NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
614582 |
1r21   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1r21
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 1543
_Distance_constraint_stats_list.Viol_count 2343
_Distance_constraint_stats_list.Viol_total 6105.931
_Distance_constraint_stats_list.Viol_max 0.491
_Distance_constraint_stats_list.Viol_rms 0.0361
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0075
_Distance_constraint_stats_list.Viol_average_violations_only 0.1133
_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 12 THR 1.442 0.271 5 0 "[ . 1 . 2 ]"
1 13 ARG 1.442 0.271 5 0 "[ . 1 . 2 ]"
1 14 ARG 4.977 0.213 17 0 "[ . 1 . 2 ]"
1 15 LEU 12.000 0.322 1 0 "[ . 1 . 2 ]"
1 16 VAL 6.363 0.261 6 0 "[ . 1 . 2 ]"
1 17 THR 0.554 0.088 8 0 "[ . 1 . 2 ]"
1 18 ILE 14.087 0.491 22 0 "[ . 1 . 2 ]"
1 19 LYS 1.178 0.229 22 0 "[ . 1 . 2 ]"
1 21 SER 0.026 0.026 3 0 "[ . 1 . 2 ]"
1 22 GLY 2.104 0.267 12 0 "[ . 1 . 2 ]"
1 23 VAL 4.973 0.267 12 0 "[ . 1 . 2 ]"
1 24 ASP 2.566 0.344 22 0 "[ . 1 . 2 ]"
1 25 GLY 3.594 0.231 21 0 "[ . 1 . 2 ]"
1 26 PRO 0.054 0.054 2 0 "[ . 1 . 2 ]"
1 27 HIS 4.331 0.311 23 0 "[ . 1 . 2 ]"
1 28 PHE 9.447 0.268 4 0 "[ . 1 . 2 ]"
1 29 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 30 LEU 1.098 0.117 4 0 "[ . 1 . 2 ]"
1 31 SER 0.120 0.120 4 0 "[ . 1 . 2 ]"
1 32 LEU 0.120 0.120 4 0 "[ . 1 . 2 ]"
1 33 SER 0.792 0.135 14 0 "[ . 1 . 2 ]"
1 34 THR 1.123 0.139 14 0 "[ . 1 . 2 ]"
1 35 CYS 8.330 0.377 15 0 "[ . 1 . 2 ]"
1 36 LEU 4.579 0.198 13 0 "[ . 1 . 2 ]"
1 37 PHE 12.870 0.319 17 0 "[ . 1 . 2 ]"
1 38 GLY 7.303 0.248 15 0 "[ . 1 . 2 ]"
1 39 ARG 3.139 0.260 4 0 "[ . 1 . 2 ]"
1 40 GLY 1.124 0.110 11 0 "[ . 1 . 2 ]"
1 41 ILE 0.265 0.102 13 0 "[ . 1 . 2 ]"
1 42 GLU 1.219 0.214 23 0 "[ . 1 . 2 ]"
1 43 CYS 5.892 0.231 23 0 "[ . 1 . 2 ]"
1 44 ASP 5.729 0.299 6 0 "[ . 1 . 2 ]"
1 45 ILE 19.257 0.370 10 0 "[ . 1 . 2 ]"
1 46 ARG 2.116 0.231 17 0 "[ . 1 . 2 ]"
1 47 ILE 3.697 0.248 15 0 "[ . 1 . 2 ]"
1 48 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 49 LEU 0.294 0.133 7 0 "[ . 1 . 2 ]"
1 50 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 51 VAL 0.383 0.069 17 0 "[ . 1 . 2 ]"
1 52 VAL 9.733 0.274 14 0 "[ . 1 . 2 ]"
1 53 SER 7.630 0.394 16 0 "[ . 1 . 2 ]"
1 54 LYS 0.304 0.121 8 0 "[ . 1 . 2 ]"
1 55 GLN 0.826 0.214 23 0 "[ . 1 . 2 ]"
1 56 HIS 20.382 0.318 12 0 "[ . 1 . 2 ]"
1 57 CYS 9.718 0.316 18 0 "[ . 1 . 2 ]"
1 58 LYS 28.414 0.417 16 0 "[ . 1 . 2 ]"
1 59 ILE 3.810 0.283 16 0 "[ . 1 . 2 ]"
1 60 GLU 1.730 0.195 14 0 "[ . 1 . 2 ]"
1 61 ILE 12.892 0.428 13 0 "[ . 1 . 2 ]"
1 62 HIS 3.387 0.292 4 0 "[ . 1 . 2 ]"
1 63 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 64 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 65 GLU 1.408 0.239 23 0 "[ . 1 . 2 ]"
1 66 ALA 2.126 0.185 13 0 "[ . 1 . 2 ]"
1 67 ILE 12.294 0.352 22 0 "[ . 1 . 2 ]"
1 68 LEU 6.918 0.308 20 0 "[ . 1 . 2 ]"
1 69 HIS 9.904 0.242 14 0 "[ . 1 . 2 ]"
1 70 ASN 15.379 0.417 16 0 "[ . 1 . 2 ]"
1 71 PHE 11.458 0.316 18 0 "[ . 1 . 2 ]"
1 72 SER 1.666 0.138 11 0 "[ . 1 . 2 ]"
1 75 ASN 4.449 0.262 7 0 "[ . 1 . 2 ]"
1 76 PRO 6.045 0.264 9 0 "[ . 1 . 2 ]"
1 77 THR 14.455 0.318 12 0 "[ . 1 . 2 ]"
1 78 GLN 8.922 0.436 9 0 "[ . 1 . 2 ]"
1 79 VAL 8.512 0.360 17 0 "[ . 1 . 2 ]"
1 80 ASN 1.045 0.118 10 0 "[ . 1 . 2 ]"
1 81 GLY 3.322 0.297 6 0 "[ . 1 . 2 ]"
1 82 SER 1.490 0.192 23 0 "[ . 1 . 2 ]"
1 83 VAL 12.892 0.400 5 0 "[ . 1 . 2 ]"
1 84 ILE 13.814 0.436 9 0 "[ . 1 . 2 ]"
1 85 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 86 GLU 0.716 0.103 7 0 "[ . 1 . 2 ]"
1 87 PRO 0.716 0.103 7 0 "[ . 1 . 2 ]"
1 88 VAL 1.211 0.187 20 0 "[ . 1 . 2 ]"
1 89 ARG 3.958 0.280 2 0 "[ . 1 . 2 ]"
1 90 LEU 5.203 0.374 23 0 "[ . 1 . 2 ]"
1 91 LYS 0.673 0.180 15 0 "[ . 1 . 2 ]"
1 92 HIS 10.061 0.249 5 0 "[ . 1 . 2 ]"
1 93 GLY 2.486 0.193 21 0 "[ . 1 . 2 ]"
1 94 ASP 1.975 0.118 10 0 "[ . 1 . 2 ]"
1 95 VAL 1.041 0.128 8 0 "[ . 1 . 2 ]"
1 96 ILE 9.192 0.393 18 0 "[ . 1 . 2 ]"
1 97 THR 13.219 0.393 18 0 "[ . 1 . 2 ]"
1 98 ILE 23.841 0.394 16 0 "[ . 1 . 2 ]"
1 99 ILE 4.964 0.304 20 0 "[ . 1 . 2 ]"
1 100 ASP 0.024 0.024 10 0 "[ . 1 . 2 ]"
1 101 ARG 1.435 0.207 23 0 "[ . 1 . 2 ]"
1 102 SER 3.044 0.363 7 0 "[ . 1 . 2 ]"
1 103 PHE 8.410 0.239 5 0 "[ . 1 . 2 ]"
1 104 ARG 11.827 0.491 22 0 "[ . 1 . 2 ]"
1 105 TYR 17.830 0.374 23 0 "[ . 1 . 2 ]"
1 106 GLU 12.680 0.322 1 0 "[ . 1 . 2 ]"
1 107 ASN 3.492 0.193 21 0 "[ . 1 . 2 ]"
1 108 GLU 0.923 0.157 8 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 13 ARG HD3 1 61 ILE MD 4.000 . 5.500 3.681 2.166 5.450 . 0 0 "[ . 1 . 2 ]" 1
2 1 13 ARG HD2 1 61 ILE MD 4.000 . 5.500 3.244 2.205 4.522 . 0 0 "[ . 1 . 2 ]" 1
3 1 13 ARG HD3 1 66 ALA MB 5.000 . 6.500 4.370 3.313 6.146 . 0 0 "[ . 1 . 2 ]" 1
4 1 13 ARG HD2 1 66 ALA MB 5.000 . 6.500 4.467 2.815 5.462 . 0 0 "[ . 1 . 2 ]" 1
5 1 13 ARG HD3 1 105 TYR QE 4.000 . 5.500 3.512 2.388 5.102 . 0 0 "[ . 1 . 2 ]" 1
6 1 13 ARG HD2 1 105 TYR QE 4.000 . 5.500 3.848 2.346 5.410 . 0 0 "[ . 1 . 2 ]" 1
7 1 13 ARG HA 1 106 GLU H 5.000 . 6.000 5.384 4.904 5.640 . 0 0 "[ . 1 . 2 ]" 1
8 1 13 ARG HA 1 107 ASN HA 3.000 . 3.700 2.621 2.280 3.042 . 0 0 "[ . 1 . 2 ]" 1
9 1 14 ARG HA 1 28 PHE H 4.000 . 5.000 5.032 4.669 5.200 0.200 10 0 "[ . 1 . 2 ]" 1
10 1 14 ARG HA 1 29 PRO HA 3.000 . 3.500 3.114 2.372 3.469 . 0 0 "[ . 1 . 2 ]" 1
11 1 14 ARG H 1 30 LEU H 5.000 . 6.000 5.762 4.702 6.050 0.050 12 0 "[ . 1 . 2 ]" 1
12 1 14 ARG HA 1 30 LEU H 3.000 . 3.700 3.403 2.372 3.784 0.084 1 0 "[ . 1 . 2 ]" 1
13 1 14 ARG HA 1 30 LEU QD 4.000 . 5.500 3.235 2.190 4.287 . 0 0 "[ . 1 . 2 ]" 1
14 1 14 ARG H 1 105 TYR QD 5.000 . 6.500 4.470 4.172 5.035 . 0 0 "[ . 1 . 2 ]" 1
15 1 14 ARG H 1 105 TYR QE 5.000 . 6.500 4.713 4.012 5.467 . 0 0 "[ . 1 . 2 ]" 1
16 1 14 ARG H 1 106 GLU H 3.000 . 3.700 3.807 3.689 3.913 0.213 17 0 "[ . 1 . 2 ]" 1
17 1 14 ARG H 1 107 ASN HA 3.000 . 3.700 3.634 3.106 3.871 0.171 17 0 "[ . 1 . 2 ]" 1
18 1 15 LEU H 1 28 PHE H 3.000 . 3.700 3.291 2.973 3.551 . 0 0 "[ . 1 . 2 ]" 1
19 1 15 LEU H 1 28 PHE HB3 4.000 . 5.000 3.595 3.372 4.018 . 0 0 "[ . 1 . 2 ]" 1
20 1 15 LEU H 1 28 PHE HB2 4.000 . 5.000 5.093 5.000 5.174 0.174 10 0 "[ . 1 . 2 ]" 1
21 1 15 LEU H 1 28 PHE QD 4.000 . 5.500 4.028 3.145 5.065 . 0 0 "[ . 1 . 2 ]" 1
22 1 15 LEU QB 1 28 PHE H 4.000 . 5.000 3.589 2.950 4.057 . 0 0 "[ . 1 . 2 ]" 1
23 1 15 LEU HB3 1 28 PHE HB3 4.000 . 5.000 3.035 2.101 3.605 . 0 0 "[ . 1 . 2 ]" 1
24 1 15 LEU HB3 1 28 PHE HB2 4.000 . 5.000 4.431 3.392 5.027 0.027 2 0 "[ . 1 . 2 ]" 1
25 1 15 LEU HB2 1 28 PHE HB3 4.000 . 5.000 2.654 2.151 3.656 . 0 0 "[ . 1 . 2 ]" 1
26 1 15 LEU HB2 1 28 PHE HB2 4.000 . 5.000 4.316 3.848 5.268 0.268 4 0 "[ . 1 . 2 ]" 1
27 1 15 LEU HB3 1 28 PHE QD 3.000 . 4.000 3.901 3.445 4.182 0.182 17 0 "[ . 1 . 2 ]" 1
28 1 15 LEU HB2 1 28 PHE QD 3.000 . 4.000 3.024 2.325 4.177 0.177 14 0 "[ . 1 . 2 ]" 1
29 1 15 LEU QD 1 28 PHE HB3 4.000 . 5.500 3.385 2.661 4.087 . 0 0 "[ . 1 . 2 ]" 1
30 1 15 LEU QD 1 28 PHE HB2 4.000 . 5.500 4.418 3.407 5.228 . 0 0 "[ . 1 . 2 ]" 1
31 1 15 LEU QD 1 28 PHE QD 3.000 . 5.500 2.862 2.225 3.937 . 0 0 "[ . 1 . 2 ]" 1
32 1 15 LEU H 1 30 LEU H 4.000 . 5.000 4.551 3.868 4.824 . 0 0 "[ . 1 . 2 ]" 1
33 1 15 LEU H 1 30 LEU QD 4.000 . 5.500 3.582 2.613 4.752 . 0 0 "[ . 1 . 2 ]" 1
34 1 15 LEU MD1 1 37 PHE QE 3.000 . 4.500 3.795 3.361 4.443 . 0 0 "[ . 1 . 2 ]" 1
35 1 15 LEU MD2 1 37 PHE QE 3.000 . 4.500 4.066 2.711 4.691 0.191 12 0 "[ . 1 . 2 ]" 1
36 1 15 LEU MD1 1 37 PHE HZ 3.000 . 4.000 3.024 2.298 3.576 . 0 0 "[ . 1 . 2 ]" 1
37 1 15 LEU MD2 1 37 PHE HZ 3.000 . 4.000 3.317 2.117 4.067 0.067 21 0 "[ . 1 . 2 ]" 1
38 1 15 LEU HA 1 45 ILE MD 6.000 . 7.500 5.480 4.722 5.919 . 0 0 "[ . 1 . 2 ]" 1
39 1 15 LEU HB3 1 45 ILE MD 4.000 . 5.500 3.433 2.695 3.868 . 0 0 "[ . 1 . 2 ]" 1
40 1 15 LEU HB2 1 45 ILE MD 4.000 . 5.500 3.443 2.600 4.326 . 0 0 "[ . 1 . 2 ]" 1
41 1 15 LEU HG 1 45 ILE MD 4.000 . 5.500 4.188 2.522 4.599 . 0 0 "[ . 1 . 2 ]" 1
42 1 15 LEU MD1 1 45 ILE HG13 5.000 . 6.500 3.951 2.957 5.571 . 0 0 "[ . 1 . 2 ]" 1
43 1 15 LEU MD1 1 45 ILE HG12 5.000 . 6.500 4.690 3.601 6.546 0.046 4 0 "[ . 1 . 2 ]" 1
44 1 15 LEU MD2 1 45 ILE HG13 5.000 . 6.500 4.694 3.005 6.110 . 0 0 "[ . 1 . 2 ]" 1
45 1 15 LEU MD2 1 45 ILE HG12 5.000 . 6.500 5.564 3.910 6.523 0.023 17 0 "[ . 1 . 2 ]" 1
46 1 15 LEU MD1 1 45 ILE MG 4.000 . 6.000 4.149 3.485 5.520 . 0 0 "[ . 1 . 2 ]" 1
47 1 15 LEU MD2 1 45 ILE MG 4.000 . 6.000 4.520 2.877 5.462 . 0 0 "[ . 1 . 2 ]" 1
48 1 15 LEU MD1 1 45 ILE MD 3.000 . 4.500 2.760 1.948 4.476 . 0 0 "[ . 1 . 2 ]" 1
49 1 15 LEU MD2 1 45 ILE MD 3.000 . 4.500 3.426 1.803 4.442 . 0 0 "[ . 1 . 2 ]" 1
50 1 15 LEU HG 1 103 PHE QB 5.000 . 6.000 5.095 2.396 6.204 0.204 23 0 "[ . 1 . 2 ]" 1
51 1 15 LEU MD1 1 103 PHE QB 4.000 . 5.500 3.730 2.732 4.439 . 0 0 "[ . 1 . 2 ]" 1
52 1 15 LEU MD2 1 103 PHE QB 4.000 . 5.500 3.373 2.156 5.331 . 0 0 "[ . 1 . 2 ]" 1
53 1 15 LEU MD1 1 103 PHE QD 4.000 . 5.500 3.942 3.080 4.395 . 0 0 "[ . 1 . 2 ]" 1
54 1 15 LEU MD2 1 103 PHE QD 4.000 . 5.500 3.813 2.043 5.367 . 0 0 "[ . 1 . 2 ]" 1
55 1 15 LEU HA 1 104 ARG H 4.000 . 5.000 4.452 4.117 4.960 . 0 0 "[ . 1 . 2 ]" 1
56 1 15 LEU HA 1 105 TYR HA 3.000 . 3.500 3.013 2.599 3.369 . 0 0 "[ . 1 . 2 ]" 1
57 1 15 LEU HA 1 105 TYR QD 4.000 . 5.500 4.313 3.887 4.576 . 0 0 "[ . 1 . 2 ]" 1
58 1 15 LEU HA 1 105 TYR QE 5.000 . 6.500 6.357 5.871 6.611 0.111 2 0 "[ . 1 . 2 ]" 1
59 1 15 LEU QD 1 105 TYR HA 3.000 . 4.000 2.069 1.967 2.230 . 0 0 "[ . 1 . 2 ]" 1
60 1 15 LEU QD 1 105 TYR HB3 4.000 . 5.500 3.688 3.322 4.080 . 0 0 "[ . 1 . 2 ]" 1
61 1 15 LEU QD 1 105 TYR HB2 4.000 . 5.500 2.458 2.152 2.905 . 0 0 "[ . 1 . 2 ]" 1
62 1 15 LEU QD 1 105 TYR QE 3.000 . 4.500 4.325 3.934 4.764 0.264 22 0 "[ . 1 . 2 ]" 1
63 1 15 LEU HA 1 106 GLU H 3.000 . 3.700 3.353 3.082 3.546 . 0 0 "[ . 1 . 2 ]" 1
64 1 15 LEU QB 1 106 GLU H 4.000 . 5.000 5.131 4.773 5.322 0.322 1 0 "[ . 1 . 2 ]" 1
65 1 15 LEU QD 1 106 GLU H 3.000 . 4.200 3.262 2.832 3.562 . 0 0 "[ . 1 . 2 ]" 1
66 1 16 VAL QG 1 24 ASP HA 4.000 . 5.500 3.527 2.599 4.040 . 0 0 "[ . 1 . 2 ]" 1
67 1 16 VAL QG 1 24 ASP QB 3.000 . 4.000 3.415 2.445 4.061 0.061 19 0 "[ . 1 . 2 ]" 1
68 1 16 VAL QG 1 25 GLY H 4.000 . 5.500 3.270 2.710 4.738 . 0 0 "[ . 1 . 2 ]" 1
69 1 16 VAL HA 1 27 HIS HA 3.000 . 3.500 2.300 2.202 2.445 . 0 0 "[ . 1 . 2 ]" 1
70 1 16 VAL HA 1 27 HIS QB 4.000 . 5.000 3.569 3.318 3.748 . 0 0 "[ . 1 . 2 ]" 1
71 1 16 VAL QG 1 27 HIS HA 3.000 . 4.000 2.743 2.272 3.087 . 0 0 "[ . 1 . 2 ]" 1
72 1 16 VAL QG 1 27 HIS HD2 3.000 . 4.000 2.299 1.851 3.940 . 0 0 "[ . 1 . 2 ]" 1
73 1 16 VAL MG1 1 27 HIS HE1 4.000 . 5.500 4.790 2.846 5.567 0.067 4 0 "[ . 1 . 2 ]" 1
74 1 16 VAL MG2 1 27 HIS HE1 4.000 . 5.500 4.261 2.684 5.502 0.002 10 0 "[ . 1 . 2 ]" 1
75 1 16 VAL H 1 28 PHE QB 4.000 . 5.000 5.073 4.818 5.249 0.249 16 0 "[ . 1 . 2 ]" 1
76 1 16 VAL HA 1 28 PHE H 4.000 . 5.000 3.269 3.086 3.484 . 0 0 "[ . 1 . 2 ]" 1
77 1 16 VAL QG 1 28 PHE H 5.000 . 6.500 3.532 3.180 4.003 . 0 0 "[ . 1 . 2 ]" 1
78 1 16 VAL H 1 103 PHE HA 4.000 . 5.000 4.800 4.436 5.090 0.090 19 0 "[ . 1 . 2 ]" 1
79 1 16 VAL H 1 103 PHE QB 4.000 . 5.000 4.630 4.062 4.898 . 0 0 "[ . 1 . 2 ]" 1
80 1 16 VAL H 1 103 PHE QD 4.000 . 6.500 4.912 4.629 5.249 . 0 0 "[ . 1 . 2 ]" 1
81 1 16 VAL H 1 104 ARG H 3.000 . 3.700 2.884 2.595 3.163 . 0 0 "[ . 1 . 2 ]" 1
82 1 16 VAL HB 1 104 ARG H 3.000 . 3.700 3.812 3.672 3.945 0.245 19 0 "[ . 1 . 2 ]" 1
83 1 16 VAL MG1 1 104 ARG H 5.000 . 6.500 4.259 3.895 4.934 . 0 0 "[ . 1 . 2 ]" 1
84 1 16 VAL MG1 1 104 ARG HE 4.000 . 5.500 4.323 1.713 5.388 0.087 3 0 "[ . 1 . 2 ]" 1
85 1 16 VAL MG2 1 104 ARG H 5.000 . 6.500 4.873 4.374 5.135 . 0 0 "[ . 1 . 2 ]" 1
86 1 16 VAL MG2 1 104 ARG HE 4.000 . 5.500 5.047 2.909 5.761 0.261 6 0 "[ . 1 . 2 ]" 1
87 1 16 VAL QG 1 104 ARG QB 5.000 . 6.500 3.056 2.465 4.166 . 0 0 "[ . 1 . 2 ]" 1
88 1 16 VAL QG 1 104 ARG QG 5.000 . 6.500 3.668 2.760 4.015 . 0 0 "[ . 1 . 2 ]" 1
89 1 16 VAL H 1 105 TYR QD 6.000 . 7.500 5.878 5.307 6.200 . 0 0 "[ . 1 . 2 ]" 1
90 1 16 VAL H 1 106 GLU H 5.000 . 6.000 4.416 3.915 4.700 . 0 0 "[ . 1 . 2 ]" 1
91 1 16 VAL QG 1 106 GLU H 5.000 . 6.500 4.688 3.944 5.168 . 0 0 "[ . 1 . 2 ]" 1
92 1 16 VAL QG 1 106 GLU QG 5.000 . 6.500 4.271 3.551 5.467 . 0 0 "[ . 1 . 2 ]" 1
93 1 17 THR HB 1 25 GLY QA 4.000 . 5.000 4.462 3.627 5.039 0.039 17 0 "[ . 1 . 2 ]" 1
94 1 17 THR MG 1 25 GLY H 5.000 . 6.500 5.357 4.224 6.559 0.059 21 0 "[ . 1 . 2 ]" 1
95 1 17 THR MG 1 25 GLY QA 4.000 . 5.500 4.370 3.404 5.505 0.005 22 0 "[ . 1 . 2 ]" 1
96 1 17 THR H 1 26 PRO QD 4.000 . 5.000 4.589 4.121 5.054 0.054 2 0 "[ . 1 . 2 ]" 1
97 1 17 THR H 1 27 HIS HA 3.000 . 3.700 3.038 2.569 3.431 . 0 0 "[ . 1 . 2 ]" 1
98 1 17 THR H 1 27 HIS QB 4.000 . 5.000 4.899 4.551 5.088 0.088 8 0 "[ . 1 . 2 ]" 1
99 1 17 THR H 1 27 HIS HD2 4.000 . 5.000 3.989 3.321 5.088 0.088 17 0 "[ . 1 . 2 ]" 1
100 1 17 THR H 1 28 PHE H 5.000 . 6.000 4.636 4.309 5.029 . 0 0 "[ . 1 . 2 ]" 1
101 1 17 THR HA 1 45 ILE MD 6.000 . 7.500 6.360 5.931 6.886 . 0 0 "[ . 1 . 2 ]" 1
102 1 17 THR MG 1 45 ILE MG 5.000 . 7.000 4.400 3.887 5.684 . 0 0 "[ . 1 . 2 ]" 1
103 1 17 THR MG 1 45 ILE MD 5.000 . 7.000 5.525 4.937 6.494 . 0 0 "[ . 1 . 2 ]" 1
104 1 17 THR HA 1 103 PHE H 5.000 . 6.000 4.968 4.756 5.460 . 0 0 "[ . 1 . 2 ]" 1
105 1 17 THR HA 1 103 PHE HA 3.000 . 3.500 2.329 2.201 2.766 . 0 0 "[ . 1 . 2 ]" 1
106 1 17 THR HA 1 103 PHE QD 3.000 . 4.000 3.683 3.305 3.967 . 0 0 "[ . 1 . 2 ]" 1
107 1 17 THR HA 1 103 PHE QE 4.000 . 5.500 4.535 4.193 5.029 . 0 0 "[ . 1 . 2 ]" 1
108 1 17 THR HB 1 103 PHE QD 5.000 . 6.500 4.800 4.304 5.758 . 0 0 "[ . 1 . 2 ]" 1
109 1 17 THR MG 1 103 PHE QD 3.000 . 4.500 3.596 3.076 4.245 . 0 0 "[ . 1 . 2 ]" 1
110 1 17 THR MG 1 103 PHE QE 3.000 . 4.500 3.080 2.590 4.266 . 0 0 "[ . 1 . 2 ]" 1
111 1 17 THR HA 1 104 ARG H 4.000 . 5.000 3.375 3.050 3.811 . 0 0 "[ . 1 . 2 ]" 1
112 1 18 ILE MG 1 24 ASP HA 4.000 . 5.500 3.808 2.835 4.957 . 0 0 "[ . 1 . 2 ]" 1
113 1 18 ILE MD 1 24 ASP HA 4.000 . 5.500 4.931 2.288 5.844 0.344 22 0 "[ . 1 . 2 ]" 1
114 1 18 ILE H 1 102 SER H 4.000 . 5.000 4.243 3.832 4.643 . 0 0 "[ . 1 . 2 ]" 1
115 1 18 ILE H 1 102 SER HB3 4.000 . 5.000 4.408 3.354 5.168 0.168 8 0 "[ . 1 . 2 ]" 1
116 1 18 ILE H 1 102 SER HB2 4.000 . 5.000 3.880 3.301 5.110 0.110 22 0 "[ . 1 . 2 ]" 1
117 1 18 ILE HB 1 102 SER H 4.000 . 5.000 3.994 3.266 4.506 . 0 0 "[ . 1 . 2 ]" 1
118 1 18 ILE HB 1 102 SER HB3 4.000 . 5.000 3.498 2.227 4.197 . 0 0 "[ . 1 . 2 ]" 1
119 1 18 ILE HB 1 102 SER HB2 4.000 . 5.000 2.731 2.242 3.887 . 0 0 "[ . 1 . 2 ]" 1
120 1 18 ILE MG 1 102 SER HB3 4.000 . 5.500 4.531 3.556 5.216 . 0 0 "[ . 1 . 2 ]" 1
121 1 18 ILE MG 1 102 SER HB2 4.000 . 5.500 3.895 3.354 4.719 . 0 0 "[ . 1 . 2 ]" 1
122 1 18 ILE MD 1 102 SER HA 4.000 . 5.500 4.972 3.846 5.863 0.363 7 0 "[ . 1 . 2 ]" 1
123 1 18 ILE MD 1 102 SER HB3 4.000 . 5.500 3.215 2.171 5.054 . 0 0 "[ . 1 . 2 ]" 1
124 1 18 ILE MD 1 102 SER HB2 4.000 . 5.500 3.078 2.110 3.841 . 0 0 "[ . 1 . 2 ]" 1
125 1 18 ILE H 1 103 PHE H 5.000 . 6.000 4.924 4.580 5.263 . 0 0 "[ . 1 . 2 ]" 1
126 1 18 ILE H 1 103 PHE HA 3.000 . 3.700 3.260 3.024 3.680 . 0 0 "[ . 1 . 2 ]" 1
127 1 18 ILE H 1 103 PHE QB 5.000 . 6.000 5.267 5.052 5.602 . 0 0 "[ . 1 . 2 ]" 1
128 1 18 ILE HG13 1 103 PHE HA 5.000 . 6.000 4.349 4.047 5.614 . 0 0 "[ . 1 . 2 ]" 1
129 1 18 ILE HG12 1 103 PHE HA 5.000 . 6.000 5.893 4.026 6.111 0.111 15 0 "[ . 1 . 2 ]" 1
130 1 18 ILE MG 1 103 PHE HA 5.000 . 6.500 6.166 5.960 6.404 . 0 0 "[ . 1 . 2 ]" 1
131 1 18 ILE MG 1 103 PHE QD 5.000 . 7.000 7.122 7.007 7.239 0.239 5 0 "[ . 1 . 2 ]" 1
132 1 18 ILE MD 1 103 PHE H 5.000 . 6.500 4.749 3.171 5.932 . 0 0 "[ . 1 . 2 ]" 1
133 1 18 ILE MD 1 103 PHE QD 5.000 . 7.000 6.084 4.558 6.409 . 0 0 "[ . 1 . 2 ]" 1
134 1 18 ILE H 1 104 ARG H 4.000 . 5.000 4.375 4.091 4.966 . 0 0 "[ . 1 . 2 ]" 1
135 1 18 ILE H 1 104 ARG QD 3.000 . 3.700 3.997 3.874 4.191 0.491 22 0 "[ . 1 . 2 ]" 1
136 1 18 ILE HG13 1 104 ARG H 5.000 . 6.000 4.541 4.084 6.154 0.154 7 0 "[ . 1 . 2 ]" 1
137 1 18 ILE HG12 1 104 ARG H 5.000 . 6.000 5.948 4.720 6.144 0.144 11 0 "[ . 1 . 2 ]" 1
138 1 18 ILE MD 1 104 ARG H 4.000 . 5.500 4.748 3.114 5.178 . 0 0 "[ . 1 . 2 ]" 1
139 1 18 ILE MD 1 104 ARG HA 4.000 . 5.500 4.726 3.467 5.623 0.123 7 0 "[ . 1 . 2 ]" 1
140 1 19 LYS H 1 24 ASP HA 4.000 . 5.000 4.135 2.502 5.116 0.116 17 0 "[ . 1 . 2 ]" 1
141 1 19 LYS H 1 25 GLY H 4.000 . 5.000 3.540 1.887 5.229 0.229 22 0 "[ . 1 . 2 ]" 1
142 1 19 LYS QG 1 25 GLY HA3 4.000 . 5.000 3.603 2.133 4.766 . 0 0 "[ . 1 . 2 ]" 1
143 1 19 LYS QG 1 25 GLY HA2 4.000 . 5.000 4.118 2.354 5.145 0.145 22 0 "[ . 1 . 2 ]" 1
144 1 19 LYS QD 1 25 GLY HA3 4.000 . 5.000 4.038 2.554 5.101 0.101 22 0 "[ . 1 . 2 ]" 1
145 1 19 LYS QD 1 25 GLY HA2 4.000 . 5.000 3.880 2.289 5.087 0.087 20 0 "[ . 1 . 2 ]" 1
146 1 27 HIS HA 1 45 ILE MD 6.000 . 7.500 6.503 5.934 7.121 . 0 0 "[ . 1 . 2 ]" 1
147 1 27 HIS QB 1 45 ILE MG 6.000 . 7.500 7.665 7.470 7.811 0.311 23 0 "[ . 1 . 2 ]" 1
148 1 28 PHE QE 1 35 CYS HG 4.000 . 5.500 3.445 2.350 5.475 . 0 0 "[ . 1 . 2 ]" 1
149 1 28 PHE QE 1 36 LEU H 5.000 . 6.500 5.473 5.000 5.985 . 0 0 "[ . 1 . 2 ]" 1
150 1 28 PHE QD 1 44 ASP HB3 5.000 . 6.500 4.884 4.212 5.474 . 0 0 "[ . 1 . 2 ]" 1
151 1 28 PHE QD 1 44 ASP HB2 5.000 . 6.500 5.937 5.519 6.525 0.025 22 0 "[ . 1 . 2 ]" 1
152 1 28 PHE QE 1 44 ASP HA 4.000 . 5.500 4.297 3.902 4.798 . 0 0 "[ . 1 . 2 ]" 1
153 1 28 PHE QE 1 44 ASP HB3 4.000 . 5.500 2.864 2.341 3.692 . 0 0 "[ . 1 . 2 ]" 1
154 1 28 PHE QE 1 44 ASP HB2 4.000 . 5.500 4.169 3.801 4.666 . 0 0 "[ . 1 . 2 ]" 1
155 1 28 PHE HZ 1 44 ASP HA 4.000 . 5.000 3.369 2.777 3.998 . 0 0 "[ . 1 . 2 ]" 1
156 1 28 PHE HZ 1 44 ASP HB3 4.000 . 5.000 2.679 2.266 4.485 . 0 0 "[ . 1 . 2 ]" 1
157 1 28 PHE HZ 1 44 ASP HB2 4.000 . 5.000 4.260 3.850 5.038 0.038 22 0 "[ . 1 . 2 ]" 1
