NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
372626 |
1dcj   |
4819 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1dcj
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 989
_Distance_constraint_stats_list.Viol_count 3059
_Distance_constraint_stats_list.Viol_total 7043.713
_Distance_constraint_stats_list.Viol_max 0.470
_Distance_constraint_stats_list.Viol_rms 0.0568
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0178
_Distance_constraint_stats_list.Viol_average_violations_only 0.1151
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 LEU 0.020 0.020 15 0 "[ . 1 . 2]"
1 5 PHE 30.187 0.470 15 0 "[ . 1 . 2]"
1 6 SER 0.751 0.046 6 0 "[ . 1 . 2]"
1 7 SER 1.536 0.137 16 0 "[ . 1 . 2]"
1 8 PRO 1.438 0.074 10 0 "[ . 1 . 2]"
1 9 ASP 0.545 0.039 10 0 "[ . 1 . 2]"
1 10 HIS 5.069 0.171 15 0 "[ . 1 . 2]"
1 11 THR 4.878 0.158 11 0 "[ . 1 . 2]"
1 12 LEU 5.605 0.109 17 0 "[ . 1 . 2]"
1 13 ASP 0.388 0.052 13 0 "[ . 1 . 2]"
1 14 ALA 7.911 0.455 16 0 "[ . 1 . 2]"
1 15 LEU 28.420 0.455 16 0 "[ . 1 . 2]"
1 16 GLY 6.282 0.329 14 0 "[ . 1 . 2]"
1 17 LEU 8.557 0.305 16 0 "[ . 1 . 2]"
1 18 ARG 17.227 0.305 16 0 "[ . 1 . 2]"
1 19 CYS 9.305 0.301 20 0 "[ . 1 . 2]"
1 20 PRO 3.332 0.098 17 0 "[ . 1 . 2]"
1 21 GLU 24.755 0.399 12 0 "[ . 1 . 2]"
1 22 PRO 9.046 0.207 18 0 "[ . 1 . 2]"
1 23 VAL 10.560 0.207 18 0 "[ . 1 . 2]"
1 24 MET 13.615 0.399 12 0 "[ . 1 . 2]"
1 25 MET 3.470 0.129 11 0 "[ . 1 . 2]"
1 26 VAL 6.947 0.219 2 0 "[ . 1 . 2]"
1 27 ARG 5.622 0.219 2 0 "[ . 1 . 2]"
1 28 LYS 3.032 0.129 11 0 "[ . 1 . 2]"
1 29 THR 7.006 0.328 15 0 "[ . 1 . 2]"
1 30 VAL 5.639 0.181 18 0 "[ . 1 . 2]"
1 31 ARG 5.122 0.181 18 0 "[ . 1 . 2]"
1 32 ASN 7.050 0.328 15 0 "[ . 1 . 2]"
1 33 MET 1.821 0.128 6 0 "[ . 1 . 2]"
1 34 GLN 0.313 0.034 19 0 "[ . 1 . 2]"
1 35 PRO 4.291 0.223 14 0 "[ . 1 . 2]"
1 36 GLY 2.872 0.104 9 0 "[ . 1 . 2]"
1 37 GLU 1.920 0.130 2 0 "[ . 1 . 2]"
1 38 THR 0.319 0.026 16 0 "[ . 1 . 2]"
1 39 LEU 4.283 0.171 15 0 "[ . 1 . 2]"
1 40 LEU 1.936 0.074 10 0 "[ . 1 . 2]"
1 41 ILE 0.616 0.044 14 0 "[ . 1 . 2]"
1 42 ILE 6.150 0.292 10 0 "[ . 1 . 2]"
1 43 ALA 7.192 0.175 20 0 "[ . 1 . 2]"
1 44 ASP 8.782 0.211 13 0 "[ . 1 . 2]"
1 45 ASP 24.736 0.300 7 0 "[ . 1 . 2]"
1 46 PRO 3.464 0.131 10 0 "[ . 1 . 2]"
