 0 0 "[ . 1 . 2 .]" 1
153 1 18 ASP H 1 19 ASN H 2.800 . 2.800 2.788 2.627 2.956 0.156 14 0 "[ . 1 . 2 .]" 1
154 1 19 ASN HA 1 20 VAL H 5.000 . 5.000 3.322 2.811 3.596 . 0 0 "[ . 1 . 2 .]" 1
155 1 19 ASN QB 1 20 VAL H 3.500 . 3.500 3.078 1.734 3.942 0.442 5 0 "[ . 1 . 2 .]" 1
156 1 19 ASN QB 1 85 VAL MG1 3.700 . 3.700 3.023 1.779 3.765 0.065 7 0 "[ . 1 . 2 .]" 1
157 1 19 ASN QB 1 85 VAL MG2 3.700 . 3.700 2.146 1.564 2.684 . 0 0 "[ . 1 . 2 .]" 1
158 1 19 ASN QD 1 23 ASP HA 5.000 . 5.000 5.140 5.004 5.278 0.278 21 0 "[ . 1 . 2 .]" 1
159 1 19 ASN QD 1 85 VAL MG1 5.300 . 5.300 1.724 1.607 1.842 . 0 0 "[ . 1 . 2 .]" 1
160 1 19 ASN QD 1 88 LEU MD1 3.800 . 3.800 3.870 3.614 3.958 0.158 6 0 "[ . 1 . 2 .]" 1
161 1 19 ASN QD 1 88 LEU MD2 3.800 . 3.800 3.293 3.037 3.760 . 0 0 "[ . 1 . 2 .]" 1
162 1 19 ASN H 1 19 ASN HA 2.800 . 2.800 2.933 2.923 2.968 0.168 13 0 "[ . 1 . 2 .]" 1
163 1 19 ASN H 1 19 ASN QB 2.800 . 2.800 2.655 2.212 2.883 0.083 15 0 "[ . 1 . 2 .]" 1
164 1 19 ASN H 1 19 ASN QD 2.800 . 2.800 2.282 1.942 2.772 . 0 0 "[ . 1 . 2 .]" 1
165 1 19 ASN H 1 20 VAL HB 5.000 . 5.000 4.924 4.427 5.076 0.076 11 0 "[ . 1 . 2 .]" 1
166 1 19 ASN H 1 20 VAL MG2 5.300 . 5.300 4.021 3.436 5.508 0.208 13 0 "[ . 1 . 2 .]" 1
167 1 19 ASN H 1 20 VAL H 2.800 . 2.800 2.833 2.466 3.041 0.241 12 0 "[ . 1 . 2 .]" 1
168 1 19 ASN H 1 85 VAL MG2 3.800 . 3.800 4.030 3.913 4.133 0.333 15 0 "[ . 1 . 2 .]" 1
169 1 19 ASN H 1 88 LEU MD1 5.300 . 5.300 5.064 4.293 5.493 0.193 8 0 "[ . 1 . 2 .]" 1
170 1 20 VAL HA 1 20 VAL MG1 3.700 . 3.700 2.451 2.248 3.158 . 0 0 "[ . 1 . 2 .]" 1
171 1 20 VAL HA 1 20 VAL MG2 3.700 . 3.700 2.314 2.015 2.531 . 0 0 "[ . 1 . 2 .]" 1
172 1 20 VAL HA 1 21 GLY H 2.800 . 2.800 2.656 2.391 3.320 0.520 24 1 "[ . 1 . 2 +.]" 1
173 1 20 VAL HB 1 21 GLY H 3.500 . 3.500 3.513 3.000 3.671 0.171 13 0 "[ . 1 . 2 .]" 1
174 1 20 VAL QG 1 21 GLY H 3.400 . 3.400 2.073 1.553 3.524 0.124 22 0 "[ . 1 . 2 .]" 1
175 1 20 VAL QG 1 24 TRP H 3.500 . 3.500 3.378 3.016 3.559 0.059 13 0 "[ . 1 . 2 .]" 1
176 1 20 VAL MG1 1 21 GLY H 3.700 . 3.700 2.200 1.554 3.822 0.122 4 0 "[ . 1 . 2 .]" 1
177 1 20 VAL MG1 1 24 TRP H 3.800 . 3.800 3.709 3.138 3.948 0.148 13 0 "[ . 1 . 2 .]" 1
178 1 20 VAL MG1 1 49 LEU MD2 3.700 . 3.700 3.816 3.395 4.015 0.315 20 0 "[ . 1 . 2 .]" 1
179 1 20 VAL MG2 1 21 GLY H 3.800 . 3.800 3.668 1.665 4.156 0.356 22 0 "[ . 1 . 2 .]" 1
180 1 20 VAL MG2 1 24 TRP H 3.800 . 3.800 3.917 3.611 4.124 0.324 19 0 "[ . 1 . 2 .]" 1
181 1 20 VAL H 1 20 VAL HB 2.800 . 2.800 2.473 2.179 3.034 0.234 14 0 "[ . 1 . 2 .]" 1
182 1 20 VAL H 1 20 VAL QG 2.800 . 2.800 2.045 1.754 2.481 . 0 0 "[ . 1 . 2 .]" 1
183 1 20 VAL H 1 20 VAL MG1 3.800 . 3.800 3.665 1.824 3.970 0.170 1 0 "[ . 1 . 2 .]" 1
184 1 20 VAL H 1 20 VAL MG2 3.100 . 3.100 2.126 1.757 3.578 0.478 13 0 "[ . 1 . 2 .]" 1
185 1 20 VAL H 1 21 GLY H 5.000 . 5.000 4.277 2.676 4.707 . 0 0 "[ . 1 . 2 .]" 1
186 1 21 GLY QA 1 22 LYS H 2.800 . 2.800 2.706 2.410 2.892 0.092 9 0 "[ . 1 . 2 .]" 1
187 1 21 GLY QA 1 49 LEU MD1 5.300 . 5.300 2.798 1.702 4.970 . 0 0 "[ . 1 . 2 .]" 1
188 1 21 GLY QA 1 49 LEU MD2 5.300 . 5.300 3.763 2.403 5.316 0.016 22 0 "[ . 1 . 2 .]" 1
189 1 21 GLY H 1 21 GLY HA3 2.800 . 2.800 2.683 2.381 2.931 0.131 13 0 "[ . 1 . 2 .]" 1
190 1 21 GLY H 1 21 GLY HA2 2.800 . 2.800 2.653 2.357 2.969 0.169 11 0 "[ . 1 . 2 .]" 1
191 1 21 GLY H 1 22 LYS H 3.500 . 3.500 2.572 2.196 3.570 0.070 22 0 "[ . 1 . 2 .]" 1
192 1 21 GLY H 1 23 ASP H 3.500 . 3.500 3.436 2.636 3.661 0.161 5 0 "[ . 1 . 2 .]" 1
193 1 22 LYS HA 1 22 LYS QG 3.400 . 3.400 2.770 1.972 3.357 . 0 0 "[ . 1 . 2 .]" 1
194 1 22 LYS HA 1 23 ASP H 3.500 . 3.500 3.368 3.009 3.563 0.063 19 0 "[ . 1 . 2 .]" 1
195 1 22 LYS HA 1 24 TRP HD1 3.400 . 3.400 3.198 2.526 3.548 0.148 21 0 "[ . 1 . 2 .]" 1
196 1 22 LYS HA 1 49 LEU MD1 3.700 . 3.700 3.486 2.199 3.842 0.142 6 0 "[ . 1 . 2 .]" 1
197 1 22 LYS HA 1 49 LEU MD2 5.300 . 5.300 3.873 1.727 5.373 0.073 21 0 "[ . 1 . 2 .]" 1
198 1 22 LYS QB 1 22 LYS QE 3.400 . 3.400 2.774 1.893 3.518 0.118 19 0 "[ . 1 . 2 .]" 1
199 1 22 LYS H 1 22 LYS QB . . 2.800 2.779 1.989 3.076 0.276 6 0 "[ . 1 . 2 .]" 1
200 1 22 LYS QB 1 23 ASP H 3.500 . 3.500 3.271 2.367 3.649 0.149 10 0 "[ . 1 . 2 .]" 1
201 1 22 LYS QE 1 22 LYS QG 3.400 . 3.400 2.155 1.940 2.735 . 0 0 "[ . 1 . 2 .]" 1
202 1 22 LYS QG 1 23 ASP H 5.000 . 5.000 3.369 1.833 4.622 . 0 0 "[ . 1 . 2 .]" 1
203 1 22 LYS H 1 22 LYS QG 3.500 . 3.500 2.964 1.705 3.828 0.328 22 0 "[ . 1 . 2 .]" 1
204 1 22 LYS H 1 23 ASP H 3.500 . 3.500 1.859 1.442 2.699 . 0 0 "[ . 1 . 2 .]" 1
205 1 23 ASP HA 1 24 TRP H 3.500 . 3.500 3.156 2.521 3.542 0.042 1 0 "[ . 1 . 2 .]" 1
206 1 23 ASP HA 1 25 ARG H 5.000 . 5.000 4.846 4.480 5.245 0.245 9 0 "[ . 1 . 2 .]" 1
207 1 23 ASP HA 1 26 ARG H 5.000 . 5.000 3.919 3.223 4.941 . 0 0 "[ . 1 . 2 .]" 1
208 1 23 ASP HA 1 85 VAL MG2 5.300 . 5.300 5.138 4.595 5.470 0.170 19 0 "[ . 1 . 2 .]" 1
209 1 23 ASP QB 1 82 MET ME 3.400 . 3.400 2.995 1.871 3.567 0.167 8 0 "[ . 1 . 2 .]" 1
210 1 23 ASP H 1 23 ASP QB 2.800 . 2.800 2.383 1.914 2.883 0.083 9 0 "[ . 1 . 2 .]" 1
211 1 23 ASP H 1 24 TRP H 3.500 . 3.500 2.732 2.167 3.756 0.256 10 0 "[ . 1 . 2 .]" 1
212 1 24 TRP HA 1 25 ARG H 5.000 . 5.000 3.579 3.454 3.606 . 0 0 "[ . 1 . 2 .]" 1
213 1 24 TRP HA 1 26 ARG H 3.500 . 3.500 3.786 3.710 3.907 0.407 18 0 "[ . 1 . 2 .]" 1
214 1 24 TRP HA 1 27 LEU QB 5.000 . 5.000 3.126 2.022 4.645 . 0 0 "[ . 1 . 2 .]" 1
215 1 24 TRP HA 1 27 LEU H 5.000 . 5.000 3.539 2.910 4.579 . 0 0 "[ . 1 . 2 .]" 1
216 1 24 TRP HA 1 53 VAL MG1 3.400 . 3.400 3.353 2.567 3.621 0.221 17 0 "[ . 1 . 2 .]" 1
217 1 24 TRP HA 1 53 VAL MG2 3.700 . 3.700 3.111 1.773 3.808 0.108 12 0 "[ . 1 . 2 .]" 1
218 1 24 TRP QB 1 53 VAL MG2 3.700 . 3.700 2.119 1.602 3.798 0.098 19 0 "[ . 1 . 2 .]" 1
219 1 24 TRP HD1 1 25 ARG H 5.000 . 5.000 2.995 2.473 5.035 0.035 19 0 "[ . 1 . 2 .]" 1
220 1 24 TRP HD1 1 49 LEU MD1 5.300 . 5.300 3.571 2.222 5.336 0.036 12 0 "[ . 1 . 2 .]" 1
221 1 24 TRP HD1 1 49 LEU MD2 5.300 . 5.300 3.968 3.064 4.928 . 0 0 "[ . 1 . 2 .]" 1
222 1 24 TRP HH2 1 38 ILE MG 3.400 . 3.400 2.677 1.808 3.522 0.122 19 0 "[ . 1 . 2 .]" 1
223 1 24 TRP HH2 1 41 ILE HB 5.000 . 5.000 3.400 1.675 4.732 . 0 0 "[ . 1 . 2 .]" 1
224 1 24 TRP HH2 1 41 ILE MD 5.000 . 5.000 4.605 3.079 5.084 0.084 13 0 "[ . 1 . 2 .]" 1
225 1 24 TRP HH2 1 42 GLU QB 5.000 . 5.000 4.238 2.708 5.071 0.071 10 0 "[ . 1 . 2 .]" 1
226 1 24 TRP HH2 1 42 GLU QG 5.000 . 5.000 2.817 1.669 4.856 . 0 0 "[ . 1 . 2 .]" 1
227 1 24 TRP H 1 24 TRP HA 2.800 . 2.800 2.878 2.813 2.963 0.163 13 0 "[ . 1 . 2 .]" 1
228 1 24 TRP H 1 24 TRP QB 2.800 . 2.800 2.409 1.881 3.072 0.272 12 0 "[ . 1 . 2 .]" 1
229 1 24 TRP H 1 24 TRP HD1 2.800 . 2.800 2.639 2.018 3.074 0.274 9 0 "[ . 1 . 2 .]" 1
230 1 24 TRP H 1 25 ARG H 3.500 . 3.500 2.673 2.215 3.294 . 0 0 "[ . 1 . 2 .]" 1
231 1 24 TRP HZ3 1 28 ALA MB 5.000 . 5.000 3.407 2.439 4.851 . 0 0 "[ . 1 . 2 .]" 1
232 1 24 TRP HZ3 1 38 ILE MG 5.000 . 5.000 3.783 1.635 5.010 0.010 10 0 "[ . 1 . 2 .]" 1
233 1 24 TRP HZ3 1 41 ILE MD 5.000 . 5.000 3.795 2.772 5.057 0.057 19 0 "[ . 1 . 2 .]" 1
234 1 25 ARG HA 1 26 ARG H 5.000 . 5.000 3.420 3.312 3.481 . 0 0 "[ . 1 . 2 .]" 1
235 1 25 ARG HA 1 27 LEU H 5.000 . 5.000 4.932 4.483 5.146 0.146 19 0 "[ . 1 . 2 .]" 1
236 1 25 ARG HA 1 28 ALA MB 3.400 . 3.400 2.242 1.881 2.616 . 0 0 "[ . 1 . 2 .]" 1
237 1 25 ARG HA 1 28 ALA H 3.500 . 3.500 3.620 3.515 3.707 0.207 10 0 "[ . 1 . 2 .]" 1
238 1 25 ARG HA 1 29 ARG H 5.000 . 5.000 3.729 2.793 4.122 . 0 0 "[ . 1 . 2 .]" 1
239 1 25 ARG QB 1 25 ARG QD 3.400 . 3.400 2.138 1.939 2.514 . 0 0 "[ . 1 . 2 .]" 1
240 1 25 ARG QB 1 26 ARG H 3.400 . 3.400 3.265 2.884 3.597 0.197 25 0 "[ . 1 . 2 .]" 1
241 1 25 ARG H 1 25 ARG QB 2.800 . 2.800 2.084 1.903 2.574 . 0 0 "[ . 1 . 2 .]" 1
242 1 25 ARG H 1 25 ARG QG 3.500 . 3.500 3.022 1.952 3.671 0.171 13 0 "[ . 1 . 2 .]" 1
243 1 25 ARG H 1 26 ARG H 2.800 . 2.800 2.617 2.398 2.842 0.042 12 0 "[ . 1 . 2 .]" 1
244 1 26 ARG HA 1 26 ARG QD 3.400 . 3.400 2.567 1.804 3.453 0.053 15 0 "[ . 1 . 2 .]" 1
245 1 26 ARG HA 1 26 ARG QG 3.400 . 3.400 2.589 1.999 3.347 . 0 0 "[ . 1 . 2 .]" 1
246 1 26 ARG HA 1 27 LEU H 5.000 . 5.000 3.573 3.523 3.598 . 0 0 "[ . 1 . 2 .]" 1
247 1 26 ARG HA 1 29 ARG H 3.500 . 3.500 3.646 3.522 3.887 0.387 19 0 "[ . 1 . 2 .]" 1
248 1 26 ARG QB 1 26 ARG QD 3.400 . 3.400 2.226 1.901 2.819 . 0 0 "[ . 1 . 2 .]" 1
249 1 26 ARG QB 1 27 LEU H 3.400 . 3.400 2.297 1.965 2.552 . 0 0 "[ . 1 . 2 .]" 1
250 1 26 ARG QG 1 27 LEU H 5.000 . 5.000 3.714 2.006 4.406 . 0 0 "[ . 1 . 2 .]" 1
251 1 26 ARG H 1 26 ARG HA 2.800 . 2.800 2.930 2.885 2.948 0.148 13 0 "[ . 1 . 2 .]" 1
252 1 26 ARG H 1 26 ARG QB 2.800 . 2.800 2.196 1.968 2.548 . 0 0 "[ . 1 . 2 .]" 1
253 1 26 ARG H 1 26 ARG QD 5.000 . 5.000 3.918 2.044 4.551 . 0 0 "[ . 1 . 2 .]" 1
254 1 26 ARG H 1 26 ARG QG 3.500 . 3.500 2.905 1.928 3.899 0.399 7 0 "[ . 1 . 2 .]" 1
255 1 26 ARG H 1 27 LEU H 2.800 . 2.800 2.533 2.236 2.762 . 0 0 "[ . 1 . 2 .]" 1
256 1 27 LEU HA 1 27 LEU MD1 3.700 . 3.700 2.197 1.616 3.629 . 0 0 "[ . 1 . 2 .]" 1
257 1 27 LEU HA 1 28 ALA H 3.500 . 3.500 3.538 3.473 3.574 0.074 14 0 "[ . 1 . 2 .]" 1
258 1 27 LEU HA 1 30 GLN H 3.500 . 3.500 3.551 3.385 3.713 0.213 19 0 "[ . 1 . 2 .]" 1
259 1 27 LEU QB 1 28 ALA H 3.400 . 3.400 2.742 2.340 3.470 0.070 4 0 "[ . 1 . 2 .]" 1
260 1 27 LEU MD1 1 30 GLN H 5.300 . 5.300 4.652 4.045 5.247 . 0 0 "[ . 1 . 2 .]" 1
261 1 27 LEU MD1 1 31 LEU MD1 3.700 . 3.700 2.900 1.604 3.725 0.025 7 0 "[ . 1 . 2 .]" 1
262 1 27 LEU MD1 1 31 LEU MD2 3.700 . 3.700 2.864 2.030 3.556 . 0 0 "[ . 1 . 2 .]" 1
263 1 27 LEU MD1 1 31 LEU H 5.300 . 5.300 3.852 3.176 5.007 . 0 0 "[ . 1 . 2 .]" 1
264 1 27 LEU MD1 1 76 ALA MB 3.700 . 3.700 2.706 1.738 3.785 0.085 3 0 "[ . 1 . 2 .]" 1
265 1 27 LEU MD2 1 28 ALA H 5.300 . 5.300 4.345 3.623 4.969 . 0 0 "[ . 1 . 2 .]" 1
266 1 27 LEU HG 1 31 LEU MD1 3.700 . 3.700 2.976 1.913 3.753 0.053 6 0 "[ . 1 . 2 .]" 1
267 1 27 LEU H 1 27 LEU QB 2.800 . 2.800 2.110 1.947 2.395 . 0 0 "[ . 1 . 2 .]" 1
268 1 27 LEU H 1 27 LEU MD1 3.700 . 3.700 3.680 3.342 3.955 0.255 25 0 "[ . 1 . 2 .]" 1
269 1 27 LEU H 1 27 LEU MD2 5.000 . 5.000 3.457 1.848 4.227 . 0 0 "[ . 1 . 2 .]" 1
270 1 27 LEU H 1 27 LEU HG 5.000 . 5.000 4.183 2.081 4.585 . 0 0 "[ . 1 . 2 .]" 1
271 1 27 LEU H 1 28 ALA H 3.500 . 3.500 2.591 2.431 2.800 . 0 0 "[ . 1 . 2 .]" 1
272 1 27 LEU H 1 82 MET ME 3.400 . 3.400 3.285 2.299 3.503 0.103 9 0 "[ . 1 . 2 .]" 1
273 1 28 ALA HA 1 29 ARG H 5.000 . 5.000 3.598 3.568 3.636 . 0 0 "[ . 1 . 2 .]" 1
274 1 28 ALA HA 1 30 GLN H 5.000 . 5.000 4.792 4.431 5.043 0.043 23 0 "[ . 1 . 2 .]" 1
275 1 28 ALA HA 1 31 LEU QB 3.400 . 3.400 2.584 2.163 2.946 . 0 0 "[ . 1 . 2 .]" 1
276 1 28 ALA HA 1 31 LEU MD1 3.700 . 3.700 2.607 1.727 3.648 . 0 0 "[ . 1 . 2 .]" 1