158 1 28 PHE H 1 45 ILE MD 4.000 . 5.500 5.310 4.783 5.613 0.113 8 0 "[ . 1 . 2 ]" 1
159 1 28 PHE HA 1 45 ILE MD 4.000 . 5.500 4.845 4.392 5.344 . 0 0 "[ . 1 . 2 ]" 1
160 1 28 PHE HB3 1 45 ILE MD 3.000 . 4.000 3.048 2.736 3.350 . 0 0 "[ . 1 . 2 ]" 1
161 1 28 PHE HB2 1 45 ILE MD 3.000 . 4.000 3.388 2.807 3.847 . 0 0 "[ . 1 . 2 ]" 1
162 1 28 PHE QD 1 45 ILE HA 4.000 . 5.500 4.254 3.863 4.526 . 0 0 "[ . 1 . 2 ]" 1
163 1 28 PHE QE 1 45 ILE HA 4.000 . 5.500 3.746 3.340 4.267 . 0 0 "[ . 1 . 2 ]" 1
164 1 28 PHE QD 1 45 ILE HG13 4.000 . 5.500 4.874 4.610 5.088 . 0 0 "[ . 1 . 2 ]" 1
165 1 28 PHE QD 1 45 ILE HG12 4.000 . 5.500 4.403 3.773 4.889 . 0 0 "[ . 1 . 2 ]" 1
166 1 28 PHE QD 1 45 ILE MG 4.000 . 6.000 4.048 3.496 4.218 . 0 0 "[ . 1 . 2 ]" 1
167 1 28 PHE QD 1 45 ILE MD 2.500 . 4.200 2.385 2.161 2.605 . 0 0 "[ . 1 . 2 ]" 1
168 1 28 PHE QE 1 45 ILE HG13 4.000 . 5.500 4.714 4.005 5.273 . 0 0 "[ . 1 . 2 ]" 1
169 1 28 PHE QE 1 45 ILE HG12 4.000 . 5.500 3.637 2.705 4.082 . 0 0 "[ . 1 . 2 ]" 1
170 1 28 PHE QE 1 45 ILE MG 3.000 . 4.500 4.488 3.877 4.620 0.120 6 0 "[ . 1 . 2 ]" 1
171 1 28 PHE QE 1 45 ILE MD 2.500 . 4.200 2.739 2.210 3.335 . 0 0 "[ . 1 . 2 ]" 1
172 1 28 PHE HZ 1 45 ILE QG 5.000 . 6.500 4.122 3.170 4.735 . 0 0 "[ . 1 . 2 ]" 1
173 1 28 PHE HZ 1 45 ILE MG 5.000 . 6.500 5.329 4.561 5.610 . 0 0 "[ . 1 . 2 ]" 1
174 1 28 PHE HZ 1 45 ILE MD 4.000 . 5.500 3.762 3.113 4.487 . 0 0 "[ . 1 . 2 ]" 1
175 1 30 LEU QD 1 35 CYS HB3 3.000 . 4.000 3.824 2.964 4.117 0.117 4 0 "[ . 1 . 2 ]" 1
176 1 30 LEU QD 1 35 CYS HB2 3.000 . 4.000 3.178 2.177 4.052 0.052 11 0 "[ . 1 . 2 ]" 1
177 1 30 LEU MD1 1 35 CYS HG 4.000 . 5.500 3.915 1.826 5.532 0.032 16 0 "[ . 1 . 2 ]" 1
178 1 30 LEU MD2 1 35 CYS HG 4.000 . 5.500 3.086 1.871 5.516 0.016 10 0 "[ . 1 . 2 ]" 1
179 1 30 LEU QD 1 45 ILE MD 5.000 . 7.000 3.404 2.796 4.314 . 0 0 "[ . 1 . 2 ]" 1
180 1 30 LEU QD 1 105 TYR QD 3.000 . 4.500 4.150 3.475 4.560 0.060 18 0 "[ . 1 . 2 ]" 1
181 1 30 LEU QD 1 105 TYR QE 3.000 . 4.500 4.243 3.598 4.585 0.085 7 0 "[ . 1 . 2 ]" 1
182 1 33 SER HA 1 61 ILE H 4.000 . 5.000 4.333 3.655 4.918 . 0 0 "[ . 1 . 2 ]" 1
183 1 33 SER HA 1 61 ILE HB 3.000 . 3.500 3.042 2.270 3.592 0.092 11 0 "[ . 1 . 2 ]" 1
184 1 33 SER HA 1 61 ILE QG 4.000 . 5.000 4.070 3.130 4.512 . 0 0 "[ . 1 . 2 ]" 1
185 1 33 SER HA 1 61 ILE MG 3.000 . 4.000 2.734 2.131 4.135 0.135 14 0 "[ . 1 . 2 ]" 1
186 1 33 SER HA 1 61 ILE MD 4.000 . 5.500 4.481 2.702 5.523 0.023 14 0 "[ . 1 . 2 ]" 1
187 1 33 SER QB 1 61 ILE H 4.000 . 5.000 4.021 3.689 4.705 . 0 0 "[ . 1 . 2 ]" 1
188 1 33 SER QB 1 61 ILE HB 4.000 . 5.000 3.768 2.584 4.513 . 0 0 "[ . 1 . 2 ]" 1
189 1 33 SER QB 1 61 ILE QG 4.000 . 5.000 4.746 4.198 5.124 0.124 5 0 "[ . 1 . 2 ]" 1
190 1 33 SER QB 1 61 ILE MG 4.000 . 5.500 2.924 2.023 4.930 . 0 0 "[ . 1 . 2 ]" 1
191 1 33 SER QB 1 61 ILE MD 5.000 . 6.500 5.223 3.639 6.156 . 0 0 "[ . 1 . 2 ]" 1
192 1 34 THR HA 1 58 LYS HA 6.000 . 7.000 6.717 6.583 6.918 . 0 0 "[ . 1 . 2 ]" 1
193 1 34 THR HB 1 58 LYS QD 5.000 . 6.000 4.006 3.081 4.602 . 0 0 "[ . 1 . 2 ]" 1
194 1 34 THR HB 1 58 LYS HE3 5.000 . 6.000 2.899 2.206 5.612 . 0 0 "[ . 1 . 2 ]" 1
195 1 34 THR HB 1 58 LYS HE2 5.000 . 6.000 3.582 2.231 4.644 . 0 0 "[ . 1 . 2 ]" 1
196 1 34 THR HA 1 59 ILE H 5.000 . 6.000 5.360 5.111 5.531 . 0 0 "[ . 1 . 2 ]" 1
197 1 34 THR H 1 60 GLU HA 5.000 . 6.000 5.410 5.105 5.654 . 0 0 "[ . 1 . 2 ]" 1
198 1 34 THR HA 1 60 GLU HA 2.500 . 2.700 2.599 2.250 2.809 0.109 17 0 "[ . 1 . 2 ]" 1
199 1 34 THR HB 1 60 GLU HA 4.000 . 5.000 4.185 2.742 4.719 . 0 0 "[ . 1 . 2 ]" 1
200 1 34 THR MG 1 60 GLU HA 3.000 . 4.000 3.181 2.620 3.608 . 0 0 "[ . 1 . 2 ]" 1
201 1 34 THR MG 1 60 GLU HG3 4.000 . 5.500 2.964 2.237 4.517 . 0 0 "[ . 1 . 2 ]" 1
202 1 34 THR MG 1 60 GLU HG2 4.000 . 5.500 3.735 2.223 4.361 . 0 0 "[ . 1 . 2 ]" 1
203 1 34 THR H 1 61 ILE H 5.000 . 6.000 4.975 4.521 5.349 . 0 0 "[ . 1 . 2 ]" 1
204 1 34 THR HA 1 61 ILE H 4.000 . 5.000 3.030 2.613 3.523 . 0 0 "[ . 1 . 2 ]" 1
205 1 35 CYS HA 1 45 ILE H 5.000 . 6.000 4.752 4.525 4.936 . 0 0 "[ . 1 . 2 ]" 1
206 1 35 CYS HA 1 45 ILE MD 6.000 . 7.500 4.694 4.113 5.273 . 0 0 "[ . 1 . 2 ]" 1
207 1 35 CYS HG 1 45 ILE HG13 6.000 . 7.000 3.477 2.274 4.902 . 0 0 "[ . 1 . 2 ]" 1
208 1 35 CYS HG 1 45 ILE HG12 6.000 . 7.000 3.404 1.776 4.750 0.024 5 0 "[ . 1 . 2 ]" 1
209 1 35 CYS HG 1 45 ILE MD 4.000 . 5.500 2.875 1.865 3.931 . 0 0 "[ . 1 . 2 ]" 1
210 1 35 CYS H 1 58 LYS HA 4.000 . 5.000 5.089 4.837 5.215 0.215 3 0 "[ . 1 . 2 ]" 1
211 1 35 CYS HA 1 58 LYS HA 5.000 . 6.000 5.543 5.401 5.640 . 0 0 "[ . 1 . 2 ]" 1
212 1 35 CYS H 1 59 ILE H 3.000 . 3.700 3.507 3.246 3.739 0.039 23 0 "[ . 1 . 2 ]" 1
213 1 35 CYS H 1 59 ILE HB 4.000 . 5.000 3.807 3.380 4.085 . 0 0 "[ . 1 . 2 ]" 1
214 1 35 CYS H 1 59 ILE MG 4.000 . 5.500 3.970 3.267 4.303 . 0 0 "[ . 1 . 2 ]" 1
215 1 35 CYS HA 1 59 ILE H 5.000 . 6.000 4.570 4.301 4.792 . 0 0 "[ . 1 . 2 ]" 1
216 1 35 CYS QB 1 59 ILE H 3.000 . 3.700 2.834 2.462 3.120 . 0 0 "[ . 1 . 2 ]" 1
217 1 35 CYS HB3 1 59 ILE HB 4.000 . 5.000 2.546 2.243 4.020 . 0 0 "[ . 1 . 2 ]" 1
218 1 35 CYS HB2 1 59 ILE HB 4.000 . 5.000 2.660 2.236 3.922 . 0 0 "[ . 1 . 2 ]" 1
219 1 35 CYS QB 1 59 ILE MG 4.000 . 5.500 2.976 2.233 3.657 . 0 0 "[ . 1 . 2 ]" 1
220 1 35 CYS QB 1 59 ILE MD 4.000 . 5.500 3.345 2.850 4.289 . 0 0 "[ . 1 . 2 ]" 1
221 1 35 CYS H 1 60 GLU H 6.000 2.800 7.000 4.742 4.541 4.922 . 0 0 "[ . 1 . 2 ]" 1
222 1 35 CYS H 1 60 GLU HA 3.000 . 3.700 3.152 2.834 3.368 . 0 0 "[ . 1 . 2 ]" 1
223 1 35 CYS H 1 60 GLU QB 4.000 . 5.000 4.899 4.542 5.195 0.195 14 0 "[ . 1 . 2 ]" 1
224 1 35 CYS H 1 60 GLU QG 4.000 . 5.000 4.806 4.020 5.135 0.135 16 0 "[ . 1 . 2 ]" 1
225 1 35 CYS H 1 61 ILE H 4.000 . 5.000 4.040 3.435 4.777 . 0 0 "[ . 1 . 2 ]" 1
226 1 35 CYS H 1 61 ILE MG 4.000 . 5.500 5.668 5.413 5.877 0.377 15 0 "[ . 1 . 2 ]" 1
227 1 35 CYS H 1 61 ILE MD 4.000 . 5.500 4.559 2.659 5.586 0.086 11 0 "[ . 1 . 2 ]" 1
228 1 36 LEU QD 1 42 GLU HG3 3.000 . 4.000 2.851 2.173 4.148 0.148 10 0 "[ . 1 . 2 ]" 1
229 1 36 LEU QD 1 42 GLU HG2 3.000 . 4.000 3.374 2.320 4.127 0.127 3 0 "[ . 1 . 2 ]" 1
230 1 36 LEU H 1 43 CYS HA 4.000 . 5.000 4.168 3.889 4.509 . 0 0 "[ . 1 . 2 ]" 1
231 1 36 LEU QB 1 43 CYS HA 2.500 . 2.700 2.214 2.106 2.362 . 0 0 "[ . 1 . 2 ]" 1
232 1 36 LEU QB 1 43 CYS H 4.000 . 5.000 4.894 4.657 5.011 0.011 17 0 "[ . 1 . 2 ]" 1
233 1 36 LEU QB 1 43 CYS HB3 4.000 . 5.000 3.494 3.154 4.007 . 0 0 "[ . 1 . 2 ]" 1
234 1 36 LEU QB 1 43 CYS HB2 4.000 . 5.000 4.686 4.471 4.993 . 0 0 "[ . 1 . 2 ]" 1
235 1 36 LEU QD 1 43 CYS H 4.000 . 5.500 3.733 3.378 4.146 . 0 0 "[ . 1 . 2 ]" 1
236 1 36 LEU QD 1 43 CYS HA 4.000 . 5.500 2.318 2.019 2.692 . 0 0 "[ . 1 . 2 ]" 1
237 1 36 LEU H 1 44 ASP H 3.000 . 3.700 2.517 2.312 2.868 . 0 0 "[ . 1 . 2 ]" 1
238 1 36 LEU H 1 44 ASP HA 5.000 . 6.000 4.432 4.286 4.669 . 0 0 "[ . 1 . 2 ]" 1
239 1 36 LEU H 1 44 ASP HB3 4.000 . 5.000 3.390 1.945 3.551 . 0 0 "[ . 1 . 2 ]" 1
240 1 36 LEU H 1 44 ASP HB2 4.000 . 5.000 1.784 1.707 2.487 0.093 23 0 "[ . 1 . 2 ]" 1
241 1 36 LEU HA 1 44 ASP H 5.000 . 6.000 4.392 4.243 4.556 . 0 0 "[ . 1 . 2 ]" 1
242 1 36 LEU QB 1 44 ASP H 3.000 . 3.700 2.085 1.793 2.410 0.007 21 0 "[ . 1 . 2 ]" 1
243 1 36 LEU MD1 1 44 ASP H 5.000 . 6.500 4.732 4.549 4.990 . 0 0 "[ . 1 . 2 ]" 1
244 1 36 LEU MD2 1 44 ASP H 5.000 . 6.500 3.581 3.290 3.953 . 0 0 "[ . 1 . 2 ]" 1
245 1 36 LEU H 1 45 ILE H 4.000 . 5.000 3.188 2.958 3.427 . 0 0 "[ . 1 . 2 ]" 1
246 1 36 LEU QB 1 45 ILE H 4.000 . 5.000 3.775 3.453 4.036 . 0 0 "[ . 1 . 2 ]" 1
247 1 36 LEU MD1 1 55 GLN HA 4.000 . 5.500 2.616 2.190 3.360 . 0 0 "[ . 1 . 2 ]" 1
248 1 36 LEU MD2 1 55 GLN HA 4.000 . 5.500 3.277 2.169 4.074 . 0 0 "[ . 1 . 2 ]" 1
249 1 36 LEU QD 1 55 GLN QB 4.000 . 5.500 2.799 2.196 3.617 . 0 0 "[ . 1 . 2 ]" 1
250 1 36 LEU MD1 1 55 GLN HG3 4.000 . 5.500 3.884 2.226 4.667 . 0 0 "[ . 1 . 2 ]" 1
251 1 36 LEU MD1 1 55 GLN HG2 4.000 . 5.500 3.133 2.263 4.746 . 0 0 "[ . 1 . 2 ]" 1
252 1 36 LEU MD2 1 55 GLN HG3 4.000 . 5.500 3.707 2.293 4.691 . 0 0 "[ . 1 . 2 ]" 1
253 1 36 LEU MD2 1 55 GLN HG2 4.000 . 5.500 2.975 2.040 4.687 . 0 0 "[ . 1 . 2 ]" 1
254 1 36 LEU MD1 1 55 GLN HE21 4.000 . 5.500 4.013 2.202 4.823 . 0 0 "[ . 1 . 2 ]" 1
255 1 36 LEU MD1 1 55 GLN HE22 4.000 . 5.500 4.449 2.896 5.454 . 0 0 "[ . 1 . 2 ]" 1
256 1 36 LEU MD2 1 55 GLN HE21 4.000 . 5.500 2.951 1.773 3.756 0.027 5 0 "[ . 1 . 2 ]" 1
257 1 36 LEU MD2 1 55 GLN HE22 4.000 . 5.500 3.509 1.745 4.725 0.055 6 0 "[ . 1 . 2 ]" 1
258 1 36 LEU QD 1 56 HIS H 5.000 . 6.500 3.935 3.295 4.410 . 0 0 "[ . 1 . 2 ]" 1
259 1 36 LEU HA 1 57 CYS H 4.000 . 5.000 5.063 4.891 5.170 0.170 7 0 "[ . 1 . 2 ]" 1
260 1 36 LEU H 1 58 LYS HA 5.000 . 6.000 4.795 4.706 4.932 . 0 0 "[ . 1 . 2 ]" 1
261 1 36 LEU HA 1 58 LYS HA 2.500 . 2.700 2.339 2.195 2.534 . 0 0 "[ . 1 . 2 ]" 1
262 1 36 LEU QB 1 58 LYS HA 4.000 . 5.000 4.242 4.089 4.479 . 0 0 "[ . 1 . 2 ]" 1
263 1 36 LEU MD1 1 58 LYS HA 4.000 . 5.500 3.225 2.889 4.367 . 0 0 "[ . 1 . 2 ]" 1
264 1 36 LEU MD2 1 58 LYS HA 4.000 . 5.500 5.395 4.827 5.578 0.078 16 0 "[ . 1 . 2 ]" 1
265 1 36 LEU H 1 59 ILE H 5.000 . 6.000 4.695 4.522 4.886 . 0 0 "[ . 1 . 2 ]" 1
266 1 36 LEU HA 1 59 ILE H 3.000 . 3.700 3.495 3.289 3.692 . 0 0 "[ . 1 . 2 ]" 1
267 1 36 LEU QB 1 59 ILE H 5.000 . 6.000 5.011 4.697 5.227 . 0 0 "[ . 1 . 2 ]" 1
268 1 36 LEU MD1 1 71 PHE QD 4.000 . 6.000 3.944 3.363 4.404 . 0 0 "[ . 1 . 2 ]" 1
269 1 36 LEU MD2 1 71 PHE QD 4.000 . 6.000 5.701 4.536 6.064 0.064 7 0 "[ . 1 . 2 ]" 1
270 1 36 LEU MD1 1 71 PHE QE 4.000 . 6.000 2.754 2.245 3.186 . 0 0 "[ . 1 . 2 ]" 1
271 1 36 LEU MD2 1 71 PHE QE 4.000 . 6.000 4.818 4.119 5.078 . 0 0 "[ . 1 . 2 ]" 1
272 1 36 LEU MD1 1 71 PHE HZ 4.000 . 5.500 3.447 3.011 4.012 . 0 0 "[ . 1 . 2 ]" 1
273 1 36 LEU MD2 1 71 PHE HZ 4.000 . 5.500 5.318 4.942 5.698 0.198 13 0 "[ . 1 . 2 ]" 1
274 1 37 PHE HA 1 43 CYS HA 6.000 . 7.000 4.916 4.348 5.389 . 0 0 "[ . 1 . 2 ]" 1
275 1 37 PHE HA 1 43 CYS HB3 5.000 . 6.000 2.941 2.700 3.242 . 0 0 "[ . 1 . 2 ]" 1
276 1 37 PHE HA 1 43 CYS HB2 5.000 . 6.000 4.124 3.704 4.553 . 0 0 "[ . 1 . 2 ]" 1
277 1 37 PHE HA 1 44 ASP H 4.000 . 5.000 4.902 4.645 5.136 0.136 11 0 "[ . 1 . 2 ]" 1
278 1 37 PHE HA 1 45 ILE H 3.000 . 3.700 3.275 3.101 3.500 . 0 0 "[ . 1 . 2 ]" 1
279 1 37 PHE HA 1 45 ILE HB 3.000 . 3.500 2.252 2.184 2.404 . 0 0 "[ . 1 . 2 ]" 1
280 1 37 PHE HA 1 45 ILE HG13 4.000 . 5.000 4.172 3.815 4.471 . 0 0 "[ . 1 . 2 ]" 1
281 1 37 PHE HA 1 45 ILE HG12 4.000 . 5.000 4.456 3.816 4.924 . 0 0 "[ . 1 . 2 ]" 1
282 1 37 PHE HA 1 45 ILE MG 3.000 . 4.000 3.553 3.289 3.757 . 0 0 "[ . 1 . 2 ]" 1
283 1 37 PHE HA 1 45 ILE MD 4.000 . 5.500 4.944 4.418 5.150 . 0 0 "[ . 1 . 2 ]" 1
284 1 37 PHE QB 1 45 ILE MD 5.000 . 6.500 5.522 4.919 5.675 . 0 0 "[ . 1 . 2 ]" 1
285 1 37 PHE QD 1 45 ILE HB 4.000 . 5.500 3.157 2.355 3.490 . 0 0 "[ . 1 . 2 ]" 1
286 1 37 PHE QD 1 45 ILE HG13 4.000 . 5.500 3.657 3.453 3.991 . 0 0 "[ . 1 . 2 ]" 1
287 1 37 PHE QD 1 45 ILE HG12 4.000 . 5.500 4.646 4.152 5.227 . 0 0 "[ . 1 . 2 ]" 1
288 1 37 PHE QD 1 45 ILE MG 2.500 . 4.200 2.855 2.383 3.498 . 0 0 "[ . 1 . 2 ]" 1
289 1 37 PHE QD 1 45 ILE MD 3.000 . 4.500 4.395 3.669 4.591 0.091 6 0 "[ . 1 . 2 ]" 1
290 1 37 PHE QE 1 45 ILE HG13 4.000 . 5.500 3.018 2.619 3.560 . 0 0 "[ . 1 . 2 ]" 1
291 1 37 PHE QE 1 45 ILE HG12 4.000 . 5.500 4.348 4.001 4.982 . 0 0 "[ . 1 . 2 ]" 1
292 1 37 PHE QE 1 45 ILE MG 3.000 . 4.500 2.488 2.189 3.032 . 0 0 "[ . 1 . 2 ]" 1
293 1 37 PHE QE 1 45 ILE MD 3.000 . 4.500 3.428 2.620 3.829 . 0 0 "[ . 1 . 2 ]" 1
294 1 37 PHE HZ 1 45 ILE HG13 5.000 . 6.000 3.258 2.746 4.583 . 0 0 "[ . 1 . 2 ]" 1
295 1 37 PHE HZ 1 45 ILE HG12 5.000 . 6.000 4.908 4.484 5.516 . 0 0 "[ . 1 . 2 ]" 1
296 1 37 PHE HZ 1 45 ILE MG 4.000 . 5.500 3.507 3.158 4.072 . 0 0 "[ . 1 . 2 ]" 1
297 1 37 PHE HZ 1 45 ILE MD 3.000 . 4.000 3.405 2.489 4.035 0.035 13 0 "[ . 1 . 2 ]" 1
298 1 37 PHE HA 1 46 ARG HA 4.000 . 5.000 4.581 4.335 4.853 . 0 0 "[ . 1 . 2 ]" 1
299 1 37 PHE HA 1 47 ILE H 5.000 . 6.000 5.151 4.859 5.469 . 0 0 "[ . 1 . 2 ]" 1
300 1 37 PHE HA 1 47 ILE MD 4.000 . 5.500 3.473 3.276 3.756 . 0 0 "[ . 1 . 2 ]" 1
301 1 37 PHE HB3 1 47 ILE MD 4.000 . 5.500 2.274 2.170 2.546 . 0 0 "[ . 1 . 2 ]" 1
302 1 37 PHE HB2 1 47 ILE MD 4.000 . 5.500 3.762 3.562 4.003 . 0 0 "[ . 1 . 2 ]" 1
303 1 37 PHE QD 1 47 ILE MD 3.000 . 4.500 2.245 2.102 2.398 . 0 0 "[ . 1 . 2 ]" 1
304 1 37 PHE QE 1 47 ILE MD 4.000 . 6.000 4.037 3.685 4.335 . 0 0 "[ . 1 . 2 ]" 1
305 1 37 PHE H 1 56 HIS H 5.000 . 6.000 4.773 4.438 5.066 . 0 0 "[ . 1 . 2 ]" 1
306 1 37 PHE HA 1 56 HIS H 5.000 . 6.000 5.512 5.309 5.712 . 0 0 "[ . 1 . 2 ]" 1
307 1 37 PHE QB 1 56 HIS H 5.000 . 6.000 3.954 3.813 4.123 . 0 0 "[ . 1 . 2 ]" 1
308 1 37 PHE QD 1 56 HIS H 5.000 . 6.000 5.945 5.736 6.077 0.077 7 0 "[ . 1 . 2 ]" 1
309 1 37 PHE H 1 57 CYS H 3.000 . 3.700 3.175 3.087 3.297 . 0 0 "[ . 1 . 2 ]" 1
310 1 37 PHE H 1 57 CYS QB 5.000 . 6.000 4.687 4.264 5.043 . 0 0 "[ . 1 . 2 ]" 1
311 1 37 PHE HA 1 57 CYS H 5.000 . 6.000 4.685 4.461 5.162 . 0 0 "[ . 1 . 2 ]" 1
312 1 37 PHE HB3 1 57 CYS H 4.000 . 5.000 3.457 3.105 4.437 . 0 0 "[ . 1 . 2 ]" 1
313 1 37 PHE HB2 1 57 CYS H 4.000 . 5.000 2.131 1.908 2.814 . 0 0 "[ . 1 . 2 ]" 1
314 1 37 PHE QD 1 57 CYS H 3.000 . 4.200 4.000 3.659 4.210 0.010 8 0 "[ . 1 . 2 ]" 1
315 1 37 PHE QD 1 57 CYS QB 3.000 . 4.000 3.915 3.444 4.125 0.125 16 0 "[ . 1 . 2 ]" 1
316 1 37 PHE H 1 58 LYS HA 3.000 . 3.700 3.022 2.876 3.209 . 0 0 "[ . 1 . 2 ]" 1
317 1 37 PHE H 1 58 LYS QG 4.000 . 5.000 4.885 4.486 5.125 0.125 16 0 "[ . 1 . 2 ]" 1
318 1 37 PHE QD 1 58 LYS HA 3.000 . 4.000 2.402 2.143 2.643 . 0 0 "[ . 1 . 2 ]" 1
319 1 37 PHE QE 1 58 LYS HA 4.000 . 5.500 3.512 2.962 3.836 . 0 0 "[ . 1 . 2 ]" 1
320 1 37 PHE H 1 59 ILE H 4.000 . 5.000 4.694 4.473 4.873 . 0 0 "[ . 1 . 2 ]" 1
321 1 37 PHE QD 1 59 ILE H 4.000 . 5.500 3.305 3.126 4.073 . 0 0 "[ . 1 . 2 ]" 1
322 1 37 PHE QD 1 59 ILE MD 4.000 . 6.000 4.142 3.065 5.316 . 0 0 "[ . 1 . 2 ]" 1
323 1 37 PHE QE 1 59 ILE H 4.000 . 5.500 2.718 2.496 3.267 . 0 0 "[ . 1 . 2 ]" 1
324 1 37 PHE QE 1 59 ILE HA 4.000 . 5.500 4.468 4.144 4.661 . 0 0 "[ . 1 . 2 ]" 1
325 1 37 PHE QE 1 59 ILE HG13 4.000 . 5.500 2.479 2.192 4.408 . 0 0 "[ . 1 . 2 ]" 1
326 1 37 PHE QE 1 59 ILE HG12 4.000 . 5.500 3.762 2.442 3.972 . 0 0 "[ . 1 . 2 ]" 1
327 1 37 PHE QE 1 59 ILE MD 3.000 . 4.500 2.436 2.075 3.833 . 0 0 "[ . 1 . 2 ]" 1
328 1 37 PHE HZ 1 59 ILE H 5.000 . 6.000 5.063 4.763 5.305 . 0 0 "[ . 1 . 2 ]" 1
329 1 37 PHE HZ 1 59 ILE HA 5.000 . 6.000 6.157 6.061 6.283 0.283 16 0 "[ . 1 . 2 ]" 1
330 1 37 PHE HZ 1 59 ILE HG13 5.000 . 6.000 3.666 2.844 5.063 . 0 0 "[ . 1 . 2 ]" 1
331 1 37 PHE HZ 1 59 ILE HG12 5.000 . 6.000 4.467 3.074 4.861 . 0 0 "[ . 1 . 2 ]" 1
332 1 37 PHE HZ 1 59 ILE MD 4.000 . 6.500 2.207 1.983 4.372 . 0 0 "[ . 1 . 2 ]" 1
333 1 37 PHE QE 1 68 LEU QD 4.000 . 6.000 4.193 3.264 5.013 . 0 0 "[ . 1 . 2 ]" 1
334 1 37 PHE QE 1 96 ILE MG 4.000 . 6.000 4.171 3.550 4.573 . 0 0 "[ . 1 . 2 ]" 1
335 1 37 PHE QE 1 96 ILE MD 3.000 . 4.500 3.957 3.681 4.643 0.143 22 0 "[ . 1 . 2 ]" 1
336 1 37 PHE HZ 1 96 ILE H 6.000 . 7.000 6.908 6.375 7.097 0.097 6 0 "[ . 1 . 2 ]" 1
337 1 37 PHE HZ 1 96 ILE MG 4.000 . 5.500 4.613 3.731 4.971 . 0 0 "[ . 1 . 2 ]" 1
338 1 37 PHE HZ 1 96 ILE MD 4.000 . 5.500 3.623 3.315 4.746 . 0 0 "[ . 1 . 2 ]" 1
339 1 37 PHE HA 1 98 ILE MD 4.000 . 5.500 4.948 4.346 5.594 0.094 6 0 "[ . 1 . 2 ]" 1
340 1 37 PHE HB3 1 98 ILE MD 4.000 . 5.500 2.946 2.400 3.574 . 0 0 "[ . 1 . 2 ]" 1
341 1 37 PHE HB2 1 98 ILE MD 4.000 . 5.500 3.631 3.326 4.089 . 0 0 "[ . 1 . 2 ]" 1
342 1 37 PHE QD 1 98 ILE QG 5.000 . 7.000 3.843 3.251 4.389 . 0 0 "[ . 1 . 2 ]" 1
343 1 37 PHE QD 1 98 ILE MG 4.000 . 6.000 4.824 4.586 5.111 . 0 0 "[ . 1 . 2 ]" 1
344 1 37 PHE QD 1 98 ILE MD 2.500 . 4.200 2.576 2.177 3.409 . 0 0 "[ . 1 . 2 ]" 1
345 1 37 PHE QE 1 98 ILE MG 4.000 . 6.000 6.210 6.034 6.319 0.319 17 0 "[ . 1 . 2 ]" 1
346 1 37 PHE QE 1 98 ILE MD 3.000 . 4.500 3.667 3.372 4.204 . 0 0 "[ . 1 . 2 ]" 1
347 1 37 PHE HZ 1 98 ILE MD 5.000 . 6.500 5.236 4.911 5.605 . 0 0 "[ . 1 . 2 ]" 1
348 1 37 PHE QD 1 103 PHE QD 4.000 . 6.000 4.112 3.805 4.417 . 0 0 "[ . 1 . 2 ]" 1
349 1 37 PHE QE 1 103 PHE QB 4.000 . 5.500 2.863 2.410 3.249 . 0 0 "[ . 1 . 2 ]" 1
350 1 37 PHE QE 1 103 PHE QD 3.000 . 4.500 2.875 2.508 3.004 . 0 0 "[ . 1 . 2 ]" 1
351 1 37 PHE QE 1 103 PHE QE 3.000 . 4.500 3.457 3.083 3.812 . 0 0 "[ . 1 . 2 ]" 1
352 1 37 PHE HZ 1 103 PHE QB 5.000 . 6.000 3.475 3.164 3.812 . 0 0 "[ . 1 . 2 ]" 1
353 1 37 PHE HZ 1 103 PHE QD 4.000 . 5.500 4.012 3.221 4.407 . 0 0 "[ . 1 . 2 ]" 1
354 1 38 GLY H 1 43 CYS H 5.000 . 6.000 6.071 5.868 6.231 0.231 23 0 "[ . 1 . 2 ]" 1
355 1 38 GLY H 1 43 CYS HB3 4.000 . 5.000 3.200 2.880 3.515 . 0 0 "[ . 1 . 2 ]" 1
356 1 38 GLY H 1 43 CYS HB2 4.000 . 5.000 3.657 3.288 3.897 . 0 0 "[ . 1 . 2 ]" 1
357 1 38 GLY H 1 45 ILE H 4.000 . 5.000 4.750 4.640 4.888 . 0 0 "[ . 1 . 2 ]" 1
358 1 38 GLY H 1 45 ILE HB 4.000 . 5.000 3.971 3.828 4.156 . 0 0 "[ . 1 . 2 ]" 1
359 1 38 GLY H 1 45 ILE MG 4.000 . 5.500 4.263 3.970 4.510 . 0 0 "[ . 1 . 2 ]" 1
360 1 38 GLY H 1 46 ARG HA 3.000 . 3.700 3.472 3.239 3.749 0.049 10 0 "[ . 1 . 2 ]" 1
361 1 38 GLY H 1 46 ARG QB 4.000 . 6.000 5.391 5.194 5.639 . 0 0 "[ . 1 . 2 ]" 1
362 1 38 GLY H 1 47 ILE HA 4.000 . 5.000 5.161 5.059 5.248 0.248 15 0 "[ . 1 . 2 ]" 1
363 1 38 GLY H 1 47 ILE H 3.000 . 3.700 3.290 2.976 3.591 . 0 0 "[ . 1 . 2 ]" 1
364 1 38 GLY H 1 47 ILE QG 5.000 . 6.500 2.766 2.503 3.029 . 0 0 "[ . 1 . 2 ]" 1
365 1 38 GLY H 1 47 ILE MD 4.000 . 5.500 2.588 2.244 2.905 . 0 0 "[ . 1 . 2 ]" 1
366 1 38 GLY QA 1 47 ILE H 5.000 . 6.000 3.970 3.687 4.217 . 0 0 "[ . 1 . 2 ]" 1
367 1 38 GLY H 1 52 VAL HB 4.000 . 6.000 5.956 5.796 6.144 0.144 4 0 "[ . 1 . 2 ]" 1