1 47 ALA 6.401 0.131 10 0 "[ . 1 . 2]"
1 48 THR 1.455 0.089 6 0 "[ . 1 . 2]"
1 49 THR 0.508 0.029 3 0 "[ . 1 . 2]"
1 50 ARG 9.743 0.241 5 0 "[ . 1 . 2]"
1 51 ASP 5.019 0.140 9 0 "[ . 1 . 2]"
1 52 ILE 10.298 0.273 1 0 "[ . 1 . 2]"
1 53 PRO 7.939 0.250 11 0 "[ . 1 . 2]"
1 54 GLY 10.090 0.184 1 0 "[ . 1 . 2]"
1 55 PHE 8.574 0.273 1 0 "[ . 1 . 2]"
1 56 CYS 11.732 0.250 11 0 "[ . 1 . 2]"
1 57 THR 7.747 0.167 16 0 "[ . 1 . 2]"
1 58 PHE 0.995 0.062 11 0 "[ . 1 . 2]"
1 59 MET 5.588 0.289 7 0 "[ . 1 . 2]"
1 60 GLU 1.111 0.137 12 0 "[ . 1 . 2]"
1 61 HIS 7.269 0.159 1 0 "[ . 1 . 2]"
1 62 GLU 10.599 0.237 18 0 "[ . 1 . 2]"
1 63 LEU 3.569 0.222 1 0 "[ . 1 . 2]"
1 64 VAL 4.631 0.159 12 0 "[ . 1 . 2]"
1 65 ALA 8.773 0.355 20 0 "[ . 1 . 2]"
1 66 LYS 13.153 0.354 13 0 "[ . 1 . 2]"
1 67 GLU 29.551 0.354 13 0 "[ . 1 . 2]"
1 68 THR 2.381 0.137 8 0 "[ . 1 . 2]"
1 69 ASP 8.248 0.203 20 0 "[ . 1 . 2]"
1 70 GLY 8.929 0.203 20 0 "[ . 1 . 2]"
1 71 LEU 9.182 0.180 6 0 "[ . 1 . 2]"
1 72 PRO 10.274 0.275 13 0 "[ . 1 . 2]"
1 73 TYR 34.874 0.371 17 0 "[ . 1 . 2]"
1 74 ARG 22.435 0.307 16 0 "[ . 1 . 2]"
1 75 TYR 25.093 0.445 6 0 "[ . 1 . 2]"
1 76 LEU 22.482 0.470 15 0 "[ . 1 . 2]"
1 77 ILE 4.419 0.176 12 0 "[ . 1 . 2]"
1 78 ARG 8.663 0.237 18 0 "[ . 1 . 2]"
1 79 LYS 4.153 0.223 14 0 "[ . 1 . 2]"
1 80 GLY 0.399 0.112 10 0 "[ . 1 . 2]"
1 81 GLY 1.325 0.112 10 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 THR HA 1 3 ASP H 2.000 . 5.000 2.262 2.189 2.401 . 0 0 "[ . 1 . 2]" 1
2 1 4 LEU H 1 4 LEU HB3 2.000 . 4.500 3.627 3.552 3.695 . 0 0 "[ . 1 . 2]" 1
3 1 4 LEU H 1 4 LEU HB2 2.000 . 2.700 2.468 2.243 2.720 0.020 15 0 "[ . 1 . 2]" 1
4 1 4 LEU H 1 4 LEU HG 2.000 . 3.500 2.388 1.866 3.058 . 0 0 "[ . 1 . 2]" 1
5 1 4 LEU H 1 4 LEU MD2 2.000 . 5.000 3.618 2.883 4.110 . 0 0 "[ . 1 . 2]" 1
6 1 3 ASP HA 1 4 LEU H 2.000 . 2.700 2.239 2.189 2.357 . 0 0 "[ . 1 . 2]" 1
7 1 3 ASP QB 1 4 LEU H 2.000 . 5.000 3.441 2.750 3.979 . 0 0 "[ . 1 . 2]" 1
8 1 5 PHE H 1 5 PHE HB2 2.000 . 2.700 2.212 2.198 2.220 . 0 0 "[ . 1 . 2]" 1
9 1 5 PHE H 1 5 PHE HD1 2.000 . 3.000 3.002 2.940 3.061 0.061 17 0 "[ . 1 . 2]" 1
10 1 5 PHE H 1 5 PHE HD2 2.000 . 5.000 5.015 4.934 5.043 0.043 2 0 "[ . 1 . 2]" 1
11 1 4 LEU H 1 5 PHE H 2.000 . 3.500 2.437 2.176 2.652 . 0 0 "[ . 1 . 2]" 1