277 1 28 ALA HA 1 33 VAL MG2 3.700 . 3.700 2.769 1.986 3.696 . 0 0 "[ . 1 . 2 .]" 1
278 1 24 TRP HE3 1 28 ALA MB 5.000 . 5.000 2.873 1.813 3.796 . 0 0 "[ . 1 . 2 .]" 1
279 1 28 ALA MB 1 29 ARG H 3.400 . 3.400 2.237 2.085 2.454 . 0 0 "[ . 1 . 2 .]" 1
280 1 28 ALA MB 1 38 ILE MD 3.400 . 3.400 2.723 1.865 3.312 . 0 0 "[ . 1 . 2 .]" 1
281 1 28 ALA MB 1 38 ILE QG 3.400 . 3.400 2.780 2.034 3.412 0.012 4 0 "[ . 1 . 2 .]" 1
282 1 28 ALA MB 1 56 SER QB 5.000 . 5.000 3.126 2.355 4.528 . 0 0 "[ . 1 . 2 .]" 1
283 1 28 ALA H 1 28 ALA HA 2.800 . 2.800 2.843 2.753 2.895 0.095 19 0 "[ . 1 . 2 .]" 1
284 1 28 ALA H 1 28 ALA MB 2.800 . 2.800 2.091 1.927 2.179 . 0 0 "[ . 1 . 2 .]" 1
285 1 28 ALA H 1 29 ARG H 3.500 . 3.500 2.844 2.597 3.198 . 0 0 "[ . 1 . 2 .]" 1
286 1 29 ARG HA 1 29 ARG QD 3.400 . 3.400 2.782 1.666 3.740 0.340 16 0 "[ . 1 . 2 .]" 1
287 1 29 ARG HA 1 29 ARG QG 3.400 . 3.400 2.408 1.984 3.450 0.050 25 0 "[ . 1 . 2 .]" 1
288 1 29 ARG HA 1 30 GLN H 3.400 . 3.400 3.533 3.515 3.564 0.164 19 0 "[ . 1 . 2 .]" 1
289 1 29 ARG HA 1 33 VAL H 3.500 . 3.500 2.640 2.172 3.038 . 0 0 "[ . 1 . 2 .]" 1
290 1 29 ARG HA 1 38 ILE MD 3.400 . 3.400 3.193 2.881 3.566 0.166 19 0 "[ . 1 . 2 .]" 1
291 1 29 ARG QB 1 30 GLN H 2.800 . 2.800 2.372 2.105 3.178 0.378 25 0 "[ . 1 . 2 .]" 1
292 1 29 ARG QD 1 38 ILE MD 5.000 . 5.000 3.272 1.652 5.090 0.090 16 0 "[ . 1 . 2 .]" 1
293 1 29 ARG QG 1 38 ILE MD 3.400 . 3.400 2.438 1.749 3.506 0.106 16 0 "[ . 1 . 2 .]" 1
294 1 29 ARG H 1 29 ARG QB 2.800 . 2.800 2.157 1.959 2.737 . 0 0 "[ . 1 . 2 .]" 1
295 1 29 ARG H 1 29 ARG QD 5.000 . 5.000 4.034 2.332 4.480 . 0 0 "[ . 1 . 2 .]" 1
296 1 29 ARG H 1 29 ARG QG 2.800 . 2.800 2.583 1.543 2.990 0.190 21 0 "[ . 1 . 2 .]" 1
297 1 29 ARG H 1 30 GLN H 2.800 . 2.800 2.868 2.697 2.942 0.142 14 0 "[ . 1 . 2 .]" 1
298 1 29 ARG H 1 38 ILE MD 3.500 . 3.500 3.421 2.716 3.813 0.313 17 0 "[ . 1 . 2 .]" 1
299 1 30 GLN HA 1 31 LEU H 3.500 . 3.500 3.551 3.514 3.573 0.073 20 0 "[ . 1 . 2 .]" 1
300 1 30 GLN HA 1 32 LYS H 3.500 . 3.500 3.529 3.299 3.652 0.152 6 0 "[ . 1 . 2 .]" 1
301 1 30 GLN QB 1 31 LEU H 3.400 . 3.400 2.642 2.298 3.336 . 0 0 "[ . 1 . 2 .]" 1
302 1 30 GLN QE 1 76 ALA MB 5.000 . 5.000 3.742 1.794 5.052 0.052 22 0 "[ . 1 . 2 .]" 1
303 1 30 GLN QG 1 76 ALA HA 5.000 . 5.000 3.479 2.216 4.821 . 0 0 "[ . 1 . 2 .]" 1
304 1 30 GLN QG 1 76 ALA MB 3.400 . 3.400 2.986 2.068 3.480 0.080 1 0 "[ . 1 . 2 .]" 1
305 1 30 GLN H 1 30 GLN HA 2.800 . 2.800 2.813 2.780 2.856 0.056 20 0 "[ . 1 . 2 .]" 1
306 1 30 GLN H 1 30 GLN QB 2.800 . 2.800 1.987 1.866 2.453 . 0 0 "[ . 1 . 2 .]" 1
307 1 30 GLN H 1 30 GLN QG 3.500 . 3.500 3.394 1.848 3.792 0.292 22 0 "[ . 1 . 2 .]" 1
308 1 30 GLN H 1 31 LEU MD2 5.300 . 5.300 5.379 5.124 5.465 0.165 16 0 "[ . 1 . 2 .]" 1
309 1 30 GLN H 1 31 LEU H 2.800 . 2.800 2.830 2.734 2.943 0.143 9 0 "[ . 1 . 2 .]" 1
310 1 31 LEU HA 1 31 LEU MD1 3.700 . 3.700 3.745 3.630 3.862 0.162 4 0 "[ . 1 . 2 .]" 1
311 1 31 LEU HA 1 31 LEU MD2 3.700 . 3.700 1.916 1.694 2.301 . 0 0 "[ . 1 . 2 .]" 1
312 1 31 LEU HA 1 32 LYS H 3.500 . 3.500 3.388 3.293 3.483 . 0 0 "[ . 1 . 2 .]" 1
313 1 31 LEU QB 1 32 LYS H 3.400 . 3.400 3.049 2.814 3.267 . 0 0 "[ . 1 . 2 .]" 1
314 1 31 LEU QB 1 60 TRP HD1 3.400 . 3.400 1.779 1.540 2.522 . 0 0 "[ . 1 . 2 .]" 1
315 1 31 LEU MD1 1 33 VAL MG2 5.300 . 5.300 3.514 2.717 3.892 . 0 0 "[ . 1 . 2 .]" 1
316 1 31 LEU MD1 1 60 TRP QB 5.300 . 5.300 2.247 1.771 3.089 . 0 0 "[ . 1 . 2 .]" 1
317 1 31 LEU MD1 1 60 TRP H 5.300 . 5.300 4.687 4.225 5.343 0.043 6 0 "[ . 1 . 2 .]" 1
318 1 31 LEU MD1 1 73 LEU MD2 5.300 . 5.300 3.996 2.686 5.323 0.023 17 0 "[ . 1 . 2 .]" 1
319 1 31 LEU MD1 1 76 ALA MB 5.300 . 5.300 4.405 3.797 4.921 . 0 0 "[ . 1 . 2 .]" 1
320 1 31 LEU MD2 1 32 LYS H 5.300 . 5.300 4.562 4.431 4.742 . 0 0 "[ . 1 . 2 .]" 1
321 1 31 LEU MD2 1 57 LEU MD2 5.300 . 5.300 4.943 3.649 5.393 0.093 14 0 "[ . 1 . 2 .]" 1
322 1 31 LEU MD2 1 60 TRP HD1 3.700 . 3.700 2.199 1.773 3.169 . 0 0 "[ . 1 . 2 .]" 1
323 1 31 LEU MD2 1 73 LEU MD1 3.700 . 3.700 3.353 1.829 3.780 0.080 20 0 "[ . 1 . 2 .]" 1
324 1 31 LEU MD2 1 73 LEU MD2 5.300 . 5.300 3.439 1.648 5.025 . 0 0 "[ . 1 . 2 .]" 1
325 1 31 LEU MD2 1 76 ALA MB 3.700 . 3.700 2.625 2.198 2.960 . 0 0 "[ . 1 . 2 .]" 1
326 1 31 LEU MD2 1 76 ALA H 5.300 . 5.300 5.166 4.389 5.460 0.160 9 0 "[ . 1 . 2 .]" 1
327 1 31 LEU HG 1 32 LYS H 5.000 . 5.000 4.451 4.136 4.652 . 0 0 "[ . 1 . 2 .]" 1
328 1 31 LEU H 1 31 LEU HA 2.800 . 2.800 2.840 2.760 2.899 0.099 12 0 "[ . 1 . 2 .]" 1
329 1 31 LEU H 1 31 LEU QB 2.800 . 2.800 2.296 2.183 2.440 . 0 0 "[ . 1 . 2 .]" 1
330 1 31 LEU H 1 31 LEU MD1 3.700 . 3.700 3.537 3.198 3.802 0.102 18 0 "[ . 1 . 2 .]" 1
331 1 31 LEU H 1 31 LEU MD2 3.800 . 3.800 3.246 3.043 3.504 . 0 0 "[ . 1 . 2 .]" 1
332 1 31 LEU H 1 31 LEU HG 2.800 . 2.800 2.145 1.824 2.449 . 0 0 "[ . 1 . 2 .]" 1
333 1 31 LEU H 1 32 LYS H 2.800 . 2.800 2.613 2.444 2.800 . 0 0 "[ . 1 . 2 .]" 1
334 1 31 LEU H 1 33 VAL MG2 5.300 . 5.300 4.370 4.059 4.816 . 0 0 "[ . 1 . 2 .]" 1
335 1 31 LEU H 1 76 ALA MB 5.000 . 5.000 4.531 3.879 5.062 0.062 5 0 "[ . 1 . 2 .]" 1
336 1 32 LYS HA 1 32 LYS QG 3.400 . 3.400 2.729 1.928 3.369 . 0 0 "[ . 1 . 2 .]" 1
337 1 32 LYS HA 1 33 VAL H 2.800 . 2.800 2.824 2.712 2.975 0.175 22 0 "[ . 1 . 2 .]" 1
338 1 32 LYS QB 1 32 LYS QD 3.400 . 3.400 2.056 1.885 2.425 . 0 0 "[ . 1 . 2 .]" 1
339 1 32 LYS QB 1 33 VAL H 5.000 . 5.000 3.959 3.834 4.097 . 0 0 "[ . 1 . 2 .]" 1
340 1 32 LYS H 1 32 LYS HA 2.800 . 2.800 2.409 2.347 2.512 . 0 0 "[ . 1 . 2 .]" 1
341 1 32 LYS H 1 32 LYS QB 3.400 . 3.400 3.344 3.070 3.475 0.075 2 0 "[ . 1 . 2 .]" 1
342 1 32 LYS H 1 32 LYS QG 3.400 . 3.400 3.221 2.730 3.586 0.186 3 0 "[ . 1 . 2 .]" 1
343 1 32 LYS H 1 33 VAL MG2 5.300 . 5.300 3.887 3.445 4.320 . 0 0 "[ . 1 . 2 .]" 1
344 1 32 LYS H 1 33 VAL H 2.800 . 2.800 2.260 1.986 2.439 . 0 0 "[ . 1 . 2 .]" 1
345 1 33 VAL HA 1 33 VAL MG1 3.700 . 3.700 2.565 2.316 2.715 . 0 0 "[ . 1 . 2 .]" 1
346 1 33 VAL HA 1 33 VAL MG2 3.700 . 3.700 2.141 1.994 2.309 . 0 0 "[ . 1 . 2 .]" 1
347 1 33 VAL HA 1 34 SER H 2.800 . 2.800 2.206 2.155 2.373 . 0 0 "[ . 1 . 2 .]" 1
348 1 28 ALA MB 1 33 VAL HB 3.400 . 3.400 2.686 2.328 3.122 . 0 0 "[ . 1 . 2 .]" 1
349 1 33 VAL HB 1 38 ILE MD 3.400 . 3.400 3.076 2.240 3.499 0.099 25 0 "[ . 1 . 2 .]" 1
350 1 33 VAL MG1 1 34 SER H 3.100 . 3.100 2.696 1.919 3.089 . 0 0 "[ . 1 . 2 .]" 1
351 1 33 VAL MG1 1 37 LYS H 3.800 . 3.800 3.554 2.802 3.883 0.083 21 0 "[ . 1 . 2 .]" 1
352 1 33 VAL MG1 1 38 ILE QG 3.700 . 3.700 1.916 1.637 2.570 . 0 0 "[ . 1 . 2 .]" 1
353 1 33 VAL MG1 1 38 ILE H 3.800 . 3.800 2.766 2.363 2.990 . 0 0 "[ . 1 . 2 .]" 1
354 1 33 VAL MG2 1 34 SER H 3.700 . 3.700 3.785 3.606 3.926 0.226 20 0 "[ . 1 . 2 .]" 1
355 1 33 VAL MG2 1 56 SER HA 3.700 . 3.700 3.680 3.044 3.862 0.162 12 0 "[ . 1 . 2 .]" 1
356 1 33 VAL MG2 1 56 SER QB 3.700 . 3.700 2.523 1.702 3.326 . 0 0 "[ . 1 . 2 .]" 1
357 1 33 VAL MG2 1 60 TRP HA 5.300 . 5.300 3.114 2.653 3.575 . 0 0 "[ . 1 . 2 .]" 1
358 1 33 VAL MG2 1 60 TRP QB 5.300 . 5.300 3.343 2.915 3.873 . 0 0 "[ . 1 . 2 .]" 1
359 1 33 VAL MG2 1 60 TRP H 3.800 . 3.800 3.874 3.768 3.969 0.169 10 0 "[ . 1 . 2 .]" 1
360 1 33 VAL H 1 33 VAL HB 2.800 . 2.800 2.244 2.100 2.461 . 0 0 "[ . 1 . 2 .]" 1
361 1 33 VAL H 1 33 VAL MG2 3.100 . 3.100 2.812 2.435 3.100 . 0 0 "[ . 1 . 2 .]" 1
362 1 33 VAL H 1 34 SER H 5.000 . 5.000 4.510 4.353 4.684 . 0 0 "[ . 1 . 2 .]" 1
363 1 34 SER HA 1 35 ASP H 3.400 . 3.400 2.446 2.262 3.350 . 0 0 "[ . 1 . 2 .]" 1
364 1 34 SER QB 1 35 ASP H 3.400 . 3.400 3.057 2.583 3.497 0.097 23 0 "[ . 1 . 2 .]" 1
365 1 34 SER H 1 34 SER HA 2.800 . 2.800 2.898 2.813 2.967 0.167 20 0 "[ . 1 . 2 .]" 1
366 1 34 SER H 1 34 SER QB 2.800 . 2.800 2.204 1.944 2.736 . 0 0 "[ . 1 . 2 .]" 1
367 1 34 SER H 1 35 ASP H 5.000 . 5.000 4.493 2.605 4.688 . 0 0 "[ . 1 . 2 .]" 1
368 1 34 SER H 1 37 LYS QB 3.400 . 3.400 3.350 3.000 3.501 0.101 5 0 "[ . 1 . 2 .]" 1
369 1 34 SER H 1 37 LYS QG 5.000 . 5.000 4.244 3.426 4.981 . 0 0 "[ . 1 . 2 .]" 1
370 1 34 SER H 1 37 LYS H 5.000 . 5.000 4.181 3.821 4.563 . 0 0 "[ . 1 . 2 .]" 1
371 1 35 ASP HA 1 36 THR H 2.800 . 2.800 3.304 3.264 3.367 0.567 1 14 "[+**-** *1* * ** 2** *.]" 1
372 1 35 ASP HA 1 37 LYS H 3.500 . 3.500 3.608 3.564 3.681 0.181 18 0 "[ . 1 . 2 .]" 1
373 1 35 ASP HA 1 38 ILE HB 3.400 . 3.400 2.138 1.702 2.698 . 0 0 "[ . 1 . 2 .]" 1
374 1 35 ASP HA 1 38 ILE MD 3.400 . 3.400 2.474 1.876 3.099 . 0 0 "[ . 1 . 2 .]" 1
375 1 35 ASP QB 1 36 THR H 3.500 . 3.500 3.089 2.739 3.563 0.063 22 0 "[ . 1 . 2 .]" 1
376 1 35 ASP H 1 35 ASP HA 2.800 . 2.800 2.801 2.324 2.871 0.071 1 0 "[ . 1 . 2 .]" 1
377 1 35 ASP H 1 35 ASP QB 2.800 . 2.800 2.230 1.931 2.936 0.136 23 0 "[ . 1 . 2 .]" 1
378 1 35 ASP H 1 36 THR H 2.800 . 2.800 2.582 2.430 2.864 0.064 5 0 "[ . 1 . 2 .]" 1
379 1 36 THR HA 1 36 THR MG 3.400 . 3.400 2.263 1.959 2.685 . 0 0 "[ . 1 . 2 .]" 1
380 1 36 THR HA 1 37 LYS H 5.000 . 5.000 3.485 3.436 3.503 . 0 0 "[ . 1 . 2 .]" 1
381 1 36 THR HA 1 39 ASP QB 3.400 . 3.400 3.214 2.770 3.453 0.053 10 0 "[ . 1 . 2 .]" 1
382 1 36 THR HB 1 37 LYS H 2.800 . 2.800 2.874 2.816 2.933 0.133 21 0 "[ . 1 . 2 .]" 1
383 1 36 THR MG 1 37 LYS H 5.000 . 5.000 3.783 3.025 4.155 . 0 0 "[ . 1 . 2 .]" 1
384 1 36 THR H 1 36 THR HA 2.800 . 2.800 2.860 2.840 2.893 0.093 5 0 "[ . 1 . 2 .]" 1
385 1 36 THR H 1 36 THR HB 2.800 . 2.800 2.510 1.999 2.896 0.096 7 0 "[ . 1 . 2 .]" 1
386 1 36 THR H 1 36 THR MG 3.400 . 3.400 3.557 3.480 3.631 0.231 4 0 "[ . 1 . 2 .]" 1
387 1 36 THR H 1 37 LYS H 2.800 . 2.800 2.483 2.191 2.567 . 0 0 "[ . 1 . 2 .]" 1
388 1 37 LYS HA 1 37 LYS QE 5.000 . 5.000 3.997 2.545 4.998 . 0 0 "[ . 1 . 2 .]" 1
389 1 37 LYS HA 1 37 LYS QG 3.400 . 3.400 2.472 1.997 3.204 . 0 0 "[ . 1 . 2 .]" 1
390 1 37 LYS HA 1 38 ILE H 3.500 . 3.500 3.564 3.536 3.587 0.087 1 0 "[ . 1 . 2 .]" 1
391 1 37 LYS HA 1 40 SER H 2.800 . 2.800 2.934 2.857 3.007 0.207 17 0 "[ . 1 . 2 .]" 1
392 1 37 LYS HA 1 41 ILE H 5.000 . 5.000 3.732 3.138 4.405 . 0 0 "[ . 1 . 2 .]" 1
393 1 37 LYS QB 1 38 ILE H 2.800 . 2.800 2.539 2.306 2.771 . 0 0 "[ . 1 . 2 .]" 1
394 1 37 LYS QE 1 59 ILE MD 3.400 . 3.400 2.863 1.796 3.486 0.086 18 0 "[ . 1 . 2 .]" 1
395 1 37 LYS QE 1 59 ILE MG 5.000 . 5.000 2.592 1.793 4.417 . 0 0 "[ . 1 . 2 .]" 1
396 1 37 LYS QE 1 37 LYS QG 3.400 . 3.400 2.178 1.944 2.606 . 0 0 "[ . 1 . 2 .]" 1
397 1 37 LYS H 1 37 LYS HA 2.800 . 2.800 2.949 2.922 2.968 0.168 20 0 "[ . 1 . 2 .]" 1
398 1 37 LYS H 1 37 LYS QB 2.800 . 2.800 2.101 1.979 2.266 . 0 0 "[ . 1 . 2 .]" 1
399 1 37 LYS H 1 37 LYS QG 3.500 . 3.500 3.307 2.783 3.739 0.239 19 0 "[ . 1 . 2 .]" 1
400 1 37 LYS H 1 38 ILE H 2.800 . 2.800 2.313 2.073 2.586 . 0 0 "[ . 1 . 2 .]" 1
401 1 38 ILE HA 1 38 ILE QG 3.400 . 3.400 2.242 2.080 2.354 . 0 0 "[ . 1 . 2 .]" 1