368 1 38 GLY H 1 52 VAL QG 4.000 . 5.500 3.728 3.493 3.958 . 0 0 "[ . 1 . 2 ]" 1
369 1 38 GLY HA3 1 52 VAL QG 3.000 . 4.000 3.613 3.409 4.070 0.070 14 0 "[ . 1 . 2 ]" 1
370 1 38 GLY HA2 1 52 VAL QG 3.000 . 4.000 2.249 2.080 2.629 . 0 0 "[ . 1 . 2 ]" 1
371 1 38 GLY H 1 56 HIS H 4.000 . 5.000 4.844 4.538 5.045 0.045 20 0 "[ . 1 . 2 ]" 1
372 1 38 GLY H 1 56 HIS HB3 4.000 . 5.000 4.747 4.502 4.982 . 0 0 "[ . 1 . 2 ]" 1
373 1 38 GLY H 1 56 HIS HB2 4.000 . 5.000 5.013 4.838 5.123 0.123 15 0 "[ . 1 . 2 ]" 1
374 1 38 GLY QA 1 56 HIS H 3.000 . 3.700 2.791 2.524 2.998 . 0 0 "[ . 1 . 2 ]" 1
375 1 38 GLY HA3 1 56 HIS QB 4.000 . 5.000 3.776 3.543 4.118 . 0 0 "[ . 1 . 2 ]" 1
376 1 38 GLY HA2 1 56 HIS QB 4.000 . 5.000 3.003 2.754 3.232 . 0 0 "[ . 1 . 2 ]" 1
377 1 38 GLY H 1 98 ILE MD 5.000 . 6.500 5.028 4.349 6.114 . 0 0 "[ . 1 . 2 ]" 1
378 1 39 ARG HA 1 47 ILE H 3.000 . 3.700 2.745 2.107 3.049 . 0 0 "[ . 1 . 2 ]" 1
379 1 39 ARG HA 1 49 LEU H 5.000 . 6.000 4.125 3.753 4.537 . 0 0 "[ . 1 . 2 ]" 1
380 1 39 ARG HG3 1 49 LEU H 4.000 . 5.000 3.603 2.828 4.913 . 0 0 "[ . 1 . 2 ]" 1
381 1 39 ARG HG2 1 49 LEU H 4.000 . 5.000 2.980 2.332 4.998 . 0 0 "[ . 1 . 2 ]" 1
382 1 39 ARG HD3 1 49 LEU H 4.000 . 5.000 4.335 3.550 5.133 0.133 7 0 "[ . 1 . 2 ]" 1
383 1 39 ARG HD2 1 49 LEU H 4.000 . 5.000 3.374 1.989 4.390 . 0 0 "[ . 1 . 2 ]" 1
384 1 39 ARG HD3 1 50 PRO HA 4.000 . 5.000 2.965 2.253 3.859 . 0 0 "[ . 1 . 2 ]" 1
385 1 39 ARG HD2 1 50 PRO HA 4.000 . 5.000 2.547 2.249 3.322 . 0 0 "[ . 1 . 2 ]" 1
386 1 39 ARG H 1 52 VAL QG 3.000 . 4.200 3.102 2.127 3.530 . 0 0 "[ . 1 . 2 ]" 1
387 1 39 ARG HD3 1 52 VAL H 4.000 . 5.000 4.576 3.321 5.260 0.260 4 0 "[ . 1 . 2 ]" 1
388 1 39 ARG HD2 1 52 VAL H 4.000 . 5.000 4.487 3.705 5.174 0.174 11 0 "[ . 1 . 2 ]" 1
389 1 39 ARG H 1 54 LYS HA 2.500 . 2.900 2.516 2.146 3.021 0.121 8 0 "[ . 1 . 2 ]" 1
390 1 39 ARG H 1 55 GLN H 5.000 . 6.000 5.310 4.945 5.767 . 0 0 "[ . 1 . 2 ]" 1
391 1 39 ARG H 1 56 HIS H 4.000 . 5.000 4.779 4.415 5.051 0.051 11 0 "[ . 1 . 2 ]" 1
392 1 40 GLY H 1 54 LYS HA 2.500 . 2.900 2.322 1.827 2.811 . 0 0 "[ . 1 . 2 ]" 1
393 1 40 GLY H 1 55 GLN H 5.000 . 6.000 5.629 5.076 5.902 . 0 0 "[ . 1 . 2 ]" 1
394 1 40 GLY H 1 56 HIS H 5.000 . 6.000 5.967 5.701 6.110 0.110 11 0 "[ . 1 . 2 ]" 1
395 1 41 ILE HA 1 46 ARG QD 3.000 . 3.500 2.954 2.144 3.602 0.102 13 0 "[ . 1 . 2 ]" 1
396 1 42 GLU QG 1 55 GLN HE21 4.000 . 5.000 3.771 3.320 4.666 . 0 0 "[ . 1 . 2 ]" 1
397 1 42 GLU QG 1 55 GLN HE22 4.000 . 5.000 4.377 2.359 5.214 0.214 23 0 "[ . 1 . 2 ]" 1
398 1 45 ILE HG13 1 58 LYS HA 6.000 2.800 7.000 5.679 5.188 6.053 . 0 0 "[ . 1 . 2 ]" 1
399 1 45 ILE HG12 1 58 LYS HA 6.000 2.800 7.000 6.477 5.837 7.029 0.029 17 0 "[ . 1 . 2 ]" 1
400 1 45 ILE MG 1 58 LYS HA 5.000 . 6.500 6.720 6.542 6.870 0.370 10 0 "[ . 1 . 2 ]" 1
401 1 45 ILE QG 1 98 ILE MD 6.000 2.800 7.500 5.943 5.408 6.918 . 0 0 "[ . 1 . 2 ]" 1
402 1 45 ILE MG 1 98 ILE MD 5.000 . 7.000 4.464 3.986 5.362 . 0 0 "[ . 1 . 2 ]" 1
403 1 45 ILE MD 1 98 ILE MD 6.000 2.800 8.000 6.052 5.636 6.910 . 0 0 "[ . 1 . 2 ]" 1
404 1 45 ILE HG13 1 103 PHE QE 4.000 . 5.500 5.021 4.617 5.648 0.148 8 0 "[ . 1 . 2 ]" 1
405 1 45 ILE HG12 1 103 PHE QE 4.000 . 5.500 5.618 5.484 5.694 0.194 7 0 "[ . 1 . 2 ]" 1
406 1 45 ILE MG 1 103 PHE QD 3.000 . 4.500 2.996 2.680 3.428 . 0 0 "[ . 1 . 2 ]" 1
407 1 45 ILE MG 1 103 PHE QE 3.000 . 4.500 2.084 1.982 2.277 . 0 0 "[ . 1 . 2 ]" 1
408 1 45 ILE MD 1 103 PHE QD 3.000 . 4.500 3.327 2.969 3.880 . 0 0 "[ . 1 . 2 ]" 1
409 1 45 ILE MD 1 103 PHE QE 3.000 . 4.500 3.255 2.890 3.539 . 0 0 "[ . 1 . 2 ]" 1
410 1 47 ILE MD 1 98 ILE MG 3.000 . 4.500 3.095 2.763 3.358 . 0 0 "[ . 1 . 2 ]" 1
411 1 47 ILE MD 1 98 ILE MD 2.500 . 3.700 2.334 1.838 3.342 . 0 0 "[ . 1 . 2 ]" 1
412 1 47 ILE MD 1 101 ARG QB 4.000 . 5.500 3.410 2.827 3.938 . 0 0 "[ . 1 . 2 ]" 1
413 1 47 ILE MD 1 101 ARG QG 4.000 . 5.500 4.300 3.137 5.199 . 0 0 "[ . 1 . 2 ]" 1
414 1 47 ILE MD 1 101 ARG QD 4.000 . 5.500 3.680 2.367 5.147 . 0 0 "[ . 1 . 2 ]" 1
415 1 47 ILE MD 1 103 PHE QD 4.000 . 6.000 4.239 3.921 4.674 . 0 0 "[ . 1 . 2 ]" 1
416 1 47 ILE MD 1 103 PHE QE 2.500 . 3.700 2.748 2.281 3.396 . 0 0 "[ . 1 . 2 ]" 1
417 1 51 VAL HB 1 75 ASN HD21 5.000 . 6.000 4.711 3.888 5.441 . 0 0 "[ . 1 . 2 ]" 1
418 1 51 VAL HB 1 75 ASN HD22 5.000 . 6.000 5.348 3.900 5.867 . 0 0 "[ . 1 . 2 ]" 1
419 1 51 VAL MG1 1 75 ASN HD21 5.000 . 6.500 5.758 4.966 6.514 0.014 22 0 "[ . 1 . 2 ]" 1
420 1 51 VAL MG1 1 75 ASN HD22 5.000 . 6.500 6.023 4.654 6.523 0.023 9 0 "[ . 1 . 2 ]" 1
421 1 51 VAL MG2 1 75 ASN HD21 5.000 . 6.500 5.275 4.680 5.744 . 0 0 "[ . 1 . 2 ]" 1
422 1 51 VAL MG2 1 75 ASN HD22 5.000 . 6.500 6.024 5.135 6.417 . 0 0 "[ . 1 . 2 ]" 1
423 1 51 VAL H 1 99 ILE MD 5.000 . 6.500 4.623 4.238 6.309 . 0 0 "[ . 1 . 2 ]" 1
424 1 52 VAL QG 1 57 CYS H 4.000 . 5.500 4.577 4.420 4.803 . 0 0 "[ . 1 . 2 ]" 1
425 1 52 VAL QG 1 70 ASN HD21 5.000 . 6.500 6.504 6.365 6.616 0.116 5 0 "[ . 1 . 2 ]" 1
426 1 52 VAL QG 1 70 ASN HD22 5.000 . 6.500 6.472 6.200 6.635 0.135 8 0 "[ . 1 . 2 ]" 1
427 1 52 VAL HA 1 75 ASN HD21 4.000 . 5.000 4.092 3.528 5.061 0.061 17 0 "[ . 1 . 2 ]" 1
428 1 52 VAL HA 1 75 ASN HD22 4.000 . 5.000 5.006 4.717 5.136 0.136 3 0 "[ . 1 . 2 ]" 1
429 1 52 VAL HA 1 98 ILE MG 5.000 . 6.500 3.410 3.179 3.802 . 0 0 "[ . 1 . 2 ]" 1
430 1 52 VAL QG 1 98 ILE HB 3.000 . 4.000 3.263 2.987 3.576 . 0 0 "[ . 1 . 2 ]" 1
431 1 52 VAL QG 1 98 ILE MG 3.000 . 4.500 1.958 1.859 2.101 . 0 0 "[ . 1 . 2 ]" 1
432 1 52 VAL H 1 99 ILE MD 4.000 . 5.500 3.627 3.063 5.281 . 0 0 "[ . 1 . 2 ]" 1
433 1 52 VAL HA 1 99 ILE MD 3.000 . 4.000 2.590 2.126 3.961 . 0 0 "[ . 1 . 2 ]" 1
434 1 53 SER H 1 98 ILE QG 5.000 . 6.000 6.269 6.128 6.394 0.394 16 0 "[ . 1 . 2 ]" 1
435 1 53 SER H 1 98 ILE MG 4.000 . 5.500 4.106 3.881 4.329 . 0 0 "[ . 1 . 2 ]" 1
436 1 53 SER H 1 99 ILE MD 4.000 . 5.500 4.081 3.721 5.522 0.022 13 0 "[ . 1 . 2 ]" 1
437 1 56 HIS HD2 1 72 SER H 5.000 . 6.000 5.215 5.040 5.370 . 0 0 "[ . 1 . 2 ]" 1
438 1 56 HIS HE2 1 72 SER H 5.000 . 6.000 5.759 5.514 5.980 . 0 0 "[ . 1 . 2 ]" 1
439 1 56 HIS HD2 1 72 SER QB 4.000 . 5.000 4.194 3.974 4.440 . 0 0 "[ . 1 . 2 ]" 1
440 1 56 HIS HE1 1 72 SER QB 4.000 . 5.000 3.413 3.149 3.807 . 0 0 "[ . 1 . 2 ]" 1
441 1 56 HIS HE2 1 72 SER QB 3.000 . 3.700 3.710 3.535 3.838 0.138 11 0 "[ . 1 . 2 ]" 1
442 1 56 HIS HE1 1 75 ASN HB3 4.000 . 5.000 3.683 2.264 3.986 . 0 0 "[ . 1 . 2 ]" 1
443 1 56 HIS HE1 1 75 ASN HB2 4.000 . 5.000 2.267 2.121 2.359 . 0 0 "[ . 1 . 2 ]" 1
444 1 56 HIS HE2 1 75 ASN HB3 4.000 . 5.000 5.012 3.887 5.262 0.262 7 0 "[ . 1 . 2 ]" 1
445 1 56 HIS HE2 1 75 ASN HB2 4.000 . 5.000 3.676 3.396 4.408 . 0 0 "[ . 1 . 2 ]" 1
446 1 56 HIS HE2 1 76 PRO HA 4.000 . 5.000 4.150 3.904 4.456 . 0 0 "[ . 1 . 2 ]" 1
447 1 56 HIS HD2 1 77 THR HA 4.000 . 5.000 3.717 3.441 3.955 . 0 0 "[ . 1 . 2 ]" 1
448 1 56 HIS HD2 1 77 THR HB 4.000 . 5.000 4.346 4.211 4.754 . 0 0 "[ . 1 . 2 ]" 1
449 1 56 HIS HD2 1 77 THR HG1 3.000 . 3.500 2.106 1.855 2.357 . 0 0 "[ . 1 . 2 ]" 1
450 1 56 HIS HD2 1 77 THR MG 4.000 . 5.500 3.561 3.247 3.965 . 0 0 "[ . 1 . 2 ]" 1
451 1 56 HIS HE1 1 77 THR HA 6.000 . 7.000 5.365 4.937 5.621 . 0 0 "[ . 1 . 2 ]" 1
452 1 56 HIS HE1 1 77 THR HB 6.000 . 7.000 7.228 7.117 7.318 0.318 12 0 "[ . 1 . 2 ]" 1
453 1 56 HIS HE1 1 77 THR HG1 4.000 . 5.000 4.863 4.707 5.109 0.109 4 0 "[ . 1 . 2 ]" 1
454 1 56 HIS HE2 1 77 THR H 4.000 . 5.000 3.798 3.628 4.014 . 0 0 "[ . 1 . 2 ]" 1
455 1 56 HIS HE2 1 77 THR HA 4.000 . 5.000 2.908 2.545 3.141 . 0 0 "[ . 1 . 2 ]" 1
456 1 56 HIS HE2 1 77 THR HB 4.000 . 5.000 4.955 4.802 5.026 0.026 9 0 "[ . 1 . 2 ]" 1
457 1 56 HIS HE2 1 77 THR HG1 4.000 . 5.000 2.755 2.502 3.012 . 0 0 "[ . 1 . 2 ]" 1
458 1 56 HIS HE2 1 78 GLN H 5.000 . 6.000 5.169 4.664 5.500 . 0 0 "[ . 1 . 2 ]" 1
459 1 56 HIS QB 1 98 ILE MG 4.000 . 5.500 3.208 2.933 3.625 . 0 0 "[ . 1 . 2 ]" 1
460 1 56 HIS HB3 1 98 ILE MD 4.000 . 5.500 3.539 3.093 4.104 . 0 0 "[ . 1 . 2 ]" 1
461 1 56 HIS HB2 1 98 ILE MD 4.000 . 5.500 4.554 3.986 5.167 . 0 0 "[ . 1 . 2 ]" 1
462 1 56 HIS HA 1 98 ILE MD 5.000 . 6.500 5.745 5.510 6.476 . 0 0 "[ . 1 . 2 ]" 1
463 1 56 HIS HD2 1 98 ILE HB 4.000 . 5.000 5.006 4.886 5.131 0.131 8 0 "[ . 1 . 2 ]" 1
464 1 56 HIS HD2 1 98 ILE MG 2.500 . 2.700 2.502 2.221 2.710 0.010 14 0 "[ . 1 . 2 ]" 1
465 1 56 HIS HD2 1 98 ILE MD 3.000 . 4.000 2.942 2.203 3.944 . 0 0 "[ . 1 . 2 ]" 1
466 1 56 HIS HE1 1 98 ILE HA 5.000 . 6.000 5.301 4.824 5.692 . 0 0 "[ . 1 . 2 ]" 1
467 1 56 HIS HE1 1 98 ILE HB 5.000 . 6.000 6.096 6.004 6.232 0.232 13 0 "[ . 1 . 2 ]" 1
468 1 56 HIS HE1 1 98 ILE MG 3.000 . 4.000 3.131 2.954 3.368 . 0 0 "[ . 1 . 2 ]" 1
469 1 56 HIS HE1 1 98 ILE MD 5.000 . 6.500 5.489 5.181 6.122 . 0 0 "[ . 1 . 2 ]" 1
470 1 56 HIS HE2 1 98 ILE HA 5.000 . 6.000 3.221 2.852 3.525 . 0 0 "[ . 1 . 2 ]" 1
471 1 56 HIS HE2 1 98 ILE QG 4.000 . 5.000 4.004 3.169 5.126 0.126 7 0 "[ . 1 . 2 ]" 1
472 1 56 HIS HE2 1 98 ILE MG 3.000 . 4.200 2.165 1.990 2.250 . 0 0 "[ . 1 . 2 ]" 1
473 1 56 HIS HE2 1 98 ILE MD 5.000 . 6.500 4.241 3.369 5.117 . 0 0 "[ . 1 . 2 ]" 1
474 1 56 HIS HE1 1 99 ILE MD 4.000 . 5.500 2.450 2.191 3.184 . 0 0 "[ . 1 . 2 ]" 1
475 1 56 HIS HE2 1 99 ILE MD 4.000 . 5.500 4.119 3.413 4.440 . 0 0 "[ . 1 . 2 ]" 1
476 1 57 CYS HA 1 68 LEU HG 4.000 . 5.000 4.870 4.478 5.088 0.088 15 0 "[ . 1 . 2 ]" 1
477 1 57 CYS QB 1 68 LEU HG 4.000 . 5.000 3.773 2.978 4.709 . 0 0 "[ . 1 . 2 ]" 1
478 1 57 CYS HA 1 68 LEU MD1 4.000 . 5.500 4.359 3.657 5.223 . 0 0 "[ . 1 . 2 ]" 1
479 1 57 CYS HA 1 68 LEU MD2 4.000 . 5.500 4.625 3.512 5.357 . 0 0 "[ . 1 . 2 ]" 1
480 1 57 CYS QB 1 68 LEU MD1 4.000 . 5.500 2.800 2.041 3.570 . 0 0 "[ . 1 . 2 ]" 1
481 1 57 CYS QB 1 68 LEU MD2 4.000 . 5.500 3.223 2.323 4.049 . 0 0 "[ . 1 . 2 ]" 1
482 1 57 CYS H 1 71 PHE QD 3.000 . 4.200 3.523 3.066 3.858 . 0 0 "[ . 1 . 2 ]" 1
483 1 57 CYS H 1 71 PHE QE 3.000 . 4.200 3.984 3.758 4.312 0.112 13 0 "[ . 1 . 2 ]" 1
484 1 57 CYS HA 1 71 PHE QD 3.000 . 4.000 2.395 2.253 2.546 . 0 0 "[ . 1 . 2 ]" 1
485 1 57 CYS HA 1 71 PHE QE 3.000 . 4.000 2.918 2.738 3.516 . 0 0 "[ . 1 . 2 ]" 1
486 1 57 CYS QB 1 71 PHE QD 3.000 . 4.000 4.136 3.972 4.316 0.316 18 0 "[ . 1 . 2 ]" 1
487 1 57 CYS QB 1 77 THR H 4.000 . 5.000 4.222 3.683 4.570 . 0 0 "[ . 1 . 2 ]" 1
488 1 57 CYS H 1 77 THR MG 4.000 . 5.500 5.641 5.560 5.754 0.254 7 0 "[ . 1 . 2 ]" 1
489 1 57 CYS H 1 98 ILE MG 5.000 . 6.500 5.181 4.748 5.671 . 0 0 "[ . 1 . 2 ]" 1
490 1 57 CYS H 1 98 ILE MD 4.000 . 5.500 4.540 4.301 5.447 . 0 0 "[ . 1 . 2 ]" 1
491 1 57 CYS QB 1 98 ILE MD 4.000 . 5.500 3.440 2.558 5.337 . 0 0 "[ . 1 . 2 ]" 1
492 1 58 LYS H 1 68 LEU HA 4.000 . 5.000 4.245 3.977 4.406 . 0 0 "[ . 1 . 2 ]" 1
493 1 58 LYS H 1 68 LEU QD 4.000 . 5.500 2.869 2.067 3.552 . 0 0 "[ . 1 . 2 ]" 1
494 1 58 LYS HA 1 68 LEU QD 5.000 . 6.500 4.376 3.405 5.191 . 0 0 "[ . 1 . 2 ]" 1
495 1 58 LYS QB 1 68 LEU HA 4.000 . 5.000 5.155 5.028 5.308 0.308 20 0 "[ . 1 . 2 ]" 1
496 1 58 LYS H 1 69 HIS H 4.000 . 5.000 2.481 2.300 2.700 . 0 0 "[ . 1 . 2 ]" 1
497 1 58 LYS H 1 69 HIS HB3 4.000 . 5.000 4.200 3.869 4.902 . 0 0 "[ . 1 . 2 ]" 1
498 1 58 LYS H 1 69 HIS HB2 4.000 . 5.000 3.467 3.259 3.800 . 0 0 "[ . 1 . 2 ]" 1
499 1 58 LYS H 1 69 HIS HD2 5.000 . 6.000 5.767 5.380 5.991 . 0 0 "[ . 1 . 2 ]" 1
500 1 58 LYS QB 1 69 HIS H 4.000 . 5.000 3.706 3.459 4.482 . 0 0 "[ . 1 . 2 ]" 1
501 1 58 LYS QG 1 69 HIS HB3 3.000 . 3.500 3.600 3.285 3.742 0.242 14 0 "[ . 1 . 2 ]" 1
502 1 58 LYS QG 1 69 HIS HB2 3.000 . 3.500 2.301 2.017 2.627 . 0 0 "[ . 1 . 2 ]" 1
503 1 58 LYS QG 1 69 HIS HD2 4.000 . 5.000 3.396 2.957 4.308 . 0 0 "[ . 1 . 2 ]" 1
504 1 58 LYS H 1 70 ASN H 3.000 . 3.900 4.207 4.143 4.317 0.417 16 0 "[ . 1 . 2 ]" 1
505 1 58 LYS H 1 71 PHE H 5.000 . 6.000 4.686 4.435 4.893 . 0 0 "[ . 1 . 2 ]" 1
506 1 58 LYS H 1 71 PHE QD 4.000 . 5.500 4.086 3.914 4.345 . 0 0 "[ . 1 . 2 ]" 1
507 1 58 LYS H 1 71 PHE QE 4.000 . 5.500 3.011 2.679 3.971 . 0 0 "[ . 1 . 2 ]" 1
508 1 58 LYS HA 1 71 PHE QD 4.000 . 5.500 5.556 5.441 5.791 0.291 20 0 "[ . 1 . 2 ]" 1
509 1 58 LYS HA 1 71 PHE QE 4.000 . 5.500 3.702 3.440 4.636 . 0 0 "[ . 1 . 2 ]" 1
510 1 58 LYS QB 1 71 PHE QE 4.000 . 5.500 2.075 1.957 2.553 . 0 0 "[ . 1 . 2 ]" 1
511 1 58 LYS QB 1 71 PHE HZ 4.000 . 5.000 2.391 2.006 4.129 . 0 0 "[ . 1 . 2 ]" 1
512 1 58 LYS QG 1 71 PHE HZ 3.000 . 3.500 3.450 2.254 3.681 0.181 14 0 "[ . 1 . 2 ]" 1
513 1 58 LYS QD 1 71 PHE HZ 3.000 . 3.500 2.171 2.034 2.297 . 0 0 "[ . 1 . 2 ]" 1
514 1 58 LYS HE3 1 71 PHE HZ 4.000 . 5.000 4.556 2.241 5.093 0.093 14 0 "[ . 1 . 2 ]" 1
515 1 58 LYS HE2 1 71 PHE HZ 4.000 . 5.000 4.610 3.768 5.000 . 0 0 "[ . 1 . 2 ]" 1
516 1 58 LYS QE 1 71 PHE QE 4.000 . 6.000 4.725 2.379 5.125 . 0 0 "[ . 1 . 2 ]" 1
517 1 58 LYS HA 1 98 ILE MD 5.000 . 6.500 6.626 6.446 6.831 0.331 12 0 "[ . 1 . 2 ]" 1
518 1 59 ILE HA 1 67 ILE MG 5.000 . 6.500 4.847 4.444 5.284 . 0 0 "[ . 1 . 2 ]" 1
519 1 59 ILE MG 1 67 ILE H 4.000 . 5.500 2.802 2.473 3.134 . 0 0 "[ . 1 . 2 ]" 1
520 1 59 ILE H 1 68 LEU QD 5.000 . 6.500 4.437 3.652 5.309 . 0 0 "[ . 1 . 2 ]" 1
521 1 59 ILE HA 1 68 LEU HA 3.000 . 3.500 2.261 2.152 2.358 . 0 0 "[ . 1 . 2 ]" 1
522 1 59 ILE QG 1 68 LEU H 4.000 . 5.000 4.506 4.130 5.011 0.011 15 0 "[ . 1 . 2 ]" 1
523 1 59 ILE HA 1 69 HIS HD2 4.000 . 5.000 4.183 3.810 4.560 . 0 0 "[ . 1 . 2 ]" 1
524 1 59 ILE MG 1 69 HIS HD2 5.000 . 6.500 5.313 4.951 5.596 . 0 0 "[ . 1 . 2 ]" 1
525 1 59 ILE HA 1 90 LEU QD 4.000 . 5.500 3.828 3.381 4.597 . 0 0 "[ . 1 . 2 ]" 1
526 1 59 ILE HG13 1 90 LEU QD 4.000 . 5.500 3.907 2.429 4.914 . 0 0 "[ . 1 . 2 ]" 1
527 1 59 ILE HG12 1 90 LEU QD 4.000 . 5.500 2.825 2.069 3.942 . 0 0 "[ . 1 . 2 ]" 1
528 1 59 ILE MG 1 90 LEU QD 4.000 . 6.000 2.813 2.258 3.768 . 0 0 "[ . 1 . 2 ]" 1
529 1 59 ILE MD 1 90 LEU QD 3.000 . 4.500 2.937 2.026 3.845 . 0 0 "[ . 1 . 2 ]" 1
530 1 59 ILE MG 1 96 ILE MD 4.000 . 6.000 3.629 3.255 4.580 . 0 0 "[ . 1 . 2 ]" 1
531 1 59 ILE MD 1 105 TYR QD 4.000 . 6.000 4.561 4.032 6.130 0.130 2 0 "[ . 1 . 2 ]" 1
532 1 60 GLU H 1 67 ILE H 3.000 . 3.700 3.079 2.856 3.398 . 0 0 "[ . 1 . 2 ]" 1
533 1 60 GLU H 1 67 ILE MG 4.000 . 5.500 3.884 3.341 4.243 . 0 0 "[ . 1 . 2 ]" 1
534 1 60 GLU H 1 68 LEU QD 6.000 . 7.500 4.900 4.227 5.453 . 0 0 "[ . 1 . 2 ]" 1
535 1 60 GLU H 1 69 HIS HD2 4.000 . 5.000 2.808 2.509 3.049 . 0 0 "[ . 1 . 2 ]" 1
536 1 60 GLU H 1 69 HIS HE1 6.000 . 7.000 6.888 6.620 7.077 0.077 22 0 "[ . 1 . 2 ]" 1
537 1 60 GLU HA 1 69 HIS HD2 4.000 . 5.000 4.582 4.296 5.062 0.062 14 0 "[ . 1 . 2 ]" 1
538 1 60 GLU HB3 1 69 HIS HD2 4.000 . 5.000 2.967 2.355 4.392 . 0 0 "[ . 1 . 2 ]" 1
539 1 60 GLU HB2 1 69 HIS HD2 4.000 . 5.000 2.531 2.268 2.905 . 0 0 "[ . 1 . 2 ]" 1
540 1 60 GLU HG3 1 69 HIS HD2 4.000 . 5.000 4.332 2.364 4.975 . 0 0 "[ . 1 . 2 ]" 1
541 1 60 GLU HG2 1 69 HIS HD2 4.000 . 5.000 4.724 3.903 5.057 0.057 20 0 "[ . 1 . 2 ]" 1
542 1 60 GLU H 1 90 LEU QD 4.000 . 5.500 4.657 4.125 5.234 . 0 0 "[ . 1 . 2 ]" 1
543 1 61 ILE HA 1 66 ALA HA 3.000 . 3.500 2.280 2.203 2.501 . 0 0 "[ . 1 . 2 ]" 1
544 1 61 ILE HG13 1 66 ALA HA 4.000 . 5.000 3.962 3.411 5.132 0.132 14 0 "[ . 1 . 2 ]" 1
545 1 61 ILE HG12 1 66 ALA HA 4.000 . 5.000 4.605 2.302 5.185 0.185 13 0 "[ . 1 . 2 ]" 1
546 1 61 ILE MG 1 66 ALA HA 4.000 . 5.500 4.317 2.837 5.015 . 0 0 "[ . 1 . 2 ]" 1
547 1 61 ILE MD 1 66 ALA H 4.000 . 5.500 4.512 3.695 5.604 0.104 7 0 "[ . 1 . 2 ]" 1
548 1 61 ILE MD 1 66 ALA HA 3.000 . 4.000 2.874 2.229 4.110 0.110 16 0 "[ . 1 . 2 ]" 1
549 1 61 ILE MD 1 66 ALA MB 3.000 . 4.500 2.416 1.953 3.407 . 0 0 "[ . 1 . 2 ]" 1
550 1 61 ILE HA 1 67 ILE H 3.000 . 3.700 3.328 2.873 3.635 . 0 0 "[ . 1 . 2 ]" 1
551 1 61 ILE QG 1 105 TYR QD 4.000 . 7.000 6.190 5.061 6.975 . 0 0 "[ . 1 . 2 ]" 1
552 1 61 ILE MD 1 105 TYR QD 4.000 . 6.000 4.691 4.108 5.686 . 0 0 "[ . 1 . 2 ]" 1
553 1 61 ILE MD 1 105 TYR QE 4.000 . 6.000 4.036 3.120 5.183 . 0 0 "[ . 1 . 2 ]" 1
554 1 62 HIS H 1 67 ILE H 4.000 . 5.000 4.326 3.784 4.763 . 0 0 "[ . 1 . 2 ]" 1
555 1 62 HIS HD2 1 67 ILE H 4.000 . 5.000 3.852 3.233 5.103 0.103 21 0 "[ . 1 . 2 ]" 1
556 1 62 HIS HD2 1 67 ILE HG13 4.000 . 5.000 2.928 2.200 4.709 . 0 0 "[ . 1 . 2 ]" 1
557 1 62 HIS HD2 1 67 ILE HG12 4.000 . 5.000 2.689 2.245 3.693 . 0 0 "[ . 1 . 2 ]" 1
558 1 62 HIS HD2 1 67 ILE MG 3.000 . 4.000 4.047 3.774 4.237 0.237 4 0 "[ . 1 . 2 ]" 1
559 1 65 GLU QB 1 89 ARG QG 5.000 . 6.000 3.761 2.944 4.919 . 0 0 "[ . 1 . 2 ]" 1
560 1 65 GLU QB 1 89 ARG QD 5.000 . 6.000 4.470 2.958 5.367 . 0 0 "[ . 1 . 2 ]" 1
561 1 65 GLU QG 1 89 ARG HG3 4.000 . 5.000 4.128 2.461 5.021 0.021 2 0 "[ . 1 . 2 ]" 1
562 1 65 GLU QG 1 89 ARG HG2 4.000 . 5.000 4.613 3.172 5.192 0.192 7 0 "[ . 1 . 2 ]" 1
563 1 65 GLU QG 1 89 ARG QD 5.000 . 6.000 4.245 2.226 5.394 . 0 0 "[ . 1 . 2 ]" 1
564 1 66 ALA H 1 90 LEU H 4.000 . 5.000 4.602 4.033 5.103 0.103 23 0 "[ . 1 . 2 ]" 1
565 1 66 ALA MB 1 90 LEU MD1 4.000 . 6.000 2.839 2.177 3.915 . 0 0 "[ . 1 . 2 ]" 1
566 1 66 ALA MB 1 90 LEU MD2 4.000 . 6.000 4.165 2.023 5.005 . 0 0 "[ . 1 . 2 ]" 1
567 1 66 ALA MB 1 105 TYR QD 5.000 . 7.000 3.012 2.584 3.256 . 0 0 "[ . 1 . 2 ]" 1
568 1 66 ALA MB 1 105 TYR QE 4.000 . 6.000 2.528 2.361 2.700 . 0 0 "[ . 1 . 2 ]" 1
569 1 67 ILE MG 1 87 PRO HA 4.000 . 5.500 4.439 4.017 4.959 . 0 0 "[ . 1 . 2 ]" 1
570 1 67 ILE MG 1 87 PRO QB 3.000 . 4.000 3.226 2.967 3.709 . 0 0 "[ . 1 . 2 ]" 1
571 1 67 ILE MG 1 87 PRO QG 4.000 . 5.500 4.727 4.429 5.182 . 0 0 "[ . 1 . 2 ]" 1
572 1 67 ILE MG 1 88 VAL H 3.000 . 4.200 3.590 3.095 4.068 . 0 0 "[ . 1 . 2 ]" 1
573 1 67 ILE HA 1 89 ARG HA 3.000 . 3.500 3.019 2.509 3.415 . 0 0 "[ . 1 . 2 ]" 1
574 1 67 ILE MG 1 89 ARG H 4.000 . 5.500 4.410 4.095 4.729 . 0 0 "[ . 1 . 2 ]" 1
575 1 67 ILE MG 1 89 ARG HA 4.000 . 5.500 2.925 2.489 3.428 . 0 0 "[ . 1 . 2 ]" 1
576 1 67 ILE MD 1 89 ARG H 4.000 . 5.500 4.652 3.986 5.780 0.280 2 0 "[ . 1 . 2 ]" 1
577 1 67 ILE MD 1 89 ARG HG3 4.000 . 5.500 2.302 1.997 3.004 . 0 0 "[ . 1 . 2 ]" 1