12 1 4 LEU HA 1 5 PHE H 2.000 . 4.500 3.432 3.301 3.587 . 0 0 "[ . 1 . 2]" 1
13 1 4 LEU HB3 1 5 PHE H 2.000 . 5.000 3.994 3.563 4.317 . 0 0 "[ . 1 . 2]" 1
14 1 4 LEU HB2 1 5 PHE H 2.000 . 4.500 3.118 2.178 3.533 . 0 0 "[ . 1 . 2]" 1
15 1 4 LEU MD2 1 5 PHE H 2.000 . 7.000 4.728 4.364 4.941 . 0 0 "[ . 1 . 2]" 1
16 1 3 ASP QB 1 5 PHE H 2.000 . 6.000 3.134 2.104 4.321 . 0 0 "[ . 1 . 2]" 1
17 1 6 SER H 1 6 SER HB3 2.000 . 4.000 3.267 2.399 3.635 . 0 0 "[ . 1 . 2]" 1
18 1 6 SER H 1 6 SER HB2 2.000 . 2.700 2.646 2.546 2.744 0.044 2 0 "[ . 1 . 2]" 1
19 1 5 PHE H 1 6 SER H 2.000 . 2.700 2.716 2.701 2.746 0.046 6 0 "[ . 1 . 2]" 1
20 1 5 PHE HB3 1 6 SER H 2.000 . 5.000 4.221 4.208 4.233 . 0 0 "[ . 1 . 2]" 1
21 1 5 PHE HB2 1 6 SER H 2.000 . 4.000 3.939 3.920 3.956 . 0 0 "[ . 1 . 2]" 1
22 1 3 ASP QB 1 6 SER H 2.000 . 6.000 3.380 2.439 3.842 . 0 0 "[ . 1 . 2]" 1
23 1 7 SER H 1 7 SER QB 2.000 . 5.500 2.430 2.078 2.783 . 0 0 "[ . 1 . 2]" 1
24 1 6 SER H 1 7 SER H 2.000 . 5.000 4.685 4.674 4.690 . 0 0 "[ . 1 . 2]" 1
25 1 6 SER HA 1 7 SER H 2.000 . 2.700 2.564 2.552 2.576 . 0 0 "[ . 1 . 2]" 1
26 1 6 SER HB2 1 7 SER H 2.000 . 3.500 3.468 3.367 3.542 0.042 15 0 "[ . 1 . 2]" 1
27 1 7 SER H 1 8 PRO HD2 2.000 . 5.000 4.724 4.708 4.735 . 0 0 "[ . 1 . 2]" 1
28 1 9 ASP H 1 9 ASP HB2 2.000 . 2.700 2.426 2.349 2.500 . 0 0 "[ . 1 . 2]" 1
29 1 8 PRO HA 1 9 ASP H 2.000 . 2.700 2.468 2.425 2.537 . 0 0 "[ . 1 . 2]" 1
30 1 8 PRO HB3 1 9 ASP H 2.000 . 3.500 3.501 3.428 3.539 0.039 10 0 "[ . 1 . 2]" 1
31 1 8 PRO HB2 1 9 ASP H 2.000 . 3.500 2.667 2.507 2.758 . 0 0 "[ . 1 . 2]" 1
32 1 9 ASP H 1 10 HIS HB2 2.000 . 5.000 4.604 4.481 4.724 . 0 0 "[ . 1 . 2]" 1
33 1 9 ASP H 1 10 HIS HD2 2.000 . 5.000 4.482 4.429 4.521 . 0 0 "[ . 1 . 2]" 1
34 1 9 ASP H 1 38 THR H 2.000 . 3.500 3.059 2.956 3.128 . 0 0 "[ . 1 . 2]" 1
35 1 9 ASP H 1 38 THR HB 2.000 . 5.000 3.172 3.051 3.287 . 0 0 "[ . 1 . 2]" 1
36 1 9 ASP H 1 38 THR MG 2.000 . 6.000 4.244 4.126 4.385 . 0 0 "[ . 1 . 2]" 1
37 1 9 ASP H 1 38 THR HG1 2.000 . 2.500 2.054 1.874 2.426 . 0 0 "[ . 1 . 2]" 1
38 1 9 ASP H 1 76 LEU MD1 2.000 . 6.500 4.074 3.969 4.181 . 0 0 "[ . 1 . 2]" 1
39 1 10 HIS H 1 10 HIS HB2 2.000 . 2.700 2.680 2.643 2.705 0.005 18 0 "[ . 1 . 2]" 1