402 1 38 ILE HA 1 38 ILE MG 3.400 . 3.400 2.596 2.422 2.846 . 0 0 "[ . 1 . 2 .]" 1
403 1 38 ILE HA 1 40 SER H 5.000 . 5.000 4.155 3.859 4.528 . 0 0 "[ . 1 . 2 .]" 1
404 1 38 ILE HA 1 41 ILE HB 3.400 . 3.400 2.672 2.193 3.339 . 0 0 "[ . 1 . 2 .]" 1
405 1 38 ILE HB 1 38 ILE MD 3.400 . 3.400 2.185 2.019 2.407 . 0 0 "[ . 1 . 2 .]" 1
406 1 38 ILE HB 1 39 ASP H 2.800 . 2.800 2.728 2.528 2.848 0.048 19 0 "[ . 1 . 2 .]" 1
407 1 38 ILE HB 1 40 SER H 5.000 . 5.000 4.892 4.715 5.005 0.005 25 0 "[ . 1 . 2 .]" 1
408 1 38 ILE MD 1 39 ASP H 5.000 . 5.000 4.477 4.267 4.696 . 0 0 "[ . 1 . 2 .]" 1
409 1 38 ILE QG 1 39 ASP H 5.000 . 5.000 4.250 4.021 4.389 . 0 0 "[ . 1 . 2 .]" 1
410 1 38 ILE MG 1 39 ASP H 3.400 . 3.400 3.123 2.431 3.444 0.044 21 0 "[ . 1 . 2 .]" 1
411 1 38 ILE H 1 38 ILE HB 2.800 . 2.800 2.214 1.957 2.399 . 0 0 "[ . 1 . 2 .]" 1
412 1 38 ILE H 1 38 ILE MD 3.400 . 3.400 3.159 2.460 3.430 0.030 5 0 "[ . 1 . 2 .]" 1
413 1 38 ILE H 1 38 ILE QG 3.400 . 3.400 2.472 1.961 3.105 . 0 0 "[ . 1 . 2 .]" 1
414 1 38 ILE H 1 39 ASP H 2.800 . 2.800 2.749 2.580 2.812 0.012 20 0 "[ . 1 . 2 .]" 1
415 1 38 ILE H 1 40 SER H 5.000 . 5.000 3.998 3.895 4.156 . 0 0 "[ . 1 . 2 .]" 1
416 1 39 ASP HA 1 40 SER H 3.500 . 3.500 3.522 3.495 3.545 0.045 25 0 "[ . 1 . 2 .]" 1
417 1 39 ASP HA 1 42 GLU QB 3.400 . 3.400 2.606 2.192 3.609 0.209 13 0 "[ . 1 . 2 .]" 1
418 1 39 ASP QB 1 40 SER H 2.800 . 2.800 2.796 2.651 2.880 0.080 2 0 "[ . 1 . 2 .]" 1
419 1 39 ASP H 1 39 ASP HA 2.800 . 2.800 2.886 2.851 2.920 0.120 25 0 "[ . 1 . 2 .]" 1
420 1 39 ASP H 1 39 ASP QB 2.800 . 2.800 2.087 1.950 2.337 . 0 0 "[ . 1 . 2 .]" 1
421 1 39 ASP H 1 40 SER H 2.800 . 2.800 2.511 2.397 2.618 . 0 0 "[ . 1 . 2 .]" 1
422 1 40 SER HA 1 41 ILE H 5.000 . 5.000 3.537 3.454 3.577 . 0 0 "[ . 1 . 2 .]" 1
423 1 40 SER HA 1 43 ASP QB 3.400 . 3.400 2.603 1.773 2.935 . 0 0 "[ . 1 . 2 .]" 1
424 1 40 SER QB 1 41 ILE H 3.500 . 3.500 2.367 1.978 3.318 . 0 0 "[ . 1 . 2 .]" 1
425 1 40 SER H 1 40 SER HA 2.800 . 2.800 2.913 2.878 2.938 0.138 2 0 "[ . 1 . 2 .]" 1
426 1 40 SER H 1 40 SER QB 2.800 . 2.800 2.106 1.927 2.635 . 0 0 "[ . 1 . 2 .]" 1
427 1 40 SER H 1 41 ILE MG 5.000 . 5.000 5.244 5.106 5.421 0.421 21 0 "[ . 1 . 2 .]" 1
428 1 40 SER H 1 41 ILE H 2.800 . 2.800 2.502 2.183 2.847 0.047 22 0 "[ . 1 . 2 .]" 1
429 1 41 ILE HA 1 41 ILE MD 3.400 . 3.400 2.931 1.719 3.585 0.185 20 0 "[ . 1 . 2 .]" 1
430 1 41 ILE HA 1 41 ILE QG 3.400 . 3.400 2.376 1.959 3.208 . 0 0 "[ . 1 . 2 .]" 1
431 1 41 ILE HA 1 41 ILE MG 3.400 . 3.400 2.602 2.140 2.818 . 0 0 "[ . 1 . 2 .]" 1
432 1 41 ILE HA 1 44 ARG QB 5.000 . 5.000 2.653 2.267 3.150 . 0 0 "[ . 1 . 2 .]" 1
433 1 41 ILE HA 1 44 ARG H 3.400 . 3.400 3.416 3.146 3.512 0.112 20 0 "[ . 1 . 2 .]" 1
434 1 41 ILE HA 1 45 TYR QD 5.000 . 5.000 3.678 2.486 4.894 . 0 0 "[ . 1 . 2 .]" 1
435 1 41 ILE HB 1 41 ILE MD 3.400 . 3.400 2.390 1.882 3.198 . 0 0 "[ . 1 . 2 .]" 1
436 1 41 ILE HB 1 42 GLU H 3.400 . 3.400 2.566 2.139 2.935 . 0 0 "[ . 1 . 2 .]" 1
437 1 41 ILE MD 1 42 GLU H 5.000 . 5.000 4.345 4.183 4.522 . 0 0 "[ . 1 . 2 .]" 1
438 1 41 ILE MD 1 56 SER HA 3.400 . 3.400 3.283 2.875 3.490 0.090 2 0 "[ . 1 . 2 .]" 1
439 1 41 ILE MD 1 56 SER QB 5.000 . 5.000 3.709 2.872 4.573 . 0 0 "[ . 1 . 2 .]" 1
440 1 41 ILE MD 1 56 SER H 3.500 . 3.500 3.375 3.185 3.642 0.142 22 0 "[ . 1 . 2 .]" 1
441 1 24 TRP HH2 1 41 ILE MG 5.000 . 5.000 2.563 1.712 3.379 . 0 0 "[ . 1 . 2 .]" 1
442 1 24 TRP HZ3 1 41 ILE MG 5.000 . 5.000 2.740 1.917 4.151 . 0 0 "[ . 1 . 2 .]" 1
443 1 41 ILE MG 1 42 GLU H 3.500 . 3.500 2.816 2.364 3.584 0.084 19 0 "[ . 1 . 2 .]" 1
444 1 41 ILE MG 1 45 TYR QD 3.400 . 3.400 2.814 1.744 3.456 0.056 14 0 "[ . 1 . 2 .]" 1
445 1 41 ILE MG 1 45 TYR QE 5.000 . 5.000 4.124 2.866 4.963 . 0 0 "[ . 1 . 2 .]" 1
446 1 41 ILE MG 1 52 ARG HA 3.400 . 3.400 2.489 1.665 3.454 0.054 24 0 "[ . 1 . 2 .]" 1
447 1 41 ILE MG 1 55 GLU QB 3.400 . 3.400 3.016 1.855 3.560 0.160 22 0 "[ . 1 . 2 .]" 1
448 1 41 ILE H 1 41 ILE HA 2.800 . 2.800 2.802 2.776 2.863 0.063 13 0 "[ . 1 . 2 .]" 1
449 1 41 ILE H 1 41 ILE HB 2.800 . 2.800 2.124 1.910 2.716 . 0 0 "[ . 1 . 2 .]" 1
450 1 41 ILE H 1 41 ILE MD 2.800 . 2.800 2.804 2.530 2.975 0.175 22 0 "[ . 1 . 2 .]" 1
451 1 41 ILE H 1 41 ILE QG 2.800 . 2.800 2.558 1.650 2.984 0.184 16 0 "[ . 1 . 2 .]" 1
452 1 41 ILE H 1 42 GLU H 2.800 . 2.800 2.818 2.679 2.882 0.082 16 0 "[ . 1 . 2 .]" 1
453 1 42 GLU HA 1 42 GLU QG 3.400 . 3.400 2.306 1.969 3.388 . 0 0 "[ . 1 . 2 .]" 1
454 1 42 GLU HA 1 43 ASP H 3.500 . 3.500 3.544 3.480 3.570 0.070 23 0 "[ . 1 . 2 .]" 1
455 1 42 GLU QB 1 43 ASP H 2.800 . 2.800 2.635 2.452 3.088 0.288 8 0 "[ . 1 . 2 .]" 1
456 1 42 GLU H 1 42 GLU HA 2.800 . 2.800 2.837 2.808 2.880 0.080 14 0 "[ . 1 . 2 .]" 1
457 1 42 GLU H 1 42 GLU QB 2.800 . 2.800 2.114 1.850 2.588 . 0 0 "[ . 1 . 2 .]" 1
458 1 42 GLU H 1 42 GLU QG 2.800 . 2.800 2.597 1.761 3.137 0.337 16 0 "[ . 1 . 2 .]" 1
459 1 42 GLU H 1 43 ASP H 2.800 . 2.800 2.727 2.519 2.881 0.081 13 0 "[ . 1 . 2 .]" 1
460 1 43 ASP HA 1 44 ARG H 3.500 . 3.500 3.523 3.416 3.564 0.064 17 0 "[ . 1 . 2 .]" 1
461 1 43 ASP QB 1 44 ARG H 3.400 . 3.400 2.799 2.498 3.189 . 0 0 "[ . 1 . 2 .]" 1
462 1 43 ASP H 1 43 ASP HA 2.800 . 2.800 2.866 2.826 2.903 0.103 25 0 "[ . 1 . 2 .]" 1
463 1 43 ASP H 1 43 ASP QB 2.800 . 2.800 2.037 1.905 2.229 . 0 0 "[ . 1 . 2 .]" 1
464 1 43 ASP H 1 44 ARG H 2.800 . 2.800 2.638 2.517 2.792 . 0 0 "[ . 1 . 2 .]" 1
465 1 44 ARG HA 1 44 ARG QD 3.400 . 3.400 2.974 1.961 3.470 0.070 19 0 "[ . 1 . 2 .]" 1
466 1 44 ARG HA 1 44 ARG QG 3.400 . 3.400 2.458 1.933 3.310 . 0 0 "[ . 1 . 2 .]" 1
467 1 44 ARG HA 1 45 TYR H 3.500 . 3.500 3.509 3.371 3.587 0.087 14 0 "[ . 1 . 2 .]" 1
468 1 44 ARG QB 1 44 ARG QD 3.400 . 3.400 2.188 1.902 2.886 . 0 0 "[ . 1 . 2 .]" 1
469 1 44 ARG QB 1 45 TYR QD 5.000 . 5.000 3.165 1.980 4.094 . 0 0 "[ . 1 . 2 .]" 1
470 1 44 ARG QB 1 45 TYR H 3.500 . 3.500 2.737 2.051 3.421 . 0 0 "[ . 1 . 2 .]" 1
471 1 44 ARG QD 1 45 TYR QE 5.000 . 5.000 3.596 2.233 5.017 0.017 17 0 "[ . 1 . 2 .]" 1
472 1 44 ARG QG 1 45 TYR H 5.000 . 5.000 3.904 2.637 4.608 . 0 0 "[ . 1 . 2 .]" 1
473 1 44 ARG H 1 44 ARG HA 2.800 . 2.800 2.916 2.822 2.953 0.153 20 0 "[ . 1 . 2 .]" 1
474 1 44 ARG H 1 44 ARG QB 2.800 . 2.800 2.098 1.953 2.422 . 0 0 "[ . 1 . 2 .]" 1
475 1 44 ARG H 1 44 ARG QD 5.000 . 5.000 4.028 2.183 4.849 . 0 0 "[ . 1 . 2 .]" 1
476 1 44 ARG H 1 44 ARG QG 3.400 . 3.400 3.046 1.924 3.582 0.182 16 0 "[ . 1 . 2 .]" 1
477 1 44 ARG H 1 45 TYR QD 5.000 . 5.000 4.575 2.995 5.049 0.049 25 0 "[ . 1 . 2 .]" 1
478 1 44 ARG H 1 45 TYR H 2.800 . 2.800 2.483 2.225 2.832 0.032 8 0 "[ . 1 . 2 .]" 1
479 1 45 TYR HA 1 45 TYR QD 3.400 . 3.400 2.356 1.865 3.403 0.003 8 0 "[ . 1 . 2 .]" 1
480 1 45 TYR HA 1 46 PRO QD 3.400 . 3.400 2.083 1.863 2.317 . 0 0 "[ . 1 . 2 .]" 1
481 1 45 TYR HA 1 47 ARG H 5.000 . 5.000 3.482 3.000 5.200 0.200 3 0 "[ . 1 . 2 .]" 1
482 1 45 TYR HA 1 48 ASN H 5.000 . 5.000 4.540 3.240 5.096 0.096 24 0 "[ . 1 . 2 .]" 1
483 1 45 TYR QB 1 48 ASN H 5.000 . 5.000 3.415 2.607 3.833 . 0 0 "[ . 1 . 2 .]" 1
484 1 45 TYR QB 1 52 ARG HE 5.000 . 5.000 3.531 1.752 4.940 . 0 0 "[ . 1 . 2 .]" 1
485 1 45 TYR QB 1 52 ARG H 5.000 . 5.000 3.479 2.903 4.752 . 0 0 "[ . 1 . 2 .]" 1
486 1 45 TYR QD 1 52 ARG HA 5.000 . 5.000 2.650 1.880 3.690 . 0 0 "[ . 1 . 2 .]" 1
487 1 45 TYR QE 1 55 GLU QG 5.000 . 5.000 2.177 1.716 3.362 . 0 0 "[ . 1 . 2 .]" 1
488 1 45 TYR QE 1 55 GLU H 5.000 . 5.000 4.890 4.233 5.248 0.248 8 0 "[ . 1 . 2 .]" 1
489 1 45 TYR H 1 45 TYR QB 2.800 . 2.800 2.577 2.374 2.955 0.155 8 0 "[ . 1 . 2 .]" 1
490 1 45 TYR H 1 45 TYR QD 3.500 . 3.500 3.212 2.285 3.606 0.106 22 0 "[ . 1 . 2 .]" 1
491 1 45 TYR H 1 45 TYR QE 5.000 . 5.000 4.811 3.760 5.164 0.164 22 0 "[ . 1 . 2 .]" 1
492 1 45 TYR H 1 46 PRO QB 5.000 . 5.000 5.007 4.574 5.197 0.197 22 0 "[ . 1 . 2 .]" 1
493 1 45 TYR H 1 46 PRO QD 5.000 . 5.000 3.232 2.547 3.849 . 0 0 "[ . 1 . 2 .]" 1
494 1 46 PRO HA 1 47 ARG H 3.500 . 3.500 3.295 2.192 3.620 0.120 22 0 "[ . 1 . 2 .]" 1
495 1 46 PRO QB 1 46 PRO QD 3.400 . 3.400 2.871 2.789 3.001 . 0 0 "[ . 1 . 2 .]" 1
496 1 46 PRO QB 1 47 ARG H 3.500 . 3.500 3.524 2.987 3.758 0.258 9 0 "[ . 1 . 2 .]" 1
497 1 46 PRO QD 1 47 ARG H 5.000 . 5.000 2.749 1.880 4.649 . 0 0 "[ . 1 . 2 .]" 1
498 1 47 ARG HA 1 47 ARG QG 3.400 . 3.400 2.701 2.077 3.342 . 0 0 "[ . 1 . 2 .]" 1
499 1 47 ARG HA 1 48 ASN H 3.500 . 3.500 2.979 2.631 3.581 0.081 15 0 "[ . 1 . 2 .]" 1
500 1 47 ARG QB 1 47 ARG QD 3.400 . 3.400 2.117 1.917 2.556 . 0 0 "[ . 1 . 2 .]" 1
501 1 47 ARG QB 1 48 ASN H 5.000 . 5.000 3.747 2.063 4.089 . 0 0 "[ . 1 . 2 .]" 1
502 1 47 ARG QG 1 48 ASN H 5.000 . 5.000 4.076 1.918 4.718 . 0 0 "[ . 1 . 2 .]" 1
503 1 47 ARG H 1 47 ARG QB 3.500 . 3.500 2.703 2.107 3.456 . 0 0 "[ . 1 . 2 .]" 1
504 1 47 ARG H 1 47 ARG QG 3.400 . 3.400 2.665 1.877 3.409 0.009 17 0 "[ . 1 . 2 .]" 1
505 1 47 ARG H 1 48 ASN H 2.800 . 2.800 2.676 1.927 2.895 0.095 17 0 "[ . 1 . 2 .]" 1
506 1 48 ASN HA 1 49 LEU H 2.800 . 2.800 2.413 2.213 2.848 0.048 24 0 "[ . 1 . 2 .]" 1
507 1 48 ASN HA 1 50 THR H 3.500 . 3.500 3.521 3.305 3.723 0.223 9 0 "[ . 1 . 2 .]" 1
508 1 48 ASN QB 1 49 LEU H 5.000 . 5.000 3.885 2.919 4.016 . 0 0 "[ . 1 . 2 .]" 1
509 1 48 ASN QB 1 50 THR H 5.000 . 5.000 4.176 2.522 4.632 . 0 0 "[ . 1 . 2 .]" 1
510 1 48 ASN QB 1 51 GLU H 5.000 . 5.000 2.979 2.509 3.860 . 0 0 "[ . 1 . 2 .]" 1
511 1 48 ASN H 1 48 ASN HA 2.800 . 2.800 2.915 2.854 2.984 0.184 22 0 "[ . 1 . 2 .]" 1
512 1 48 ASN H 1 48 ASN QB 3.500 . 3.500 2.688 2.005 2.919 . 0 0 "[ . 1 . 2 .]" 1
513 1 48 ASN H 1 49 LEU H 5.000 . 5.000 3.388 2.343 4.489 . 0 0 "[ . 1 . 2 .]" 1
514 1 49 LEU HA 1 49 LEU MD1 3.700 . 3.700 3.699 3.435 3.832 0.132 3 0 "[ . 1 . 2 .]" 1
515 1 49 LEU HA 1 49 LEU MD2 3.700 . 3.700 2.972 1.791 4.003 0.303 20 0 "[ . 1 . 2 .]" 1
516 1 49 LEU HA 1 49 LEU HG 3.400 . 3.400 3.409 3.209 3.563 0.163 13 0 "[ . 1 . 2 .]" 1
517 1 49 LEU HA 1 50 THR H 3.500 . 3.500 3.519 3.458 3.552 0.052 22 0 "[ . 1 . 2 .]" 1
518 1 49 LEU QB 1 50 THR H 3.400 . 3.400 2.908 2.287 3.532 0.132 2 0 "[ . 1 . 2 .]" 1
519 1 49 LEU MD1 1 50 THR H 5.300 . 5.300 3.350 1.781 4.490 . 0 0 "[ . 1 . 2 .]" 1
520 1 49 LEU MD2 1 50 THR H 5.300 . 5.300 4.037 3.131 4.335 . 0 0 "[ . 1 . 2 .]" 1
521 1 49 LEU HG 1 50 THR H 3.500 . 3.500 3.094 1.758 3.733 0.233 7 0 "[ . 1 . 2 .]" 1
522 1 49 LEU H 1 49 LEU QB 2.800 . 2.800 2.598 2.314 2.936 0.136 15 0 "[ . 1 . 2 .]" 1
523 1 49 LEU H 1 49 LEU MD1 5.300 . 5.300 3.275 1.913 3.917 . 0 0 "[ . 1 . 2 .]" 1
524 1 49 LEU H 1 49 LEU MD2 5.300 . 5.300 2.717 1.884 3.334 . 0 0 "[ . 1 . 2 .]" 1
525 1 49 LEU H 1 49 LEU HG 2.800 . 2.800 1.821 1.444 2.677 . 0 0 "[ . 1 . 2 .]" 1
526 1 49 LEU H 1 50 THR H 2.800 . 2.800 2.625 2.307 2.860 0.060 12 0 "[ . 1 . 2 .]" 1
527 1 49 LEU H 1 51 GLU H 5.000 . 5.000 4.266 4.010 4.883 . 0 0 "[ . 1 . 2 .]" 1