578 1 67 ILE MD 1 89 ARG HG2 4.000 . 5.500 3.512 3.140 4.250 . 0 0 "[ . 1 . 2 ]" 1
579 1 67 ILE MD 1 89 ARG HD3 4.000 . 5.500 4.301 3.381 5.391 . 0 0 "[ . 1 . 2 ]" 1
580 1 67 ILE MD 1 89 ARG HD2 4.000 . 5.500 4.021 3.200 4.859 . 0 0 "[ . 1 . 2 ]" 1
581 1 67 ILE HA 1 90 LEU H 3.000 . 3.700 2.974 2.356 3.386 . 0 0 "[ . 1 . 2 ]" 1
582 1 67 ILE H 1 90 LEU H 5.000 . 6.000 5.291 5.002 5.548 . 0 0 "[ . 1 . 2 ]" 1
583 1 67 ILE H 1 90 LEU QD 4.000 . 5.500 3.911 3.176 4.527 . 0 0 "[ . 1 . 2 ]" 1
584 1 67 ILE MG 1 90 LEU H 4.000 . 5.500 4.149 3.325 4.863 . 0 0 "[ . 1 . 2 ]" 1
585 1 67 ILE HA 1 90 LEU MD1 5.000 . 6.500 3.028 2.169 5.017 . 0 0 "[ . 1 . 2 ]" 1
586 1 67 ILE HA 1 90 LEU MD2 5.000 . 6.500 4.422 2.262 5.245 . 0 0 "[ . 1 . 2 ]" 1
587 1 67 ILE QG 1 105 TYR QD 4.000 . 7.000 7.217 7.124 7.352 0.352 22 0 "[ . 1 . 2 ]" 1
588 1 67 ILE MD 1 105 TYR QD 4.000 . 6.000 6.184 6.058 6.336 0.336 14 0 "[ . 1 . 2 ]" 1
589 1 68 LEU QD 1 77 THR H 5.000 . 6.500 4.354 4.074 4.554 . 0 0 "[ . 1 . 2 ]" 1
590 1 68 LEU QD 1 77 THR HA 5.000 . 6.500 4.725 4.558 5.064 . 0 0 "[ . 1 . 2 ]" 1
591 1 68 LEU QD 1 77 THR HB 4.000 . 5.500 2.596 2.411 2.901 . 0 0 "[ . 1 . 2 ]" 1
592 1 68 LEU QD 1 77 THR MG 2.500 . 3.700 2.232 2.000 2.747 . 0 0 "[ . 1 . 2 ]" 1
593 1 68 LEU QD 1 79 VAL H 5.000 . 6.500 5.113 4.766 5.584 . 0 0 "[ . 1 . 2 ]" 1
594 1 68 LEU QD 1 80 ASN H 6.000 2.800 7.500 6.348 6.010 6.681 . 0 0 "[ . 1 . 2 ]" 1
595 1 68 LEU H 1 84 ILE MD 5.000 . 6.500 5.769 5.453 6.138 . 0 0 "[ . 1 . 2 ]" 1
596 1 68 LEU H 1 88 VAL H 3.000 . 3.700 3.488 3.173 3.885 0.185 18 0 "[ . 1 . 2 ]" 1
597 1 68 LEU H 1 88 VAL QG 4.000 . 5.500 3.508 3.127 3.868 . 0 0 "[ . 1 . 2 ]" 1
598 1 68 LEU QD 1 88 VAL H 5.000 . 6.500 3.429 2.980 3.728 . 0 0 "[ . 1 . 2 ]" 1
599 1 68 LEU QD 1 88 VAL HA 4.000 . 5.500 5.483 5.261 5.687 0.187 20 0 "[ . 1 . 2 ]" 1
600 1 68 LEU QD 1 88 VAL HB 4.000 . 5.500 5.087 4.814 5.431 . 0 0 "[ . 1 . 2 ]" 1
601 1 68 LEU MD1 1 88 VAL QG 3.000 . 4.500 3.940 3.102 4.507 0.007 20 0 "[ . 1 . 2 ]" 1
602 1 68 LEU MD2 1 88 VAL QG 3.000 . 4.500 2.601 2.288 3.127 . 0 0 "[ . 1 . 2 ]" 1
603 1 68 LEU H 1 89 ARG HA 3.000 . 3.700 3.747 3.335 3.891 0.191 5 0 "[ . 1 . 2 ]" 1
604 1 68 LEU H 1 90 LEU H 4.000 . 5.000 4.017 3.280 4.372 . 0 0 "[ . 1 . 2 ]" 1
605 1 68 LEU H 1 90 LEU MD1 4.000 . 5.500 2.624 1.753 4.686 0.047 6 0 "[ . 1 . 2 ]" 1
606 1 68 LEU H 1 90 LEU MD2 4.000 . 5.500 3.707 2.472 4.623 . 0 0 "[ . 1 . 2 ]" 1
607 1 68 LEU HA 1 90 LEU QD 4.000 . 5.500 3.204 2.909 3.715 . 0 0 "[ . 1 . 2 ]" 1
608 1 68 LEU HB3 1 90 LEU QD 4.000 . 5.500 2.938 2.225 3.953 . 0 0 "[ . 1 . 2 ]" 1
609 1 68 LEU HB2 1 90 LEU QD 4.000 . 5.500 2.079 1.947 2.677 . 0 0 "[ . 1 . 2 ]" 1
610 1 68 LEU MD1 1 90 LEU QD 3.000 . 4.500 2.755 2.319 3.492 . 0 0 "[ . 1 . 2 ]" 1
611 1 68 LEU MD2 1 90 LEU QD 3.000 . 4.500 3.323 2.710 4.073 . 0 0 "[ . 1 . 2 ]" 1
612 1 68 LEU QD 1 96 ILE H 6.000 2.800 7.500 5.734 5.193 6.164 . 0 0 "[ . 1 . 2 ]" 1
613 1 68 LEU QD 1 96 ILE HB 4.000 . 5.500 4.297 3.705 4.770 . 0 0 "[ . 1 . 2 ]" 1
614 1 68 LEU QD 1 96 ILE MD 4.000 . 6.000 2.310 1.956 2.968 . 0 0 "[ . 1 . 2 ]" 1
615 1 69 HIS H 1 84 ILE MG 4.000 . 6.500 5.292 4.904 5.694 . 0 0 "[ . 1 . 2 ]" 1
616 1 69 HIS H 1 84 ILE MD 4.000 . 6.500 5.919 5.314 6.565 0.065 19 0 "[ . 1 . 2 ]" 1
617 1 69 HIS H 1 88 VAL H 5.000 . 6.000 5.126 4.895 5.378 . 0 0 "[ . 1 . 2 ]" 1
618 1 70 ASN HD21 1 76 PRO HB3 4.000 . 5.000 5.099 4.755 5.213 0.213 16 0 "[ . 1 . 2 ]" 1
619 1 70 ASN HD21 1 76 PRO HB2 4.000 . 5.000 4.781 4.553 5.013 0.013 5 0 "[ . 1 . 2 ]" 1
620 1 70 ASN HD22 1 76 PRO HB3 4.000 . 5.000 4.026 3.726 5.138 0.138 5 0 "[ . 1 . 2 ]" 1
621 1 70 ASN HD22 1 76 PRO HB2 4.000 . 5.000 4.092 3.838 4.590 . 0 0 "[ . 1 . 2 ]" 1
622 1 70 ASN HA 1 77 THR HB 5.000 . 6.000 4.216 3.695 4.633 . 0 0 "[ . 1 . 2 ]" 1
623 1 70 ASN HB3 1 77 THR HB 5.000 . 6.000 4.243 3.877 4.804 . 0 0 "[ . 1 . 2 ]" 1
624 1 70 ASN HB2 1 77 THR HB 5.000 . 6.000 2.800 2.250 4.713 . 0 0 "[ . 1 . 2 ]" 1
625 1 70 ASN HB3 1 77 THR HG1 5.000 . 6.000 5.357 5.182 5.696 . 0 0 "[ . 1 . 2 ]" 1
626 1 70 ASN HB2 1 77 THR HG1 5.000 . 6.000 4.168 3.810 5.901 . 0 0 "[ . 1 . 2 ]" 1
627 1 70 ASN HD21 1 77 THR H 5.000 . 6.000 2.006 1.800 2.589 . 2 0 "[ . 1 . 2 ]" 1
628 1 70 ASN HD22 1 77 THR H 5.000 . 6.000 1.806 1.700 1.908 0.100 13 0 "[ . 1 . 2 ]" 1
629 1 70 ASN QD 1 77 THR HG1 5.000 . 6.000 1.862 1.727 2.191 0.073 16 0 "[ . 1 . 2 ]" 1
630 1 70 ASN HB3 1 84 ILE QG 5.000 . 6.000 5.260 4.453 6.139 0.139 5 0 "[ . 1 . 2 ]" 1
631 1 70 ASN HB2 1 84 ILE QG 5.000 . 6.000 4.697 3.724 5.442 . 0 0 "[ . 1 . 2 ]" 1
632 1 70 ASN HB3 1 84 ILE MG 4.000 . 5.500 2.407 2.092 3.270 . 0 0 "[ . 1 . 2 ]" 1
633 1 70 ASN HB2 1 84 ILE MG 4.000 . 5.500 2.423 2.185 2.866 . 0 0 "[ . 1 . 2 ]" 1
634 1 70 ASN HB3 1 84 ILE MD 4.000 . 5.500 4.518 3.885 5.169 . 0 0 "[ . 1 . 2 ]" 1
635 1 70 ASN HB2 1 84 ILE MD 4.000 . 5.500 3.750 2.773 4.757 . 0 0 "[ . 1 . 2 ]" 1
636 1 71 PHE H 1 77 THR HG1 4.000 . 5.000 4.903 4.594 5.141 0.141 13 0 "[ . 1 . 2 ]" 1
637 1 72 SER H 1 77 THR H 5.000 . 6.000 4.686 4.361 4.941 . 0 0 "[ . 1 . 2 ]" 1
638 1 72 SER H 1 77 THR HB 5.000 . 6.000 5.969 5.595 6.129 0.129 13 0 "[ . 1 . 2 ]" 1
639 1 72 SER H 1 77 THR HG1 5.000 . 6.000 4.690 4.430 4.946 . 0 0 "[ . 1 . 2 ]" 1
640 1 72 SER HB3 1 77 THR H 4.000 . 5.000 4.261 3.276 5.037 0.037 2 0 "[ . 1 . 2 ]" 1
641 1 72 SER HB2 1 77 THR H 4.000 . 5.000 4.424 3.367 5.120 0.120 4 0 "[ . 1 . 2 ]" 1
642 1 75 ASN HA 1 99 ILE MD 4.000 . 5.500 4.507 3.646 5.167 . 0 0 "[ . 1 . 2 ]" 1
643 1 75 ASN HB3 1 99 ILE MD 3.000 . 4.000 2.745 2.114 3.381 . 0 0 "[ . 1 . 2 ]" 1
644 1 75 ASN HB2 1 99 ILE MD 3.000 . 4.000 2.560 2.124 3.170 . 0 0 "[ . 1 . 2 ]" 1
645 1 75 ASN HD21 1 99 ILE MD 5.000 . 6.500 2.134 1.743 2.706 0.057 20 0 "[ . 1 . 2 ]" 1
646 1 75 ASN HD22 1 99 ILE MD 5.000 . 6.500 3.212 2.580 3.989 . 0 0 "[ . 1 . 2 ]" 1
647 1 76 PRO HB3 1 83 VAL QG 3.000 . 4.000 3.649 3.298 4.264 0.264 9 0 "[ . 1 . 2 ]" 1
648 1 76 PRO HB2 1 83 VAL QG 3.000 . 4.000 2.719 2.252 3.367 . 0 0 "[ . 1 . 2 ]" 1
649 1 76 PRO HG3 1 83 VAL MG1 3.000 . 4.000 2.630 2.289 3.473 . 0 0 "[ . 1 . 2 ]" 1
650 1 76 PRO HG3 1 83 VAL MG2 3.000 . 4.000 4.110 3.870 4.194 0.194 10 0 "[ . 1 . 2 ]" 1
651 1 76 PRO HG2 1 83 VAL MG1 3.000 . 4.000 2.295 1.999 2.610 . 0 0 "[ . 1 . 2 ]" 1
652 1 76 PRO HG2 1 83 VAL MG2 3.000 . 4.000 3.442 3.204 3.989 . 0 0 "[ . 1 . 2 ]" 1
653 1 76 PRO QD 1 83 VAL MG1 4.000 . 5.500 3.725 3.383 3.990 . 0 0 "[ . 1 . 2 ]" 1
654 1 76 PRO QD 1 83 VAL MG2 4.000 . 5.500 4.543 4.336 5.180 . 0 0 "[ . 1 . 2 ]" 1
655 1 77 THR HB 1 84 ILE H 5.000 . 6.000 4.959 3.855 5.274 . 0 0 "[ . 1 . 2 ]" 1
656 1 77 THR HB 1 84 ILE MG 5.000 . 6.500 3.465 3.142 3.816 . 0 0 "[ . 1 . 2 ]" 1
657 1 77 THR HB 1 84 ILE MD 4.000 . 5.500 3.014 2.210 4.734 . 0 0 "[ . 1 . 2 ]" 1
658 1 77 THR HG1 1 84 ILE MD 5.000 . 6.500 5.159 4.343 6.638 0.138 4 0 "[ . 1 . 2 ]" 1
659 1 77 THR MG 1 84 ILE MD 2.500 . 3.700 2.730 1.953 3.824 0.124 19 0 "[ . 1 . 2 ]" 1
660 1 77 THR HA 1 96 ILE MG 5.000 . 6.500 4.437 4.215 4.778 . 0 0 "[ . 1 . 2 ]" 1
661 1 77 THR HG1 1 96 ILE MG 6.000 . 7.500 4.897 4.640 5.074 . 0 0 "[ . 1 . 2 ]" 1
662 1 77 THR MG 1 96 ILE MG 2.500 . 3.700 1.911 1.737 2.145 0.063 17 0 "[ . 1 . 2 ]" 1
663 1 77 THR HA 1 97 THR H 4.000 . 5.000 5.104 4.935 5.182 0.182 8 0 "[ . 1 . 2 ]" 1
664 1 77 THR MG 1 97 THR H 4.000 . 5.500 3.081 2.897 3.317 . 0 0 "[ . 1 . 2 ]" 1
665 1 77 THR HA 1 98 ILE H 5.000 . 6.000 5.211 5.034 5.459 . 0 0 "[ . 1 . 2 ]" 1
666 1 77 THR HA 1 98 ILE MG 5.000 . 6.500 3.627 3.347 3.868 . 0 0 "[ . 1 . 2 ]" 1
667 1 77 THR HA 1 98 ILE MD 5.000 . 6.500 4.439 3.103 5.319 . 0 0 "[ . 1 . 2 ]" 1
668 1 77 THR HG1 1 98 ILE MD 5.000 . 6.500 4.169 2.875 5.112 . 0 0 "[ . 1 . 2 ]" 1
669 1 77 THR MG 1 98 ILE MG 4.000 . 5.000 3.909 3.318 4.078 . 0 0 "[ . 1 . 2 ]" 1
670 1 77 THR MG 1 98 ILE MD 3.000 . 4.500 3.145 1.934 3.829 . 0 0 "[ . 1 . 2 ]" 1
671 1 78 GLN HA 1 83 VAL HA 3.000 . 3.500 2.781 2.353 3.048 . 0 0 "[ . 1 . 2 ]" 1
672 1 78 GLN HA 1 83 VAL QG 4.000 . 5.500 3.821 3.634 4.001 . 0 0 "[ . 1 . 2 ]" 1
673 1 78 GLN QG 1 83 VAL HA 4.000 . 5.000 2.234 2.152 2.269 . 0 0 "[ . 1 . 2 ]" 1
674 1 78 GLN HG3 1 83 VAL MG1 4.000 . 5.500 4.158 2.739 4.562 . 0 0 "[ . 1 . 2 ]" 1
675 1 78 GLN HG3 1 83 VAL MG2 4.000 . 5.500 4.141 3.798 5.393 . 0 0 "[ . 1 . 2 ]" 1
676 1 78 GLN HG2 1 83 VAL MG1 4.000 . 5.500 3.415 2.067 3.658 . 0 0 "[ . 1 . 2 ]" 1
677 1 78 GLN HG2 1 83 VAL MG2 4.000 . 5.500 2.885 2.511 4.285 . 0 0 "[ . 1 . 2 ]" 1
678 1 78 GLN QE 1 83 VAL HA 5.000 . 6.000 3.840 3.182 4.432 . 0 0 "[ . 1 . 2 ]" 1
679 1 78 GLN HE21 1 83 VAL MG1 4.000 . 5.500 4.045 1.990 4.388 . 0 0 "[ . 1 . 2 ]" 1
680 1 78 GLN HE21 1 83 VAL MG2 4.000 . 5.500 2.854 1.884 4.205 . 0 0 "[ . 1 . 2 ]" 1
681 1 78 GLN HE22 1 83 VAL MG1 4.000 . 5.500 5.295 3.317 5.551 0.051 13 0 "[ . 1 . 2 ]" 1
682 1 78 GLN HE22 1 83 VAL MG2 4.000 . 5.500 3.917 3.176 5.532 0.032 9 0 "[ . 1 . 2 ]" 1
683 1 78 GLN H 1 84 ILE MG 4.000 . 5.500 5.725 5.626 5.936 0.436 9 0 "[ . 1 . 2 ]" 1
684 1 78 GLN HA 1 84 ILE MG 4.000 . 5.500 4.919 4.732 5.371 . 0 0 "[ . 1 . 2 ]" 1
685 1 78 GLN HA 1 84 ILE H 3.000 . 3.700 3.136 2.807 3.427 . 0 0 "[ . 1 . 2 ]" 1
686 1 78 GLN QG 1 84 ILE H 5.000 . 6.000 3.425 3.248 3.728 . 0 0 "[ . 1 . 2 ]" 1
687 1 78 GLN H 1 96 ILE MG 4.000 . 5.500 3.255 2.900 3.894 . 0 0 "[ . 1 . 2 ]" 1
688 1 78 GLN H 1 97 THR H 3.000 . 3.700 2.910 2.747 3.180 . 0 0 "[ . 1 . 2 ]" 1
689 1 78 GLN H 1 97 THR HB 4.000 . 5.000 3.821 3.611 4.043 . 0 0 "[ . 1 . 2 ]" 1
690 1 78 GLN HA 1 97 THR HB 4.000 . 5.000 4.922 4.563 5.082 0.082 6 0 "[ . 1 . 2 ]" 1
691 1 78 GLN HB3 1 97 THR HB 4.000 . 5.000 3.339 2.994 3.577 . 0 0 "[ . 1 . 2 ]" 1
692 1 78 GLN HB2 1 97 THR HB 4.000 . 5.000 2.239 2.154 2.284 . 0 0 "[ . 1 . 2 ]" 1
693 1 78 GLN QG 1 97 THR H 4.000 . 5.000 4.904 4.731 5.138 0.138 22 0 "[ . 1 . 2 ]" 1
694 1 78 GLN QG 1 97 THR HB 4.000 . 5.000 4.294 4.199 4.400 . 0 0 "[ . 1 . 2 ]" 1
695 1 78 GLN HE21 1 97 THR HB 5.000 . 6.000 6.028 5.899 6.162 0.162 17 0 "[ . 1 . 2 ]" 1
696 1 78 GLN HE22 1 97 THR HB 5.000 . 6.000 5.805 5.492 6.043 0.043 22 0 "[ . 1 . 2 ]" 1
697 1 78 GLN H 1 98 ILE HA 4.000 . 5.000 3.289 3.039 3.557 . 0 0 "[ . 1 . 2 ]" 1
698 1 78 GLN H 1 98 ILE MD 4.000 . 5.500 4.901 3.566 5.658 0.158 13 0 "[ . 1 . 2 ]" 1
699 1 79 VAL H 1 84 ILE H 5.000 . 6.000 4.582 4.353 4.761 . 0 0 "[ . 1 . 2 ]" 1
700 1 79 VAL HB 1 84 ILE H 5.000 . 6.000 5.933 5.670 6.069 0.069 3 0 "[ . 1 . 2 ]" 1
701 1 79 VAL QG 1 94 ASP HB3 3.000 . 4.000 3.281 2.639 4.110 0.110 3 0 "[ . 1 . 2 ]" 1
702 1 79 VAL QG 1 94 ASP HB2 3.000 . 4.000 4.011 3.852 4.115 0.115 15 0 "[ . 1 . 2 ]" 1
703 1 79 VAL QG 1 95 VAL H 4.000 . 5.500 3.298 3.005 3.994 . 0 0 "[ . 1 . 2 ]" 1
704 1 79 VAL HA 1 96 ILE HA 3.000 . 3.500 2.521 2.258 2.876 . 0 0 "[ . 1 . 2 ]" 1
705 1 79 VAL QG 1 96 ILE MG 3.000 . 4.500 2.929 2.395 3.798 . 0 0 "[ . 1 . 2 ]" 1
706 1 79 VAL H 1 97 THR H 5.000 . 6.000 4.605 4.405 4.832 . 0 0 "[ . 1 . 2 ]" 1
707 1 79 VAL H 1 97 THR HB 5.000 . 6.000 5.219 4.795 5.557 . 0 0 "[ . 1 . 2 ]" 1
708 1 80 ASN H 1 94 ASP QB 5.000 . 6.000 5.033 4.220 6.025 0.025 14 0 "[ . 1 . 2 ]" 1
709 1 80 ASN QD 1 94 ASP H 4.000 . 5.000 4.992 4.620 5.118 0.118 10 0 "[ . 1 . 2 ]" 1
710 1 80 ASN H 1 95 VAL H 3.000 . 3.700 3.293 2.986 3.650 . 0 0 "[ . 1 . 2 ]" 1
711 1 80 ASN H 1 95 VAL HB 4.000 . 5.000 3.831 3.008 5.000 0.000 18 0 "[ . 1 . 2 ]" 1
712 1 80 ASN H 1 95 VAL QG 4.000 . 5.500 3.189 2.083 4.005 . 0 0 "[ . 1 . 2 ]" 1
713 1 80 ASN HA 1 95 VAL H 4.000 . 5.000 3.877 3.389 4.435 . 0 0 "[ . 1 . 2 ]" 1
714 1 80 ASN HA 1 95 VAL HB 4.000 . 5.000 3.879 2.834 5.081 0.081 8 0 "[ . 1 . 2 ]" 1
715 1 80 ASN HA 1 95 VAL QG 4.000 . 5.500 3.423 1.979 4.354 . 0 0 "[ . 1 . 2 ]" 1
716 1 80 ASN QB 1 95 VAL H 4.000 . 5.000 4.599 4.187 5.049 0.049 9 0 "[ . 1 . 2 ]" 1
717 1 80 ASN HD21 1 95 VAL H 4.000 . 5.000 4.291 2.075 5.087 0.087 6 0 "[ . 1 . 2 ]" 1
718 1 80 ASN HD22 1 95 VAL H 4.000 . 5.000 3.341 2.305 4.060 . 0 0 "[ . 1 . 2 ]" 1
719 1 80 ASN H 1 96 ILE MG 5.000 . 6.500 5.398 5.055 5.787 . 0 0 "[ . 1 . 2 ]" 1
720 1 80 ASN H 1 97 THR H 4.000 . 5.000 4.747 4.445 4.933 . 0 0 "[ . 1 . 2 ]" 1
721 1 80 ASN H 1 97 THR HB 5.000 . 6.000 5.466 5.062 5.951 . 0 0 "[ . 1 . 2 ]" 1
722 1 90 LEU QD 1 96 ILE MD 3.000 . 4.500 2.040 1.827 2.216 . 0 0 "[ . 1 . 2 ]" 1
723 1 90 LEU HA 1 105 TYR QD 4.000 . 5.500 4.580 4.387 5.004 . 0 0 "[ . 1 . 2 ]" 1
724 1 90 LEU HA 1 105 TYR QE 4.000 . 5.500 4.858 4.499 5.610 0.110 18 0 "[ . 1 . 2 ]" 1
725 1 90 LEU QD 1 105 TYR H 4.000 . 5.500 4.867 3.882 5.408 . 0 0 "[ . 1 . 2 ]" 1
726 1 90 LEU QD 1 105 TYR HB3 5.000 . 6.500 3.318 2.435 3.791 . 0 0 "[ . 1 . 2 ]" 1
727 1 90 LEU QD 1 105 TYR HB2 5.000 . 6.500 3.472 2.647 3.857 . 0 0 "[ . 1 . 2 ]" 1
728 1 90 LEU MD1 1 105 TYR QD 3.000 . 4.500 3.146 2.182 4.251 . 0 0 "[ . 1 . 2 ]" 1
729 1 90 LEU MD1 1 105 TYR QE 3.000 . 4.500 4.037 3.590 4.752 0.252 3 0 "[ . 1 . 2 ]" 1
730 1 90 LEU MD2 1 105 TYR QD 3.000 . 4.500 3.417 2.612 4.111 . 0 0 "[ . 1 . 2 ]" 1
731 1 90 LEU MD2 1 105 TYR QE 3.000 . 4.500 4.651 4.002 4.874 0.374 23 0 "[ . 1 . 2 ]" 1
732 1 90 LEU QD 1 106 GLU H 6.000 . 7.500 6.580 5.807 6.874 . 0 0 "[ . 1 . 2 ]" 1
733 1 91 LYS H 1 105 TYR QD 4.000 . 5.500 4.378 3.755 4.913 . 0 0 "[ . 1 . 2 ]" 1
734 1 91 LYS H 1 105 TYR QE 4.000 . 5.500 4.541 4.141 5.151 . 0 0 "[ . 1 . 2 ]" 1
735 1 91 LYS HA 1 105 TYR QD 5.000 . 6.500 5.104 4.470 5.423 . 0 0 "[ . 1 . 2 ]" 1
736 1 91 LYS HA 1 105 TYR QE 3.000 . 4.000 3.909 3.188 4.180 0.180 15 0 "[ . 1 . 2 ]" 1
737 1 92 HIS H 1 105 TYR QE 4.000 . 5.500 4.426 3.744 4.880 . 0 0 "[ . 1 . 2 ]" 1
738 1 92 HIS HA 1 105 TYR QD 3.000 . 4.000 3.999 3.368 4.169 0.169 3 0 "[ . 1 . 2 ]" 1
739 1 92 HIS HA 1 105 TYR QE 3.000 . 4.000 3.711 3.157 4.026 0.026 11 0 "[ . 1 . 2 ]" 1
740 1 92 HIS QB 1 105 TYR QD 5.000 . 6.500 5.384 4.762 5.666 . 0 0 "[ . 1 . 2 ]" 1
741 1 92 HIS HA 1 106 GLU HA 4.000 . 5.000 3.637 3.043 4.203 . 0 0 "[ . 1 . 2 ]" 1
742 1 92 HIS HD2 1 106 GLU QB 5.000 . 6.000 5.790 4.431 6.177 0.177 6 0 "[ . 1 . 2 ]" 1
743 1 92 HIS HD2 1 106 GLU QG 5.000 . 6.000 5.597 4.555 6.098 0.098 7 0 "[ . 1 . 2 ]" 1
744 1 92 HIS HE1 1 106 GLU H 4.000 . 5.000 4.970 4.784 5.157 0.157 21 0 "[ . 1 . 2 ]" 1
745 1 92 HIS HE1 1 106 GLU HA 4.000 . 5.000 2.497 2.234 3.228 . 0 0 "[ . 1 . 2 ]" 1
746 1 92 HIS HE1 1 106 GLU QB 3.000 . 3.500 2.307 2.108 3.677 0.177 21 0 "[ . 1 . 2 ]" 1
747 1 92 HIS HE1 1 106 GLU HG3 3.000 . 3.500 3.121 2.162 3.749 0.249 5 0 "[ . 1 . 2 ]" 1
748 1 92 HIS HE1 1 106 GLU HG2 3.000 . 3.500 2.811 2.216 3.736 0.236 3 0 "[ . 1 . 2 ]" 1
749 1 92 HIS HA 1 107 ASN H 4.000 . 5.000 3.600 3.233 4.028 . 0 0 "[ . 1 . 2 ]" 1
750 1 92 HIS HB3 1 107 ASN H 4.000 . 5.000 4.702 4.328 5.004 0.004 10 0 "[ . 1 . 2 ]" 1
751 1 92 HIS HB2 1 107 ASN H 4.000 . 5.000 3.538 3.022 4.304 . 0 0 "[ . 1 . 2 ]" 1
752 1 92 HIS HD2 1 107 ASN H 4.000 . 5.000 4.718 2.999 5.036 0.036 3 0 "[ . 1 . 2 ]" 1
753 1 92 HIS HE1 1 107 ASN H 2.500 . 2.900 2.455 1.870 2.983 0.083 20 0 "[ . 1 . 2 ]" 1
754 1 92 HIS HE1 1 108 GLU H 4.000 . 5.000 4.908 3.861 5.157 0.157 8 0 "[ . 1 . 2 ]" 1
755 1 93 GLY H 1 105 TYR QD 4.000 . 5.500 4.417 4.127 4.689 . 0 0 "[ . 1 . 2 ]" 1
756 1 93 GLY H 1 105 TYR QE 4.000 . 6.500 5.018 4.452 5.400 . 0 0 "[ . 1 . 2 ]" 1
757 1 93 GLY H 1 106 GLU HA 3.000 . 3.700 2.712 2.336 3.208 . 0 0 "[ . 1 . 2 ]" 1
758 1 93 GLY H 1 106 GLU HG3 5.000 . 6.000 4.538 3.132 5.640 . 0 0 "[ . 1 . 2 ]" 1
759 1 93 GLY H 1 106 GLU HG2 5.000 . 6.000 4.680 3.291 6.174 0.174 20 0 "[ . 1 . 2 ]" 1
760 1 93 GLY H 1 107 ASN H 3.000 . 3.700 3.791 3.664 3.893 0.193 21 0 "[ . 1 . 2 ]" 1
761 1 93 GLY H 1 107 ASN QB 5.000 . 6.000 5.105 4.802 5.715 . 0 0 "[ . 1 . 2 ]" 1
762 1 94 ASP H 1 105 TYR H 4.000 . 5.000 4.326 3.760 4.803 . 0 0 "[ . 1 . 2 ]" 1
763 1 94 ASP H 1 105 TYR QD 3.000 . 4.200 3.970 3.535 4.251 0.051 4 0 "[ . 1 . 2 ]" 1
764 1 94 ASP H 1 105 TYR QE 4.000 . 5.500 5.149 4.600 5.534 0.034 20 0 "[ . 1 . 2 ]" 1
765 1 95 VAL QG 1 102 SER HA 4.000 . 5.500 3.970 3.550 4.563 . 0 0 "[ . 1 . 2 ]" 1
766 1 95 VAL QG 1 102 SER HB3 3.000 . 4.000 3.087 2.365 4.128 0.128 8 0 "[ . 1 . 2 ]" 1
767 1 95 VAL QG 1 102 SER HB2 3.000 . 4.000 3.828 2.915 4.124 0.124 21 0 "[ . 1 . 2 ]" 1
768 1 95 VAL QG 1 103 PHE H 3.000 . 4.200 3.281 2.791 4.228 0.028 8 0 "[ . 1 . 2 ]" 1
769 1 95 VAL HA 1 104 ARG H 5.000 . 6.000 5.070 4.797 5.323 . 0 0 "[ . 1 . 2 ]" 1
770 1 95 VAL HA 1 104 ARG HA 3.000 . 3.500 2.470 2.220 2.948 . 0 0 "[ . 1 . 2 ]" 1
771 1 95 VAL MG1 1 104 ARG HA 4.000 . 5.500 3.915 2.857 5.140 . 0 0 "[ . 1 . 2 ]" 1
772 1 95 VAL MG2 1 104 ARG HA 4.000 . 5.500 3.238 2.616 4.640 . 0 0 "[ . 1 . 2 ]" 1
773 1 95 VAL HA 1 105 TYR H 3.000 . 3.700 3.373 2.907 3.740 0.040 3 0 "[ . 1 . 2 ]" 1
774 1 95 VAL QG 1 105 TYR H 4.000 . 5.500 4.073 3.503 4.947 . 0 0 "[ . 1 . 2 ]" 1
775 1 96 ILE H 1 102 SER HA 4.000 . 5.000 4.907 4.684 5.138 0.138 4 0 "[ . 1 . 2 ]" 1
776 1 96 ILE MG 1 102 SER HA 5.000 . 6.500 4.747 4.172 5.285 . 0 0 "[ . 1 . 2 ]" 1
777 1 96 ILE H 1 103 PHE H 3.000 . 3.700 3.129 2.960 3.485 . 0 0 "[ . 1 . 2 ]" 1
778 1 96 ILE H 1 103 PHE QB 4.000 . 5.000 3.549 3.215 3.977 . 0 0 "[ . 1 . 2 ]" 1
779 1 96 ILE H 1 103 PHE QD 4.000 . 5.500 5.180 4.938 5.448 . 0 0 "[ . 1 . 2 ]" 1
780 1 96 ILE H 1 103 PHE QE 6.000 . 7.500 7.349 7.147 7.596 0.096 7 0 "[ . 1 . 2 ]" 1
781 1 96 ILE HB 1 103 PHE H 4.000 . 5.000 3.250 2.519 3.721 . 0 0 "[ . 1 . 2 ]" 1
782 1 96 ILE HB 1 103 PHE QB 3.000 . 4.500 2.319 2.213 2.686 . 0 0 "[ . 1 . 2 ]" 1
783 1 96 ILE MG 1 103 PHE H 4.000 . 5.500 4.040 3.570 4.405 . 0 0 "[ . 1 . 2 ]" 1
784 1 96 ILE MG 1 103 PHE QB 4.000 . 5.500 3.334 2.977 3.691 . 0 0 "[ . 1 . 2 ]" 1
785 1 96 ILE MG 1 103 PHE QD 4.000 . 6.000 3.974 3.619 4.634 . 0 0 "[ . 1 . 2 ]" 1
786 1 96 ILE MG 1 103 PHE QE 5.000 . 7.000 5.469 4.989 6.056 . 0 0 "[ . 1 . 2 ]" 1
787 1 96 ILE MD 1 103 PHE H 4.000 . 5.500 4.937 4.535 5.331 . 0 0 "[ . 1 . 2 ]" 1
788 1 96 ILE MD 1 103 PHE QB 4.000 . 5.500 3.268 2.899 4.618 . 0 0 "[ . 1 . 2 ]" 1
789 1 96 ILE H 1 104 ARG HA 4.000 . 5.000 3.177 2.660 3.909 . 0 0 "[ . 1 . 2 ]" 1
790 1 96 ILE MD 1 104 ARG HA 4.000 . 5.500 4.789 3.724 5.488 . 0 0 "[ . 1 . 2 ]" 1
791 1 96 ILE H 1 105 TYR H 4.000 . 5.000 4.344 3.832 4.568 . 0 0 "[ . 1 . 2 ]" 1
792 1 96 ILE MD 1 105 TYR H 4.000 . 5.500 4.492 3.627 4.920 . 0 0 "[ . 1 . 2 ]" 1
793 1 96 ILE MD 1 105 TYR HB3 4.000 . 5.500 3.607 2.956 3.906 . 0 0 "[ . 1 . 2 ]" 1
794 1 96 ILE MD 1 105 TYR HB2 4.000 . 5.500 3.287 2.550 4.192 . 0 0 "[ . 1 . 2 ]" 1
795 1 96 ILE MD 1 105 TYR QD 4.000 . 6.000 4.262 3.725 4.683 . 0 0 "[ . 1 . 2 ]" 1
796 1 97 THR H 1 102 SER HA 5.000 . 6.000 4.727 4.635 4.823 . 0 0 "[ . 1 . 2 ]" 1
797 1 97 THR HA 1 102 SER H 5.000 . 6.000 4.751 4.618 4.876 . 0 0 "[ . 1 . 2 ]" 1
798 1 97 THR HA 1 102 SER HA 2.500 . 2.700 2.193 2.075 2.278 . 0 0 "[ . 1 . 2 ]" 1
799 1 97 THR HB 1 102 SER HA 4.000 . 5.000 4.776 4.186 5.097 0.097 10 0 "[ . 1 . 2 ]" 1
800 1 97 THR MG 1 102 SER HA 4.000 . 5.500 3.188 2.254 3.816 . 0 0 "[ . 1 . 2 ]" 1
801 1 97 THR HA 1 103 PHE H 3.000 . 3.700 3.255 2.681 3.605 . 0 0 "[ . 1 . 2 ]" 1
802 1 97 THR HA 1 103 PHE QD 4.000 . 5.500 3.886 3.363 4.327 . 0 0 "[ . 1 . 2 ]" 1
803 1 97 THR HA 1 103 PHE QE 4.000 . 5.500 5.464 4.964 5.660 0.160 10 0 "[ . 1 . 2 ]" 1
804 1 98 ILE H 1 103 PHE H 4.000 . 5.000 4.686 4.066 4.974 . 0 0 "[ . 1 . 2 ]" 1
805 1 98 ILE H 1 103 PHE QD 5.000 . 6.500 3.960 3.389 4.506 . 0 0 "[ . 1 . 2 ]" 1
806 1 98 ILE H 1 103 PHE QE 4.000 . 5.500 4.634 4.043 4.929 . 0 0 "[ . 1 . 2 ]" 1
807 1 98 ILE MG 1 103 PHE QE 5.000 . 7.000 4.890 4.395 5.444 . 0 0 "[ . 1 . 2 ]" 1
808 1 98 ILE MD 1 103 PHE QE 3.000 . 4.500 3.003 2.181 4.475 . 0 0 "[ . 1 . 2 ]" 1
809 1 25 GLY QA 1 26 PRO HD3 2.500 . 2.700 2.228 2.082 2.520 . 0 0 "[ . 1 . 2 ]" 1
810 1 25 GLY QA 1 26 PRO HD2 2.500 . 2.700 2.371 2.150 2.549 . 0 0 "[ . 1 . 2 ]" 1
811 1 28 PHE H 1 29 PRO HA 5.000 . 6.000 4.614 4.389 4.958 . 0 0 "[ . 1 . 2 ]" 1
812 1 28 PHE H 1 29 PRO HD3 5.000 . 6.000 3.778 3.338 4.637 . 0 0 "[ . 1 . 2 ]" 1
813 1 28 PHE H 1 29 PRO HD2 5.000 . 6.000 4.719 4.543 4.963 . 0 0 "[ . 1 . 2 ]" 1
814 1 28 PHE HA 1 29 PRO HG3 4.000 . 5.000 4.483 4.423 4.586 . 0 0 "[ . 1 . 2 ]" 1
815 1 28 PHE HA 1 29 PRO HG2 4.000 . 5.000 4.489 4.357 4.581 . 0 0 "[ . 1 . 2 ]" 1
816 1 28 PHE HA 1 29 PRO HD3 2.500 . 2.700 2.358 2.250 2.601 . 0 0 "[ . 1 . 2 ]" 1
817 1 28 PHE HA 1 29 PRO HD2 2.500 . 2.700 2.343 2.161 2.517 . 0 0 "[ . 1 . 2 ]" 1
818 1 49 LEU H 1 50 PRO QD 4.000 . 5.000 3.842 3.601 4.117 . 0 0 "[ . 1 . 2 ]" 1
819 1 49 LEU HA 1 50 PRO QG 4.000 . 5.000 3.968 3.894 3.991 . 0 0 "[ . 1 . 2 ]" 1
820 1 49 LEU HA 1 50 PRO HD3 3.000 . 3.500 2.287 2.107 2.640 . 0 0 "[ . 1 . 2 ]" 1
821 1 49 LEU HA 1 50 PRO HD2 3.000 . 3.500 2.366 2.165 2.499 . 0 0 "[ . 1 . 2 ]" 1
822 1 49 LEU QD 1 50 PRO QD 3.000 . 4.000 2.579 1.947 3.154 . 0 0 "[ . 1 . 2 ]" 1
823 1 75 ASN HA 1 76 PRO QD 4.000 . 5.000 2.115 2.055 2.167 . 0 0 "[ . 1 . 2 ]" 1
824 1 75 ASN HA 1 76 PRO HD3 3.000 . 3.500 2.797 2.660 2.954 . 0 0 "[ . 1 . 2 ]" 1
825 1 75 ASN HA 1 76 PRO HD2 3.000 . 3.500 2.190 2.117 2.239 . 0 0 "[ . 1 . 2 ]" 1
826 1 86 GLU HA 1 87 PRO QG 4.000 . 5.000 4.034 3.945 4.085 . 0 0 "[ . 1 . 2 ]" 1
827 1 86 GLU HA 1 87 PRO HD3 3.000 . 3.500 2.236 2.183 2.282 . 0 0 "[ . 1 . 2 ]" 1
828 1 86 GLU HA 1 87 PRO HD2 3.000 . 3.500 3.149 3.026 3.249 . 0 0 "[ . 1 . 2 ]" 1
829 1 86 GLU HB3 1 87 PRO HD3 4.000 . 5.000 2.958 2.578 4.255 . 0 0 "[ . 1 . 2 ]" 1
830 1 86 GLU HB3 1 87 PRO HD2 4.000 . 5.000 2.520 2.237 3.873 . 0 0 "[ . 1 . 2 ]" 1
831 1 86 GLU HB2 1 87 PRO HD3 4.000 . 5.000 3.436 2.695 4.298 . 0 0 "[ . 1 . 2 ]" 1
832 1 86 GLU HB2 1 87 PRO HD2 4.000 . 5.000 2.635 2.178 3.894 . 0 0 "[ . 1 . 2 ]" 1
833 1 86 GLU QG 1 87 PRO QD 5.000 . 6.000 3.292 1.993 3.939 . 0 0 "[ . 1 . 2 ]" 1
834 1 13 ARG H 1 14 ARG H 4.000 . 5.000 4.473 4.012 4.645 . 0 0 "[ . 1 . 2 ]" 1
835 1 14 ARG H 1 15 LEU H 4.000 . 5.000 4.393 4.291 4.540 . 0 0 "[ . 1 . 2 ]" 1
836 1 15 LEU H 1 16 VAL H 5.000 . 6.000 4.412 4.089 4.549 . 0 0 "[ . 1 . 2 ]" 1
837 1 16 VAL H 1 17 THR H 5.000 . 6.000 4.413 4.377 4.469 . 0 0 "[ . 1 . 2 ]" 1
838 1 17 THR H 1 18 ILE H 4.000 . 5.000 4.357 4.251 4.602 . 0 0 "[ . 1 . 2 ]" 1
839 1 18 ILE H 1 19 LYS H 5.000 . 6.000 4.516 4.307 4.579 . 0 0 "[ . 1 . 2 ]" 1
840 1 22 GLY H 1 23 VAL H 3.000 . 3.700 2.919 2.227 3.967 0.267 12 0 "[ . 1 . 2 ]" 1
841 1 23 VAL H 1 24 ASP H 4.000 . 5.000 4.415 3.760 4.592 . 0 0 "[ . 1 . 2 ]" 1
842 1 24 ASP H 1 25 GLY H 4.000 . 5.000 4.356 2.399 4.617 . 0 0 "[ . 1 . 2 ]" 1
843 1 31 SER H 1 32 LEU H 4.000 . 5.000 2.167 1.680 2.695 0.120 4 0 "[ . 1 . 2 ]" 1
844 1 34 THR H 1 35 CYS H 4.000 . 5.000 4.322 4.135 4.474 . 0 0 "[ . 1 . 2 ]" 1
845 1 35 CYS H 1 36 LEU H 4.000 . 5.000 4.434 4.309 4.512 . 0 0 "[ . 1 . 2 ]" 1
846 1 36 LEU H 1 37 PHE H 4.000 . 5.000 4.448 4.391 4.514 . 0 0 "[ . 1 . 2 ]" 1
847 1 37 PHE H 1 38 GLY H 4.000 . 5.000 4.538 4.462 4.568 . 0 0 "[ . 1 . 2 ]" 1
848 1 39 ARG H 1 40 GLY H 3.000 . 3.700 2.614 2.191 2.719 . 0 0 "[ . 1 . 2 ]" 1
849 1 40 GLY H 1 41 ILE H 4.000 . 5.000 4.624 4.580 4.659 . 0 0 "[ . 1 . 2 ]" 1
850 1 41 ILE H 1 42 GLU H 3.000 . 3.700 2.551 2.439 2.687 . 0 0 "[ . 1 . 2 ]" 1
851 1 42 GLU H 1 43 CYS H 3.000 . 3.700 2.740 2.617 2.831 . 0 0 "[ . 1 . 2 ]" 1
852 1 43 CYS H 1 44 ASP H 4.000 . 5.000 4.533 4.453 4.570 . 0 0 "[ . 1 . 2 ]" 1
853 1 44 ASP H 1 45 ILE H 2.500 . 2.900 2.513 2.413 2.572 . 0 0 "[ . 1 . 2 ]" 1
854 1 45 ILE H 1 46 ARG H 4.000 . 5.000 3.795 3.638 3.970 . 0 0 "[ . 1 . 2 ]" 1
855 1 46 ARG H 1 47 ILE H 4.000 . 5.000 4.558 4.496 4.592 . 0 0 "[ . 1 . 2 ]" 1
856 1 51 VAL H 1 52 VAL H 2.500 . 2.900 2.684 2.411 2.843 . 0 0 "[ . 1 . 2 ]" 1
857 1 52 VAL H 1 53 SER H 4.000 . 5.000 4.617 4.523 4.661 . 0 0 "[ . 1 . 2 ]" 1
858 1 55 GLN H 1 56 HIS H 4.000 . 5.000 3.074 2.934 3.430 . 0 0 "[ . 1 . 2 ]" 1
859 1 56 HIS H 1 57 CYS H 2.500 . 2.900 2.890 2.763 2.955 0.055 6 0 "[ . 1 . 2 ]" 1
860 1 57 CYS H 1 58 LYS H 4.000 . 5.000 4.387 4.343 4.419 . 0 0 "[ . 1 . 2 ]" 1
861 1 58 LYS H 1 59 ILE H 5.000 . 6.000 4.274 4.193 4.425 . 0 0 "[ . 1 . 2 ]" 1
862 1 59 ILE H 1 60 GLU H 4.000 . 5.000 4.196 4.089 4.274 . 0 0 "[ . 1 . 2 ]" 1
863 1 60 GLU H 1 61 ILE H 4.000 . 5.000 4.488 4.328 4.603 . 0 0 "[ . 1 . 2 ]" 1
864 1 64 GLN H 1 65 GLU H 4.000 . 5.000 2.162 1.851 2.587 . 0 0 "[ . 1 . 2 ]" 1
865 1 65 GLU H 1 66 ALA H 5.000 . 6.000 4.403 4.331 4.457 . 0 0 "[ . 1 . 2 ]" 1
866 1 66 ALA H 1 67 ILE H 4.000 . 5.000 4.475 4.346 4.573 . 0 0 "[ . 1 . 2 ]" 1
867 1 67 ILE H 1 68 LEU H 5.000 . 6.000 4.364 4.303 4.432 . 0 0 "[ . 1 . 2 ]" 1
868 1 69 HIS H 1 70 ASN H 5.000 . 6.000 3.380 3.298 3.535 . 0 0 "[ . 1 . 2 ]" 1
869 1 71 PHE H 1 72 SER H 2.500 . 2.900 2.013 1.883 2.126 . 0 0 "[ . 1 . 2 ]" 1
870 1 77 THR H 1 78 GLN H 4.000 . 5.000 4.626 4.595 4.646 . 0 0 "[ . 1 . 2 ]" 1
871 1 78 GLN H 1 79 VAL H 5.000 . 6.000 4.446 4.288 4.489 . 0 0 "[ . 1 . 2 ]" 1
872 1 79 VAL H 1 80 ASN H 4.000 . 5.000 4.334 4.282 4.381 . 0 0 "[ . 1 . 2 ]" 1
873 1 80 ASN H 1 81 GLY H 3.000 . 3.700 2.788 2.662 2.868 . 0 0 "[ . 1 . 2 ]" 1
874 1 81 GLY H 1 82 SER H 3.000 . 3.700 2.483 2.265 2.709 . 0 0 "[ . 1 . 2 ]" 1
875 1 82 SER H 1 83 VAL H 4.000 . 5.000 4.508 4.332 4.631 . 0 0 "[ . 1 . 2 ]" 1
876 1 83 VAL H 1 84 ILE H 4.000 . 5.000 4.541 4.395 4.609 . 0 0 "[ . 1 . 2 ]" 1
877 1 84 ILE H 1 85 ASP H 4.000 . 5.000 4.158 3.874 4.375 . 0 0 "[ . 1 . 2 ]" 1
878 1 85 ASP H 1 86 GLU H 3.000 . 3.700 2.362 2.115 2.632 . 0 0 "[ . 1 . 2 ]" 1
879 1 88 VAL H 1 89 ARG H 4.000 . 5.000 4.443 4.420 4.460 . 0 0 "[ . 1 . 2 ]" 1
880 1 89 ARG H 1 90 LEU H 5.000 . 6.000 4.568 4.505 4.611 . 0 0 "[ . 1 . 2 ]" 1
881 1 90 LEU H 1 91 LYS H 4.000 . 5.000 4.463 4.307 4.536 . 0 0 "[ . 1 . 2 ]" 1
882 1 92 HIS H 1 93 GLY H 5.000 . 6.000 4.578 4.542 4.627 . 0 0 "[ . 1 . 2 ]" 1
883 1 93 GLY H 1 94 ASP H 2.500 . 2.900 2.428 2.292 2.667 . 0 0 "[ . 1 . 2 ]" 1
884 1 95 VAL H 1 96 ILE H 4.000 . 5.000 4.413 4.353 4.533 . 0 0 "[ . 1 . 2 ]" 1
885 1 96 ILE H 1 97 THR H 4.000 . 5.000 4.435 4.382 4.478 . 0 0 "[ . 1 . 2 ]" 1
886 1 98 ILE H 1 99 ILE H 4.000 . 5.000 4.189 4.070 4.303 . 0 0 "[ . 1 . 2 ]" 1
887 1 99 ILE H 1 100 ASP H 4.000 . 5.000 2.794 2.693 2.860 . 0 0 "[ . 1 . 2 ]" 1
888 1 100 ASP H 1 101 ARG H 2.500 . 2.900 1.969 1.776 2.221 0.024 10 0 "[ . 1 . 2 ]" 1
889 1 102 SER H 1 103 PHE H 4.000 . 5.000 4.428 4.319 4.539 . 0 0 "[ . 1 . 2 ]" 1
890 1 103 PHE H 1 104 ARG H 4.000 . 5.000 4.414 4.366 4.461 . 0 0 "[ . 1 . 2 ]" 1
891 1 104 ARG H 1 105 TYR H 4.000 . 5.000 4.435 4.297 4.515 . 0 0 "[ . 1 . 2 ]" 1
892 1 105 TYR H 1 106 GLU H 4.000 . 5.000 4.185 4.055 4.505 . 0 0 "[ . 1 . 2 ]" 1
893 1 106 GLU H 1 107 ASN H 4.000 . 5.000 4.346 4.238 4.457 . 0 0 "[ . 1 . 2 ]" 1
894 1 107 ASN H 1 108 GLU H 4.000 . 5.000 4.131 3.727 4.517 . 0 0 "[ . 1 . 2 ]" 1
895 1 12 THR HA 1 13 ARG H 2.500 . 2.900 2.570 2.156 3.171 0.271 5 0 "[ . 1 . 2 ]" 1
896 1 13 ARG HA 1 14 ARG H 2.500 . 2.900 2.219 2.162 2.306 . 0 0 "[ . 1 . 2 ]" 1
897 1 15 LEU HA 1 16 VAL H 2.500 . 2.900 2.203 2.159 2.253 . 0 0 "[ . 1 . 2 ]" 1
898 1 16 VAL HA 1 17 THR H 2.500 . 2.900 2.168 2.126 2.262 . 0 0 "[ . 1 . 2 ]" 1
899 1 17 THR HA 1 18 ILE H 2.500 . 2.900 2.152 2.112 2.376 . 0 0 "[ . 1 . 2 ]" 1
900 1 18 ILE HA 1 19 LYS H 2.500 . 2.900 2.178 2.134 2.239 . 0 0 "[ . 1 . 2 ]" 1
901 1 21 SER HA 1 22 GLY H 4.000 . 5.000 2.680 2.142 3.530 . 0 0 "[ . 1 . 2 ]" 1
902 1 22 GLY HA3 1 23 VAL H 3.000 . 3.700 3.013 2.137 3.589 . 0 0 "[ . 1 . 2 ]" 1
903 1 22 GLY HA2 1 23 VAL H 3.000 . 3.700 3.176 2.139 3.588 . 0 0 "[ . 1 . 2 ]" 1
904 1 23 VAL HA 1 24 ASP H 2.500 . 2.900 2.251 2.108 2.721 . 0 0 "[ . 1 . 2 ]" 1
905 1 24 ASP HA 1 25 GLY H 2.500 . 2.900 2.331 2.132 3.131 0.231 21 0 "[ . 1 . 2 ]" 1
906 1 26 PRO HA 1 27 HIS H 2.500 . 2.900 2.262 2.236 2.361 . 0 0 "[ . 1 . 2 ]" 1
907 1 27 HIS HA 1 28 PHE H 2.500 . 2.900 2.433 2.311 2.619 . 0 0 "[ . 1 . 2 ]" 1
908 1 29 PRO HA 1 30 LEU H 2.500 . 2.900 2.279 2.230 2.326 . 0 0 "[ . 1 . 2 ]" 1
909 1 30 LEU HA 1 31 SER H 3.000 . 3.700 2.214 2.089 2.384 . 0 0 "[ . 1 . 2 ]" 1
910 1 31 SER HA 1 32 LEU H 4.000 . 5.000 3.464 3.280 3.562 . 0 0 "[ . 1 . 2 ]" 1
911 1 33 SER HA 1 34 THR H 3.000 . 3.700 3.460 3.307 3.545 . 0 0 "[ . 1 . 2 ]" 1
912 1 34 THR HA 1 35 CYS H 2.500 . 2.900 2.170 2.129 2.204 . 0 0 "[ . 1 . 2 ]" 1
913 1 35 CYS HA 1 36 LEU H 2.500 . 2.900 2.159 2.127 2.203 . 0 0 "[ . 1 . 2 ]" 1
914 1 36 LEU HA 1 37 PHE H 2.500 . 2.900 2.176 2.129 2.253 . 0 0 "[ . 1 . 2 ]" 1
915 1 37 PHE HA 1 38 GLY H 2.500 . 2.900 2.274 2.222 2.311 . 0 0 "[ . 1 . 2 ]" 1
916 1 38 GLY QA 1 39 ARG H 3.000 . 4.700 2.223 2.151 2.278 . 0 0 "[ . 1 . 2 ]" 1
917 1 39 ARG HA 1 40 GLY H 4.000 . 5.000 3.517 3.297 3.557 . 0 0 "[ . 1 . 2 ]" 1
918 1 40 GLY QA 1 41 ILE H 3.000 . 4.700 2.179 2.128 2.252 . 0 0 "[ . 1 . 2 ]" 1
919 1 42 GLU HA 1 43 CYS H 4.000 . 5.000 3.431 3.368 3.504 . 0 0 "[ . 1 . 2 ]" 1
920 1 43 CYS HA 1 44 ASP H 2.500 . 2.900 2.160 2.098 2.201 . 0 0 "[ . 1 . 2 ]" 1
921 1 45 ILE HA 1 46 ARG H 2.500 . 2.900 2.300 2.228 2.376 . 0 0 "[ . 1 . 2 ]" 1
922 1 46 ARG HA 1 47 ILE H 2.500 . 2.900 2.147 2.095 2.185 . 0 0 "[ . 1 . 2 ]" 1
923 1 48 GLN HA 1 49 LEU H 2.500 . 2.900 2.327 2.297 2.362 . 0 0 "[ . 1 . 2 ]" 1
924 1 50 PRO HA 1 51 VAL H 4.000 . 5.000 3.529 3.420 3.571 . 0 0 "[ . 1 . 2 ]" 1
925 1 51 VAL HA 1 52 VAL H 4.000 . 5.000 3.503 3.211 3.588 . 0 0 "[ . 1 . 2 ]" 1
926 1 52 VAL HA 1 53 SER H 2.500 . 2.900 2.308 2.193 2.445 . 0 0 "[ . 1 . 2 ]" 1
927 1 54 LYS HA 1 55 GLN H 4.000 . 5.000 3.511 3.490 3.532 . 0 0 "[ . 1 . 2 ]" 1
928 1 56 HIS HA 1 57 CYS H 3.000 . 3.700 3.580 3.547 3.597 . 0 0 "[ . 1 . 2 ]" 1
929 1 57 CYS HA 1 58 LYS H 2.500 . 2.900 2.379 2.271 2.545 . 0 0 "[ . 1 . 2 ]" 1
930 1 58 LYS HA 1 59 ILE H 2.500 . 2.900 2.154 2.123 2.266 . 0 0 "[ . 1 . 2 ]" 1
931 1 59 ILE HA 1 60 GLU H 2.500 . 2.900 2.156 2.082 2.225 . 0 0 "[ . 1 . 2 ]" 1
932 1 60 GLU HA 1 61 ILE H 2.500 . 2.900 2.183 2.113 2.300 . 0 0 "[ . 1 . 2 ]" 1
933 1 65 GLU HA 1 66 ALA H 2.500 . 2.900 2.302 2.180 2.672 . 0 0 "[ . 1 . 2 ]" 1
934 1 66 ALA HA 1 67 ILE H 2.500 . 2.900 2.217 2.155 2.281 . 0 0 "[ . 1 . 2 ]" 1
935 1 67 ILE HA 1 68 LEU H 2.500 . 2.900 2.149 2.113 2.187 . 0 0 "[ . 1 . 2 ]" 1
936 1 68 LEU HA 1 69 HIS H 4.000 . 5.000 2.228 2.163 2.287 . 0 0 "[ . 1 . 2 ]" 1
937 1 69 HIS HA 1 70 ASN H 3.000 . 3.700 2.328 2.282 2.359 . 0 0 "[ . 1 . 2 ]" 1
938 1 70 ASN HA 1 71 PHE H 2.500 . 2.900 2.148 2.128 2.169 . 0 0 "[ . 1 . 2 ]" 1
939 1 71 PHE HA 1 72 SER H 4.000 . 5.000 3.502 3.418 3.547 . 0 0 "[ . 1 . 2 ]" 1
940 1 76 PRO HA 1 77 THR H 2.500 . 2.900 2.227 2.195 2.268 . 0 0 "[ . 1 . 2 ]" 1
941 1 77 THR HA 1 78 GLN H 2.500 . 2.900 2.406 2.237 2.504 . 0 0 "[ . 1 . 2 ]" 1
942 1 78 GLN HA 1 79 VAL H 2.500 . 2.900 2.217 2.109 2.282 . 0 0 "[ . 1 . 2 ]" 1
943 1 79 VAL HA 1 80 ASN H 2.500 . 2.900 2.159 2.136 2.186 . 0 0 "[ . 1 . 2 ]" 1
944 1 81 GLY HA3 1 82 SER H 3.000 . 3.700 3.318 3.100 3.480 . 0 0 "[ . 1 . 2 ]" 1
945 1 81 GLY HA2 1 82 SER H 3.000 . 3.700 3.243 3.058 3.465 . 0 0 "[ . 1 . 2 ]" 1
946 1 83 VAL HA 1 84 ILE H 3.000 . 3.700 2.173 2.093 2.293 . 0 0 "[ . 1 . 2 ]" 1
947 1 84 ILE HA 1 85 ASP H 3.000 . 3.700 2.211 2.147 2.354 . 0 0 "[ . 1 . 2 ]" 1
948 1 85 ASP HA 1 86 GLU H 3.000 . 3.700 3.446 3.202 3.545 . 0 0 "[ . 1 . 2 ]" 1
949 1 87 PRO HA 1 88 VAL H 2.500 . 2.900 2.223 2.205 2.256 . 0 0 "[ . 1 . 2 ]" 1
950 1 88 VAL HA 1 89 ARG H 2.500 . 2.900 2.355 2.311 2.390 . 0 0 "[ . 1 . 2 ]" 1
951 1 89 ARG HA 1 90 LEU H 2.500 . 2.900 2.203 2.167 2.255 . 0 0 "[ . 1 . 2 ]" 1
952 1 90 LEU HA 1 91 LYS H 2.500 . 2.900 2.170 2.103 2.243 . 0 0 "[ . 1 . 2 ]" 1
953 1 92 HIS HA 1 93 GLY H 2.500 . 2.900 2.170 2.141 2.225 . 0 0 "[ . 1 . 2 ]" 1
954 1 93 GLY HA3 1 94 ASP H 3.000 . 3.700 3.284 3.167 3.447 . 0 0 "[ . 1 . 2 ]" 1
955 1 93 GLY HA2 1 94 ASP H 3.000 . 3.700 3.289 3.112 3.385 . 0 0 "[ . 1 . 2 ]" 1
956 1 94 ASP HA 1 95 VAL H 2.500 . 2.900 2.266 2.139 2.428 . 0 0 "[ . 1 . 2 ]" 1
957 1 95 VAL HA 1 96 ILE H 2.500 . 2.900 2.163 2.136 2.196 . 0 0 "[ . 1 . 2 ]" 1
958 1 96 ILE HA 1 97 THR H 2.500 . 2.900 2.170 2.139 2.214 . 0 0 "[ . 1 . 2 ]" 1
959 1 97 THR HA 1 98 ILE H 2.500 . 2.900 2.118 2.071 2.155 . 0 0 "[ . 1 . 2 ]" 1
960 1 98 ILE HA 1 99 ILE H 3.000 . 3.700 3.038 2.928 3.115 . 0 0 "[ . 1 . 2 ]" 1
961 1 99 ILE HA 1 100 ASP H 4.000 . 5.000 3.590 3.560 3.613 . 0 0 "[ . 1 . 2 ]" 1
962 1 100 ASP HA 1 101 ARG H 4.000 . 5.000 3.196 3.080 3.354 . 0 0 "[ . 1 . 2 ]" 1
963 1 101 ARG HA 1 102 SER H 2.500 . 2.900 2.277 2.155 2.366 . 0 0 "[ . 1 . 2 ]" 1
964 1 102 SER HA 1 103 PHE H 2.500 . 2.900 2.180 2.090 2.266 . 0 0 "[ . 1 . 2 ]" 1
965 1 103 PHE HA 1 104 ARG H 2.500 . 2.900 2.244 2.179 2.303 . 0 0 "[ . 1 . 2 ]" 1
966 1 104 ARG HA 1 105 TYR H 2.500 . 2.900 2.195 2.116 2.238 . 0 0 "[ . 1 . 2 ]" 1
967 1 105 TYR HA 1 106 GLU H 2.500 . 2.900 2.169 2.134 2.226 . 0 0 "[ . 1 . 2 ]" 1
968 1 107 ASN HA 1 108 GLU H 3.000 . 3.700 2.225 2.155 2.519 . 0 0 "[ . 1 . 2 ]" 1
969 1 14 ARG HB3 1 15 LEU H 4.000 . 5.000 3.271 2.590 4.130 . 0 0 "[ . 1 . 2 ]" 1
970 1 14 ARG HB2 1 15 LEU H 4.000 . 5.000 3.686 2.684 4.219 . 0 0 "[ . 1 . 2 ]" 1
971 1 15 LEU HB3 1 16 VAL H 4.000 . 5.000 3.455 3.118 3.968 . 0 0 "[ . 1 . 2 ]" 1
972 1 15 LEU HB2 1 16 VAL H 4.000 . 5.000 4.241 4.069 4.481 . 0 0 "[ . 1 . 2 ]" 1
973 1 16 VAL HB 1 17 THR H 4.000 . 5.000 4.148 3.890 4.272 . 0 0 "[ . 1 . 2 ]" 1
974 1 21 SER QB 1 22 GLY H 4.000 . 6.000 3.387 1.774 3.984 0.026 3 0 "[ . 1 . 2 ]" 1
975 1 23 VAL HB 1 24 ASP H 3.000 . 3.700 3.216 1.894 3.942 0.242 20 0 "[ . 1 . 2 ]" 1
976 1 24 ASP QB 1 25 GLY H 4.000 . 6.000 3.084 1.715 3.953 0.085 10 0 "[ . 1 . 2 ]" 1
977 1 27 HIS HB3 1 28 PHE H 4.000 . 5.000 2.409 1.995 2.757 . 0 0 "[ . 1 . 2 ]" 1
978 1 27 HIS HB2 1 28 PHE H 4.000 . 5.000 3.370 3.122 3.629 . 0 0 "[ . 1 . 2 ]" 1
979 1 29 PRO HB3 1 30 LEU H 4.000 . 5.000 3.519 3.254 3.876 . 0 0 "[ . 1 . 2 ]" 1
980 1 29 PRO HB2 1 30 LEU H 4.000 . 5.000 3.429 2.984 3.761 . 0 0 "[ . 1 . 2 ]" 1
981 1 30 LEU QB 1 31 SER H 4.000 . 6.000 3.589 3.008 4.025 . 0 0 "[ . 1 . 2 ]" 1
982 1 31 SER HB3 1 32 LEU H 4.000 . 5.000 3.777 2.560 4.272 . 0 0 "[ . 1 . 2 ]" 1
983 1 31 SER HB2 1 32 LEU H 4.000 . 5.000 3.383 2.114 4.386 . 0 0 "[ . 1 . 2 ]" 1
984 1 33 SER QB 1 34 THR H 3.000 . 4.700 3.607 3.347 3.825 . 0 0 "[ . 1 . 2 ]" 1
985 1 34 THR HB 1 35 CYS H 3.000 . 3.700 3.477 2.911 3.755 0.055 6 0 "[ . 1 . 2 ]" 1
986 1 36 LEU QB 1 37 PHE H 4.000 . 6.000 3.616 3.457 3.708 . 0 0 "[ . 1 . 2 ]" 1
987 1 39 ARG HB3 1 40 GLY H 5.000 . 6.000 3.505 2.586 4.223 . 0 0 "[ . 1 . 2 ]" 1
988 1 39 ARG HB2 1 40 GLY H 5.000 . 6.000 2.986 2.552 4.346 . 0 0 "[ . 1 . 2 ]" 1
989 1 41 ILE HB 1 42 GLU H 4.000 . 5.000 3.873 3.604 4.044 . 0 0 "[ . 1 . 2 ]" 1
990 1 42 GLU QB 1 43 CYS H 4.000 . 6.000 3.433 2.881 3.801 . 0 0 "[ . 1 . 2 ]" 1
991 1 43 CYS QB 1 44 ASP H 4.000 . 6.000 3.175 3.018 3.341 . 0 0 "[ . 1 . 2 ]" 1
992 1 44 ASP HB3 1 45 ILE H 4.000 . 5.000 3.487 2.646 3.680 . 0 0 "[ . 1 . 2 ]" 1
993 1 44 ASP HB2 1 45 ILE H 4.000 . 5.000 2.748 2.601 3.706 . 0 0 "[ . 1 . 2 ]" 1
994 1 45 ILE HB 1 46 ARG H 5.000 . 6.000 4.429 4.349 4.481 . 0 0 "[ . 1 . 2 ]" 1
995 1 46 ARG HB3 1 47 ILE H 5.000 . 6.000 3.850 3.018 4.211 . 0 0 "[ . 1 . 2 ]" 1
996 1 46 ARG HB2 1 47 ILE H 5.000 . 6.000 4.187 4.063 4.319 . 0 0 "[ . 1 . 2 ]" 1
997 1 48 GLN HB3 1 49 LEU H 4.000 . 5.000 4.274 4.126 4.514 . 0 0 "[ . 1 . 2 ]" 1
998 1 48 GLN HB2 1 49 LEU H 4.000 . 5.000 4.468 4.146 4.607 . 0 0 "[ . 1 . 2 ]" 1
999 1 50 PRO HB3 1 51 VAL H 4.000 . 5.000 4.118 3.974 4.411 . 0 0 "[ . 1 . 2 ]" 1
1000 1 50 PRO HB2 1 51 VAL H 4.000 . 5.000 2.939 2.620 3.798 . 0 0 "[ . 1 . 2 ]" 1