528 1 50 THR HA 1 50 THR MG 3.400 . 3.400 2.105 1.965 2.202 . 0 0 "[ . 1 . 2 .]" 1
529 1 50 THR HA 1 51 GLU H 3.500 . 3.500 3.536 3.501 3.573 0.073 21 0 "[ . 1 . 2 .]" 1
530 1 50 THR HA 1 52 ARG H 5.000 . 5.000 4.690 4.380 5.060 0.060 6 0 "[ . 1 . 2 .]" 1
531 1 50 THR HA 1 53 VAL H 5.000 . 5.000 4.107 3.616 4.929 . 0 0 "[ . 1 . 2 .]" 1
532 1 50 THR HB 1 51 GLU H 2.800 . 2.800 2.687 2.150 2.878 0.078 20 0 "[ . 1 . 2 .]" 1
533 1 50 THR MG 1 51 GLU H 5.000 . 5.000 3.995 3.671 4.129 . 0 0 "[ . 1 . 2 .]" 1
534 1 50 THR H 1 50 THR HA 2.800 . 2.800 2.810 2.775 2.849 0.049 17 0 "[ . 1 . 2 .]" 1
535 1 50 THR H 1 50 THR HB 2.800 . 2.800 2.894 2.834 2.970 0.170 4 0 "[ . 1 . 2 .]" 1
536 1 50 THR H 1 50 THR MG 3.400 . 3.400 3.503 3.446 3.541 0.141 18 0 "[ . 1 . 2 .]" 1
537 1 50 THR H 1 51 GLU H 2.800 . 2.800 2.782 2.677 2.926 0.126 24 0 "[ . 1 . 2 .]" 1
538 1 50 THR H 1 52 ARG H 5.000 . 5.000 4.209 3.964 4.638 . 0 0 "[ . 1 . 2 .]" 1
539 1 51 GLU HA 1 51 GLU QG 3.400 . 3.400 2.499 2.053 3.146 . 0 0 "[ . 1 . 2 .]" 1
540 1 51 GLU HA 1 52 ARG H 5.000 . 5.000 3.560 3.516 3.590 . 0 0 "[ . 1 . 2 .]" 1
541 1 51 GLU QB 1 52 ARG H 2.800 . 2.800 2.619 2.234 3.042 0.242 5 0 "[ . 1 . 2 .]" 1
542 1 51 GLU H 1 51 GLU QB 2.800 . 2.800 2.211 1.975 2.508 . 0 0 "[ . 1 . 2 .]" 1
543 1 51 GLU H 1 51 GLU QG 2.800 . 2.800 2.551 1.952 3.062 0.262 6 0 "[ . 1 . 2 .]" 1
544 1 51 GLU H 1 52 ARG H 2.800 . 2.800 2.443 2.180 2.724 . 0 0 "[ . 1 . 2 .]" 1
545 1 52 ARG HA 1 55 GLU H 5.000 . 5.000 3.550 3.037 3.909 . 0 0 "[ . 1 . 2 .]" 1
546 1 52 ARG QB 1 53 VAL H 5.000 . 5.000 2.638 1.894 3.628 . 0 0 "[ . 1 . 2 .]" 1
547 1 49 LEU HA 1 52 ARG QD 5.000 . 5.000 2.682 1.553 4.056 . 0 0 "[ . 1 . 2 .]" 1
548 1 52 ARG QB 1 52 ARG HE 3.500 . 3.500 2.792 1.830 3.623 0.123 22 0 "[ . 1 . 2 .]" 1
549 1 52 ARG QG 1 53 VAL H 5.000 . 5.000 3.590 1.816 4.535 . 0 0 "[ . 1 . 2 .]" 1
550 1 52 ARG H 1 52 ARG HA 2.800 . 2.800 2.833 2.769 2.888 0.088 9 0 "[ . 1 . 2 .]" 1
551 1 52 ARG H 1 52 ARG QB 2.800 . 2.800 2.275 2.016 2.616 . 0 0 "[ . 1 . 2 .]" 1
552 1 52 ARG H 1 52 ARG HE 5.000 . 5.000 4.113 1.956 5.074 0.074 23 0 "[ . 1 . 2 .]" 1
553 1 52 ARG H 1 52 ARG QG 2.800 . 2.800 2.377 1.740 3.143 0.343 17 0 "[ . 1 . 2 .]" 1
554 1 52 ARG H 1 53 VAL H 2.800 . 2.800 2.785 2.595 2.886 0.086 15 0 "[ . 1 . 2 .]" 1
555 1 52 ARG H 1 54 ARG H 5.000 . 5.000 4.603 4.011 5.011 0.011 11 0 "[ . 1 . 2 .]" 1
556 1 53 VAL HA 1 53 VAL MG1 3.700 . 3.700 2.469 2.162 3.218 . 0 0 "[ . 1 . 2 .]" 1
557 1 53 VAL HA 1 53 VAL MG2 3.700 . 3.700 2.410 2.221 2.547 . 0 0 "[ . 1 . 2 .]" 1
558 1 53 VAL HA 1 54 ARG H 5.000 . 5.000 3.571 3.540 3.594 . 0 0 "[ . 1 . 2 .]" 1
559 1 53 VAL HA 1 56 SER H 3.400 . 3.400 3.429 3.213 3.558 0.158 22 0 "[ . 1 . 2 .]" 1
560 1 53 VAL HB 1 54 ARG H 3.400 . 3.400 2.314 1.893 3.652 0.252 15 0 "[ . 1 . 2 .]" 1
561 1 53 VAL MG1 1 54 ARG H 3.100 . 3.100 2.840 1.601 3.259 0.159 19 0 "[ . 1 . 2 .]" 1
562 1 53 VAL H 1 53 VAL HB 2.800 . 2.800 2.500 1.996 2.712 . 0 0 "[ . 1 . 2 .]" 1
563 1 53 VAL H 1 53 VAL MG2 3.700 . 3.700 2.287 1.795 3.716 0.016 15 0 "[ . 1 . 2 .]" 1
564 1 53 VAL H 1 54 ARG H 3.500 . 3.500 2.899 2.660 3.028 . 0 0 "[ . 1 . 2 .]" 1
565 1 54 ARG HA 1 54 ARG QG 3.400 . 3.400 2.269 1.918 2.945 . 0 0 "[ . 1 . 2 .]" 1
566 1 54 ARG HA 1 57 LEU MD2 3.700 . 3.700 3.604 2.517 3.994 0.294 16 0 "[ . 1 . 2 .]" 1
567 1 54 ARG H 1 54 ARG HA 2.800 . 2.800 2.779 2.737 2.843 0.043 17 0 "[ . 1 . 2 .]" 1
568 1 54 ARG H 1 54 ARG QB 2.800 . 2.800 2.120 1.952 2.386 . 0 0 "[ . 1 . 2 .]" 1
569 1 55 GLU HA 1 56 SER H 5.000 . 5.000 3.643 3.598 3.680 . 0 0 "[ . 1 . 2 .]" 1
570 1 55 GLU HA 1 58 ARG QB 3.400 . 3.400 3.312 3.014 3.477 0.077 23 0 "[ . 1 . 2 .]" 1
571 1 55 GLU HA 1 58 ARG H 3.500 . 3.500 3.669 3.565 3.772 0.272 21 0 "[ . 1 . 2 .]" 1
572 1 55 GLU QB 1 56 SER H 3.500 . 3.500 2.526 2.225 2.956 . 0 0 "[ . 1 . 2 .]" 1
573 1 55 GLU H 1 55 GLU QB 2.800 . 2.800 2.034 1.904 2.745 . 0 0 "[ . 1 . 2 .]" 1
574 1 55 GLU H 1 55 GLU QG 3.500 . 3.500 3.254 1.769 3.700 0.200 20 0 "[ . 1 . 2 .]" 1
575 1 55 GLU H 1 56 SER H 3.500 . 3.500 2.863 2.553 3.089 . 0 0 "[ . 1 . 2 .]" 1
576 1 56 SER HA 1 57 LEU H 5.000 . 5.000 3.596 3.536 3.621 . 0 0 "[ . 1 . 2 .]" 1
577 1 56 SER HA 1 59 ILE HB 3.400 . 3.400 2.844 2.265 3.400 0.000 14 0 "[ . 1 . 2 .]" 1
578 1 56 SER HA 1 60 TRP H 5.000 . 5.000 3.117 2.942 3.579 . 0 0 "[ . 1 . 2 .]" 1
579 1 56 SER QB 1 57 LEU H 3.500 . 3.500 2.636 1.951 3.443 . 0 0 "[ . 1 . 2 .]" 1
580 1 56 SER QB 1 60 TRP HA 3.400 . 3.400 3.858 3.740 4.126 0.726 18 4 "[ . 1 *. +-* .]" 1
581 1 56 SER H 1 56 SER QB 3.500 . 3.500 2.561 2.380 2.773 . 0 0 "[ . 1 . 2 .]" 1
582 1 56 SER H 1 57 LEU H 3.500 . 3.500 2.952 2.709 3.091 . 0 0 "[ . 1 . 2 .]" 1
583 1 57 LEU HA 1 57 LEU MD1 3.700 . 3.700 3.479 2.950 3.855 0.155 16 0 "[ . 1 . 2 .]" 1
584 1 57 LEU HA 1 57 LEU MD2 3.700 . 3.700 3.064 1.985 3.916 0.216 18 0 "[ . 1 . 2 .]" 1
585 1 57 LEU HA 1 60 TRP QB 5.000 . 5.000 1.677 1.289 2.437 . 0 0 "[ . 1 . 2 .]" 1
586 1 57 LEU HA 1 60 TRP H 3.500 . 3.500 3.554 3.060 3.701 0.201 19 0 "[ . 1 . 2 .]" 1
587 1 57 LEU QB 1 58 ARG H 3.500 . 3.500 2.631 2.400 3.519 0.019 14 0 "[ . 1 . 2 .]" 1
588 1 57 LEU QB 1 60 TRP HH2 5.000 . 5.000 5.069 4.452 5.177 0.177 25 0 "[ . 1 . 2 .]" 1
589 1 57 LEU MD2 1 58 ARG H 5.300 . 5.300 4.794 4.332 4.951 . 0 0 "[ . 1 . 2 .]" 1
590 1 57 LEU MD2 1 60 TRP HH2 3.700 . 3.700 3.769 3.598 3.959 0.259 14 0 "[ . 1 . 2 .]" 1
591 1 57 LEU H 1 57 LEU QB 3.400 . 3.400 2.480 2.025 2.689 . 0 0 "[ . 1 . 2 .]" 1
592 1 57 LEU H 1 57 LEU MD1 3.800 . 3.800 2.452 1.916 3.826 0.026 18 0 "[ . 1 . 2 .]" 1
593 1 57 LEU H 1 57 LEU MD2 3.800 . 3.800 3.799 2.976 3.996 0.196 6 0 "[ . 1 . 2 .]" 1
594 1 57 LEU H 1 57 LEU HG 2.800 . 2.800 2.467 1.818 3.044 0.244 18 0 "[ . 1 . 2 .]" 1
595 1 57 LEU H 1 58 ARG H 3.500 . 3.500 3.197 2.573 3.345 . 0 0 "[ . 1 . 2 .]" 1
596 1 58 ARG HA 1 58 ARG QG 3.400 . 3.400 2.622 2.141 3.290 . 0 0 "[ . 1 . 2 .]" 1
597 1 58 ARG HA 1 61 LYS H 5.000 . 5.000 4.889 4.554 5.057 0.057 25 0 "[ . 1 . 2 .]" 1
598 1 58 ARG QB 1 59 ILE H 3.400 . 3.400 2.660 2.205 3.415 0.015 7 0 "[ . 1 . 2 .]" 1
599 1 58 ARG H 1 58 ARG HA 2.800 . 2.800 2.839 2.823 2.870 0.070 19 0 "[ . 1 . 2 .]" 1
600 1 58 ARG H 1 58 ARG QB 2.800 . 2.800 2.168 2.019 2.444 . 0 0 "[ . 1 . 2 .]" 1
601 1 58 ARG H 1 58 ARG QG 2.800 . 2.800 2.542 1.853 2.904 0.104 6 0 "[ . 1 . 2 .]" 1
602 1 58 ARG H 1 59 ILE H 2.800 . 2.800 2.799 2.661 2.899 0.099 4 0 "[ . 1 . 2 .]" 1
603 1 59 ILE HA 1 59 ILE MD 3.400 . 3.400 2.813 1.727 3.589 0.189 9 0 "[ . 1 . 2 .]" 1
604 1 59 ILE HA 1 59 ILE QG 3.400 . 3.400 2.621 2.114 3.238 . 0 0 "[ . 1 . 2 .]" 1
605 1 59 ILE HA 1 59 ILE MG 3.400 . 3.400 2.351 2.041 2.550 . 0 0 "[ . 1 . 2 .]" 1
606 1 59 ILE HA 1 60 TRP H 5.000 . 5.000 3.577 3.496 3.620 . 0 0 "[ . 1 . 2 .]" 1
607 1 59 ILE HA 1 62 ASN QB 3.400 . 3.400 2.107 1.826 2.535 . 0 0 "[ . 1 . 2 .]" 1
608 1 59 ILE HA 1 62 ASN H 3.500 . 3.500 3.302 3.090 3.544 0.044 25 0 "[ . 1 . 2 .]" 1
609 1 59 ILE HB 1 59 ILE MD 3.400 . 3.400 2.509 1.877 3.198 . 0 0 "[ . 1 . 2 .]" 1
610 1 59 ILE HB 1 60 TRP H 2.800 . 2.800 2.304 2.082 2.539 . 0 0 "[ . 1 . 2 .]" 1
611 1 59 ILE MD 1 60 TRP H 5.000 . 5.000 3.879 3.184 4.345 . 0 0 "[ . 1 . 2 .]" 1
612 1 59 ILE MG 1 60 TRP HA 5.000 . 5.000 3.746 3.210 4.398 . 0 0 "[ . 1 . 2 .]" 1
613 1 59 ILE H 1 59 ILE HB 2.800 . 2.800 2.359 2.125 2.695 . 0 0 "[ . 1 . 2 .]" 1
614 1 59 ILE H 1 59 ILE MD 2.800 . 2.800 2.427 1.789 2.928 0.128 7 0 "[ . 1 . 2 .]" 1
615 1 59 ILE H 1 59 ILE QG 2.800 . 2.800 2.510 1.718 2.934 0.134 25 0 "[ . 1 . 2 .]" 1
616 1 59 ILE H 1 59 ILE MG 3.500 . 3.500 3.674 3.607 3.719 0.219 1 0 "[ . 1 . 2 .]" 1
617 1 59 ILE H 1 60 TRP H 2.800 . 2.800 2.425 2.171 2.559 . 0 0 "[ . 1 . 2 .]" 1
618 1 60 TRP HA 1 61 LYS H 5.000 . 5.000 3.578 3.561 3.614 . 0 0 "[ . 1 . 2 .]" 1
619 1 60 TRP HA 1 63 THR H 5.000 . 5.000 4.342 3.934 4.814 . 0 0 "[ . 1 . 2 .]" 1
620 1 60 TRP HA 1 64 GLU H 5.000 . 5.000 4.900 4.335 5.198 0.198 20 0 "[ . 1 . 2 .]" 1
621 1 60 TRP QB 1 61 LYS H 3.400 . 3.400 2.393 2.266 2.657 . 0 0 "[ . 1 . 2 .]" 1
622 1 60 TRP QB 1 60 TRP HE3 3.400 . 3.400 2.480 2.408 2.513 . 0 0 "[ . 1 . 2 .]" 1
623 1 60 TRP HE3 1 61 LYS H 3.500 . 3.500 2.494 2.152 2.857 . 0 0 "[ . 1 . 2 .]" 1
624 1 60 TRP HH2 1 61 LYS QB 3.400 . 3.400 3.443 3.315 3.624 0.224 6 0 "[ . 1 . 2 .]" 1
625 1 60 TRP H 1 60 TRP QB 2.800 . 2.800 2.145 2.023 2.239 . 0 0 "[ . 1 . 2 .]" 1
626 1 60 TRP H 1 61 LYS H 3.500 . 3.500 3.359 2.942 3.517 0.017 10 0 "[ . 1 . 2 .]" 1
627 1 60 TRP HZ3 1 61 LYS H 5.000 . 5.000 4.306 4.050 4.586 . 0 0 "[ . 1 . 2 .]" 1
628 1 61 LYS HA 1 61 LYS QG 3.400 . 3.400 2.578 2.232 3.307 . 0 0 "[ . 1 . 2 .]" 1
629 1 61 LYS HA 1 62 ASN H 3.500 . 3.500 3.534 3.469 3.569 0.069 5 0 "[ . 1 . 2 .]" 1
630 1 61 LYS HA 1 65 LYS H 5.000 . 5.000 3.889 3.411 4.424 . 0 0 "[ . 1 . 2 .]" 1
631 1 61 LYS HA 1 68 ALA MB 3.400 . 3.400 2.583 2.051 3.199 . 0 0 "[ . 1 . 2 .]" 1
632 1 61 LYS QB 1 62 ASN H 2.800 . 2.800 2.763 2.527 2.959 0.159 25 0 "[ . 1 . 2 .]" 1
633 1 61 LYS QE 1 61 LYS QG 3.400 . 3.400 2.168 1.946 2.625 . 0 0 "[ . 1 . 2 .]" 1
634 1 61 LYS QG 1 62 ASN H 5.000 . 5.000 3.480 1.704 4.087 . 0 0 "[ . 1 . 2 .]" 1
635 1 61 LYS H 1 61 LYS HA 2.800 . 2.800 2.859 2.780 2.900 0.100 13 0 "[ . 1 . 2 .]" 1
636 1 61 LYS H 1 61 LYS QB 2.800 . 2.800 2.159 2.008 2.691 . 0 0 "[ . 1 . 2 .]" 1
637 1 61 LYS H 1 61 LYS QD 5.000 . 5.000 4.159 3.645 4.748 . 0 0 "[ . 1 . 2 .]" 1
638 1 61 LYS H 1 61 LYS QG 5.000 . 5.000 3.737 1.774 3.974 . 0 0 "[ . 1 . 2 .]" 1
639 1 61 LYS H 1 62 ASN H 3.500 . 3.500 2.679 2.494 2.923 . 0 0 "[ . 1 . 2 .]" 1
640 1 62 ASN HA 1 63 THR H 3.500 . 3.500 3.510 3.481 3.554 0.054 17 0 "[ . 1 . 2 .]" 1
641 1 62 ASN HA 1 65 LYS H 5.000 . 5.000 4.254 3.874 4.750 . 0 0 "[ . 1 . 2 .]" 1
642 1 62 ASN QB 1 63 THR H 3.500 . 3.500 2.792 2.343 3.002 . 0 0 "[ . 1 . 2 .]" 1
643 1 62 ASN H 1 62 ASN HA 2.800 . 2.800 2.796 2.743 2.850 0.050 19 0 "[ . 1 . 2 .]" 1
644 1 62 ASN H 1 62 ASN QB 2.800 . 2.800 2.069 1.918 2.186 . 0 0 "[ . 1 . 2 .]" 1
645 1 62 ASN H 1 63 THR H 2.800 . 2.800 2.822 2.690 2.898 0.098 18 0 "[ . 1 . 2 .]" 1
646 1 63 THR HA 1 63 THR MG 3.400 . 3.400 2.506 1.954 2.737 . 0 0 "[ . 1 . 2 .]" 1
647 1 63 THR HA 1 64 GLU H 5.000 . 5.000 3.586 3.564 3.606 . 0 0 "[ . 1 . 2 .]" 1
648 1 63 THR HB 1 64 GLU H 2.800 . 2.800 2.379 1.844 2.737 . 0 0 "[ . 1 . 2 .]" 1
649 1 63 THR MG 1 64 GLU H 3.400 . 3.400 2.726 2.106 3.501 0.101 24 0 "[ . 1 . 2 .]" 1
650 1 63 THR H 1 63 THR HA 2.800 . 2.800 2.929 2.863 2.968 0.168 23 0 "[ . 1 . 2 .]" 1
651 1 63 THR H 1 63 THR HB 2.800 . 2.800 2.237 2.027 2.871 0.071 25 0 "[ . 1 . 2 .]" 1
652 1 63 THR H 1 63 THR MG 3.400 . 3.400 3.534 3.416 3.631 0.231 18 0 "[ . 1 . 2 .]" 1
653 1 64 GLU HA 1 64 GLU QG 3.400 . 3.400 2.313 1.970 2.936 . 0 0 "[ . 1 . 2 .]" 1