1001 1 51 VAL HB 1 52 VAL H 4.000 . 5.000 3.886 3.610 4.431 . 0 0 "[ . 1 . 2 ]" 1
1002 1 54 LYS QB 1 55 GLN H 3.000 . 4.700 2.572 2.459 2.718 . 0 0 "[ . 1 . 2 ]" 1
1003 1 55 GLN QB 1 56 HIS H 4.000 . 6.000 3.902 3.874 3.939 . 0 0 "[ . 1 . 2 ]" 1
1004 1 56 HIS QB 1 57 CYS H 3.000 . 4.700 2.247 1.894 2.399 . 0 0 "[ . 1 . 2 ]" 1
1005 1 57 CYS QB 1 58 LYS H 2.500 . 3.900 2.872 2.334 3.337 . 0 0 "[ . 1 . 2 ]" 1
1006 1 58 LYS QB 1 59 ILE H 3.000 . 4.700 3.530 2.510 3.779 . 0 0 "[ . 1 . 2 ]" 1
1007 1 60 GLU QB 1 61 ILE H 4.000 . 6.000 3.584 2.723 3.896 . 0 0 "[ . 1 . 2 ]" 1
1008 1 61 ILE HB 1 62 HIS H 4.000 . 5.000 4.301 4.075 4.458 . 0 0 "[ . 1 . 2 ]" 1
1009 1 65 GLU HB3 1 66 ALA H 4.000 . 5.000 3.156 1.798 4.092 0.002 2 0 "[ . 1 . 2 ]" 1
1010 1 65 GLU HB2 1 66 ALA H 4.000 . 5.000 3.712 2.459 4.110 . 0 0 "[ . 1 . 2 ]" 1
1011 1 66 ALA MB 1 67 ILE H 3.000 . 5.200 3.010 2.811 3.218 . 0 0 "[ . 1 . 2 ]" 1
1012 1 69 HIS HB3 1 70 ASN H 4.000 . 5.000 4.185 4.141 4.220 . 0 0 "[ . 1 . 2 ]" 1
1013 1 69 HIS HB2 1 70 ASN H 4.000 . 5.000 4.546 4.463 4.593 . 0 0 "[ . 1 . 2 ]" 1
1014 1 70 ASN HB3 1 71 PHE H 4.000 . 5.000 4.082 3.247 4.282 . 0 0 "[ . 1 . 2 ]" 1
1015 1 70 ASN HB2 1 71 PHE H 4.000 . 5.000 4.100 3.938 4.362 . 0 0 "[ . 1 . 2 ]" 1
1016 1 71 PHE HB3 1 72 SER H 4.000 . 5.000 3.919 3.668 4.234 . 0 0 "[ . 1 . 2 ]" 1
1017 1 71 PHE HB2 1 72 SER H 4.000 . 5.000 2.751 2.557 3.214 . 0 0 "[ . 1 . 2 ]" 1
1018 1 76 PRO HB3 1 77 THR H 4.000 . 5.000 3.752 3.648 3.814 . 0 0 "[ . 1 . 2 ]" 1
1019 1 76 PRO HB2 1 77 THR H 4.000 . 5.000 3.075 2.978 3.162 . 0 0 "[ . 1 . 2 ]" 1
1020 1 77 THR HB 1 78 GLN H 4.000 . 5.000 3.725 3.472 3.983 . 0 0 "[ . 1 . 2 ]" 1
1021 1 78 GLN QB 1 79 VAL H 4.000 . 6.000 2.807 2.576 3.201 . 0 0 "[ . 1 . 2 ]" 1
1022 1 82 SER QB 1 83 VAL H 3.000 . 4.700 3.068 2.198 3.759 . 0 0 "[ . 1 . 2 ]" 1
1023 1 83 VAL HB 1 84 ILE H 3.000 . 3.700 3.863 2.707 4.100 0.400 5 0 "[ . 1 . 2 ]" 1
1024 1 84 ILE HB 1 85 ASP H 4.000 . 5.000 4.410 4.256 4.497 . 0 0 "[ . 1 . 2 ]" 1
1025 1 85 ASP QB 1 86 GLU H 3.000 . 4.700 2.918 2.456 3.917 . 0 0 "[ . 1 . 2 ]" 1
1026 1 87 PRO QB 1 88 VAL H 3.000 . 4.700 3.202 3.111 3.294 . 0 0 "[ . 1 . 2 ]" 1
1027 1 88 VAL HB 1 89 ARG H 3.000 . 3.700 2.496 2.377 2.608 . 0 0 "[ . 1 . 2 ]" 1
1028 1 89 ARG HB3 1 90 LEU H 4.000 . 5.000 4.031 3.905 4.136 . 0 0 "[ . 1 . 2 ]" 1
1029 1 89 ARG HB2 1 90 LEU H 4.000 . 5.000 4.144 4.017 4.245 . 0 0 "[ . 1 . 2 ]" 1
1030 1 90 LEU HB3 1 91 LYS H 4.000 . 5.000 3.113 2.756 4.438 . 0 0 "[ . 1 . 2 ]" 1
1031 1 90 LEU HB2 1 91 LYS H 4.000 . 5.000 4.013 3.127 4.347 . 0 0 "[ . 1 . 2 ]" 1
1032 1 91 LYS HB3 1 92 HIS H 4.000 . 5.000 3.052 2.542 4.024 . 0 0 "[ . 1 . 2 ]" 1
1033 1 91 LYS HB2 1 92 HIS H 4.000 . 5.000 3.687 2.131 4.180 . 0 0 "[ . 1 . 2 ]" 1
1034 1 92 HIS HB3 1 93 GLY H 4.000 . 5.000 4.203 3.801 4.277 . 0 0 "[ . 1 . 2 ]" 1
1035 1 92 HIS HB2 1 93 GLY H 4.000 . 5.000 4.065 3.888 4.217 . 0 0 "[ . 1 . 2 ]" 1
1036 1 94 ASP HB3 1 95 VAL H 4.000 . 5.000 3.258 2.434 4.287 . 0 0 "[ . 1 . 2 ]" 1
1037 1 94 ASP HB2 1 95 VAL H 4.000 . 5.000 4.027 3.739 4.306 . 0 0 "[ . 1 . 2 ]" 1
1038 1 95 VAL HB 1 96 ILE H 4.000 . 5.000 4.171 3.206 4.297 . 0 0 "[ . 1 . 2 ]" 1
1039 1 96 ILE HB 1 97 THR H 3.000 . 3.700 4.042 3.947 4.093 0.393 18 0 "[ . 1 . 2 ]" 1
1040 1 97 THR HB 1 98 ILE H 4.000 . 5.000 4.191 4.083 4.324 . 0 0 "[ . 1 . 2 ]" 1
1041 1 98 ILE HB 1 99 ILE H 4.000 . 5.000 2.561 2.114 2.968 . 0 0 "[ . 1 . 2 ]" 1
1042 1 99 ILE HB 1 100 ASP H 3.000 . 3.700 2.631 2.452 2.720 . 0 0 "[ . 1 . 2 ]" 1
1043 1 101 ARG QB 1 102 SER H 3.000 . 4.700 2.820 2.370 3.738 . 0 0 "[ . 1 . 2 ]" 1
1044 1 102 SER HB3 1 103 PHE H 4.000 . 5.000 3.250 2.675 4.040 . 0 0 "[ . 1 . 2 ]" 1
1045 1 102 SER HB2 1 103 PHE H 4.000 . 5.000 3.838 2.752 4.311 . 0 0 "[ . 1 . 2 ]" 1
1046 1 103 PHE QB 1 104 ARG H 3.000 . 4.700 2.845 2.686 3.183 . 0 0 "[ . 1 . 2 ]" 1
1047 1 104 ARG QB 1 105 TYR H 4.000 . 6.000 3.069 2.893 3.369 . 0 0 "[ . 1 . 2 ]" 1
1048 1 107 ASN QB 1 108 GLU H 3.000 . 4.700 3.729 2.229 4.043 . 0 0 "[ . 1 . 2 ]" 1
1049 1 12 THR MG 1 13 ARG H 4.000 . 6.500 3.318 1.732 4.268 0.068 7 0 "[ . 1 . 2 ]" 1
1050 1 15 LEU HA 1 16 VAL QG 5.000 . 8.500 3.692 3.244 3.853 . 0 0 "[ . 1 . 2 ]" 1
1051 1 15 LEU MD1 1 16 VAL H 4.000 . 6.500 4.387 2.385 5.329 . 0 0 "[ . 1 . 2 ]" 1
1052 1 15 LEU MD2 1 16 VAL H 4.000 . 6.500 3.690 3.137 4.271 . 0 0 "[ . 1 . 2 ]" 1
1053 1 16 VAL QG 1 17 THR H 4.000 . 7.500 2.328 1.880 2.556 . 0 0 "[ . 1 . 2 ]" 1
1054 1 17 THR MG 1 18 ILE H 4.000 . 6.500 2.741 1.919 3.048 . 0 0 "[ . 1 . 2 ]" 1
1055 1 18 ILE MG 1 19 LYS H 4.000 . 6.500 2.542 2.174 3.103 . 0 0 "[ . 1 . 2 ]" 1
1056 1 18 ILE MD 1 19 LYS H 5.000 . 7.500 5.084 3.873 5.375 . 0 0 "[ . 1 . 2 ]" 1
1057 1 23 VAL QG 1 24 ASP H 3.000 . 6.200 2.915 1.826 3.721 . 0 0 "[ . 1 . 2 ]" 1
1058 1 28 PHE QD 1 29 PRO HD3 4.000 . 7.000 4.531 4.269 4.780 . 0 0 "[ . 1 . 2 ]" 1
1059 1 28 PHE QD 1 29 PRO HD2 4.000 . 7.000 3.792 3.120 4.264 . 0 0 "[ . 1 . 2 ]" 1
1060 1 28 PHE QE 1 29 PRO HD3 5.000 . 8.000 5.837 5.284 6.120 . 0 0 "[ . 1 . 2 ]" 1
1061 1 28 PHE QE 1 29 PRO HD2 5.000 . 8.000 4.630 3.812 5.121 . 0 0 "[ . 1 . 2 ]" 1
1062 1 30 LEU HG 1 31 SER H 4.000 . 6.000 4.874 3.083 5.909 . 0 0 "[ . 1 . 2 ]" 1
1063 1 30 LEU QD 1 31 SER H 4.000 . 7.500 3.495 2.377 4.310 . 0 0 "[ . 1 . 2 ]" 1
1064 1 31 SER HA 1 32 LEU QD 5.000 . 8.500 4.478 3.750 5.603 . 0 0 "[ . 1 . 2 ]" 1
1065 1 31 SER QB 1 32 LEU QD 4.000 . 8.500 3.263 2.071 4.698 . 0 0 "[ . 1 . 2 ]" 1
1066 1 34 THR MG 1 35 CYS H 4.000 . 6.500 3.977 3.648 4.250 . 0 0 "[ . 1 . 2 ]" 1
1067 1 35 CYS HA 1 36 LEU QB 4.000 . 6.000 4.030 3.938 4.131 . 0 0 "[ . 1 . 2 ]" 1
1068 1 35 CYS HG 1 36 LEU H 5.000 . 6.000 4.488 3.436 5.374 . 0 0 "[ . 1 . 2 ]" 1
1069 1 36 LEU H 1 37 PHE QD 5.000 . 8.000 4.511 4.173 5.423 . 0 0 "[ . 1 . 2 ]" 1
1070 1 36 LEU H 1 37 PHE QE 5.000 . 8.000 4.984 4.655 5.833 . 0 0 "[ . 1 . 2 ]" 1
1071 1 36 LEU HA 1 37 PHE QD 2.500 . 4.700 2.822 2.585 3.321 . 0 0 "[ . 1 . 2 ]" 1
1072 1 36 LEU HA 1 37 PHE QE 4.000 . 7.000 4.363 4.078 4.654 . 0 0 "[ . 1 . 2 ]" 1
1073 1 36 LEU QD 1 37 PHE H 4.000 . 7.500 2.009 1.747 2.894 0.053 6 0 "[ . 1 . 2 ]" 1
1074 1 37 PHE HA 1 38 GLY QA 6.000 . 8.000 3.962 3.926 3.996 . 0 0 "[ . 1 . 2 ]" 1
1075 1 37 PHE QD 1 38 GLY H 3.000 . 5.700 4.173 3.990 4.372 . 0 0 "[ . 1 . 2 ]" 1
1076 1 37 PHE QE 1 38 GLY H 5.000 . 8.000 6.099 5.977 6.259 . 0 0 "[ . 1 . 2 ]" 1
1077 1 38 GLY H 1 39 ARG HA 5.000 . 6.000 4.870 4.576 4.993 . 0 0 "[ . 1 . 2 ]" 1
1078 1 41 ILE HG13 1 42 GLU H 4.000 . 5.000 4.676 4.085 4.965 . 0 0 "[ . 1 . 2 ]" 1
1079 1 41 ILE HG12 1 42 GLU H 4.000 . 5.000 4.258 3.867 5.013 0.013 8 0 "[ . 1 . 2 ]" 1
1080 1 41 ILE MG 1 42 GLU H 3.000 . 5.200 1.939 1.775 2.101 0.025 12 0 "[ . 1 . 2 ]" 1
1081 1 41 ILE MD 1 42 GLU H 5.000 . 7.500 4.656 3.536 4.884 . 0 0 "[ . 1 . 2 ]" 1
1082 1 42 GLU H 1 43 CYS QB 5.000 . 7.000 5.000 4.749 5.220 . 0 0 "[ . 1 . 2 ]" 1
1083 1 44 ASP H 1 45 ILE HG13 5.000 . 6.000 5.418 4.539 5.670 . 0 0 "[ . 1 . 2 ]" 1
1084 1 44 ASP H 1 45 ILE HG12 5.000 . 6.000 4.283 3.890 4.744 . 0 0 "[ . 1 . 2 ]" 1
1085 1 44 ASP H 1 45 ILE MG 6.000 . 8.500 5.885 5.783 5.945 . 0 0 "[ . 1 . 2 ]" 1
1086 1 44 ASP HA 1 45 ILE HG13 5.000 . 6.000 6.149 5.535 6.299 0.299 6 0 "[ . 1 . 2 ]" 1
1087 1 44 ASP HA 1 45 ILE HG12 5.000 . 6.000 4.533 4.442 4.751 . 0 0 "[ . 1 . 2 ]" 1
1088 1 44 ASP HA 1 45 ILE MD 4.000 . 6.500 5.141 4.113 6.043 . 0 0 "[ . 1 . 2 ]" 1
1089 1 44 ASP HB3 1 45 ILE HG13 4.000 . 5.000 4.565 3.387 4.869 . 0 0 "[ . 1 . 2 ]" 1
1090 1 44 ASP HB3 1 45 ILE HG12 4.000 . 5.000 3.057 2.599 3.432 . 0 0 "[ . 1 . 2 ]" 1
1091 1 44 ASP HB2 1 45 ILE HG13 4.000 . 5.000 4.170 3.490 5.097 0.097 22 0 "[ . 1 . 2 ]" 1
1092 1 44 ASP HB2 1 45 ILE HG12 4.000 . 5.000 2.919 2.526 4.315 . 0 0 "[ . 1 . 2 ]" 1
1093 1 44 ASP HB3 1 45 ILE MG 5.000 . 7.500 5.350 5.043 5.597 . 0 0 "[ . 1 . 2 ]" 1
1094 1 44 ASP HB2 1 45 ILE MG 5.000 . 7.500 5.380 5.086 6.397 . 0 0 "[ . 1 . 2 ]" 1
1095 1 44 ASP HB3 1 45 ILE MD 4.000 . 6.500 3.757 2.875 4.483 . 0 0 "[ . 1 . 2 ]" 1
1096 1 44 ASP HB2 1 45 ILE MD 4.000 . 6.500 4.205 3.170 5.515 . 0 0 "[ . 1 . 2 ]" 1
1097 1 45 ILE H 1 46 ARG HA 5.000 . 6.000 4.655 4.579 4.728 . 0 0 "[ . 1 . 2 ]" 1
1098 1 45 ILE HA 1 46 ARG HB3 5.000 . 6.000 4.989 4.652 5.818 . 0 0 "[ . 1 . 2 ]" 1
1099 1 45 ILE HA 1 46 ARG HB2 5.000 . 6.000 4.731 4.495 4.868 . 0 0 "[ . 1 . 2 ]" 1
1100 1 45 ILE HG13 1 46 ARG H 5.000 . 6.000 5.871 5.560 5.931 . 0 0 "[ . 1 . 2 ]" 1
1101 1 45 ILE HG12 1 46 ARG H 5.000 . 6.000 4.856 4.666 5.129 . 0 0 "[ . 1 . 2 ]" 1
1102 1 45 ILE MG 1 46 ARG H 4.000 . 6.500 3.636 3.434 3.784 . 0 0 "[ . 1 . 2 ]" 1
1103 1 45 ILE MG 1 46 ARG HA 4.000 . 6.500 4.610 4.461 4.799 . 0 0 "[ . 1 . 2 ]" 1
1104 1 45 ILE MG 1 46 ARG QB 5.000 . 8.500 4.790 4.664 4.922 . 0 0 "[ . 1 . 2 ]" 1
1105 1 45 ILE MD 1 46 ARG H 4.000 . 6.500 4.405 4.059 5.298 . 0 0 "[ . 1 . 2 ]" 1
1106 1 45 ILE MD 1 46 ARG HA 5.000 . 7.500 6.191 5.945 6.603 . 0 0 "[ . 1 . 2 ]" 1
1107 1 45 ILE MD 1 46 ARG HB3 5.000 . 7.500 6.614 6.144 7.574 0.074 15 0 "[ . 1 . 2 ]" 1
1108 1 45 ILE MD 1 46 ARG HB2 5.000 . 7.500 6.470 5.963 7.388 . 0 0 "[ . 1 . 2 ]" 1
1109 1 46 ARG HA 1 47 ILE MG 5.000 . 7.500 5.416 5.389 5.460 . 0 0 "[ . 1 . 2 ]" 1
1110 1 46 ARG QG 1 47 ILE H 4.000 . 6.000 2.954 2.481 3.995 . 0 0 "[ . 1 . 2 ]" 1
1111 1 46 ARG QD 1 47 ILE H 5.000 . 7.000 4.816 4.471 5.527 . 0 0 "[ . 1 . 2 ]" 1
1112 1 50 PRO QG 1 51 VAL H 4.000 . 6.000 3.594 2.656 3.978 . 0 0 "[ . 1 . 2 ]" 1
1113 1 50 PRO HD3 1 51 VAL H 4.000 . 5.000 4.096 3.946 4.231 . 0 0 "[ . 1 . 2 ]" 1
1114 1 50 PRO HD2 1 51 VAL H 4.000 . 5.000 2.935 2.814 3.070 . 0 0 "[ . 1 . 2 ]" 1
1115 1 51 VAL H 1 52 VAL QG 4.000 . 7.500 4.144 3.860 4.322 . 0 0 "[ . 1 . 2 ]" 1
1116 1 51 VAL MG1 1 52 VAL H 4.000 . 6.500 4.019 3.832 4.197 . 0 0 "[ . 1 . 2 ]" 1
1117 1 51 VAL MG2 1 52 VAL H 4.000 . 6.500 2.133 1.733 2.953 0.067 9 0 "[ . 1 . 2 ]" 1
1118 1 52 VAL QG 1 53 SER H 3.000 . 6.200 2.056 1.678 2.477 0.122 11 0 "[ . 1 . 2 ]" 1
1119 1 55 GLN QG 1 56 HIS H 5.000 . 7.000 4.478 4.304 4.761 . 0 0 "[ . 1 . 2 ]" 1
1120 1 57 CYS H 1 58 LYS HA 5.000 . 6.000 4.705 4.561 4.787 . 0 0 "[ . 1 . 2 ]" 1
1121 1 58 LYS HA 1 59 ILE MG 4.000 . 6.500 5.417 5.336 5.452 . 0 0 "[ . 1 . 2 ]" 1
1122 1 58 LYS HA 1 59 ILE MD 5.000 . 7.500 4.835 3.051 5.410 . 0 0 "[ . 1 . 2 ]" 1
1123 1 58 LYS QG 1 59 ILE H 4.000 . 6.000 2.892 2.456 3.895 . 0 0 "[ . 1 . 2 ]" 1
1124 1 60 GLU HA 1 61 ILE HB 4.000 . 5.000 4.316 4.073 4.652 . 0 0 "[ . 1 . 2 ]" 1
1125 1 60 GLU HG3 1 61 ILE H 4.000 . 5.000 3.474 2.541 4.960 . 0 0 "[ . 1 . 2 ]" 1
1126 1 60 GLU HG2 1 61 ILE H 4.000 . 5.000 3.220 2.314 4.309 . 0 0 "[ . 1 . 2 ]" 1
1127 1 61 ILE HG13 1 62 HIS H 4.000 . 5.000 3.642 2.273 5.292 0.292 4 0 "[ . 1 . 2 ]" 1
1128 1 61 ILE HG12 1 62 HIS H 4.000 . 5.000 4.533 3.581 5.100 0.100 4 0 "[ . 1 . 2 ]" 1
1129 1 61 ILE MG 1 62 HIS H 4.000 . 6.500 2.987 2.203 3.636 . 0 0 "[ . 1 . 2 ]" 1
1130 1 61 ILE MD 1 62 HIS H 4.000 . 6.500 3.770 3.111 5.157 . 0 0 "[ . 1 . 2 ]" 1
1131 1 63 GLU QG 1 64 GLN H 4.000 . 6.000 3.888 2.488 4.524 . 0 0 "[ . 1 . 2 ]" 1
1132 1 65 GLU QG 1 66 ALA H 4.000 . 6.000 3.253 1.804 4.414 . 0 0 "[ . 1 . 2 ]" 1
1133 1 66 ALA HA 1 67 ILE HB 4.000 . 5.000 4.497 4.217 4.669 . 0 0 "[ . 1 . 2 ]" 1
1134 1 66 ALA HA 1 67 ILE QG 4.000 . 6.000 3.733 3.195 4.914 . 0 0 "[ . 1 . 2 ]" 1
1135 1 67 ILE QG 1 68 LEU H 4.000 . 6.000 4.426 3.592 4.740 . 0 0 "[ . 1 . 2 ]" 1
1136 1 67 ILE MG 1 68 LEU H 3.000 . 5.200 2.559 2.120 2.828 . 0 0 "[ . 1 . 2 ]" 1
1137 1 67 ILE MG 1 68 LEU HA 5.000 . 8.500 4.075 3.630 4.331 . 0 0 "[ . 1 . 2 ]" 1
1138 1 67 ILE MD 1 68 LEU H 4.000 . 6.500 3.897 3.502 4.597 . 0 0 "[ . 1 . 2 ]" 1
1139 1 68 LEU QD 1 69 HIS HD2 5.000 . 8.500 5.166 4.771 5.703 . 0 0 "[ . 1 . 2 ]" 1
1140 1 69 HIS H 1 70 ASN QB 4.000 . 5.000 4.649 4.404 5.078 0.078 13 0 "[ . 1 . 2 ]" 1
1141 1 69 HIS H 1 70 ASN QD 5.000 . 6.000 6.107 5.897 6.215 0.215 3 0 "[ . 1 . 2 ]" 1
1142 1 70 ASN QD 1 71 PHE H 5.000 . 7.000 3.143 2.640 3.444 . 0 0 "[ . 1 . 2 ]" 1
1143 1 76 PRO HA 1 77 THR MG 4.000 . 6.500 5.463 5.425 5.495 . 0 0 "[ . 1 . 2 ]" 1
1144 1 77 THR HG1 1 78 GLN H 4.000 . 5.000 4.469 4.268 4.677 . 0 0 "[ . 1 . 2 ]" 1
1145 1 77 THR MG 1 78 GLN H 3.000 . 5.200 1.859 1.706 2.293 0.094 5 0 "[ . 1 . 2 ]" 1
1146 1 77 THR MG 1 78 GLN HA 4.000 . 6.500 3.758 3.617 3.965 . 0 0 "[ . 1 . 2 ]" 1
1147 1 78 GLN QG 1 79 VAL H 4.000 . 6.000 3.832 3.755 3.948 . 0 0 "[ . 1 . 2 ]" 1
1148 1 79 VAL QG 1 80 ASN H 3.000 . 6.200 2.366 2.154 2.541 . 0 0 "[ . 1 . 2 ]" 1
1149 1 79 VAL QG 1 80 ASN HA 4.000 . 7.500 3.744 3.616 3.857 . 0 0 "[ . 1 . 2 ]" 1
1150 1 79 VAL QG 1 80 ASN QB 4.000 . 8.500 2.548 2.318 2.952 . 0 0 "[ . 1 . 2 ]" 1
1151 1 79 VAL QG 1 80 ASN HD21 4.000 . 7.500 2.502 1.933 3.879 . 0 0 "[ . 1 . 2 ]" 1
1152 1 79 VAL QG 1 80 ASN HD22 4.000 . 7.500 2.983 2.356 3.802 . 0 0 "[ . 1 . 2 ]" 1
1153 1 80 ASN H 1 81 GLY QA 5.000 . 7.000 4.667 4.533 4.732 . 0 0 "[ . 1 . 2 ]" 1
1154 1 82 SER H 1 83 VAL QG 5.000 . 8.500 5.084 4.729 5.258 . 0 0 "[ . 1 . 2 ]" 1
1155 1 82 SER HA 1 83 VAL QG 4.000 . 7.500 3.644 3.314 3.899 . 0 0 "[ . 1 . 2 ]" 1
1156 1 83 VAL HA 1 84 ILE MD 5.000 . 7.500 4.480 4.043 4.809 . 0 0 "[ . 1 . 2 ]" 1
1157 1 83 VAL MG1 1 84 ILE H 4.000 . 6.500 2.125 1.777 3.599 0.023 13 0 "[ . 1 . 2 ]" 1
1158 1 83 VAL MG2 1 84 ILE H 4.000 . 6.500 3.778 3.659 4.010 . 0 0 "[ . 1 . 2 ]" 1
1159 1 84 ILE QG 1 85 ASP H 4.000 . 6.000 4.417 4.122 4.829 . 0 0 "[ . 1 . 2 ]" 1
1160 1 84 ILE MG 1 85 ASP H 3.000 . 5.200 3.159 2.689 3.655 . 0 0 "[ . 1 . 2 ]" 1
1161 1 84 ILE MD 1 85 ASP H 4.000 . 6.500 4.999 3.670 5.588 . 0 0 "[ . 1 . 2 ]" 1
1162 1 86 GLU H 1 87 PRO HD3 4.000 . 5.000 4.783 4.649 4.851 . 0 0 "[ . 1 . 2 ]" 1
1163 1 86 GLU H 1 87 PRO HD2 4.000 . 5.000 5.020 4.939 5.103 0.103 7 0 "[ . 1 . 2 ]" 1
1164 1 87 PRO QG 1 88 VAL H 4.000 . 6.000 4.679 4.635 4.727 . 0 0 "[ . 1 . 2 ]" 1
1165 1 88 VAL QG 1 89 ARG H 3.000 . 6.200 3.219 3.147 3.271 . 0 0 "[ . 1 . 2 ]" 1
1166 1 89 ARG HA 1 90 LEU MD1 4.000 . 6.500 4.339 2.725 5.735 . 0 0 "[ . 1 . 2 ]" 1
1167 1 89 ARG HA 1 90 LEU MD2 4.000 . 6.500 4.699 2.326 5.895 . 0 0 "[ . 1 . 2 ]" 1
1168 1 89 ARG HG3 1 90 LEU H 4.000 . 5.000 2.812 2.497 3.036 . 0 0 "[ . 1 . 2 ]" 1
1169 1 89 ARG HG2 1 90 LEU H 4.000 . 5.000 2.675 2.404 2.872 . 0 0 "[ . 1 . 2 ]" 1
1170 1 90 LEU QD 1 91 LYS H 3.000 . 6.200 3.494 2.198 4.287 . 0 0 "[ . 1 . 2 ]" 1
1171 1 92 HIS HD2 1 93 GLY H 4.000 . 5.000 4.670 3.331 5.059 0.059 11 0 "[ . 1 . 2 ]" 1
1172 1 92 HIS HE1 1 93 GLY H 5.000 . 6.000 3.977 3.462 4.512 . 0 0 "[ . 1 . 2 ]" 1
1173 1 93 GLY H 1 94 ASP HB3 5.000 . 6.000 5.338 4.464 6.005 0.005 20 0 "[ . 1 . 2 ]" 1
1174 1 93 GLY H 1 94 ASP HB2 5.000 . 6.000 4.603 4.264 5.083 . 0 0 "[ . 1 . 2 ]" 1
1175 1 95 VAL MG1 1 96 ILE H 4.000 . 6.500 2.897 2.251 4.096 . 0 0 "[ . 1 . 2 ]" 1
1176 1 95 VAL MG2 1 96 ILE H 4.000 . 6.500 3.482 2.189 3.995 . 0 0 "[ . 1 . 2 ]" 1
1177 1 96 ILE MG 1 97 THR H 3.000 . 5.200 2.333 1.969 2.668 . 0 0 "[ . 1 . 2 ]" 1
1178 1 96 ILE MG 1 97 THR HA 5.000 . 7.500 3.683 3.494 3.813 . 0 0 "[ . 1 . 2 ]" 1
1179 1 96 ILE MG 1 97 THR HB 4.000 . 6.500 4.619 4.391 4.901 . 0 0 "[ . 1 . 2 ]" 1
1180 1 97 THR HA 1 98 ILE MG 5.000 . 7.500 5.407 5.370 5.448 . 0 0 "[ . 1 . 2 ]" 1
1181 1 97 THR HA 1 98 ILE MD 5.000 . 7.500 4.307 3.334 4.863 . 0 0 "[ . 1 . 2 ]" 1
1182 1 98 ILE HA 1 99 ILE HA 4.000 . 5.000 4.386 4.354 4.425 . 0 0 "[ . 1 . 2 ]" 1
1183 1 98 ILE MG 1 99 ILE H 4.000 . 6.500 1.588 1.496 1.770 0.304 20 0 "[ . 1 . 2 ]" 1
1184 1 98 ILE MG 1 99 ILE MG 4.000 . 8.000 4.209 4.130 4.371 . 0 0 "[ . 1 . 2 ]" 1
1185 1 98 ILE MD 1 99 ILE H 5.000 . 7.500 4.001 3.924 4.177 . 0 0 "[ . 1 . 2 ]" 1
1186 1 99 ILE MG 1 100 ASP H 3.000 . 5.200 3.264 3.196 3.328 . 0 0 "[ . 1 . 2 ]" 1
1187 1 99 ILE MG 1 100 ASP HA 4.000 . 6.500 3.875 3.743 4.046 . 0 0 "[ . 1 . 2 ]" 1
1188 1 99 ILE MD 1 100 ASP H 4.000 . 6.500 4.506 4.432 4.616 . 0 0 "[ . 1 . 2 ]" 1
1189 1 100 ASP H 1 101 ARG QB 4.000 . 6.000 3.775 3.476 4.034 . 0 0 "[ . 1 . 2 ]" 1
1190 1 101 ARG QG 1 102 SER H 3.000 . 4.700 3.638 1.803 4.495 . 0 0 "[ . 1 . 2 ]" 1
1191 1 101 ARG QD 1 102 SER H 3.000 . 4.700 4.378 3.349 4.907 0.207 23 0 "[ . 1 . 2 ]" 1
1192 1 102 SER HA 1 103 PHE QB 5.000 . 7.000 4.221 4.132 4.319 . 0 0 "[ . 1 . 2 ]" 1
1193 1 102 SER HA 1 103 PHE QD 4.000 . 7.000 3.093 2.726 3.455 . 0 0 "[ . 1 . 2 ]" 1
1194 1 102 SER HA 1 103 PHE QE 4.000 . 7.000 4.670 4.076 5.245 . 0 0 "[ . 1 . 2 ]" 1
1195 1 103 PHE QD 1 104 ARG H 4.000 . 7.000 3.892 3.697 4.141 . 0 0 "[ . 1 . 2 ]" 1
1196 1 103 PHE QE 1 104 ARG H 5.000 . 8.000 5.886 5.662 6.081 . 0 0 "[ . 1 . 2 ]" 1
1197 1 105 TYR QD 1 106 GLU H 3.000 . 5.700 2.593 2.317 3.267 . 0 0 "[ . 1 . 2 ]" 1
1198 1 105 TYR QE 1 106 GLU H 4.000 . 7.000 4.341 3.835 4.845 . 0 0 "[ . 1 . 2 ]" 1
1199 1 106 GLU HG3 1 107 ASN H 4.000 . 5.000 4.164 2.793 4.973 . 0 0 "[ . 1 . 2 ]" 1
1200 1 106 GLU HG2 1 107 ASN H 4.000 . 5.000 4.096 3.329 5.073 0.073 22 0 "[ . 1 . 2 ]" 1
1201 1 38 GLY H 1 40 GLY H 5.000 . 6.000 5.443 5.022 5.678 . 0 0 "[ . 1 . 2 ]" 1
1202 1 40 GLY H 1 42 GLU H 5.000 . 6.000 5.478 5.032 5.749 . 0 0 "[ . 1 . 2 ]" 1
1203 1 49 LEU H 1 51 VAL H 5.000 . 6.000 5.237 4.960 5.371 . 0 0 "[ . 1 . 2 ]" 1
1204 1 69 HIS H 1 71 PHE H 5.000 . 6.000 6.140 6.016 6.221 0.221 23 0 "[ . 1 . 2 ]" 1
1205 1 79 VAL H 1 81 GLY H 5.000 . 6.000 3.705 3.309 3.910 . 0 0 "[ . 1 . 2 ]" 1
1206 1 80 ASN H 1 82 SER H 5.000 . 6.000 4.166 3.963 4.508 . 0 0 "[ . 1 . 2 ]" 1
1207 1 99 ILE H 1 101 ARG H 4.000 . 5.000 3.767 3.601 3.899 . 0 0 "[ . 1 . 2 ]" 1
1208 1 23 VAL HA 1 25 GLY H 5.000 . 6.000 5.861 3.806 6.218 0.218 12 0 "[ . 1 . 2 ]" 1
1209 1 32 LEU HA 1 34 THR H 4.000 . 5.000 3.894 3.691 4.224 . 0 0 "[ . 1 . 2 ]" 1
1210 1 34 THR HA 1 36 LEU H 5.000 . 6.000 5.923 5.737 6.086 0.086 11 0 "[ . 1 . 2 ]" 1