654 1 64 GLU HA 1 65 LYS H 3.400 . 3.400 3.143 3.006 3.305 . 0 0 "[ . 1 . 2 .]" 1
655 1 64 GLU QB 1 65 LYS H 3.500 . 3.500 3.560 3.397 3.674 0.174 7 0 "[ . 1 . 2 .]" 1
656 1 64 GLU QB 1 67 ASN H 3.500 . 3.500 3.502 3.267 3.637 0.137 23 0 "[ . 1 . 2 .]" 1
657 1 64 GLU QB 1 68 ALA MB 3.400 . 3.400 2.445 1.788 3.018 . 0 0 "[ . 1 . 2 .]" 1
658 1 64 GLU QB 1 68 ALA H 3.500 . 3.500 3.524 3.341 3.633 0.133 7 0 "[ . 1 . 2 .]" 1
659 1 64 GLU H 1 64 GLU HA 2.800 . 2.800 2.922 2.884 2.948 0.148 5 0 "[ . 1 . 2 .]" 1
660 1 64 GLU H 1 64 GLU QB 2.800 . 2.800 2.164 1.998 2.412 . 0 0 "[ . 1 . 2 .]" 1
661 1 64 GLU H 1 64 GLU QG 3.400 . 3.400 2.704 1.952 3.458 0.058 23 0 "[ . 1 . 2 .]" 1
662 1 64 GLU H 1 65 LYS H 2.800 . 2.800 2.803 2.644 2.924 0.124 7 0 "[ . 1 . 2 .]" 1
663 1 64 GLU H 1 68 ALA MB 5.000 . 5.000 3.869 3.488 4.412 . 0 0 "[ . 1 . 2 .]" 1
664 1 65 LYS HA 1 65 LYS QG 3.400 . 3.400 3.049 1.977 3.307 . 0 0 "[ . 1 . 2 .]" 1
665 1 65 LYS HA 1 66 GLU H 3.500 . 3.500 3.569 3.508 3.593 0.093 10 0 "[ . 1 . 2 .]" 1
666 1 65 LYS HA 1 68 ALA H 5.000 . 5.000 3.902 3.565 4.318 . 0 0 "[ . 1 . 2 .]" 1
667 1 65 LYS QB 1 66 GLU H 2.800 . 2.800 2.634 1.798 2.981 0.181 23 0 "[ . 1 . 2 .]" 1
668 1 65 LYS QE 1 65 LYS QG 3.400 . 3.400 2.137 1.913 2.431 . 0 0 "[ . 1 . 2 .]" 1
669 1 65 LYS QG 1 66 GLU H 3.500 . 3.500 2.307 1.670 3.746 0.246 16 0 "[ . 1 . 2 .]" 1
670 1 65 LYS H 1 65 LYS HA 2.800 . 2.800 2.669 2.643 2.682 . 0 0 "[ . 1 . 2 .]" 1
671 1 65 LYS H 1 65 LYS QB 3.500 . 3.500 2.703 2.192 2.962 . 0 0 "[ . 1 . 2 .]" 1
672 1 65 LYS H 1 65 LYS QE 5.000 . 5.000 4.083 3.325 4.620 . 0 0 "[ . 1 . 2 .]" 1
673 1 65 LYS H 1 65 LYS QG 2.800 . 2.800 1.931 1.586 2.886 0.086 16 0 "[ . 1 . 2 .]" 1
674 1 65 LYS H 1 66 GLU H 5.000 . 5.000 3.330 3.161 3.791 . 0 0 "[ . 1 . 2 .]" 1
675 1 65 LYS H 1 68 ALA MB 3.400 . 3.400 3.434 3.106 3.550 0.150 20 0 "[ . 1 . 2 .]" 1
676 1 66 GLU HA 1 66 GLU QG 3.400 . 3.400 2.668 1.924 3.365 . 0 0 "[ . 1 . 2 .]" 1
677 1 66 GLU HA 1 67 ASN H 3.500 . 3.500 3.551 3.504 3.578 0.078 24 0 "[ . 1 . 2 .]" 1
678 1 66 GLU HA 1 68 ALA H 3.500 . 3.500 3.659 3.588 3.811 0.311 8 0 "[ . 1 . 2 .]" 1
679 1 66 GLU QB 1 67 ASN H 3.500 . 3.500 2.791 1.937 3.516 0.016 9 0 "[ . 1 . 2 .]" 1
680 1 66 GLU QG 1 67 ASN H 5.000 . 5.000 3.183 1.662 4.450 . 0 0 "[ . 1 . 2 .]" 1
681 1 66 GLU H 1 66 GLU QB 2.800 . 2.800 2.235 1.932 2.595 . 0 0 "[ . 1 . 2 .]" 1
682 1 66 GLU H 1 66 GLU QG 3.500 . 3.500 2.602 1.741 3.591 0.091 23 0 "[ . 1 . 2 .]" 1
683 1 66 GLU H 1 67 ASN H 3.500 . 3.500 2.719 2.417 3.276 . 0 0 "[ . 1 . 2 .]" 1
684 1 66 GLU H 1 68 ALA H 5.000 . 5.000 3.884 3.539 4.215 . 0 0 "[ . 1 . 2 .]" 1
685 1 67 ASN HA 1 68 ALA H 3.500 . 3.500 3.111 2.979 3.243 . 0 0 "[ . 1 . 2 .]" 1
686 1 67 ASN QB 1 68 ALA H 5.000 . 5.000 3.646 3.429 3.999 . 0 0 "[ . 1 . 2 .]" 1
687 1 67 ASN QB 1 67 ASN HD22 3.500 . 3.500 3.334 3.267 3.474 . 0 0 "[ . 1 . 2 .]" 1
688 1 67 ASN H 1 67 ASN HA 2.800 . 2.800 2.938 2.904 2.964 0.164 9 0 "[ . 1 . 2 .]" 1
689 1 67 ASN H 1 67 ASN QB 2.800 . 2.800 2.154 1.962 2.610 . 0 0 "[ . 1 . 2 .]" 1
690 1 67 ASN H 1 67 ASN QD 5.000 . 5.000 4.236 2.484 4.834 . 0 0 "[ . 1 . 2 .]" 1
691 1 67 ASN H 1 68 ALA MB 5.000 . 5.000 3.825 3.578 4.127 . 0 0 "[ . 1 . 2 .]" 1
692 1 67 ASN H 1 68 ALA H 2.800 . 2.800 2.705 2.461 2.869 0.069 11 0 "[ . 1 . 2 .]" 1
693 1 68 ALA HA 1 69 THR H 2.800 . 2.800 2.608 2.165 2.864 0.064 18 0 "[ . 1 . 2 .]" 1
694 1 68 ALA HA 1 72 HIS HD2 3.400 . 3.400 3.362 2.825 3.697 0.297 21 0 "[ . 1 . 2 .]" 1
695 1 60 TRP HZ2 1 68 ALA MB 5.000 . 5.000 3.149 2.367 4.486 . 0 0 "[ . 1 . 2 .]" 1
696 1 68 ALA MB 1 69 THR H 3.400 . 3.400 3.571 2.230 3.674 0.274 22 0 "[ . 1 . 2 .]" 1
697 1 68 ALA H 1 68 ALA MB 2.800 . 2.800 2.165 1.995 2.363 . 0 0 "[ . 1 . 2 .]" 1
698 1 68 ALA H 1 69 THR MG 5.000 . 5.000 3.633 3.295 3.974 . 0 0 "[ . 1 . 2 .]" 1
699 1 68 ALA H 1 69 THR H 5.000 . 5.000 3.469 2.745 4.507 . 0 0 "[ . 1 . 2 .]" 1
700 1 69 THR HA 1 69 THR MG 3.400 . 3.400 2.177 2.023 2.460 . 0 0 "[ . 1 . 2 .]" 1
701 1 69 THR HA 1 70 VAL H 2.800 . 2.800 2.454 2.264 2.589 . 0 0 "[ . 1 . 2 .]" 1
702 1 69 THR HA 1 71 ALA H 5.000 . 5.000 4.483 4.182 4.752 . 0 0 "[ . 1 . 2 .]" 1
703 1 69 THR HA 1 72 HIS H 5.000 . 5.000 4.487 4.174 5.093 0.093 25 0 "[ . 1 . 2 .]" 1
704 1 69 THR HB 1 70 VAL H 2.800 . 2.800 2.568 2.164 2.890 0.090 17 0 "[ . 1 . 2 .]" 1
705 1 69 THR HB 1 71 ALA H 2.800 . 2.800 2.857 2.763 3.001 0.201 25 0 "[ . 1 . 2 .]" 1
706 1 69 THR MG 1 70 VAL H 3.500 . 3.500 3.507 3.261 3.726 0.226 25 0 "[ . 1 . 2 .]" 1
707 1 69 THR MG 1 71 ALA H 5.000 . 5.000 4.440 4.068 4.568 . 0 0 "[ . 1 . 2 .]" 1
708 1 69 THR MG 1 72 HIS H 5.000 . 5.000 4.415 4.088 4.689 . 0 0 "[ . 1 . 2 .]" 1
709 1 69 THR H 1 69 THR MG 2.800 . 2.800 2.880 2.796 3.125 0.325 23 0 "[ . 1 . 2 .]" 1
710 1 69 THR H 1 70 VAL H 5.000 . 5.000 4.549 4.165 4.679 . 0 0 "[ . 1 . 2 .]" 1
711 1 69 THR H 1 72 HIS QB 2.800 . 2.800 1.963 1.657 2.926 0.126 25 0 "[ . 1 . 2 .]" 1
712 1 69 THR H 1 72 HIS H 3.500 . 3.500 3.398 3.093 3.734 0.234 23 0 "[ . 1 . 2 .]" 1
713 1 69 THR H 1 73 LEU H 5.000 . 5.000 4.460 3.667 4.972 . 0 0 "[ . 1 . 2 .]" 1
714 1 70 VAL HA 1 70 VAL MG1 3.700 . 3.700 2.407 2.279 2.540 . 0 0 "[ . 1 . 2 .]" 1
715 1 70 VAL HA 1 70 VAL MG2 3.700 . 3.700 2.283 2.151 2.380 . 0 0 "[ . 1 . 2 .]" 1
716 1 70 VAL HA 1 71 ALA H 3.500 . 3.500 3.557 3.499 3.575 0.075 16 0 "[ . 1 . 2 .]" 1
717 1 70 VAL HA 1 73 LEU QB 3.400 . 3.400 2.628 2.113 3.113 . 0 0 "[ . 1 . 2 .]" 1
718 1 70 VAL HA 1 73 LEU MD1 5.300 . 5.300 4.093 2.423 5.213 . 0 0 "[ . 1 . 2 .]" 1
719 1 70 VAL HA 1 73 LEU MD2 5.300 . 5.300 3.906 2.019 5.356 0.056 15 0 "[ . 1 . 2 .]" 1
720 1 70 VAL HA 1 73 LEU H 3.400 . 3.400 3.418 3.199 3.518 0.118 25 0 "[ . 1 . 2 .]" 1
721 1 70 VAL HA 1 74 VAL H 5.000 . 5.000 4.363 3.668 4.576 . 0 0 "[ . 1 . 2 .]" 1
722 1 70 VAL HB 1 71 ALA H 2.800 . 2.800 2.445 2.304 2.835 0.035 25 0 "[ . 1 . 2 .]" 1
723 1 70 VAL MG1 1 71 ALA H 3.800 . 3.800 3.253 2.865 3.756 . 0 0 "[ . 1 . 2 .]" 1
724 1 70 VAL MG1 1 73 LEU QB 3.700 . 3.700 3.470 2.983 3.792 0.092 2 0 "[ . 1 . 2 .]" 1
725 1 70 VAL MG1 1 73 LEU H 5.300 . 5.300 4.441 4.192 4.650 . 0 0 "[ . 1 . 2 .]" 1
726 1 70 VAL MG1 1 74 VAL H 3.800 . 3.800 3.786 3.479 3.859 0.059 10 0 "[ . 1 . 2 .]" 1
727 1 70 VAL MG1 1 93 GLN H 3.800 . 3.800 3.750 3.383 3.918 0.118 9 0 "[ . 1 . 2 .]" 1
728 1 70 VAL MG2 1 71 ALA H 3.800 . 3.800 3.815 3.644 3.884 0.084 13 0 "[ . 1 . 2 .]" 1
729 1 70 VAL H 1 70 VAL HB 2.800 . 2.800 2.430 2.275 2.633 . 0 0 "[ . 1 . 2 .]" 1
730 1 70 VAL H 1 70 VAL MG1 3.800 . 3.800 3.711 3.673 3.754 . 0 0 "[ . 1 . 2 .]" 1
731 1 70 VAL H 1 70 VAL MG2 3.100 . 3.100 2.061 1.804 2.392 . 0 0 "[ . 1 . 2 .]" 1
732 1 70 VAL H 1 71 ALA MB 5.000 . 5.000 4.372 4.190 4.541 . 0 0 "[ . 1 . 2 .]" 1
733 1 70 VAL H 1 71 ALA H 3.500 . 3.500 2.874 2.596 3.035 . 0 0 "[ . 1 . 2 .]" 1
734 1 71 ALA HA 1 72 HIS H 3.500 . 3.500 3.538 3.491 3.582 0.082 25 0 "[ . 1 . 2 .]" 1
735 1 71 ALA HA 1 73 LEU H 5.000 . 5.000 4.284 3.801 4.546 . 0 0 "[ . 1 . 2 .]" 1
736 1 71 ALA HA 1 74 VAL HB 3.400 . 3.400 3.161 2.883 3.456 0.056 25 0 "[ . 1 . 2 .]" 1
737 1 71 ALA HA 1 74 VAL H 3.500 . 3.500 3.603 3.502 3.670 0.170 4 0 "[ . 1 . 2 .]" 1
738 1 71 ALA HA 1 75 GLY H 5.000 . 5.000 3.649 3.013 4.079 . 0 0 "[ . 1 . 2 .]" 1
739 1 71 ALA MB 1 72 HIS H 2.800 . 2.800 2.552 2.141 2.809 0.009 21 0 "[ . 1 . 2 .]" 1
740 1 71 ALA MB 1 73 LEU H 5.000 . 5.000 4.496 3.993 4.750 . 0 0 "[ . 1 . 2 .]" 1
741 1 71 ALA MB 1 74 VAL H 5.000 . 5.000 4.897 4.780 4.990 . 0 0 "[ . 1 . 2 .]" 1
742 1 71 ALA H 1 71 ALA HA 2.800 . 2.800 2.847 2.820 2.887 0.087 25 0 "[ . 1 . 2 .]" 1
743 1 71 ALA H 1 71 ALA MB 2.800 . 2.800 2.064 1.918 2.170 . 0 0 "[ . 1 . 2 .]" 1
744 1 71 ALA H 1 72 HIS H 3.500 . 3.500 2.697 2.491 2.835 . 0 0 "[ . 1 . 2 .]" 1
745 1 71 ALA H 1 73 LEU H 5.000 . 5.000 4.211 3.620 4.470 . 0 0 "[ . 1 . 2 .]" 1
746 1 72 HIS HA 1 73 LEU H 5.000 . 5.000 3.568 3.471 3.618 . 0 0 "[ . 1 . 2 .]" 1
747 1 72 HIS HA 1 75 GLY H 5.000 . 5.000 3.972 3.536 4.399 . 0 0 "[ . 1 . 2 .]" 1
748 1 72 HIS HA 1 76 ALA H 5.000 . 5.000 4.014 3.532 4.375 . 0 0 "[ . 1 . 2 .]" 1
749 1 60 TRP HZ2 1 72 HIS QB 5.000 . 5.000 4.881 4.045 5.162 0.162 11 0 "[ . 1 . 2 .]" 1
750 1 72 HIS QB 1 72 HIS HD2 3.400 . 3.400 2.856 2.714 2.982 . 0 0 "[ . 1 . 2 .]" 1
751 1 72 HIS HD2 1 73 LEU QB 3.400 . 3.400 3.543 3.113 3.847 0.447 25 0 "[ . 1 . 2 .]" 1
752 1 72 HIS HD2 1 73 LEU H 3.500 . 3.500 2.896 2.340 3.559 0.059 8 0 "[ . 1 . 2 .]" 1
753 1 72 HIS H 1 72 HIS HA 2.800 . 2.800 2.838 2.807 2.888 0.088 17 0 "[ . 1 . 2 .]" 1
754 1 72 HIS H 1 72 HIS QB 2.800 . 2.800 2.059 1.930 2.842 0.042 25 0 "[ . 1 . 2 .]" 1
755 1 72 HIS H 1 73 LEU H 2.800 . 2.800 2.736 2.471 2.835 0.035 15 0 "[ . 1 . 2 .]" 1
756 1 72 HIS H 1 74 VAL H 5.000 . 5.000 4.728 4.553 4.933 . 0 0 "[ . 1 . 2 .]" 1
757 1 73 LEU HA 1 73 LEU MD1 3.700 . 3.700 2.675 1.891 3.368 . 0 0 "[ . 1 . 2 .]" 1
758 1 73 LEU HA 1 73 LEU MD2 3.700 . 3.700 2.674 1.575 4.023 0.323 17 0 "[ . 1 . 2 .]" 1
759 1 73 LEU HA 1 74 VAL H 3.500 . 3.500 3.628 3.585 3.656 0.156 11 0 "[ . 1 . 2 .]" 1
760 1 60 TRP HZ2 1 73 LEU QB 5.000 . 5.000 4.476 2.299 5.100 0.100 6 0 "[ . 1 . 2 .]" 1
761 1 73 LEU QB 1 74 VAL H 3.400 . 3.400 2.355 2.034 2.971 . 0 0 "[ . 1 . 2 .]" 1
762 1 73 LEU MD1 1 76 ALA MB 3.700 . 3.700 3.840 3.338 4.128 0.428 11 0 "[ . 1 . 2 .]" 1
763 1 73 LEU MD2 1 74 VAL H 5.300 . 5.300 4.118 2.944 4.476 . 0 0 "[ . 1 . 2 .]" 1
764 1 73 LEU HG 1 74 VAL H 5.000 . 5.000 4.328 1.849 4.794 . 0 0 "[ . 1 . 2 .]" 1
765 1 73 LEU H 1 73 LEU HA 2.800 . 2.800 2.818 2.747 2.896 0.096 12 0 "[ . 1 . 2 .]" 1
766 1 73 LEU H 1 73 LEU QB 2.800 . 2.800 1.891 1.783 2.014 . 0 0 "[ . 1 . 2 .]" 1
767 1 73 LEU H 1 73 LEU MD1 5.300 . 5.300 3.558 2.146 4.293 . 0 0 "[ . 1 . 2 .]" 1
768 1 73 LEU H 1 73 LEU MD2 5.300 . 5.300 3.287 1.813 4.325 . 0 0 "[ . 1 . 2 .]" 1
769 1 73 LEU H 1 73 LEU HG 3.400 . 3.400 3.637 3.424 3.976 0.576 23 1 "[ . 1 . 2 + .]" 1
770 1 73 LEU H 1 74 VAL H 3.500 . 3.500 3.030 2.719 3.256 . 0 0 "[ . 1 . 2 .]" 1
771 1 74 VAL HA 1 74 VAL MG1 3.700 . 3.700 2.345 2.143 2.415 . 0 0 "[ . 1 . 2 .]" 1
772 1 74 VAL HA 1 74 VAL MG2 3.700 . 3.700 2.379 2.203 2.484 . 0 0 "[ . 1 . 2 .]" 1
773 1 74 VAL HA 1 75 GLY H 5.000 . 5.000 3.549 3.504 3.575 . 0 0 "[ . 1 . 2 .]" 1
774 1 74 VAL HA 1 76 ALA H 5.000 . 5.000 4.120 3.776 4.736 . 0 0 "[ . 1 . 2 .]" 1
775 1 74 VAL HA 1 77 LEU QB 3.400 . 3.400 2.798 1.875 3.553 0.153 7 0 "[ . 1 . 2 .]" 1
776 1 74 VAL HA 1 77 LEU MD1 3.700 . 3.700 2.123 1.705 3.046 . 0 0 "[ . 1 . 2 .]" 1
777 1 74 VAL HA 1 77 LEU H 3.500 . 3.500 3.399 3.076 3.572 0.072 2 0 "[ . 1 . 2 .]" 1
778 1 74 VAL HA 1 78 ARG H 5.000 . 5.000 4.303 3.771 4.783 . 0 0 "[ . 1 . 2 .]" 1
779 1 74 VAL HA 1 86 ALA MB 3.400 . 3.400 3.324 2.811 3.512 0.112 4 0 "[ . 1 . 2 .]" 1