1211 1 43 CYS HA 1 45 ILE H 3.000 . 3.700 3.756 3.477 3.847 0.147 16 0 "[ . 1 . 2 ]" 1
1212 1 47 ILE HA 1 49 LEU H 5.000 . 6.000 4.901 4.792 5.024 . 0 0 "[ . 1 . 2 ]" 1
1213 1 68 LEU HA 1 70 ASN H 4.000 . 5.000 5.012 4.929 5.117 0.117 6 0 "[ . 1 . 2 ]" 1
1214 1 80 ASN HA 1 82 SER H 5.000 . 6.000 4.416 4.201 4.617 . 0 0 "[ . 1 . 2 ]" 1
1215 1 83 VAL HA 1 85 ASP H 4.000 . 6.000 5.602 5.116 5.994 . 0 0 "[ . 1 . 2 ]" 1
1216 1 84 ILE HA 1 86 GLU H 4.000 . 6.000 3.519 3.276 3.807 . 0 0 "[ . 1 . 2 ]" 1
1217 1 92 HIS HA 1 94 ASP H 3.000 . 3.700 3.287 3.136 3.410 . 0 0 "[ . 1 . 2 ]" 1
1218 1 14 ARG QD 1 16 VAL QG 3.000 . 7.000 3.953 2.716 4.650 . 0 0 "[ . 1 . 2 ]" 1
1219 1 28 PHE QD 1 30 LEU QD 4.000 . 9.500 2.707 2.148 3.907 . 0 0 "[ . 1 . 2 ]" 1
1220 1 28 PHE QE 1 30 LEU QD 4.000 . 9.500 2.961 2.202 4.368 . 0 0 "[ . 1 . 2 ]" 1
1221 1 32 LEU HB3 1 34 THR H 4.000 . 5.000 2.684 2.331 4.013 . 0 0 "[ . 1 . 2 ]" 1
1222 1 32 LEU HB2 1 34 THR H 4.000 . 5.000 3.568 3.015 4.761 . 0 0 "[ . 1 . 2 ]" 1
1223 1 34 THR MG 1 36 LEU QB 4.000 . 7.500 5.610 5.322 5.849 . 0 0 "[ . 1 . 2 ]" 1
1224 1 35 CYS H 1 37 PHE QE 5.000 . 8.000 5.256 4.894 6.079 . 0 0 "[ . 1 . 2 ]" 1
1225 1 35 CYS HA 1 37 PHE QD 4.000 . 7.000 5.555 5.170 6.388 . 0 0 "[ . 1 . 2 ]" 1
1226 1 35 CYS HA 1 37 PHE QE 4.000 . 7.000 5.119 4.768 6.074 . 0 0 "[ . 1 . 2 ]" 1
1227 1 35 CYS HB3 1 37 PHE QE 5.000 . 8.000 2.887 2.293 4.898 . 0 0 "[ . 1 . 2 ]" 1
1228 1 35 CYS HB2 1 37 PHE QE 5.000 . 8.000 3.986 2.663 5.635 . 0 0 "[ . 1 . 2 ]" 1
1229 1 35 CYS HG 1 37 PHE QE 3.000 . 5.500 4.399 2.289 5.243 . 0 0 "[ . 1 . 2 ]" 1
1230 1 35 CYS HG 1 37 PHE HZ 5.000 . 6.000 4.961 2.761 5.900 . 0 0 "[ . 1 . 2 ]" 1
1231 1 45 ILE MG 1 47 ILE H 5.000 . 7.500 5.013 4.775 5.359 . 0 0 "[ . 1 . 2 ]" 1
1232 1 45 ILE MG 1 47 ILE HA 5.000 . 7.500 4.719 4.477 4.956 . 0 0 "[ . 1 . 2 ]" 1
1233 1 45 ILE MG 1 47 ILE HG13 4.000 . 6.500 3.006 2.786 3.330 . 0 0 "[ . 1 . 2 ]" 1
1234 1 45 ILE MG 1 47 ILE HG12 4.000 . 6.500 3.431 3.176 3.769 . 0 0 "[ . 1 . 2 ]" 1
1235 1 45 ILE MG 1 47 ILE MD 3.000 . 6.500 3.317 3.145 3.682 . 0 0 "[ . 1 . 2 ]" 1
1236 1 47 ILE H 1 49 LEU QD 4.000 . 7.500 6.572 5.929 6.864 . 0 0 "[ . 1 . 2 ]" 1
1237 1 47 ILE MG 1 49 LEU H 3.000 . 5.000 3.024 2.833 3.314 . 0 0 "[ . 1 . 2 ]" 1
1238 1 49 LEU QB 1 51 VAL H 4.000 . 6.000 3.070 2.732 3.390 . 0 0 "[ . 1 . 2 ]" 1
1239 1 49 LEU HG 1 51 VAL H 5.000 . 6.000 4.433 3.006 5.837 . 0 0 "[ . 1 . 2 ]" 1
1240 1 49 LEU MD1 1 51 VAL H 5.000 . 7.500 4.411 2.100 5.165 . 0 0 "[ . 1 . 2 ]" 1
1241 1 49 LEU MD2 1 51 VAL H 5.000 . 7.500 3.551 2.660 4.929 . 0 0 "[ . 1 . 2 ]" 1
1242 1 53 SER QB 1 55 GLN H 4.000 . 6.000 2.850 2.384 3.665 . 0 0 "[ . 1 . 2 ]" 1
1243 1 65 GLU QB 1 67 ILE MD 4.000 . 7.500 2.944 2.244 3.564 . 0 0 "[ . 1 . 2 ]" 1
1244 1 65 GLU QG 1 67 ILE MD 4.000 . 7.500 3.407 2.110 4.543 . 0 0 "[ . 1 . 2 ]" 1
1245 1 67 ILE MG 1 69 HIS HD2 3.000 . 5.000 2.878 2.321 3.430 . 0 0 "[ . 1 . 2 ]" 1
1246 1 67 ILE MG 1 69 HIS HE1 4.000 . 6.500 3.925 3.097 4.773 . 0 0 "[ . 1 . 2 ]" 1
1247 1 68 LEU QD 1 70 ASN QB 5.000 . 9.500 2.454 2.020 2.843 . 0 0 "[ . 1 . 2 ]" 1
1248 1 69 HIS HB3 1 71 PHE QE 5.000 . 8.000 3.640 3.335 4.456 . 0 0 "[ . 1 . 2 ]" 1
1249 1 69 HIS HB2 1 71 PHE QE 5.000 . 8.000 4.102 3.799 4.487 . 0 0 "[ . 1 . 2 ]" 1
1250 1 70 ASN HD21 1 72 SER H 4.000 . 5.000 3.567 2.669 4.168 . 0 0 "[ . 1 . 2 ]" 1
1251 1 70 ASN HD22 1 72 SER H 4.000 . 5.000 3.019 2.577 4.298 . 0 0 "[ . 1 . 2 ]" 1
1252 1 77 THR MG 1 79 VAL QG 3.000 . 7.500 3.313 2.705 4.511 . 0 0 "[ . 1 . 2 ]" 1
1253 1 79 VAL HB 1 81 GLY H 4.000 . 5.000 5.142 4.948 5.297 0.297 6 0 "[ . 1 . 2 ]" 1
1254 1 79 VAL QG 1 81 GLY H 5.000 . 8.500 3.994 3.621 4.184 . 0 0 "[ . 1 . 2 ]" 1
1255 1 80 ASN QB 1 82 SER H 4.000 . 6.000 3.447 3.128 3.860 . 0 0 "[ . 1 . 2 ]" 1
1256 1 82 SER H 1 84 ILE MG 4.000 . 7.500 7.484 7.202 7.692 0.192 23 0 "[ . 1 . 2 ]" 1
1257 1 82 SER H 1 84 ILE MD 5.000 . 7.500 5.344 4.791 5.841 . 0 0 "[ . 1 . 2 ]" 1
1258 1 84 ILE MG 1 86 GLU H 4.000 . 6.500 2.635 1.962 3.158 . 0 0 "[ . 1 . 2 ]" 1
1259 1 84 ILE MD 1 86 GLU H 4.000 . 6.500 5.213 3.938 5.975 . 0 0 "[ . 1 . 2 ]" 1
1260 1 96 ILE MG 1 98 ILE HA 5.000 . 7.500 4.406 4.102 4.671 . 0 0 "[ . 1 . 2 ]" 1
1261 1 96 ILE MG 1 98 ILE QG 4.000 . 7.500 3.311 2.740 4.348 . 0 0 "[ . 1 . 2 ]" 1
1262 1 98 ILE MG 1 100 ASP H 5.000 . 7.500 3.401 3.016 3.786 . 0 0 "[ . 1 . 2 ]" 1
1263 1 99 ILE HB 1 101 ARG H 4.000 . 6.000 4.486 4.279 4.731 . 0 0 "[ . 1 . 2 ]" 1
1264 1 99 ILE MG 1 101 ARG H 4.000 . 6.500 4.860 4.690 4.989 . 0 0 "[ . 1 . 2 ]" 1
1265 1 101 ARG HB3 1 103 PHE QE 4.000 . 7.000 2.561 2.263 3.093 . 0 0 "[ . 1 . 2 ]" 1
1266 1 101 ARG HB2 1 103 PHE QE 4.000 . 7.000 2.882 2.328 4.330 . 0 0 "[ . 1 . 2 ]" 1
1267 1 101 ARG QG 1 103 PHE QE 3.000 . 6.500 3.820 2.234 4.754 . 0 0 "[ . 1 . 2 ]" 1
1268 1 105 TYR QD 1 107 ASN H 4.000 . 7.000 4.695 4.230 5.217 . 0 0 "[ . 1 . 2 ]" 1
1269 1 105 TYR QE 1 107 ASN H 4.000 . 7.000 4.239 3.677 5.068 . 0 0 "[ . 1 . 2 ]" 1
1270 1 105 TYR QE 1 107 ASN QB 3.000 . 6.500 2.721 2.219 4.663 . 0 0 "[ . 1 . 2 ]" 1
1271 1 105 TYR QE 1 107 ASN QD 4.000 . 8.000 3.759 2.028 5.000 . 0 0 "[ . 1 . 2 ]" 1
1272 1 40 GLY H 1 43 CYS H 4.000 . 5.000 4.882 4.162 5.080 0.080 3 0 "[ . 1 . 2 ]" 1
1273 1 43 CYS H 1 46 ARG H 5.000 . 6.000 6.063 5.931 6.231 0.231 17 0 "[ . 1 . 2 ]" 1
1274 1 49 LEU H 1 52 VAL H 5.000 . 6.000 4.535 4.355 4.730 . 0 0 "[ . 1 . 2 ]" 1
1275 1 53 SER H 1 56 HIS H 5.000 . 6.000 4.178 4.029 4.533 . 0 0 "[ . 1 . 2 ]" 1
1276 1 62 HIS H 1 65 GLU H 4.000 . 5.000 3.066 2.793 3.778 . 0 0 "[ . 1 . 2 ]" 1
1277 1 79 VAL H 1 82 SER H 3.000 . 3.700 2.901 2.599 3.483 . 0 0 "[ . 1 . 2 ]" 1
1278 1 91 LYS H 1 94 ASP H 5.000 . 6.000 4.479 4.063 4.863 . 0 0 "[ . 1 . 2 ]" 1
1279 1 98 ILE H 1 101 ARG H 3.000 . 3.700 3.144 2.857 3.406 . 0 0 "[ . 1 . 2 ]" 1
1280 1 32 LEU QD 1 35 CYS HA 3.000 . 6.000 4.685 3.892 5.424 . 0 0 "[ . 1 . 2 ]" 1
1281 1 40 GLY H 1 43 CYS HG 2.500 . 2.900 2.777 2.197 2.966 0.066 11 0 "[ . 1 . 2 ]" 1
1282 1 43 CYS H 1 46 ARG HA 4.000 . 5.000 4.842 4.660 4.991 . 0 0 "[ . 1 . 2 ]" 1
1283 1 43 CYS H 1 46 ARG QG 4.000 . 6.000 4.607 3.421 5.233 . 0 0 "[ . 1 . 2 ]" 1
1284 1 43 CYS H 1 46 ARG QD 4.000 . 6.000 5.401 4.317 6.055 0.055 21 0 "[ . 1 . 2 ]" 1
1285 1 49 LEU H 1 52 VAL HB 4.000 . 5.000 3.799 3.603 4.109 . 0 0 "[ . 1 . 2 ]" 1
1286 1 49 LEU H 1 52 VAL QG 4.000 . 7.500 3.944 3.725 4.316 . 0 0 "[ . 1 . 2 ]" 1
1287 1 49 LEU HB3 1 52 VAL H 4.000 . 5.000 2.601 2.266 3.217 . 0 0 "[ . 1 . 2 ]" 1
1288 1 49 LEU HB2 1 52 VAL H 4.000 . 5.000 3.909 3.216 4.733 . 0 0 "[ . 1 . 2 ]" 1
1289 1 49 LEU QB 1 52 VAL QG 3.000 . 7.000 2.075 1.962 2.340 . 0 0 "[ . 1 . 2 ]" 1
1290 1 49 LEU QD 1 52 VAL QG 3.000 . 8.500 2.701 2.256 3.523 . 0 0 "[ . 1 . 2 ]" 1
1291 1 53 SER H 1 56 HIS HB3 4.000 . 5.000 4.017 3.788 4.341 . 0 0 "[ . 1 . 2 ]" 1
1292 1 53 SER H 1 56 HIS HB2 4.000 . 5.000 2.438 2.223 2.746 . 0 0 "[ . 1 . 2 ]" 1
1293 1 53 SER H 1 56 HIS HD2 5.000 . 6.000 5.149 5.003 5.317 . 0 0 "[ . 1 . 2 ]" 1
1294 1 53 SER H 1 56 HIS HE1 3.000 . 3.700 3.717 3.536 3.843 0.143 5 0 "[ . 1 . 2 ]" 1
1295 1 53 SER H 1 56 HIS HE2 5.000 . 6.000 5.306 5.203 5.424 . 0 0 "[ . 1 . 2 ]" 1
1296 1 62 HIS HB3 1 65 GLU H 4.000 . 5.000 3.516 2.406 4.949 . 0 0 "[ . 1 . 2 ]" 1
1297 1 62 HIS HB2 1 65 GLU H 4.000 . 5.000 3.040 2.315 4.976 . 0 0 "[ . 1 . 2 ]" 1
1298 1 79 VAL H 1 82 SER QB 4.000 . 6.000 3.618 3.217 4.277 . 0 0 "[ . 1 . 2 ]" 1
1299 1 79 VAL HB 1 82 SER H 5.000 . 6.000 4.395 4.022 5.410 . 0 0 "[ . 1 . 2 ]" 1
1300 1 91 LYS H 1 94 ASP HB3 5.000 . 6.000 3.703 2.772 4.245 . 0 0 "[ . 1 . 2 ]" 1
1301 1 91 LYS H 1 94 ASP HB2 5.000 . 6.000 2.992 2.242 3.842 . 0 0 "[ . 1 . 2 ]" 1
1302 1 97 THR MG 1 100 ASP HA 3.000 . 5.000 4.136 3.641 4.699 . 0 0 "[ . 1 . 2 ]" 1
1303 1 98 ILE H 1 101 ARG HB3 4.000 . 6.000 4.670 3.492 5.187 . 0 0 "[ . 1 . 2 ]" 1
1304 1 98 ILE H 1 101 ARG HB2 4.000 . 6.000 4.131 3.434 5.596 . 0 0 "[ . 1 . 2 ]" 1
1305 1 98 ILE MG 1 101 ARG H 5.000 . 7.500 3.935 3.549 4.304 . 0 0 "[ . 1 . 2 ]" 1
1306 1 19 LYS H 1 23 VAL H 5.000 . 6.000 4.871 3.416 5.920 . 0 0 "[ . 1 . 2 ]" 1
1307 1 53 SER H 1 57 CYS H 5.000 . 6.000 5.916 5.685 6.080 0.080 8 0 "[ . 1 . 2 ]" 1
1308 1 78 GLN HA 1 82 SER H 4.000 . 5.000 4.654 3.931 5.084 0.084 20 0 "[ . 1 . 2 ]" 1
1309 1 97 THR HA 1 101 ARG H 4.000 . 5.000 4.742 4.405 5.059 0.059 10 0 "[ . 1 . 2 ]" 1
1310 1 18 ILE MG 1 22 GLY H 4.000 . 6.500 3.373 2.251 5.552 . 0 0 "[ . 1 . 2 ]" 1
1311 1 18 ILE MG 1 22 GLY HA3 3.000 . 5.000 4.755 3.932 5.230 0.230 7 0 "[ . 1 . 2 ]" 1
1312 1 18 ILE MG 1 22 GLY HA2 3.000 . 5.000 4.272 2.489 5.136 0.136 12 0 "[ . 1 . 2 ]" 1
1313 1 19 LYS QD 1 23 VAL HB 4.000 . 7.500 5.620 3.274 7.594 0.094 17 0 "[ . 1 . 2 ]" 1
1314 1 19 LYS QD 1 23 VAL QG 3.000 . 7.000 3.964 2.460 6.253 . 0 0 "[ . 1 . 2 ]" 1
1315 1 43 CYS HB3 1 47 ILE H 6.000 . 7.000 5.061 4.382 5.555 . 0 0 "[ . 1 . 2 ]" 1
1316 1 43 CYS HB2 1 47 ILE H 6.000 . 7.000 4.214 3.988 4.457 . 0 0 "[ . 1 . 2 ]" 1
1317 1 52 VAL HA 1 56 HIS HE1 3.000 . 3.500 3.450 3.202 3.596 0.096 21 0 "[ . 1 . 2 ]" 1
1318 1 52 VAL HA 1 56 HIS HE2 4.000 . 5.000 5.161 5.060 5.274 0.274 14 0 "[ . 1 . 2 ]" 1
1319 1 52 VAL QG 1 56 HIS H 4.000 . 7.500 3.621 3.351 3.935 . 0 0 "[ . 1 . 2 ]" 1
1320 1 52 VAL QG 1 56 HIS HB3 4.000 . 7.500 2.881 2.686 3.270 . 0 0 "[ . 1 . 2 ]" 1
1321 1 52 VAL QG 1 56 HIS HB2 4.000 . 7.500 2.120 1.995 2.351 . 0 0 "[ . 1 . 2 ]" 1
1322 1 52 VAL QG 1 56 HIS HE2 5.000 . 8.500 4.195 3.960 4.429 . 0 0 "[ . 1 . 2 ]" 1
1323 1 61 ILE MD 1 65 GLU H 4.000 . 6.500 5.333 4.171 6.739 0.239 23 0 "[ . 1 . 2 ]" 1
1324 1 62 HIS H 1 66 ALA HA 3.000 . 3.700 3.063 2.310 3.623 . 0 0 "[ . 1 . 2 ]" 1
1325 1 72 SER QB 1 76 PRO HA 5.000 . 7.000 2.546 2.253 3.227 . 0 0 "[ . 1 . 2 ]" 1
1326 1 78 GLN QB 1 82 SER H 4.000 . 6.000 3.721 3.288 4.448 . 0 0 "[ . 1 . 2 ]" 1
1327 1 78 GLN QG 1 82 SER H 5.000 . 7.000 5.073 4.524 5.426 . 0 0 "[ . 1 . 2 ]" 1
1328 1 79 VAL H 1 83 VAL HA 3.000 . 3.700 3.871 3.755 4.060 0.360 17 0 "[ . 1 . 2 ]" 1
1329 1 80 ASN H 1 84 ILE MD 6.000 . 8.500 5.547 5.221 5.766 . 0 0 "[ . 1 . 2 ]" 1
1330 1 84 ILE MG 1 88 VAL H 4.000 . 6.500 3.734 3.408 4.070 . 0 0 "[ . 1 . 2 ]" 1
1331 1 84 ILE MD 1 88 VAL H 4.000 . 6.500 4.688 4.179 5.072 . 0 0 "[ . 1 . 2 ]" 1
1332 1 84 ILE MD 1 88 VAL HA 4.000 . 6.500 6.037 5.029 6.635 0.135 13 0 "[ . 1 . 2 ]" 1
1333 1 84 ILE MD 1 88 VAL HB 4.000 . 6.500 4.888 3.746 5.627 . 0 0 "[ . 1 . 2 ]" 1
1334 1 84 ILE MD 1 88 VAL QG 2.500 . 6.700 2.475 1.804 2.955 . 0 0 "[ . 1 . 2 ]" 1
1335 1 90 LEU QD 1 94 ASP H 4.000 . 7.500 4.825 3.629 5.270 . 0 0 "[ . 1 . 2 ]" 1
1336 1 90 LEU QD 1 94 ASP HB3 4.000 . 7.500 2.894 1.978 3.659 . 0 0 "[ . 1 . 2 ]" 1
1337 1 90 LEU QD 1 94 ASP HB2 4.000 . 7.500 3.364 2.575 4.013 . 0 0 "[ . 1 . 2 ]" 1
1338 1 98 ILE H 1 102 SER HA 3.000 . 3.700 3.329 2.778 3.718 0.018 8 0 "[ . 1 . 2 ]" 1
1339 1 98 ILE MG 1 102 SER H 5.000 . 7.500 6.915 6.519 7.327 . 0 0 "[ . 1 . 2 ]" 1
1340 1 98 ILE MD 1 102 SER H 4.000 . 6.500 5.793 4.905 6.510 0.010 21 0 "[ . 1 . 2 ]" 1
1341 1 98 ILE MD 1 102 SER HA 5.000 . 7.500 4.831 4.125 5.171 . 0 0 "[ . 1 . 2 ]" 1
1342 1 14 ARG H 1 14 ARG QG 4.000 . 6.000 2.993 2.107 4.122 . 0 0 "[ . 1 . 2 ]" 1
1343 1 14 ARG H 1 14 ARG QD 5.000 . 7.000 4.513 3.884 5.171 . 0 0 "[ . 1 . 2 ]" 1
1344 1 14 ARG QB 1 14 ARG QD 3.000 . 5.500 2.204 2.089 2.312 . 0 0 "[ . 1 . 2 ]" 1
1345 1 15 LEU H 1 15 LEU HG 4.000 . 5.000 3.385 2.651 4.536 . 0 0 "[ . 1 . 2 ]" 1
1346 1 15 LEU H 1 15 LEU QD 4.000 . 7.500 3.484 2.554 3.811 . 0 0 "[ . 1 . 2 ]" 1
1347 1 16 VAL H 1 16 VAL HB 3.000 . 3.700 2.570 2.467 2.844 . 0 0 "[ . 1 . 2 ]" 1
1348 1 16 VAL H 1 16 VAL QG 3.000 . 6.200 2.767 2.168 2.941 . 0 0 "[ . 1 . 2 ]" 1
1349 1 16 VAL HA 1 16 VAL QG 3.000 . 5.000 2.057 2.010 2.128 . 0 0 "[ . 1 . 2 ]" 1
1350 1 17 THR H 1 17 THR HB 4.000 . 5.000 2.502 2.363 2.600 . 0 0 "[ . 1 . 2 ]" 1
1351 1 17 THR H 1 17 THR MG 4.000 . 6.500 3.787 3.701 3.832 . 0 0 "[ . 1 . 2 ]" 1
1352 1 18 ILE H 1 18 ILE HA 3.000 . 3.700 2.884 2.843 2.952 . 0 0 "[ . 1 . 2 ]" 1
1353 1 18 ILE H 1 18 ILE HB 3.000 . 3.700 2.474 2.395 2.689 . 0 0 "[ . 1 . 2 ]" 1
1354 1 18 ILE H 1 18 ILE QG 4.000 . 5.000 2.200 1.747 2.814 0.053 7 0 "[ . 1 . 2 ]" 1
1355 1 18 ILE H 1 18 ILE MG 4.000 . 6.500 3.744 3.719 3.778 . 0 0 "[ . 1 . 2 ]" 1
1356 1 19 LYS H 1 19 LYS QG 4.000 . 5.000 3.151 1.933 3.985 . 0 0 "[ . 1 . 2 ]" 1
1357 1 19 LYS QB 1 19 LYS QE 3.000 . 5.500 3.441 2.163 3.649 . 0 0 "[ . 1 . 2 ]" 1
1358 1 23 VAL H 1 23 VAL HB 3.000 . 3.700 3.467 2.618 3.811 0.111 22 0 "[ . 1 . 2 ]" 1
1359 1 23 VAL H 1 23 VAL QG 3.000 . 5.200 2.011 1.777 2.579 0.023 10 0 "[ . 1 . 2 ]" 1
1360 1 23 VAL HA 1 23 VAL HB 3.000 . 3.500 2.596 2.368 3.025 . 0 0 "[ . 1 . 2 ]" 1
1361 1 23 VAL HA 1 23 VAL QG 3.000 . 5.000 2.218 2.045 2.403 . 0 0 "[ . 1 . 2 ]" 1
1362 1 24 ASP H 1 24 ASP QB 3.000 . 4.700 2.466 2.249 3.215 . 0 0 "[ . 1 . 2 ]" 1
1363 1 27 HIS H 1 27 HIS HD2 4.000 . 5.000 3.273 2.236 5.035 0.035 10 0 "[ . 1 . 2 ]" 1
1364 1 30 LEU H 1 30 LEU QD 4.000 . 7.500 3.113 1.791 3.822 0.009 12 0 "[ . 1 . 2 ]" 1
1365 1 32 LEU H 1 32 LEU HG 4.000 . 5.000 3.290 2.336 4.446 . 0 0 "[ . 1 . 2 ]" 1
1366 1 32 LEU H 1 32 LEU QD 4.000 . 6.500 3.146 1.925 3.856 . 0 0 "[ . 1 . 2 ]" 1
1367 1 34 THR H 1 34 THR HA 3.000 . 3.700 2.954 2.910 2.967 . 0 0 "[ . 1 . 2 ]" 1
1368 1 34 THR H 1 34 THR HB 3.000 . 3.700 3.687 3.553 3.839 0.139 14 0 "[ . 1 . 2 ]" 1
1369 1 34 THR H 1 34 THR MG 4.000 . 6.500 2.862 2.485 3.156 . 0 0 "[ . 1 . 2 ]" 1
1370 1 34 THR HA 1 34 THR HB 3.000 . 3.500 2.518 2.363 2.610 . 0 0 "[ . 1 . 2 ]" 1
1371 1 34 THR HA 1 34 THR MG 3.000 . 5.200 2.285 2.170 2.449 . 0 0 "[ . 1 . 2 ]" 1
1372 1 36 LEU H 1 36 LEU QB 2.500 . 3.900 2.431 2.358 2.495 . 0 0 "[ . 1 . 2 ]" 1
1373 1 36 LEU H 1 36 LEU QD 4.000 . 7.500 3.871 3.840 3.905 . 0 0 "[ . 1 . 2 ]" 1
1374 1 37 PHE H 1 37 PHE QB 3.000 . 3.700 2.409 2.336 2.522 . 0 0 "[ . 1 . 2 ]" 1
1375 1 37 PHE H 1 37 PHE QD 3.000 . 5.700 2.236 2.043 2.471 . 0 0 "[ . 1 . 2 ]" 1
1376 1 37 PHE H 1 37 PHE QE 4.000 . 7.000 4.540 4.365 4.704 . 0 0 "[ . 1 . 2 ]" 1
1377 1 37 PHE HA 1 37 PHE QD 3.000 . 5.500 3.096 2.974 3.135 . 0 0 "[ . 1 . 2 ]" 1
1378 1 37 PHE HA 1 37 PHE QE 5.000 . 8.000 4.638 4.579 4.716 . 0 0 "[ . 1 . 2 ]" 1
1379 1 37 PHE QB 1 37 PHE QD 2.500 . 4.700 2.150 2.138 2.161 . 0 0 "[ . 1 . 2 ]" 1
1380 1 39 ARG H 1 39 ARG QD 5.000 . 7.000 3.915 3.517 4.398 . 0 0 "[ . 1 . 2 ]" 1
1381 1 40 GLY H 1 40 GLY QA 2.500 . 3.900 2.201 2.185 2.246 . 0 0 "[ . 1 . 2 ]" 1
1382 1 41 ILE H 1 41 ILE HA 3.000 . 3.700 2.839 2.825 2.863 . 0 0 "[ . 1 . 2 ]" 1
1383 1 41 ILE H 1 41 ILE HB 3.000 . 3.700 2.457 2.272 2.651 . 0 0 "[ . 1 . 2 ]" 1
1384 1 41 ILE H 1 41 ILE QG 4.000 . 5.000 3.964 3.899 4.083 . 0 0 "[ . 1 . 2 ]" 1
1385 1 41 ILE H 1 41 ILE MG 3.000 . 5.200 2.164 1.832 2.446 . 0 0 "[ . 1 . 2 ]" 1
1386 1 41 ILE H 1 41 ILE MD 4.000 . 6.500 4.185 3.798 4.357 . 0 0 "[ . 1 . 2 ]" 1
1387 1 41 ILE HA 1 41 ILE HB 3.000 . 3.500 2.520 2.413 2.618 . 0 0 "[ . 1 . 2 ]" 1
1388 1 41 ILE HA 1 41 ILE MG 3.000 . 5.000 3.185 3.169 3.204 . 0 0 "[ . 1 . 2 ]" 1
1389 1 42 GLU H 1 42 GLU HA 3.000 . 3.700 2.782 2.739 2.830 . 0 0 "[ . 1 . 2 ]" 1
1390 1 42 GLU H 1 42 GLU QB 3.000 . 4.700 2.314 2.058 2.527 . 0 0 "[ . 1 . 2 ]" 1
1391 1 42 GLU H 1 42 GLU QG 4.000 . 6.000 2.941 1.911 4.071 . 0 0 "[ . 1 . 2 ]" 1
1392 1 43 CYS H 1 43 CYS HA 3.000 . 3.700 2.871 2.815 2.916 . 0 0 "[ . 1 . 2 ]" 1
1393 1 43 CYS H 1 43 CYS QB 3.000 . 3.700 2.604 2.391 2.805 . 0 0 "[ . 1 . 2 ]" 1
1394 1 43 CYS H 1 43 CYS HG 2.500 . 2.900 2.688 1.798 2.950 0.050 9 0 "[ . 1 . 2 ]" 1
1395 1 45 ILE H 1 45 ILE QG 4.000 . 5.000 2.380 2.167 2.611 . 0 0 "[ . 1 . 2 ]" 1
1396 1 45 ILE H 1 45 ILE MG 3.000 . 5.200 3.829 3.782 3.858 . 0 0 "[ . 1 . 2 ]" 1
1397 1 45 ILE H 1 45 ILE MD 3.000 . 5.200 3.812 3.160 4.144 . 0 0 "[ . 1 . 2 ]" 1
1398 1 45 ILE HA 1 45 ILE MG 3.000 . 5.000 2.234 2.161 2.334 . 0 0 "[ . 1 . 2 ]" 1
1399 1 45 ILE HA 1 45 ILE MD 3.000 . 5.000 2.398 2.180 3.412 . 0 0 "[ . 1 . 2 ]" 1
1400 1 46 ARG H 1 46 ARG QB 3.000 . 4.700 2.281 2.181 2.421 . 0 0 "[ . 1 . 2 ]" 1
1401 1 46 ARG H 1 46 ARG QG 4.000 . 6.000 3.493 2.103 3.967 . 0 0 "[ . 1 . 2 ]" 1
1402 1 46 ARG H 1 46 ARG QD 4.000 . 6.000 4.308 3.621 4.793 . 0 0 "[ . 1 . 2 ]" 1
1403 1 47 ILE H 1 47 ILE HB 4.000 . 5.000 2.591 2.541 2.651 . 0 0 "[ . 1 . 2 ]" 1
1404 1 47 ILE H 1 47 ILE QG 4.000 . 5.000 2.831 2.599 2.958 . 0 0 "[ . 1 . 2 ]" 1
1405 1 47 ILE H 1 47 ILE MG 4.000 . 6.500 3.819 3.790 3.864 . 0 0 "[ . 1 . 2 ]" 1
1406 1 47 ILE H 1 47 ILE MD 4.000 . 6.500 3.920 3.786 3.991 . 0 0 "[ . 1 . 2 ]" 1
1407 1 47 ILE HA 1 47 ILE MD 4.000 . 6.500 3.810 3.792 3.833 . 0 0 "[ . 1 . 2 ]" 1
1408 1 47 ILE HB 1 47 ILE MD 3.000 . 5.000 2.327 2.210 2.377 . 0 0 "[ . 1 . 2 ]" 1
1409 1 49 LEU H 1 49 LEU QD 4.000 . 6.500 3.806 3.501 3.993 . 0 0 "[ . 1 . 2 ]" 1
1410 1 49 LEU HA 1 49 LEU QD 3.000 . 6.000 2.160 1.907 2.663 . 0 0 "[ . 1 . 2 ]" 1
1411 1 51 VAL H 1 51 VAL HA 3.000 . 3.700 2.835 2.813 2.933 . 0 0 "[ . 1 . 2 ]" 1
1412 1 51 VAL H 1 51 VAL HB 3.000 . 3.700 3.596 3.570 3.662 . 0 0 "[ . 1 . 2 ]" 1
1413 1 51 VAL H 1 51 VAL QG 3.000 . 6.200 1.842 1.731 1.983 0.069 17 0 "[ . 1 . 2 ]" 1
1414 1 51 VAL HA 1 51 VAL HB 2.500 . 2.700 2.481 2.427 2.521 . 0 0 "[ . 1 . 2 ]" 1
1415 1 51 VAL HA 1 51 VAL QG 3.000 . 5.000 2.239 2.147 2.332 . 0 0 "[ . 1 . 2 ]" 1
1416 1 52 VAL H 1 52 VAL HB 2.500 . 2.900 2.462 2.321 2.581 . 0 0 "[ . 1 . 2 ]" 1
1417 1 52 VAL H 1 52 VAL QG 3.000 . 6.000 2.446 2.278 2.838 . 0 0 "[ . 1 . 2 ]" 1
1418 1 52 VAL HA 1 52 VAL QG 3.000 . 5.000 2.042 2.010 2.100 . 0 0 "[ . 1 . 2 ]" 1
1419 1 55 GLN H 1 55 GLN QB 3.000 . 4.700 2.563 2.373 2.647 . 0 0 "[ . 1 . 2 ]" 1
1420 1 55 GLN H 1 55 GLN QG 4.000 . 5.000 3.038 2.664 4.149 . 0 0 "[ . 1 . 2 ]" 1