780 1 74 VAL HB 1 75 GLY H 2.800 . 2.800 2.300 2.021 2.627 . 0 0 "[ . 1 . 2 .]" 1
781 1 74 VAL MG1 1 75 GLY H 3.700 . 3.700 3.368 3.069 3.605 . 0 0 "[ . 1 . 2 .]" 1
782 1 74 VAL MG1 1 78 ARG HE 3.800 . 3.800 3.309 2.081 3.827 0.027 24 0 "[ . 1 . 2 .]" 1
783 1 74 VAL MG1 1 86 ALA HA 3.700 . 3.700 2.562 1.931 3.035 . 0 0 "[ . 1 . 2 .]" 1
784 1 74 VAL MG1 1 89 VAL H 3.700 . 3.700 3.771 3.384 3.847 0.147 15 0 "[ . 1 . 2 .]" 1
785 1 74 VAL MG1 1 90 GLN HG3 3.700 . 3.700 2.243 1.788 3.310 . 0 0 "[ . 1 . 2 .]" 1
786 1 74 VAL MG1 1 90 GLN HG2 3.700 . 3.700 2.834 1.537 3.711 0.011 4 0 "[ . 1 . 2 .]" 1
787 1 74 VAL MG2 1 75 GLY H 5.300 . 5.300 3.660 3.522 3.855 . 0 0 "[ . 1 . 2 .]" 1
788 1 74 VAL MG2 1 86 ALA HA 3.700 . 3.700 3.644 3.137 3.850 0.150 23 0 "[ . 1 . 2 .]" 1
789 1 74 VAL MG2 1 89 VAL H 3.700 . 3.700 3.745 3.460 3.824 0.124 4 0 "[ . 1 . 2 .]" 1
790 1 74 VAL MG2 1 90 GLN HG3 3.700 . 3.700 3.899 3.785 4.010 0.310 14 0 "[ . 1 . 2 .]" 1
791 1 74 VAL H 1 74 VAL HB 2.800 . 2.800 2.578 2.404 2.709 . 0 0 "[ . 1 . 2 .]" 1
792 1 74 VAL H 1 74 VAL MG1 3.700 . 3.700 3.733 3.697 3.758 0.058 12 0 "[ . 1 . 2 .]" 1
793 1 74 VAL H 1 74 VAL MG2 3.100 . 3.100 2.042 1.826 2.392 . 0 0 "[ . 1 . 2 .]" 1
794 1 74 VAL H 1 75 GLY H 3.500 . 3.500 2.807 2.506 3.023 . 0 0 "[ . 1 . 2 .]" 1
795 1 74 VAL H 1 92 VAL MG1 3.800 . 3.800 3.871 3.769 3.961 0.161 5 0 "[ . 1 . 2 .]" 1
796 1 75 GLY QA 1 76 ALA H 3.400 . 3.400 2.790 2.613 2.911 . 0 0 "[ . 1 . 2 .]" 1
797 1 75 GLY H 1 75 GLY QA 2.800 . 2.800 2.249 2.239 2.283 . 0 0 "[ . 1 . 2 .]" 1
798 1 75 GLY H 1 76 ALA H 2.800 . 2.800 2.728 2.366 2.910 0.110 8 0 "[ . 1 . 2 .]" 1
799 1 75 GLY H 1 92 VAL MG1 5.300 . 5.300 5.495 5.396 5.628 0.328 5 0 "[ . 1 . 2 .]" 1
800 1 76 ALA HA 1 77 LEU H 3.500 . 3.500 3.551 3.491 3.587 0.087 7 0 "[ . 1 . 2 .]" 1
801 1 76 ALA HA 1 79 SER QB 3.400 . 3.400 2.977 2.344 3.411 0.011 23 0 "[ . 1 . 2 .]" 1
802 1 76 ALA HA 1 79 SER H 3.500 . 3.500 3.538 3.447 3.619 0.119 11 0 "[ . 1 . 2 .]" 1
803 1 73 LEU HA 1 76 ALA MB 3.400 . 3.400 2.360 1.697 3.026 . 0 0 "[ . 1 . 2 .]" 1
804 1 76 ALA MB 1 77 LEU H 2.800 . 2.800 2.422 2.097 2.809 0.009 24 0 "[ . 1 . 2 .]" 1
805 1 76 ALA H 1 76 ALA HA 2.800 . 2.800 2.880 2.834 2.930 0.130 7 0 "[ . 1 . 2 .]" 1
806 1 76 ALA H 1 76 ALA MB 2.800 . 2.800 2.076 1.911 2.186 . 0 0 "[ . 1 . 2 .]" 1
807 1 76 ALA H 1 77 LEU H 2.800 . 2.800 2.629 2.420 2.819 0.019 14 0 "[ . 1 . 2 .]" 1
808 1 77 LEU HA 1 77 LEU MD1 3.400 . 3.400 3.615 3.403 3.730 0.330 22 0 "[ . 1 . 2 .]" 1
809 1 77 LEU HA 1 77 LEU MD2 3.400 . 3.400 2.427 1.729 3.340 . 0 0 "[ . 1 . 2 .]" 1
810 1 77 LEU HA 1 78 ARG H 3.500 . 3.500 3.533 3.445 3.569 0.069 11 0 "[ . 1 . 2 .]" 1
811 1 77 LEU HA 1 80 CYS H 3.500 . 3.500 3.414 3.182 3.671 0.171 7 0 "[ . 1 . 2 .]" 1
812 1 77 LEU QB 1 78 ARG H 3.400 . 3.400 2.635 2.235 3.461 0.061 7 0 "[ . 1 . 2 .]" 1
813 1 77 LEU MD1 1 78 ARG H 5.300 . 5.300 3.926 1.758 4.778 . 0 0 "[ . 1 . 2 .]" 1
814 1 77 LEU MD1 1 82 MET ME 3.700 . 3.700 3.739 3.431 3.837 0.137 21 0 "[ . 1 . 2 .]" 1
815 1 77 LEU MD1 1 85 VAL H 5.300 . 5.300 5.076 3.956 5.454 0.154 20 0 "[ . 1 . 2 .]" 1
816 1 77 LEU MD1 1 86 ALA HA 3.700 . 3.700 2.119 1.661 3.252 . 0 0 "[ . 1 . 2 .]" 1
817 1 77 LEU MD1 1 86 ALA MB 3.700 . 3.700 2.837 1.648 3.761 0.061 8 0 "[ . 1 . 2 .]" 1
818 1 77 LEU MD1 1 86 ALA H 3.800 . 3.800 3.138 2.082 3.722 . 0 0 "[ . 1 . 2 .]" 1
819 1 77 LEU MD1 1 89 VAL HB 3.700 . 3.700 3.046 2.457 3.745 0.045 8 0 "[ . 1 . 2 .]" 1
820 1 77 LEU MD1 1 89 VAL H 5.300 . 5.300 4.078 3.436 4.930 . 0 0 "[ . 1 . 2 .]" 1
821 1 77 LEU MD2 1 86 ALA HA 3.700 . 3.700 3.629 2.169 4.029 0.329 17 0 "[ . 1 . 2 .]" 1
822 1 77 LEU H 1 77 LEU HG 5.000 . 5.000 2.675 1.978 4.315 . 0 0 "[ . 1 . 2 .]" 1
823 1 77 LEU H 1 77 LEU HA 2.800 . 2.800 2.824 2.740 2.878 0.078 21 0 "[ . 1 . 2 .]" 1
824 1 77 LEU H 1 77 LEU QB 2.800 . 2.800 2.191 1.920 2.485 . 0 0 "[ . 1 . 2 .]" 1
825 1 77 LEU H 1 77 LEU MD1 3.800 . 3.800 2.880 1.840 3.992 0.192 8 0 "[ . 1 . 2 .]" 1
826 1 77 LEU H 1 77 LEU MD2 3.700 . 3.700 3.661 2.069 3.907 0.207 4 0 "[ . 1 . 2 .]" 1
827 1 77 LEU H 1 78 ARG H 3.500 . 3.500 2.726 2.465 2.964 . 0 0 "[ . 1 . 2 .]" 1
828 1 78 ARG HA 1 78 ARG QG 3.400 . 3.400 2.314 2.006 2.780 . 0 0 "[ . 1 . 2 .]" 1
829 1 78 ARG HA 1 79 SER H 3.500 . 3.500 3.540 3.477 3.562 0.062 18 0 "[ . 1 . 2 .]" 1
830 1 78 ARG QB 1 79 SER H 2.800 . 2.800 2.556 2.153 2.844 0.044 23 0 "[ . 1 . 2 .]" 1
831 1 78 ARG QB 1 78 ARG HE 3.500 . 3.500 2.643 1.919 3.579 0.079 1 0 "[ . 1 . 2 .]" 1
832 1 78 ARG QD 1 78 ARG HE 2.800 . 2.800 2.399 2.256 2.537 . 0 0 "[ . 1 . 2 .]" 1
833 1 78 ARG HE 1 86 ALA MB 3.500 . 3.500 3.028 1.759 3.555 0.055 1 0 "[ . 1 . 2 .]" 1
834 1 78 ARG H 1 78 ARG HA 2.800 . 2.800 2.836 2.794 2.884 0.084 4 0 "[ . 1 . 2 .]" 1
835 1 78 ARG H 1 78 ARG QB 2.800 . 2.800 2.116 1.896 2.596 . 0 0 "[ . 1 . 2 .]" 1
836 1 78 ARG H 1 79 SER H 2.800 . 2.800 2.731 2.532 2.839 0.039 18 0 "[ . 1 . 2 .]" 1
837 1 79 SER HA 1 80 CYS H 3.500 . 3.500 3.491 3.396 3.558 0.058 7 0 "[ . 1 . 2 .]" 1
838 1 79 SER HA 1 81 GLN H 5.000 . 5.000 3.591 3.242 3.995 . 0 0 "[ . 1 . 2 .]" 1
839 1 79 SER QB 1 80 CYS H 3.500 . 3.500 2.895 2.223 3.271 . 0 0 "[ . 1 . 2 .]" 1
840 1 79 SER H 1 79 SER HA 2.800 . 2.800 2.868 2.801 2.920 0.120 23 0 "[ . 1 . 2 .]" 1
841 1 79 SER H 1 79 SER QB 2.800 . 2.800 2.125 1.896 2.657 . 0 0 "[ . 1 . 2 .]" 1
842 1 79 SER H 1 80 CYS H 2.800 . 2.800 2.634 2.507 2.884 0.084 7 0 "[ . 1 . 2 .]" 1
843 1 80 CYS HA 1 81 GLN H 3.500 . 3.500 3.091 2.934 3.301 . 0 0 "[ . 1 . 2 .]" 1
844 1 80 CYS QB 1 81 GLN H 5.000 . 5.000 3.662 3.381 3.999 . 0 0 "[ . 1 . 2 .]" 1
845 1 80 CYS H 1 80 CYS HA 2.800 . 2.800 2.935 2.877 2.974 0.174 20 0 "[ . 1 . 2 .]" 1
846 1 80 CYS H 1 80 CYS QB 3.400 . 3.400 2.204 1.974 2.634 . 0 0 "[ . 1 . 2 .]" 1
847 1 80 CYS H 1 81 GLN H 2.800 . 2.800 2.798 2.661 2.905 0.105 12 0 "[ . 1 . 2 .]" 1
848 1 81 GLN HA 1 81 GLN QG 3.400 . 3.400 2.430 2.139 3.061 . 0 0 "[ . 1 . 2 .]" 1
849 1 81 GLN HA 1 82 MET H 2.800 . 2.800 2.957 2.878 3.027 0.227 24 0 "[ . 1 . 2 .]" 1
850 1 81 GLN HA 1 83 ASN QD 3.500 . 3.500 3.199 2.320 3.503 0.003 15 0 "[ . 1 . 2 .]" 1
851 1 81 GLN HA 1 83 ASN H 5.000 . 5.000 3.745 3.303 4.393 . 0 0 "[ . 1 . 2 .]" 1
852 1 81 GLN QB 1 82 MET H 3.500 . 3.500 3.676 3.610 3.756 0.256 18 0 "[ . 1 . 2 .]" 1
853 1 81 GLN H 1 81 GLN HA 2.800 . 2.800 2.357 2.347 2.368 . 0 0 "[ . 1 . 2 .]" 1
854 1 81 GLN H 1 81 GLN QB 3.400 . 3.400 3.265 3.053 3.399 . 0 0 "[ . 1 . 2 .]" 1
855 1 81 GLN H 1 81 GLN QG 2.800 . 2.800 2.525 2.269 2.833 0.033 14 0 "[ . 1 . 2 .]" 1
856 1 81 GLN H 1 82 MET H 2.800 . 2.800 2.687 2.544 2.845 0.045 21 0 "[ . 1 . 2 .]" 1
857 1 82 MET HA 1 82 MET QG 3.400 . 3.400 2.465 1.996 3.320 . 0 0 "[ . 1 . 2 .]" 1
858 1 82 MET HA 1 83 ASN H 2.800 . 2.800 2.690 2.467 2.848 0.048 20 0 "[ . 1 . 2 .]" 1
859 1 82 MET H 1 82 MET ME 5.000 . 5.000 4.333 3.443 5.008 0.008 13 0 "[ . 1 . 2 .]" 1
860 1 82 MET H 1 82 MET QG 3.400 . 3.400 2.800 1.797 3.707 0.307 13 0 "[ . 1 . 2 .]" 1
861 1 82 MET H 1 83 ASN QD 5.000 . 5.000 3.905 2.891 4.911 . 0 0 "[ . 1 . 2 .]" 1
862 1 82 MET H 1 83 ASN H 3.500 . 3.500 3.163 2.537 3.516 0.016 5 0 "[ . 1 . 2 .]" 1
863 1 83 ASN HA 1 84 LEU H 3.500 . 3.500 3.563 3.517 3.598 0.098 20 0 "[ . 1 . 2 .]" 1
864 1 83 ASN HA 1 85 VAL H 5.000 . 5.000 4.429 4.174 4.785 . 0 0 "[ . 1 . 2 .]" 1
865 1 83 ASN HA 1 86 ALA MB 3.400 . 3.400 2.156 1.830 2.482 . 0 0 "[ . 1 . 2 .]" 1
866 1 83 ASN HA 1 86 ALA H 3.400 . 3.400 3.464 3.267 3.522 0.122 3 0 "[ . 1 . 2 .]" 1
867 1 83 ASN HA 1 87 ASP H 5.000 . 5.000 3.642 3.325 4.083 . 0 0 "[ . 1 . 2 .]" 1
868 1 83 ASN QB 1 84 LEU H 3.500 . 3.500 2.748 2.168 3.528 0.028 13 0 "[ . 1 . 2 .]" 1
869 1 83 ASN H 1 83 ASN HA 2.800 . 2.800 2.810 2.727 2.872 0.072 4 0 "[ . 1 . 2 .]" 1
870 1 83 ASN H 1 83 ASN QB 2.800 . 2.800 2.293 1.949 2.615 . 0 0 "[ . 1 . 2 .]" 1
871 1 83 ASN H 1 83 ASN HD21 5.000 . 5.000 2.339 1.742 3.966 . 0 0 "[ . 1 . 2 .]" 1
872 1 83 ASN H 1 83 ASN HD22 5.000 . 5.000 3.478 2.745 4.335 . 0 0 "[ . 1 . 2 .]" 1
873 1 83 ASN H 1 84 LEU H 3.500 . 3.500 2.882 2.677 3.071 . 0 0 "[ . 1 . 2 .]" 1
874 1 84 LEU HA 1 84 LEU HG 3.400 . 3.400 2.630 2.201 3.514 0.114 3 0 "[ . 1 . 2 .]" 1
875 1 84 LEU HA 1 85 VAL H 3.500 . 3.500 3.551 3.532 3.578 0.078 18 0 "[ . 1 . 2 .]" 1
876 1 84 LEU QB 1 85 VAL H 3.400 . 3.400 2.360 1.983 2.890 . 0 0 "[ . 1 . 2 .]" 1
877 1 84 LEU H 1 84 LEU HA 2.800 . 2.800 2.800 2.760 2.823 0.023 14 0 "[ . 1 . 2 .]" 1
878 1 84 LEU H 1 84 LEU QB 2.800 . 2.800 2.204 1.932 2.750 . 0 0 "[ . 1 . 2 .]" 1
879 1 84 LEU H 1 84 LEU MD1 3.800 . 3.800 2.861 2.027 3.873 0.073 2 0 "[ . 1 . 2 .]" 1
880 1 84 LEU H 1 84 LEU MD2 3.800 . 3.800 3.557 1.815 4.028 0.228 25 0 "[ . 1 . 2 .]" 1
881 1 84 LEU H 1 85 VAL H 2.800 . 2.800 2.885 2.823 2.960 0.160 14 0 "[ . 1 . 2 .]" 1
882 1 85 VAL HA 1 85 VAL MG1 3.700 . 3.700 2.297 2.181 2.401 . 0 0 "[ . 1 . 2 .]" 1
883 1 85 VAL HA 1 85 VAL MG2 3.700 . 3.700 2.419 2.243 2.536 . 0 0 "[ . 1 . 2 .]" 1
884 1 85 VAL HA 1 86 ALA H 3.500 . 3.500 3.543 3.517 3.572 0.072 16 0 "[ . 1 . 2 .]" 1
885 1 85 VAL HA 1 87 ASP H 5.000 . 5.000 3.864 3.700 4.085 . 0 0 "[ . 1 . 2 .]" 1
886 1 85 VAL HA 1 88 LEU QB 3.400 . 3.400 3.573 3.388 3.826 0.426 4 0 "[ . 1 . 2 .]" 1
887 1 85 VAL HA 1 88 LEU MD1 3.800 . 3.800 3.671 3.332 3.845 0.045 25 0 "[ . 1 . 2 .]" 1
888 1 85 VAL HA 1 88 LEU H 3.500 . 3.500 3.309 3.152 3.435 . 0 0 "[ . 1 . 2 .]" 1
889 1 85 VAL HB 1 86 ALA H 2.800 . 2.800 1.982 1.838 2.335 . 0 0 "[ . 1 . 2 .]" 1
890 1 85 VAL MG1 1 86 ALA H 3.800 . 3.800 3.159 2.760 3.609 . 0 0 "[ . 1 . 2 .]" 1
891 1 85 VAL MG1 1 87 ASP H 5.300 . 5.300 4.601 4.401 4.880 . 0 0 "[ . 1 . 2 .]" 1
892 1 85 VAL MG2 1 86 ALA H 3.100 . 3.100 3.429 3.265 3.532 0.432 7 0 "[ . 1 . 2 .]" 1
893 1 85 VAL MG2 1 87 ASP H 5.300 . 5.300 4.796 4.632 4.934 . 0 0 "[ . 1 . 2 .]" 1
894 1 85 VAL H 1 85 VAL HB 2.800 . 2.800 2.525 2.371 2.693 . 0 0 "[ . 1 . 2 .]" 1
895 1 85 VAL H 1 85 VAL MG1 3.700 . 3.700 3.707 3.682 3.734 0.034 3 0 "[ . 1 . 2 .]" 1
896 1 85 VAL H 1 85 VAL MG2 3.100 . 3.100 1.940 1.708 2.256 . 0 0 "[ . 1 . 2 .]" 1
897 1 85 VAL H 1 86 ALA MB 5.000 . 5.000 4.089 3.894 4.185 . 0 0 "[ . 1 . 2 .]" 1
898 1 85 VAL H 1 86 ALA H 2.800 . 2.800 2.716 2.543 2.811 0.011 18 0 "[ . 1 . 2 .]" 1
899 1 86 ALA HA 1 87 ASP H 5.000 . 5.000 3.503 3.466 3.527 . 0 0 "[ . 1 . 2 .]" 1
900 1 86 ALA HA 1 89 VAL HB 3.400 . 3.400 3.115 2.705 3.423 0.023 15 0 "[ . 1 . 2 .]" 1
901 1 86 ALA HA 1 89 VAL H 3.400 . 3.400 3.471 3.322 3.559 0.159 3 0 "[ . 1 . 2 .]" 1
902 1 78 ARG QD 1 86 ALA MB 5.000 . 5.000 3.321 1.857 4.743 . 0 0 "[ . 1 . 2 .]" 1
903 1 86 ALA MB 1 87 ASP H 2.800 . 2.800 2.772 2.587 2.878 0.078 10 0 "[ . 1 . 2 .]" 1
904 1 86 ALA H 1 86 ALA HA 2.800 . 2.800 2.796 2.776 2.865 0.065 24 0 "[ . 1 . 2 .]" 1
905 1 86 ALA H 1 86 ALA MB 2.800 . 2.800 2.003 1.943 2.147 . 0 0 "[ . 1 . 2 .]" 1
906 1 86 ALA H 1 87 ASP H 2.800 . 2.800 2.803 2.557 2.873 0.073 18 0 "[ . 1 . 2 .]" 1
907 1 87 ASP HA 1 88 LEU H 3.500 . 3.500 3.602 3.570 3.622 0.122 6 0 "[ . 1 . 2 .]" 1
908 1 87 ASP HA 1 90 GLN QB 3.400 . 3.400 2.424 1.882 3.495 0.095 5 0 "[ . 1 . 2 .]" 1
909 1 87 ASP QB 1 88 LEU H 2.800 . 2.800 2.463 2.216 2.657 . 0 0 "[ . 1 . 2 .]" 1
910 1 87 ASP H 1 87 ASP HA 2.800 . 2.800 2.864 2.837 2.899 0.099 5 0 "[ . 1 . 2 .]" 1
911 1 87 ASP H 1 87 ASP QB 2.800 . 2.800 2.078 1.931 2.176 . 0 0 "[ . 1 . 2 .]" 1
912 1 87 ASP H 1 88 LEU H 3.500 . 3.500 2.747 2.585 2.897 . 0 0 "[ . 1 . 2 .]" 1
913 1 88 LEU HA 1 88 LEU MD2 3.800 . 3.800 3.754 3.590 3.883 0.083 25 0 "[ . 1 . 2 .]" 1
914 1 88 LEU HA 1 88 LEU HG 3.400 . 3.400 3.478 3.441 3.514 0.114 4 0 "[ . 1 . 2 .]" 1
915 1 88 LEU HA 1 89 VAL H 3.400 . 3.400 3.528 3.500 3.554 0.154 12 0 "[ . 1 . 2 .]" 1
916 1 88 LEU HA 1 91 GLU H 3.400 . 3.400 3.396 3.089 3.545 0.145 5 0 "[ . 1 . 2 .]" 1
917 1 88 LEU QB 1 89 VAL H 3.400 . 3.400 3.462 3.391 3.524 0.124 5 0 "[ . 1 . 2 .]" 1
918 1 88 LEU MD2 1 89 VAL H 3.100 . 3.100 2.619 1.988 3.280 0.180 14 0 "[ . 1 . 2 .]" 1
919 1 88 LEU H 1 88 LEU HA 2.800 . 2.800 2.870 2.847 2.900 0.100 14 0 "[ . 1 . 2 .]" 1
920 1 88 LEU H 1 88 LEU QB 2.800 . 2.800 2.166 2.049 2.479 . 0 0 "[ . 1 . 2 .]" 1
921 1 88 LEU H 1 88 LEU MD1 3.800 . 3.800 3.973 3.812 4.033 0.233 7 0 "[ . 1 . 2 .]" 1
922 1 88 LEU H 1 88 LEU MD2 3.800 . 3.800 1.947 1.770 2.293 . 0 0 "[ . 1 . 2 .]" 1
923 1 88 LEU H 1 88 LEU HG 3.400 . 3.400 3.141 2.256 3.526 0.126 6 0 "[ . 1 . 2 .]" 1
924 1 88 LEU H 1 89 VAL H 2.800 . 2.800 2.577 2.452 2.648 . 0 0 "[ . 1 . 2 .]" 1
925 1 89 VAL HA 1 89 VAL MG1 3.700 . 3.700 2.105 1.955 2.175 . 0 0 "[ . 1 . 2 .]" 1
926 1 89 VAL HA 1 90 GLN H 5.000 . 5.000 3.534 3.482 3.605 . 0 0 "[ . 1 . 2 .]" 1
927 1 89 VAL HA 1 92 VAL HB 3.400 . 3.400 2.029 1.655 2.322 . 0 0 "[ . 1 . 2 .]" 1
928 1 89 VAL HA 1 92 VAL H 5.000 . 5.000 2.679 2.509 2.937 . 0 0 "[ . 1 . 2 .]" 1
929 1 89 VAL HA 1 93 GLN H 5.000 . 5.000 4.581 4.168 4.957 . 0 0 "[ . 1 . 2 .]" 1
930 1 89 VAL HB 1 90 GLN H 3.400 . 3.400 3.063 2.747 3.212 . 0 0 "[ . 1 . 2 .]" 1
931 1 89 VAL H 1 89 VAL HA 2.800 . 2.800 2.904 2.881 2.922 0.122 24 0 "[ . 1 . 2 .]" 1
932 1 89 VAL H 1 89 VAL HB 2.800 . 2.800 2.944 2.842 3.056 0.256 17 0 "[ . 1 . 2 .]" 1
933 1 89 VAL H 1 89 VAL MG1 3.700 . 3.700 3.612 3.510 3.702 0.002 24 0 "[ . 1 . 2 .]" 1
934 1 89 VAL H 1 89 VAL MG2 3.100 . 3.100 1.783 1.682 1.887 . 0 0 "[ . 1 . 2 .]" 1
935 1 90 GLN HA 1 90 GLN QG 3.400 . 3.400 2.227 1.833 3.334 . 0 0 "[ . 1 . 2 .]" 1
936 1 90 GLN QE 1 92 VAL MG1 5.300 . 5.300 5.358 5.118 5.420 0.120 18 0 "[ . 1 . 2 .]" 1
937 1 90 GLN H 1 90 GLN HA 2.800 . 2.800 2.848 2.831 2.868 0.068 17 0 "[ . 1 . 2 .]" 1
938 1 90 GLN H 1 90 GLN QB 2.800 . 2.800 2.118 1.965 2.577 . 0 0 "[ . 1 . 2 .]" 1
939 1 90 GLN H 1 90 GLN QG 3.400 . 3.400 2.957 1.769 3.510 0.110 6 0 "[ . 1 . 2 .]" 1
940 1 90 GLN H 1 91 GLU H 2.800 . 2.800 2.597 2.505 2.722 . 0 0 "[ . 1 . 2 .]" 1
941 1 91 GLU HA 1 91 GLU QG 3.400 . 3.400 2.331 1.935 3.381 . 0 0 "[ . 1 . 2 .]" 1
942 1 91 GLU HA 1 92 VAL H 3.500 . 3.500 3.525 3.498 3.551 0.051 19 0 "[ . 1 . 2 .]" 1
943 1 91 GLU QB 1 92 VAL H 2.800 . 2.800 2.633 2.399 2.875 0.075 22 0 "[ . 1 . 2 .]" 1
944 1 91 GLU H 1 91 GLU HA 2.800 . 2.800 2.855 2.831 2.874 0.074 17 0 "[ . 1 . 2 .]" 1
945 1 91 GLU H 1 91 GLU QB 2.800 . 2.800 2.057 1.900 2.490 . 0 0 "[ . 1 . 2 .]" 1
946 1 91 GLU H 1 91 GLU QG 3.400 . 3.400 2.992 1.835 3.586 0.186 23 0 "[ . 1 . 2 .]" 1
947 1 91 GLU H 1 92 VAL H 2.800 . 2.800 2.523 2.427 2.629 . 0 0 "[ . 1 . 2 .]" 1
948 1 92 VAL HA 1 92 VAL MG1 3.700 . 3.700 3.128 3.054 3.203 . 0 0 "[ . 1 . 2 .]" 1
949 1 92 VAL HA 1 92 VAL MG2 3.700 . 3.700 2.065 1.931 2.157 . 0 0 "[ . 1 . 2 .]" 1
950 1 92 VAL HA 1 93 GLN H 3.500 . 3.500 3.522 3.496 3.546 0.046 4 0 "[ . 1 . 2 .]" 1
951 1 92 VAL HA 1 95 ALA MB 3.400 . 3.400 2.836 2.251 3.382 . 0 0 "[ . 1 . 2 .]" 1
952 1 92 VAL HA 1 95 ALA H 3.500 . 3.500 3.526 3.190 3.731 0.231 22 0 "[ . 1 . 2 .]" 1
953 1 92 VAL HB 1 93 GLN H 2.800 . 2.800 3.093 2.935 3.231 0.431 22 0 "[ . 1 . 2 .]" 1
954 1 92 VAL MG1 1 93 GLN H 3.700 . 3.700 1.685 1.508 1.791 . 0 0 "[ . 1 . 2 .]" 1
955 1 92 VAL MG2 1 93 GLN H 3.800 . 3.800 3.840 3.713 3.894 0.094 17 0 "[ . 1 . 2 .]" 1
956 1 92 VAL H 1 92 VAL HA 2.800 . 2.800 2.818 2.777 2.877 0.077 10 0 "[ . 1 . 2 .]" 1
957 1 92 VAL H 1 92 VAL HB 2.800 . 2.800 1.971 1.874 2.036 . 0 0 "[ . 1 . 2 .]" 1
958 1 92 VAL H 1 92 VAL MG1 3.700 . 3.700 3.023 2.863 3.138 . 0 0 "[ . 1 . 2 .]" 1
959 1 92 VAL H 1 93 GLN H 2.800 . 2.800 2.833 2.676 2.920 0.120 22 0 "[ . 1 . 2 .]" 1
960 1 93 GLN HA 1 93 GLN QG 3.400 . 3.400 2.352 1.919 3.041 . 0 0 "[ . 1 . 2 .]" 1
961 1 93 GLN HA 1 94 GLN H 3.400 . 3.400 3.486 3.398 3.550 0.150 19 0 "[ . 1 . 2 .]" 1
962 1 93 GLN QE 1 93 GLN QG 2.800 . 2.800 2.339 2.170 2.761 . 0 0 "[ . 1 . 2 .]" 1
963 1 93 GLN H 1 93 GLN HA 2.800 . 2.800 2.853 2.805 2.898 0.098 3 0 "[ . 1 . 2 .]" 1
964 1 93 GLN H 1 93 GLN QB 2.800 . 2.800 2.108 1.960 2.193 . 0 0 "[ . 1 . 2 .]" 1
965 1 93 GLN H 1 94 GLN H 2.800 . 2.800 2.668 2.516 2.825 0.025 18 0 "[ . 1 . 2 .]" 1
966 1 94 GLN HA 1 94 GLN QG 3.400 . 3.400 2.334 1.913 3.113 . 0 0 "[ . 1 . 2 .]" 1
967 1 94 GLN HA 1 97 ASP QB 3.400 . 3.400 2.738 1.773 3.448 0.048 12 0 "[ . 1 . 2 .]" 1
968 1 94 GLN QB 1 95 ALA H 2.800 . 2.800 2.797 2.268 2.966 0.166 1 0 "[ . 1 . 2 .]" 1
969 1 94 GLN QG 1 95 ALA H 5.000 . 5.000 4.018 2.449 4.531 . 0 0 "[ . 1 . 2 .]" 1
970 1 94 GLN H 1 94 GLN HA 2.800 . 2.800 2.914 2.829 2.942 0.142 5 0 "[ . 1 . 2 .]" 1
971 1 94 GLN H 1 94 GLN QB 2.800 . 2.800 2.070 1.923 2.444 . 0 0 "[ . 1 . 2 .]" 1
972 1 94 GLN H 1 94 GLN QG 3.400 . 3.400 3.058 2.062 3.519 0.119 20 0 "[ . 1 . 2 .]" 1
973 1 94 GLN H 1 95 ALA H 2.800 . 2.800 2.432 2.273 2.723 . 0 0 "[ . 1 . 2 .]" 1
974 1 95 ALA HA 1 96 ARG H 3.500 . 3.500 3.539 3.482 3.574 0.074 8 0 "[ . 1 . 2 .]" 1
975 1 95 ALA HA 1 98 LEU QB 3.400 . 3.400 3.177 1.927 3.494 0.094 17 0 "[ . 1 . 2 .]" 1
976 1 95 ALA MB 1 96 ARG H 2.800 . 2.800 2.492 1.863 2.822 0.022 21 0 "[ . 1 . 2 .]" 1
977 1 95 ALA H 1 95 ALA HA 2.800 . 2.800 2.842 2.749 2.936 0.136 3 0 "[ . 1 . 2 .]" 1
978 1 95 ALA H 1 95 ALA MB 2.800 . 2.800 2.050 1.898 2.182 . 0 0 "[ . 1 . 2 .]" 1
979 1 95 ALA H 1 96 ARG H 2.800 . 2.800 2.781 2.545 2.924 0.124 1 0 "[ . 1 . 2 .]" 1
980 1 96 ARG HA 1 96 ARG QG 3.400 . 3.400 2.462 2.049 3.422 0.022 4 0 "[ . 1 . 2 .]" 1
981 1 96 ARG HA 1 97 ASP H 3.400 . 3.400 3.506 3.466 3.542 0.142 14 0 "[ . 1 . 2 .]" 1
982 1 96 ARG HA 1 99 GLN H 3.500 . 3.500 3.464 3.002 3.668 0.168 20 0 "[ . 1 . 2 .]" 1
983 1 96 ARG QB 1 96 ARG HE 5.000 . 5.000 3.242 1.643 4.357 . 0 0 "[ . 1 . 2 .]" 1
984 1 96 ARG QB 1 97 ASP H 2.800 . 2.800 2.677 2.286 3.055 0.255 4 0 "[ . 1 . 2 .]" 1
985 1 96 ARG H 1 96 ARG HA 2.800 . 2.800 2.863 2.780 2.977 0.177 1 0 "[ . 1 . 2 .]" 1
986 1 96 ARG H 1 96 ARG QB 2.800 . 2.800 2.206 1.924 2.480 . 0 0 "[ . 1 . 2 .]" 1
987 1 96 ARG H 1 96 ARG QD 5.000 . 5.000 3.961 1.901 4.455 . 0 0 "[ . 1 . 2 .]" 1
988 1 96 ARG H 1 96 ARG QG 2.800 . 2.800 2.482 1.848 2.921 0.121 25 0 "[ . 1 . 2 .]" 1
989 1 96 ARG H 1 97 ASP H 2.800 . 2.800 2.587 1.946 2.883 0.083 25 0 "[ . 1 . 2 .]" 1
990 1 97 ASP HA 1 98 LEU H 3.500 . 3.500 3.514 3.391 3.578 0.078 5 0 "[ . 1 . 2 .]" 1
991 1 97 ASP HA 1 99 GLN H 5.000 . 5.000 4.103 3.646 4.995 . 0 0 "[ . 1 . 2 .]" 1
992 1 97 ASP HA 1 100 ASN H 5.000 . 5.000 4.297 3.371 5.050 0.050 13 0 "[ . 1 . 2 .]" 1
993 1 97 ASP QB 1 98 LEU H 3.400 . 3.400 2.689 2.143 3.173 . 0 0 "[ . 1 . 2 .]" 1
994 1 97 ASP H 1 97 ASP HA 2.800 . 2.800 2.857 2.790 2.931 0.131 20 0 "[ . 1 . 2 .]" 1
995 1 97 ASP H 1 97 ASP QB 2.800 . 2.800 2.088 1.929 2.351 . 0 0 "[ . 1 . 2 .]" 1
996 1 97 ASP H 1 98 LEU H 2.800 . 2.800 2.663 2.270 2.862 0.062 23 0 "[ . 1 . 2 .]" 1
997 1 98 LEU HA 1 98 LEU MD1 3.700 . 3.700 3.386 2.442 3.855 0.155 12 0 "[ . 1 . 2 .]" 1
998 1 98 LEU HA 1 98 LEU MD2 3.700 . 3.700 2.560 1.796 4.025 0.325 24 0 "[ . 1 . 2 .]" 1
999 1 98 LEU HA 1 98 LEU HG 3.400 . 3.400 2.822 2.061 3.523 0.123 22 0 "[ . 1 . 2 .]" 1
1000 1 98 LEU QB 1 99 GLN H 3.500 . 3.500 3.029 2.384 3.482 . 0 0 "[ . 1 . 2 .]" 1
1001 1 98 LEU H 1 98 LEU HA 2.800 . 2.800 2.889 2.823 2.959 0.159 24 0 "[ . 1 . 2 .]" 1
1002 1 98 LEU H 1 98 LEU QB 2.800 . 2.800 2.112 1.912 2.402 . 0 0 "[ . 1 . 2 .]" 1
1003 1 98 LEU H 1 98 LEU MD2 3.800 . 3.800 3.609 2.078 4.006 0.206 21 0 "[ . 1 . 2 .]" 1
1004 1 98 LEU H 1 98 LEU HG 3.400 . 3.400 2.964 2.180 3.592 0.192 19 0 "[ . 1 . 2 .]" 1
1005 1 98 LEU H 1 99 GLN H 2.800 . 2.800 2.529 1.878 2.776 . 0 0 "[ . 1 . 2 .]" 1
1006 1 99 GLN HA 1 99 GLN QG 3.400 . 3.400 2.412 1.922 3.291 . 0 0 "[ . 1 . 2 .]" 1
1007 1 99 GLN HA 1 100 ASN H 3.400 . 3.400 3.469 2.273 3.558 0.158 4 0 "[ . 1 . 2 .]" 1
1008 1 99 GLN QB 1 100 ASN H 2.800 . 2.800 2.569 1.835 3.739 0.939 11 1 "[ . 1+ . 2 .]" 1
1009 1 99 GLN H 1 99 GLN HA 2.800 . 2.800 2.897 2.778 2.964 0.164 7 0 "[ . 1 . 2 .]" 1
1010 1 99 GLN H 1 99 GLN QB 2.800 . 2.800 2.193 1.950 3.120 0.320 11 0 "[ . 1 . 2 .]" 1
1011 1 99 GLN H 1 99 GLN QG 3.500 . 3.500 3.052 1.856 3.786 0.286 2 0 "[ . 1 . 2 .]" 1
1012 1 99 GLN H 1 100 ASN H 2.800 . 2.800 2.589 1.929 2.980 0.180 11 0 "[ . 1 . 2 .]" 1
1013 1 100 ASN QB 1 101 ARG H 5.000 . 5.000 3.086 1.829 4.007 . 0 0 "[ . 1 . 2 .]" 1
1014 1 100 ASN H 1 100 ASN HA 2.800 . 2.800 2.716 2.354 2.977 0.177 15 0 "[ . 1 . 2 .]" 1
1015 1 100 ASN H 1 100 ASN QB 2.800 . 2.800 2.671 1.948 2.917 0.117 13 0 "[ . 1 . 2 .]" 1
1016 1 100 ASN H 1 101 ARG H 2.800 . 2.800 2.519 1.765 2.878 0.078 2 0 "[ . 1 . 2 .]" 1
1017 1 101 ARG HA 1 101 ARG QD 5.000 . 5.000 3.509 1.834 4.561 . 0 0 "[ . 1 . 2 .]" 1
1018 1 101 ARG HA 1 102 SER H 3.500 . 3.500 2.682 2.192 3.570 0.070 6 0 "[ . 1 . 2 .]" 1
1019 1 101 ARG QB 1 102 SER H 5.000 . 5.000 3.297 1.842 4.073 . 0 0 "[ . 1 . 2 .]" 1
1020 1 101 ARG H 1 101 ARG QB 2.800 . 2.800 2.423 1.928 2.838 0.038 1 0 "[ . 1 . 2 .]" 1
1021 1 101 ARG H 1 101 ARG QG 3.500 . 3.500 2.869 1.879 3.759 0.259 5 0 "[ . 1 . 2 .]" 1
1022 1 102 SER HA 1 103 GLY H 5.000 . 5.000 2.924 2.219 3.592 . 0 0 "[ . 1 . 2 .]" 1
1023 1 102 SER H 1 102 SER QB 3.500 . 3.500 2.597 1.935 3.424 . 0 0 "[ . 1 . 2 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 68
_Distance_constraint_stats_list.Viol_count 769
_Distance_constraint_stats_list.Viol_total 1589.052
_Distance_constraint_stats_list.Viol_max 0.310
_Distance_constraint_stats_list.Viol_rms 0.0597
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0374
_Distance_constraint_stats_list.Viol_average_violations_only 0.0827
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 LEU 0.990 0.144 7 0 "[ . 1 . 2 .]"