1421 1 57 CYS H 1 57 CYS HA 3.000 . 3.700 2.902 2.854 2.929 . 0 0 "[ . 1 . 2 ]" 1
1422 1 57 CYS H 1 57 CYS QB 3.000 . 4.700 2.907 2.647 3.372 . 0 0 "[ . 1 . 2 ]" 1
1423 1 58 LYS HA 1 58 LYS QB 2.500 . 3.700 2.250 2.158 2.302 . 0 0 "[ . 1 . 2 ]" 1
1424 1 58 LYS HA 1 58 LYS QD 4.000 . 6.000 4.065 3.939 4.513 . 0 0 "[ . 1 . 2 ]" 1
1425 1 59 ILE H 1 59 ILE HB 3.000 . 3.700 2.465 2.357 2.512 . 0 0 "[ . 1 . 2 ]" 1
1426 1 59 ILE HB 1 59 ILE MD 3.000 . 5.200 2.266 2.160 3.168 . 0 0 "[ . 1 . 2 ]" 1
1427 1 60 GLU H 1 60 GLU HA 3.000 . 3.700 2.914 2.886 2.946 . 0 0 "[ . 1 . 2 ]" 1
1428 1 60 GLU H 1 60 GLU QB 3.000 . 3.700 2.321 2.285 2.378 . 0 0 "[ . 1 . 2 ]" 1
1429 1 60 GLU H 1 60 GLU QG 4.000 . 5.000 3.660 2.470 4.003 . 0 0 "[ . 1 . 2 ]" 1
1430 1 60 GLU HA 1 60 GLU QG 3.000 . 3.500 2.358 2.299 2.387 . 0 0 "[ . 1 . 2 ]" 1
1431 1 61 ILE H 1 61 ILE HB 4.000 . 5.000 2.412 2.060 2.632 . 0 0 "[ . 1 . 2 ]" 1
1432 1 61 ILE H 1 61 ILE QG 3.000 . 3.700 3.457 2.418 4.128 0.428 13 0 "[ . 1 . 2 ]" 1
1433 1 61 ILE H 1 61 ILE MD 4.000 . 6.500 3.458 2.217 4.200 . 0 0 "[ . 1 . 2 ]" 1
1434 1 61 ILE HA 1 61 ILE QG 3.000 . 3.500 2.456 2.110 2.978 . 0 0 "[ . 1 . 2 ]" 1
1435 1 61 ILE HA 1 61 ILE MD 3.000 . 5.000 2.431 2.041 3.808 . 0 0 "[ . 1 . 2 ]" 1
1436 1 61 ILE HB 1 61 ILE MD 3.000 . 5.000 2.431 2.098 3.218 . 0 0 "[ . 1 . 2 ]" 1
1437 1 62 HIS H 1 62 HIS HD2 4.000 . 5.000 3.563 2.648 4.080 . 0 0 "[ . 1 . 2 ]" 1
1438 1 64 GLN H 1 64 GLN QG 4.000 . 6.000 3.120 2.132 4.291 . 0 0 "[ . 1 . 2 ]" 1
1439 1 65 GLU H 1 65 GLU QG 3.000 . 4.700 3.441 2.185 4.312 . 0 0 "[ . 1 . 2 ]" 1
1440 1 65 GLU HA 1 65 GLU QG 3.000 . 4.500 2.647 2.268 3.313 . 0 0 "[ . 1 . 2 ]" 1
1441 1 66 ALA H 1 66 ALA HA 3.000 . 3.700 2.949 2.924 2.962 . 0 0 "[ . 1 . 2 ]" 1
1442 1 66 ALA H 1 66 ALA MB 3.000 . 5.200 2.365 2.108 2.469 . 0 0 "[ . 1 . 2 ]" 1
1443 1 67 ILE H 1 67 ILE HA 3.000 . 3.700 2.960 2.951 2.968 . 0 0 "[ . 1 . 2 ]" 1
1444 1 67 ILE H 1 67 ILE HB 3.000 . 3.700 2.603 2.449 2.703 . 0 0 "[ . 1 . 2 ]" 1
1445 1 67 ILE H 1 67 ILE QG 4.000 . 5.000 2.934 2.492 3.871 . 0 0 "[ . 1 . 2 ]" 1
1446 1 67 ILE H 1 67 ILE MG 4.000 . 6.500 3.819 3.659 3.889 . 0 0 "[ . 1 . 2 ]" 1
1447 1 67 ILE H 1 67 ILE MD 3.000 . 5.200 3.333 2.309 3.816 . 0 0 "[ . 1 . 2 ]" 1
1448 1 67 ILE HA 1 67 ILE HB 3.000 . 3.500 3.016 2.991 3.028 . 0 0 "[ . 1 . 2 ]" 1
1449 1 67 ILE HA 1 67 ILE QG 3.000 . 3.500 2.735 2.222 2.980 . 0 0 "[ . 1 . 2 ]" 1
1450 1 67 ILE HB 1 67 ILE MD 3.000 . 5.000 2.969 2.209 3.238 . 0 0 "[ . 1 . 2 ]" 1
1451 1 68 LEU H 1 68 LEU QB 3.000 . 3.700 2.294 2.252 2.375 . 0 0 "[ . 1 . 2 ]" 1
1452 1 68 LEU H 1 68 LEU QD 3.000 . 6.500 3.724 3.679 3.782 . 0 0 "[ . 1 . 2 ]" 1
1453 1 69 HIS H 1 69 HIS HA 2.500 . 2.900 2.934 2.924 2.949 0.049 16 0 "[ . 1 . 2 ]" 1
1454 1 69 HIS H 1 69 HIS QB 3.000 . 4.700 2.582 2.435 2.648 . 0 0 "[ . 1 . 2 ]" 1
1455 1 69 HIS H 1 69 HIS HD2 5.000 . 6.000 3.995 3.312 4.374 . 0 0 "[ . 1 . 2 ]" 1
1456 1 70 ASN H 1 70 ASN QD 5.000 . 7.000 4.513 4.375 4.639 . 0 0 "[ . 1 . 2 ]" 1
1457 1 70 ASN HA 1 70 ASN QD 4.000 . 5.000 2.715 2.392 3.012 . 0 0 "[ . 1 . 2 ]" 1
1458 1 71 PHE H 1 71 PHE QD 4.000 . 7.000 2.309 1.821 2.967 . 0 0 "[ . 1 . 2 ]" 1
1459 1 72 SER H 1 72 SER HA 2.500 . 2.900 2.806 2.765 2.868 . 0 0 "[ . 1 . 2 ]" 1
1460 1 72 SER H 1 72 SER QB 3.000 . 4.700 2.343 2.220 2.664 . 0 0 "[ . 1 . 2 ]" 1
1461 1 77 THR H 1 77 THR HB 3.000 . 3.700 2.435 2.256 2.591 . 0 0 "[ . 1 . 2 ]" 1
1462 1 77 THR H 1 77 THR HG1 3.000 . 3.700 2.231 1.961 2.528 . 0 0 "[ . 1 . 2 ]" 1
1463 1 77 THR H 1 77 THR MG 4.000 . 6.500 3.720 3.683 3.754 . 0 0 "[ . 1 . 2 ]" 1
1464 1 77 THR HA 1 77 THR MG 3.000 . 5.000 2.316 2.201 2.476 . 0 0 "[ . 1 . 2 ]" 1
1465 1 78 GLN H 1 78 GLN QG 4.000 . 6.000 2.936 2.780 3.137 . 0 0 "[ . 1 . 2 ]" 1
1466 1 79 VAL H 1 79 VAL HB 3.000 . 3.700 2.694 2.519 3.090 . 0 0 "[ . 1 . 2 ]" 1
1467 1 79 VAL H 1 79 VAL QG 4.000 . 6.500 2.808 2.152 3.082 . 0 0 "[ . 1 . 2 ]" 1
1468 1 79 VAL HA 1 79 VAL QG 3.000 . 5.000 2.104 2.044 2.246 . 0 0 "[ . 1 . 2 ]" 1
1469 1 80 ASN H 1 80 ASN HA 3.000 . 3.700 2.303 2.290 2.319 . 0 0 "[ . 1 . 2 ]" 1
1470 1 80 ASN H 1 80 ASN QD 5.000 . 6.000 3.721 2.224 4.145 . 0 0 "[ . 1 . 2 ]" 1
1471 1 82 SER H 1 82 SER QB 3.000 . 4.700 2.499 2.233 3.110 . 0 0 "[ . 1 . 2 ]" 1
1472 1 83 VAL H 1 83 VAL HA 3.000 . 3.700 2.884 2.833 2.955 . 0 0 "[ . 1 . 2 ]" 1
1473 1 83 VAL H 1 83 VAL HB 3.000 . 3.700 2.577 2.416 3.584 . 0 0 "[ . 1 . 2 ]" 1
1474 1 83 VAL H 1 83 VAL QG 3.000 . 5.200 2.444 1.814 2.918 . 0 0 "[ . 1 . 2 ]" 1
1475 1 83 VAL HA 1 83 VAL HB 3.000 . 3.500 2.979 2.556 3.024 . 0 0 "[ . 1 . 2 ]" 1
1476 1 83 VAL HA 1 83 VAL QG 3.000 . 5.000 2.064 2.016 2.238 . 0 0 "[ . 1 . 2 ]" 1
1477 1 84 ILE H 1 84 ILE HB 3.000 . 3.700 2.481 2.430 2.569 . 0 0 "[ . 1 . 2 ]" 1
1478 1 84 ILE H 1 84 ILE MG 4.000 . 6.500 3.780 3.745 3.826 . 0 0 "[ . 1 . 2 ]" 1
1479 1 84 ILE H 1 84 ILE MD 4.000 . 6.500 3.676 3.459 3.834 . 0 0 "[ . 1 . 2 ]" 1
1480 1 84 ILE HA 1 84 ILE QG 3.000 . 4.500 2.535 2.348 2.970 . 0 0 "[ . 1 . 2 ]" 1
1481 1 84 ILE HA 1 84 ILE MG 3.000 . 5.000 2.369 2.254 2.452 . 0 0 "[ . 1 . 2 ]" 1
1482 1 84 ILE HA 1 84 ILE MD 4.000 . 6.500 3.382 2.092 3.854 . 0 0 "[ . 1 . 2 ]" 1
1483 1 84 ILE HB 1 84 ILE MD 3.000 . 5.000 2.471 2.162 3.226 . 0 0 "[ . 1 . 2 ]" 1
1484 1 85 ASP H 1 85 ASP HA 3.000 . 3.700 2.900 2.832 2.960 . 0 0 "[ . 1 . 2 ]" 1
1485 1 85 ASP H 1 85 ASP QB 3.000 . 3.700 2.386 2.199 2.958 . 0 0 "[ . 1 . 2 ]" 1
1486 1 86 GLU H 1 86 GLU HA 3.000 . 3.700 2.905 2.784 2.952 . 0 0 "[ . 1 . 2 ]" 1
1487 1 86 GLU H 1 86 GLU QB 3.000 . 3.700 3.076 2.625 3.401 . 0 0 "[ . 1 . 2 ]" 1
1488 1 86 GLU H 1 86 GLU QG 3.000 . 4.700 2.701 2.178 4.053 . 0 0 "[ . 1 . 2 ]" 1
1489 1 86 GLU HA 1 86 GLU QG 3.000 . 4.500 2.818 2.135 3.302 . 0 0 "[ . 1 . 2 ]" 1
1490 1 88 VAL H 1 88 VAL HB 4.000 . 5.000 3.845 3.792 3.884 . 0 0 "[ . 1 . 2 ]" 1
1491 1 88 VAL H 1 88 VAL QG 4.000 . 7.500 2.122 1.844 2.256 . 0 0 "[ . 1 . 2 ]" 1
1492 1 88 VAL HA 1 88 VAL HB 3.000 . 3.500 2.490 2.449 2.532 . 0 0 "[ . 1 . 2 ]" 1
1493 1 88 VAL HA 1 88 VAL QG 2.500 . 5.200 2.211 2.151 2.294 . 0 0 "[ . 1 . 2 ]" 1
1494 1 89 ARG H 1 89 ARG QB 3.000 . 3.700 2.297 2.250 2.356 . 0 0 "[ . 1 . 2 ]" 1
1495 1 89 ARG H 1 89 ARG QG 3.000 . 4.700 3.973 3.942 4.002 . 0 0 "[ . 1 . 2 ]" 1
1496 1 89 ARG H 1 89 ARG QD 4.000 . 6.000 4.571 4.400 4.775 . 0 0 "[ . 1 . 2 ]" 1
1497 1 89 ARG HA 1 89 ARG QG 3.000 . 3.500 2.373 2.335 2.453 . 0 0 "[ . 1 . 2 ]" 1
1498 1 89 ARG QB 1 89 ARG QD 3.000 . 4.500 2.203 2.077 2.329 . 0 0 "[ . 1 . 2 ]" 1
1499 1 90 LEU H 1 90 LEU HG 3.000 . 4.000 2.956 1.918 4.130 0.130 18 0 "[ . 1 . 2 ]" 1
1500 1 90 LEU H 1 90 LEU QD 3.000 . 5.200 2.944 1.825 3.847 . 0 0 "[ . 1 . 2 ]" 1
1501 1 90 LEU HA 1 90 LEU HG 4.000 . 5.000 2.813 2.248 3.642 . 0 0 "[ . 1 . 2 ]" 1
1502 1 90 LEU HA 1 90 LEU QD 3.000 . 6.000 2.377 2.047 3.012 . 0 0 "[ . 1 . 2 ]" 1
1503 1 91 LYS H 1 91 LYS QB 3.000 . 3.700 2.451 2.301 2.860 . 0 0 "[ . 1 . 2 ]" 1
1504 1 91 LYS H 1 91 LYS QG 4.000 . 5.000 2.885 1.902 4.016 . 0 0 "[ . 1 . 2 ]" 1
1505 1 91 LYS QB 1 91 LYS QE 4.000 . 6.000 3.498 2.246 3.644 . 0 0 "[ . 1 . 2 ]" 1
1506 1 91 LYS QE 1 91 LYS QG 3.000 . 4.500 2.146 2.106 2.316 . 0 0 "[ . 1 . 2 ]" 1
1507 1 92 HIS H 1 92 HIS HD2 4.000 . 5.000 5.051 4.952 5.153 0.153 14 0 "[ . 1 . 2 ]" 1
1508 1 92 HIS QB 1 92 HIS HD2 3.000 . 4.500 2.701 2.659 2.865 . 0 0 "[ . 1 . 2 ]" 1
1509 1 94 ASP H 1 94 ASP QB 3.000 . 3.700 2.282 2.232 2.332 . 0 0 "[ . 1 . 2 ]" 1
1510 1 95 VAL H 1 95 VAL HA 3.000 . 3.700 2.957 2.906 2.966 . 0 0 "[ . 1 . 2 ]" 1
1511 1 95 VAL H 1 95 VAL HB 3.000 . 3.700 2.696 2.416 3.758 0.058 8 0 "[ . 1 . 2 ]" 1
1512 1 95 VAL H 1 95 VAL QG 3.000 . 5.200 2.520 1.813 2.884 . 0 0 "[ . 1 . 2 ]" 1
1513 1 96 ILE H 1 96 ILE HA 3.000 . 3.700 2.956 2.949 2.962 . 0 0 "[ . 1 . 2 ]" 1
1514 1 96 ILE H 1 96 ILE HB 3.000 . 3.700 2.576 2.515 2.709 . 0 0 "[ . 1 . 2 ]" 1
1515 1 96 ILE H 1 96 ILE QG 4.000 . 5.000 2.505 2.163 2.692 . 0 0 "[ . 1 . 2 ]" 1
1516 1 96 ILE H 1 96 ILE MG 3.000 . 5.200 3.820 3.796 3.859 . 0 0 "[ . 1 . 2 ]" 1
1517 1 96 ILE HA 1 96 ILE HB 3.000 . 3.500 3.012 3.003 3.020 . 0 0 "[ . 1 . 2 ]" 1
1518 1 97 THR H 1 97 THR HB 3.000 . 3.700 2.697 2.539 2.798 . 0 0 "[ . 1 . 2 ]" 1
1519 1 97 THR H 1 97 THR MG 3.000 . 5.200 3.862 3.695 3.924 . 0 0 "[ . 1 . 2 ]" 1
1520 1 98 ILE H 1 98 ILE HB 3.000 . 3.700 2.556 2.407 2.751 . 0 0 "[ . 1 . 2 ]" 1
1521 1 98 ILE H 1 98 ILE MG 4.000 . 6.500 3.790 3.744 3.851 . 0 0 "[ . 1 . 2 ]" 1
1522 1 98 ILE H 1 98 ILE MD 4.000 . 6.500 3.291 2.586 3.719 . 0 0 "[ . 1 . 2 ]" 1
1523 1 98 ILE HA 1 98 ILE MG 3.000 . 5.000 2.284 2.162 2.394 . 0 0 "[ . 1 . 2 ]" 1
1524 1 98 ILE HB 1 98 ILE MD 3.000 . 5.000 2.590 2.156 3.218 . 0 0 "[ . 1 . 2 ]" 1
1525 1 99 ILE H 1 99 ILE HA 3.000 . 3.700 2.808 2.790 2.833 . 0 0 "[ . 1 . 2 ]" 1
1526 1 99 ILE H 1 99 ILE HB 4.000 . 5.000 2.405 2.371 2.460 . 0 0 "[ . 1 . 2 ]" 1
1527 1 99 ILE H 1 99 ILE QG 4.000 . 5.000 2.215 2.155 2.280 . 0 0 "[ . 1 . 2 ]" 1
1528 1 99 ILE H 1 99 ILE MG 4.000 . 6.500 3.726 3.707 3.752 . 0 0 "[ . 1 . 2 ]" 1
1529 1 99 ILE HA 1 99 ILE MG 3.000 . 5.000 2.364 2.320 2.410 . 0 0 "[ . 1 . 2 ]" 1
1530 1 101 ARG H 1 101 ARG QB 3.000 . 3.700 2.594 2.473 2.698 . 0 0 "[ . 1 . 2 ]" 1
1531 1 101 ARG H 1 101 ARG QG 3.000 . 4.700 3.185 2.842 4.178 . 0 0 "[ . 1 . 2 ]" 1
1532 1 101 ARG H 1 101 ARG QD 3.000 . 4.700 4.393 4.075 4.872 0.172 9 0 "[ . 1 . 2 ]" 1
1533 1 101 ARG HA 1 101 ARG QD 4.000 . 5.000 3.530 2.172 4.167 . 0 0 "[ . 1 . 2 ]" 1
1534 1 103 PHE H 1 103 PHE QB 3.000 . 4.700 2.548 2.418 2.679 . 0 0 "[ . 1 . 2 ]" 1
1535 1 103 PHE H 1 103 PHE QD 3.000 . 5.700 2.750 2.477 3.013 . 0 0 "[ . 1 . 2 ]" 1
1536 1 103 PHE H 1 103 PHE QE 5.000 . 8.000 4.955 4.698 5.221 . 0 0 "[ . 1 . 2 ]" 1
1537 1 104 ARG HA 1 104 ARG QD 4.000 . 5.000 4.149 3.993 4.320 . 0 0 "[ . 1 . 2 ]" 1
1538 1 105 TYR H 1 105 TYR QB 3.000 . 3.700 2.325 2.196 2.384 . 0 0 "[ . 1 . 2 ]" 1
1539 1 105 TYR H 1 105 TYR QD 3.000 . 5.700 4.145 4.054 4.223 . 0 0 "[ . 1 . 2 ]" 1
1540 1 105 TYR H 1 105 TYR QE 5.000 . 8.000 6.064 5.931 6.184 . 0 0 "[ . 1 . 2 ]" 1
1541 1 106 GLU H 1 106 GLU QG 4.000 . 5.000 3.193 2.813 4.047 . 0 0 "[ . 1 . 2 ]" 1
1542 1 107 ASN H 1 107 ASN QB 3.000 . 4.700 2.485 2.349 3.013 . 0 0 "[ . 1 . 2 ]" 1
1543 1 108 GLU H 1 108 GLU HA 3.000 . 3.700 2.896 2.743 2.960 . 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 61
_Distance_constraint_stats_list.Viol_count 201
_Distance_constraint_stats_list.Viol_total 272.336
_Distance_constraint_stats_list.Viol_max 0.210
_Distance_constraint_stats_list.Viol_rms 0.0274
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0084
_Distance_constraint_stats_list.Viol_average_violations_only 0.0589
_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 14 ARG 0.425 0.076 3 0 "[ . 1 . 2 ]"
1 15 LEU 0.227 0.104 14 0 "[ . 1 . 2 ]"
1 16 VAL 0.066 0.031 22 0 "[ . 1 . 2 ]"
1 17 THR 0.564 0.130 22 0 "[ . 1 . 2 ]"
1 18 ILE 0.284 0.087 20 0 "[ . 1 . 2 ]"
1 26 PRO 0.564 0.130 22 0 "[ . 1 . 2 ]"
1 28 PHE 0.227 0.104 14 0 "[ . 1 . 2 ]"
1 35 CYS 0.011 0.011 13 0 "[ . 1 . 2 ]"
1 36 LEU 2.416 0.189 18 0 "[ . 1 . 2 ]"
1 37 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 38 GLY 0.377 0.075 4 0 "[ . 1 . 2 ]"
1 45 ILE 2.742 0.189 18 0 "[ . 1 . 2 ]"
1 47 ILE 0.051 0.051 15 0 "[ . 1 . 2 ]"
1 57 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 59 ILE 0.011 0.011 13 0 "[ . 1 . 2 ]"
1 60 GLU 0.644 0.083 20 0 "[ . 1 . 2 ]"
1 62 HIS 2.241 0.195 15 0 "[ . 1 . 2 ]"
1 65 GLU 2.241 0.195 15 0 "[ . 1 . 2 ]"
1 66 ALA 1.494 0.136 18 0 "[ . 1 . 2 ]"
1 67 ILE 0.644 0.083 20 0 "[ . 1 . 2 ]"
1 68 LEU 2.015 0.210 18 0 "[ . 1 . 2 ]"
1 77 THR 0.037 0.017 16 0 "[ . 1 . 2 ]"
1 78 GLN 0.421 0.088 15 0 "[ . 1 . 2 ]"
1 79 VAL 0.194 0.039 7 0 "[ . 1 . 2 ]"
1 80 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 82 SER 0.194 0.039 7 0 "[ . 1 . 2 ]"
1 84 ILE 0.037 0.017 16 0 "[ . 1 . 2 ]"
1 88 VAL 2.015 0.210 18 0 "[ . 1 . 2 ]"
1 90 LEU 1.494 0.136 18 0 "[ . 1 . 2 ]"
1 94 ASP 0.054 0.037 18 0 "[ . 1 . 2 ]"
1 95 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 96 ILE 0.373 0.076 21 0 "[ . 1 . 2 ]"
1 97 THR 0.421 0.088 15 0 "[ . 1 . 2 ]"
1 98 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 101 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 102 SER 0.284 0.087 20 0 "[ . 1 . 2 ]"
1 103 PHE 0.373 0.076 21 0 "[ . 1 . 2 ]"
1 104 ARG 0.066 0.031 22 0 "[ . 1 . 2 ]"
1 105 TYR 0.054 0.037 18 0 "[ . 1 . 2 ]"
1 106 GLU 0.425 0.076 3 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 36 LEU O 1 45 ILE N . 2.400 2.500 2.605 2.504 2.689 0.189 18 0 "[ . 1 . 2 ]" 2
2 1 38 GLY O 1 47 ILE N 2.800 2.400 3.500 2.987 2.349 3.270 0.051 15 0 "[ . 1 . 2 ]" 2
3 1 38 GLY N 1 45 ILE O 2.800 2.400 3.500 3.315 3.176 3.418 . 0 0 "[ . 1 . 2 ]" 2
4 1 15 LEU N 1 28 PHE O 2.800 2.400 3.500 3.204 2.544 3.472 . 0 0 "[ . 1 . 2 ]" 2
5 1 15 LEU O 1 28 PHE N 2.800 2.400 3.500 2.675 2.540 2.935 . 0 0 "[ . 1 . 2 ]" 2
6 1 17 THR N 1 26 PRO O 2.800 2.400 3.500 3.318 2.635 3.604 0.104 22 0 "[ . 1 . 2 ]" 2
7 1 14 ARG N 1 106 GLU O 2.800 2.400 3.500 3.286 2.931 3.487 . 0 0 "[ . 1 . 2 ]" 2
8 1 14 ARG O 1 106 GLU N 2.800 2.400 3.500 3.365 2.970 3.539 0.039 3 0 "[ . 1 . 2 ]" 2
9 1 16 VAL N 1 104 ARG O 2.800 2.400 3.500 3.046 2.594 3.389 . 0 0 "[ . 1 . 2 ]" 2
10 1 16 VAL O 1 104 ARG N 2.800 2.400 3.500 2.636 2.369 3.029 0.031 22 0 "[ . 1 . 2 ]" 2
11 1 18 ILE N 1 102 SER O 2.800 2.400 3.500 3.193 2.749 3.429 . 0 0 "[ . 1 . 2 ]" 2
12 1 94 ASP O 1 105 TYR N 2.800 2.400 3.500 3.161 2.886 3.516 0.016 18 0 "[ . 1 . 2 ]" 2
13 1 96 ILE N 1 103 PHE O 2.800 2.400 3.500 2.616 2.382 3.006 0.018 3 0 "[ . 1 . 2 ]" 2
14 1 96 ILE O 1 103 PHE N 2.800 2.400 3.500 2.544 2.324 2.727 0.076 21 0 "[ . 1 . 2 ]" 2
15 1 98 ILE N 1 101 ARG O 2.800 2.400 3.500 2.762 2.644 2.884 . 0 0 "[ . 1 . 2 ]" 2
16 1 78 GLN N 1 97 THR O 2.800 2.400 3.500 2.566 2.367 2.812 0.033 18 0 "[ . 1 . 2 ]" 2
17 1 78 GLN O 1 97 THR N 2.800 2.400 3.500 2.547 2.351 2.840 0.049 14 0 "[ . 1 . 2 ]" 2
18 1 80 ASN N 1 95 VAL O 2.800 2.400 3.500 2.999 2.697 3.352 . 0 0 "[ . 1 . 2 ]" 2
19 1 79 VAL N 1 82 SER O 2.800 2.400 3.500 2.842 2.639 3.226 . 0 0 "[ . 1 . 2 ]" 2
20 1 79 VAL O 1 82 SER N 2.800 2.400 3.500 2.483 2.379 2.823 0.021 15 0 "[ . 1 . 2 ]" 2
21 1 77 THR O 1 84 ILE N 2.800 2.400 3.500 3.074 2.685 3.325 . 0 0 "[ . 1 . 2 ]" 2
22 1 35 CYS N 1 59 ILE O 2.800 2.400 3.500 2.833 2.515 3.120 . 0 0 "[ . 1 . 2 ]" 2
23 1 35 CYS O 1 59 ILE N 2.800 2.400 3.500 2.632 2.406 2.910 . 0 0 "[ . 1 . 2 ]" 2
24 1 37 PHE N 1 57 CYS O 2.800 2.400 3.500 2.674 2.534 2.848 . 0 0 "[ . 1 . 2 ]" 2
25 1 60 GLU N 1 67 ILE O 2.800 2.400 3.500 2.423 2.317 2.521 0.083 20 0 "[ . 1 . 2 ]" 2
26 1 60 GLU O 1 67 ILE N 2.800 2.400 3.500 2.555 2.443 2.729 . 0 0 "[ . 1 . 2 ]" 2
27 1 62 HIS N 1 65 GLU O 2.800 2.400 3.500 2.592 2.387 3.123 0.013 13 0 "[ . 1 . 2 ]" 2
28 1 62 HIS O 1 65 GLU N 2.800 2.400 3.500 3.373 2.872 3.543 0.043 4 0 "[ . 1 . 2 ]" 2
29 1 66 ALA O 1 90 LEU N 2.800 2.400 3.500 3.366 2.932 3.541 0.041 20 0 "[ . 1 . 2 ]" 2
30 1 68 LEU N 1 88 VAL O 2.800 2.400 3.500 3.132 2.944 3.371 . 0 0 "[ . 1 . 2 ]" 2
31 1 68 LEU O 1 88 VAL N 2.800 2.400 3.500 3.319 3.106 3.465 . 0 0 "[ . 1 . 2 ]" 2
32 1 38 GLY O 1 47 ILE H 1.800 . 2.500 2.070 1.521 2.341 . 0 0 "[ . 1 . 2 ]" 2
33 1 38 GLY H 1 45 ILE O 1.800 . 2.500 2.458 2.295 2.575 0.075 4 0 "[ . 1 . 2 ]" 2
34 1 15 LEU H 1 28 PHE O 1.800 . 2.500 2.287 1.629 2.604 0.104 14 0 "[ . 1 . 2 ]" 2
35 1 15 LEU O 1 28 PHE H 1.800 . 2.500 1.829 1.584 2.289 . 0 0 "[ . 1 . 2 ]" 2
36 1 17 THR H 1 26 PRO O 1.800 . 2.500 2.372 1.765 2.630 0.130 22 0 "[ . 1 . 2 ]" 2
37 1 14 ARG H 1 106 GLU O 1.800 . 2.500 2.327 2.083 2.514 0.014 3 0 "[ . 1 . 2 ]" 2
38 1 14 ARG O 1 106 GLU H 1.800 . 2.500 2.420 1.992 2.576 0.076 3 0 "[ . 1 . 2 ]" 2
39 1 16 VAL H 1 104 ARG O 1.800 . 2.500 2.124 1.617 2.463 . 0 0 "[ . 1 . 2 ]" 2
40 1 16 VAL O 1 104 ARG H 1.800 . 2.500 1.749 1.469 2.062 0.031 22 0 "[ . 1 . 2 ]" 2
41 1 18 ILE H 1 102 SER O 1.800 . 2.500 2.387 1.835 2.587 0.087 20 0 "[ . 1 . 2 ]" 2
42 1 94 ASP O 1 105 TYR H 1.800 . 2.500 2.210 1.915 2.537 0.037 18 0 "[ . 1 . 2 ]" 2
43 1 96 ILE H 1 103 PHE O 1.800 . 2.500 1.675 1.424 2.067 0.076 3 0 "[ . 1 . 2 ]" 2
44 1 96 ILE O 1 103 PHE H 1.800 . 2.500 1.600 1.437 1.784 0.063 21 0 "[ . 1 . 2 ]" 2
45 1 98 ILE H 1 101 ARG O 1.800 . 2.500 1.832 1.695 1.981 . 0 0 "[ . 1 . 2 ]" 2
46 1 78 GLN H 1 97 THR O 1.800 . 2.500 1.733 1.490 2.019 0.010 22 0 "[ . 1 . 2 ]" 2
47 1 78 GLN O 1 97 THR H 1.800 . 2.500 1.589 1.412 1.880 0.088 15 0 "[ . 1 . 2 ]" 2
48 1 80 ASN H 1 95 VAL O 1.800 . 2.500 2.051 1.730 2.466 . 0 0 "[ . 1 . 2 ]" 2
49 1 79 VAL H 1 82 SER O 1.800 . 2.500 1.910 1.682 2.407 . 0 0 "[ . 1 . 2 ]" 2
50 1 79 VAL O 1 82 SER H 1.800 . 2.500 1.596 1.461 1.993 0.039 7 0 "[ . 1 . 2 ]" 2
51 1 77 THR O 1 84 ILE H 1.800 . 2.500 2.281 1.788 2.517 0.017 16 0 "[ . 1 . 2 ]" 2
52 1 35 CYS H 1 59 ILE O 1.800 . 2.500 1.903 1.556 2.171 . 0 0 "[ . 1 . 2 ]" 2
53 1 35 CYS O 1 59 ILE H 1.800 . 2.500 1.790 1.489 2.092 0.011 13 0 "[ . 1 . 2 ]" 2
54 1 37 PHE H 1 57 CYS O 1.800 . 2.500 1.775 1.614 1.939 . 0 0 "[ . 1 . 2 ]" 2
55 1 60 GLU H 1 67 ILE O 1.800 . 2.500 1.523 1.421 1.635 0.079 16 0 "[ . 1 . 2 ]" 2
56 1 60 GLU O 1 67 ILE H 1.800 . 2.500 1.620 1.482 1.801 0.018 14 0 "[ . 1 . 2 ]" 2
57 1 62 HIS H 1 65 GLU O 1.800 . 2.500 1.678 1.447 2.212 0.053 13 0 "[ . 1 . 2 ]" 2
58 1 62 HIS O 1 65 GLU H 1.800 . 2.500 2.586 2.458 2.695 0.195 15 0 "[ . 1 . 2 ]" 2
59 1 66 ALA O 1 90 LEU H 1.800 . 2.500 2.531 2.118 2.636 0.136 18 0 "[ . 1 . 2 ]" 2
60 1 68 LEU H 1 88 VAL O 1.800 . 2.500 2.270 1.975 2.469 . 0 0 "[ . 1 . 2 ]" 2
61 1 68 LEU O 1 88 VAL H 1.800 . 2.500 2.580 2.390 2.710 0.210 18 0 "[ . 1 . 2 ]" 2
stop_
save_
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