1 10 CYS 1.960 0.125 15 0 "[ . 1 . 2 .]"
1 11 ALA 0.384 0.082 14 0 "[ . 1 . 2 .]"
1 13 PHE 4.412 0.194 16 0 "[ . 1 . 2 .]"
1 14 ASN 3.239 0.149 6 0 "[ . 1 . 2 .]"
1 15 VAL 1.635 0.120 13 0 "[ . 1 . 2 .]"
1 17 CYS 3.423 0.194 16 0 "[ . 1 . 2 .]"
1 18 ASP 1.279 0.149 6 0 "[ . 1 . 2 .]"
1 19 ASN 1.251 0.120 13 0 "[ . 1 . 2 .]"
1 25 ARG 2.440 0.168 17 0 "[ . 1 . 2 .]"
1 26 ARG 0.245 0.102 7 0 "[ . 1 . 2 .]"
1 27 LEU 1.749 0.141 16 0 "[ . 1 . 2 .]"
1 28 ALA 4.981 0.310 21 0 "[ . 1 . 2 .]"
1 29 ARG 9.419 0.284 9 0 "[ . 1 . 2 .]"
1 30 GLN 0.245 0.102 7 0 "[ . 1 . 2 .]"
1 31 LEU 1.749 0.141 16 0 "[ . 1 . 2 .]"
1 32 LYS 4.981 0.310 21 0 "[ . 1 . 2 .]"
1 33 VAL 6.979 0.284 9 0 "[ . 1 . 2 .]"
1 35 ASP 0.178 0.042 21 0 "[ . 1 . 2 .]"
1 38 ILE 0.097 0.050 19 0 "[ . 1 . 2 .]"
1 39 ASP 1.441 0.117 20 0 "[ . 1 . 2 .]"
1 40 SER 0.167 0.079 20 0 "[ . 1 . 2 .]"
1 41 ILE 0.363 0.091 16 0 "[ . 1 . 2 .]"
1 42 GLU 0.097 0.050 19 0 "[ . 1 . 2 .]"
1 43 ASP 1.263 0.117 20 0 "[ . 1 . 2 .]"
1 44 ARG 0.167 0.079 20 0 "[ . 1 . 2 .]"
1 45 TYR 0.363 0.091 16 0 "[ . 1 . 2 .]"
1 48 ASN 0.772 0.128 15 0 "[ . 1 . 2 .]"
1 49 LEU 0.308 0.080 12 0 "[ . 1 . 2 .]"
1 51 GLU 0.515 0.105 24 0 "[ . 1 . 2 .]"
1 52 ARG 2.820 0.206 22 0 "[ . 1 . 2 .]"
1 53 VAL 2.177 0.187 17 0 "[ . 1 . 2 .]"
1 55 GLU 0.515 0.105 24 0 "[ . 1 . 2 .]"
1 56 SER 8.973 0.217 19 0 "[ . 1 . 2 .]"
1 57 LEU 4.758 0.187 17 0 "[ . 1 . 2 .]"
1 60 TRP 6.925 0.217 19 0 "[ . 1 . 2 .]"
1 61 LYS 2.890 0.178 18 0 "[ . 1 . 2 .]"
1 69 THR 1.066 0.148 20 0 "[ . 1 . 2 .]"
1 70 VAL 0.677 0.103 11 0 "[ . 1 . 2 .]"
1 71 ALA 0.246 0.077 7 0 "[ . 1 . 2 .]"
1 72 HIS 1.019 0.136 7 0 "[ . 1 . 2 .]"
1 73 LEU 1.385 0.148 20 0 "[ . 1 . 2 .]"
1 74 VAL 1.288 0.172 20 0 "[ . 1 . 2 .]"
1 75 GLY 0.246 0.077 7 0 "[ . 1 . 2 .]"
1 76 ALA 1.019 0.136 7 0 "[ . 1 . 2 .]"
1 77 LEU 0.320 0.111 2 0 "[ . 1 . 2 .]"
1 78 ARG 0.612 0.172 20 0 "[ . 1 . 2 .]"
1 82 MET 0.599 0.116 24 0 "[ . 1 . 2 .]"
1 84 LEU 3.975 0.186 3 0 "[ . 1 . 2 .]"
1 86 ALA 0.599 0.116 24 0 "[ . 1 . 2 .]"
1 87 ASP 1.510 0.164 13 0 "[ . 1 . 2 .]"
1 88 LEU 13.918 0.250 6 0 "[ . 1 . 2 .]"
1 90 GLN 0.524 0.089 4 0 "[ . 1 . 2 .]"
1 91 GLU 1.510 0.164 13 0 "[ . 1 . 2 .]"
1 92 VAL 9.942 0.250 6 0 "[ . 1 . 2 .]"
1 94 GLN 0.524 0.089 4 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 LEU O 1 13 PHE H 2.000 . 2.400 1.999 1.656 2.356 0.144 7 0 "[ . 1 . 2 .]" 2
2 1 9 LEU O 1 13 PHE N 2.800 2.600 3.200 2.918 2.476 3.298 0.124 7 0 "[ . 1 . 2 .]" 2
3 1 10 CYS O 1 14 ASN H 2.000 . 2.400 1.740 1.675 2.042 0.125 15 0 "[ . 1 . 2 .]" 2
4 1 10 CYS O 1 14 ASN N 2.800 2.600 3.200 2.635 2.540 2.897 0.060 18 0 "[ . 1 . 2 .]" 2
5 1 11 ALA O 1 15 VAL H 2.000 . 2.400 2.181 1.718 2.446 0.082 14 0 "[ . 1 . 2 .]" 2
6 1 11 ALA O 1 15 VAL N 2.800 2.600 3.200 2.946 2.585 3.204 0.015 21 0 "[ . 1 . 2 .]" 2
7 1 13 PHE O 1 17 CYS H 2.000 . 2.400 2.434 2.373 2.509 0.109 16 0 "[ . 1 . 2 .]" 2
8 1 13 PHE O 1 17 CYS N 2.800 2.600 3.200 3.299 3.222 3.394 0.194 16 0 "[ . 1 . 2 .]" 2
9 1 14 ASN O 1 18 ASP H 2.000 . 2.400 1.996 1.809 2.294 . 0 0 "[ . 1 . 2 .]" 2
10 1 14 ASN O 1 18 ASP N 2.800 2.600 3.200 2.613 2.451 2.884 0.149 6 0 "[ . 1 . 2 .]" 2
11 1 15 VAL O 1 19 ASN H 2.000 . 2.400 2.352 2.098 2.520 0.120 13 0 "[ . 1 . 2 .]" 2
12 1 15 VAL O 1 19 ASN N 2.800 2.600 3.200 3.207 3.026 3.310 0.110 4 0 "[ . 1 . 2 .]" 2
13 1 25 ARG O 1 29 ARG H 2.000 . 2.400 2.354 2.171 2.443 0.043 13 0 "[ . 1 . 2 .]" 2
14 1 25 ARG O 1 29 ARG N 2.800 2.600 3.200 3.289 3.100 3.368 0.168 17 0 "[ . 1 . 2 .]" 2
15 1 26 ARG O 1 30 GLN H 2.000 . 2.400 2.087 1.740 2.338 0.060 25 0 "[ . 1 . 2 .]" 2
16 1 26 ARG O 1 30 GLN N 2.800 2.600 3.200 3.044 2.695 3.302 0.102 7 0 "[ . 1 . 2 .]" 2
17 1 27 LEU O 1 31 LEU H 2.000 . 2.400 1.781 1.659 2.076 0.141 16 0 "[ . 1 . 2 .]" 2
18 1 27 LEU O 1 31 LEU N 2.800 2.600 3.200 2.677 2.492 2.921 0.108 12 0 "[ . 1 . 2 .]" 2
19 1 28 ALA O 1 32 LYS H 2.000 . 2.400 2.588 2.486 2.710 0.310 21 0 "[ . 1 . 2 .]" 2
20 1 28 ALA O 1 32 LYS N 2.800 2.600 3.200 3.167 3.066 3.289 0.089 6 0 "[ . 1 . 2 .]" 2
21 1 29 ARG O 1 33 VAL H 2.000 . 2.400 2.539 2.459 2.684 0.284 9 0 "[ . 1 . 2 .]" 2
22 1 29 ARG O 1 33 VAL N 2.800 2.600 3.200 3.340 3.247 3.454 0.254 9 0 "[ . 1 . 2 .]" 2
23 1 35 ASP O 1 39 ASP H 2.000 . 2.400 2.219 2.063 2.419 0.019 5 0 "[ . 1 . 2 .]" 2
24 1 35 ASP O 1 39 ASP N 2.800 2.600 3.200 3.104 2.967 3.242 0.042 21 0 "[ . 1 . 2 .]" 2
25 1 38 ILE O 1 42 GLU H 2.000 . 2.400 2.064 1.832 2.388 . 0 0 "[ . 1 . 2 .]" 2
26 1 38 ILE O 1 42 GLU N 2.800 2.600 3.200 2.972 2.729 3.250 0.050 19 0 "[ . 1 . 2 .]" 2
27 1 39 ASP O 1 43 ASP H 2.000 . 2.400 2.375 2.286 2.461 0.061 25 0 "[ . 1 . 2 .]" 2
28 1 39 ASP O 1 43 ASP N 2.800 2.600 3.200 3.221 2.966 3.317 0.117 20 0 "[ . 1 . 2 .]" 2
29 1 40 SER O 1 44 ARG H 2.000 . 2.400 2.163 1.809 2.425 0.025 20 0 "[ . 1 . 2 .]" 2
30 1 40 SER O 1 44 ARG N 2.800 2.600 3.200 2.975 2.637 3.279 0.079 20 0 "[ . 1 . 2 .]" 2
31 1 41 ILE O 1 45 TYR H 2.000 . 2.400 2.042 1.718 2.491 0.091 16 0 "[ . 1 . 2 .]" 2
32 1 41 ILE O 1 45 TYR N 2.800 2.600 3.200 2.889 2.574 3.213 0.026 17 0 "[ . 1 . 2 .]" 2
33 1 48 ASN O 1 52 ARG H 2.000 . 2.400 2.249 1.955 2.441 0.041 15 0 "[ . 1 . 2 .]" 2
34 1 48 ASN O 1 52 ARG N 2.800 2.600 3.200 3.177 2.900 3.328 0.128 15 0 "[ . 1 . 2 .]" 2
35 1 49 LEU O 1 53 VAL H 2.000 . 2.400 2.158 1.780 2.447 0.047 22 0 "[ . 1 . 2 .]" 2
36 1 49 LEU O 1 53 VAL N 2.800 2.600 3.200 3.050 2.740 3.280 0.080 12 0 "[ . 1 . 2 .]" 2
37 1 51 GLU O 1 55 GLU H 2.000 . 2.400 2.290 1.889 2.488 0.088 18 0 "[ . 1 . 2 .]" 2
38 1 51 GLU O 1 55 GLU N 2.800 2.600 3.200 3.117 2.599 3.305 0.105 24 0 "[ . 1 . 2 .]" 2
39 1 52 ARG O 1 56 SER H 2.000 . 2.400 2.357 2.153 2.461 0.061 9 0 "[ . 1 . 2 .]" 2
40 1 52 ARG O 1 56 SER N 2.800 2.600 3.200 3.263 3.098 3.406 0.206 22 0 "[ . 1 . 2 .]" 2
41 1 53 VAL O 1 57 LEU H 2.000 . 2.400 2.371 2.164 2.464 0.064 12 0 "[ . 1 . 2 .]" 2
42 1 53 VAL O 1 57 LEU N 2.800 2.600 3.200 3.242 3.007 3.387 0.187 17 0 "[ . 1 . 2 .]" 2
43 1 56 SER O 1 60 TRP H 2.000 . 2.400 1.640 1.583 1.686 0.217 19 0 "[ . 1 . 2 .]" 2
44 1 56 SER O 1 60 TRP N 2.800 2.600 3.200 2.483 2.388 2.529 0.212 18 0 "[ . 1 . 2 .]" 2
45 1 57 LEU O 1 61 LYS H 2.000 . 2.400 2.372 2.290 2.428 0.028 25 0 "[ . 1 . 2 .]" 2
46 1 57 LEU O 1 61 LYS N 2.800 2.600 3.200 3.311 3.233 3.378 0.178 18 0 "[ . 1 . 2 .]" 2
47 1 69 THR O 1 73 LEU H 2.000 . 2.400 2.231 1.860 2.516 0.116 20 0 "[ . 1 . 2 .]" 2
48 1 69 THR O 1 73 LEU N 2.800 2.600 3.200 3.103 2.794 3.348 0.148 20 0 "[ . 1 . 2 .]" 2
49 1 70 VAL O 1 74 VAL H 2.000 . 2.400 2.241 1.824 2.408 0.008 20 0 "[ . 1 . 2 .]" 2
50 1 70 VAL O 1 74 VAL N 2.800 2.600 3.200 3.170 2.807 3.303 0.103 11 0 "[ . 1 . 2 .]" 2
51 1 71 ALA O 1 75 GLY H 2.000 . 2.400 1.927 1.723 2.185 0.077 7 0 "[ . 1 . 2 .]" 2
52 1 71 ALA O 1 75 GLY N 2.800 2.600 3.200 2.827 2.581 3.123 0.019 7 0 "[ . 1 . 2 .]" 2
53 1 72 HIS O 1 76 ALA H 2.000 . 2.400 1.953 1.763 2.426 0.037 9 0 "[ . 1 . 2 .]" 2
54 1 72 HIS O 1 76 ALA N 2.800 2.600 3.200 2.685 2.464 3.233 0.136 7 0 "[ . 1 . 2 .]" 2
55 1 73 LEU O 1 77 LEU H 2.000 . 2.400 1.969 1.689 2.411 0.111 2 0 "[ . 1 . 2 .]" 2
56 1 73 LEU O 1 77 LEU N 2.800 2.600 3.200 2.886 2.618 3.279 0.079 6 0 "[ . 1 . 2 .]" 2
57 1 74 VAL O 1 78 ARG H 2.000 . 2.400 2.184 1.841 2.433 0.033 2 0 "[ . 1 . 2 .]" 2
58 1 74 VAL O 1 78 ARG N 2.800 2.600 3.200 3.093 2.706 3.372 0.172 20 0 "[ . 1 . 2 .]" 2
59 1 82 MET O 1 86 ALA H 2.000 . 2.400 2.025 1.684 2.382 0.116 24 0 "[ . 1 . 2 .]" 2
60 1 82 MET O 1 86 ALA N 2.800 2.600 3.200 2.953 2.608 3.287 0.087 25 0 "[ . 1 . 2 .]" 2
61 1 84 LEU O 1 88 LEU H 2.000 . 2.400 2.435 2.225 2.524 0.124 14 0 "[ . 1 . 2 .]" 2
62 1 84 LEU O 1 88 LEU N 2.800 2.600 3.200 3.310 3.087 3.386 0.186 3 0 "[ . 1 . 2 .]" 2
63 1 87 ASP O 1 91 GLU H 2.000 . 2.400 2.368 2.147 2.483 0.083 13 0 "[ . 1 . 2 .]" 2
64 1 87 ASP O 1 91 GLU N 2.800 2.600 3.200 3.202 3.012 3.364 0.164 13 0 "[ . 1 . 2 .]" 2
65 1 88 LEU O 1 92 VAL H 2.000 . 2.400 2.586 2.492 2.640 0.240 22 0 "[ . 1 . 2 .]" 2
66 1 88 LEU O 1 92 VAL N 2.800 2.600 3.200 3.412 3.273 3.450 0.250 6 0 "[ . 1 . 2 .]" 2
67 1 90 GLN O 1 94 GLN H 2.000 . 2.400 2.243 1.711 2.453 0.089 4 0 "[ . 1 . 2 .]" 2
68 1 90 GLN O 1 94 GLN N 2.800 2.600 3.200 3.041 2.579 3.268 0.068 5 0 "[ . 1 . 2 .]" 2
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