40 1 10 HIS H 1 10 HIS HD2 2.000 . 3.500 3.524 3.513 3.549 0.049 19 0 "[ . 1 . 2]" 1
41 1 9 ASP H 1 10 HIS H 2.000 . 2.700 2.371 2.263 2.461 . 0 0 "[ . 1 . 2]" 1
42 1 9 ASP HA 1 10 HIS H 2.000 . 4.000 3.471 3.464 3.480 . 0 0 "[ . 1 . 2]" 1
43 1 9 ASP HB3 1 10 HIS H 2.000 . 4.000 3.937 3.852 4.009 0.009 3 0 "[ . 1 . 2]" 1
44 1 9 ASP HB2 1 10 HIS H 2.000 . 3.000 3.012 3.003 3.025 0.025 17 0 "[ . 1 . 2]" 1
45 1 8 PRO HA 1 10 HIS H 2.000 . 4.500 4.129 4.059 4.223 . 0 0 "[ . 1 . 2]" 1
46 1 8 PRO HB3 1 10 HIS H 2.000 . 5.000 4.023 3.971 4.061 . 0 0 "[ . 1 . 2]" 1
47 1 8 PRO HB2 1 10 HIS H 2.000 . 3.500 2.347 2.282 2.406 . 0 0 "[ . 1 . 2]" 1
48 1 8 PRO HG3 1 10 HIS H 2.000 . 5.000 4.923 4.831 5.008 0.008 1 0 "[ . 1 . 2]" 1
49 1 10 HIS H 1 38 THR H 2.000 . 5.000 4.354 4.256 4.401 . 0 0 "[ . 1 . 2]" 1
50 1 10 HIS H 1 38 THR HG1 2.000 . 5.000 4.255 3.968 4.639 . 0 0 "[ . 1 . 2]" 1
51 1 10 HIS H 1 39 LEU HA 2.000 . 3.000 2.407 2.353 2.457 . 0 0 "[ . 1 . 2]" 1
52 1 10 HIS H 1 39 LEU HB2 2.000 . 5.000 4.108 4.023 4.246 . 0 0 "[ . 1 . 2]" 1
53 1 10 HIS H 1 39 LEU HG 2.000 . 5.000 5.062 5.039 5.099 0.099 4 0 "[ . 1 . 2]" 1
54 1 10 HIS H 1 39 LEU MD1 2.000 . 5.500 3.640 3.624 3.653 . 0 0 "[ . 1 . 2]" 1
55 1 10 HIS H 1 40 LEU H 2.000 . 4.500 3.483 3.426 3.551 . 0 0 "[ . 1 . 2]" 1
56 1 11 THR H 1 11 THR HB 2.000 . 2.700 2.848 2.837 2.858 0.158 11 0 "[ . 1 . 2]" 1
57 1 11 THR H 1 11 THR MG 2.000 . 5.500 3.956 3.950 3.964 . 0 0 "[ . 1 . 2]" 1
58 1 10 HIS H 1 11 THR H 2.000 . 5.000 4.438 4.430 4.447 . 0 0 "[ . 1 . 2]" 1
59 1 10 HIS HA 1 11 THR H 2.000 . 2.700 2.561 2.525 2.583 . 0 0 "[ . 1 . 2]" 1
60 1 10 HIS HB3 1 11 THR H 2.000 . 3.000 2.304 2.256 2.379 . 0 0 "[ . 1 . 2]" 1
61 1 10 HIS HB2 1 11 THR H 2.000 . 4.500 3.686 3.639 3.750 . 0 0 "[ . 1 . 2]" 1
62 1 11 THR H 1 39 LEU MD1 2.000 . 6.500 2.430 2.380 2.480 . 0 0 "[ . 1 . 2]" 1
63 1 12 LEU H 1 12 LEU HB3 2.000 . 2.700 2.771 2.751 2.788 0.088 14 0 "[ . 1 . 2]" 1
64 1 12 LEU H 1 12 LEU HB2 2.000 . 3.500 3.504 3.471 3.518 0.018 10 0 "[ . 1 . 2]" 1
65 1 12 LEU H 1 12 LEU HG 2.000 . 5.000 4.381 4.339 4.441 . 0 0 "[ . 1 . 2]" 1
66 1 11 THR H 1 12 LEU H 2.000 . 5.000 4.419 4.412 4.428 . 0 0 "[ . 1 . 2]" 1
67 1 11 THR HA 1 12 LEU H 2.000 . 2.700 2.395 2.366 2.411 . 0 0 "[ . 1 . 2]" 1
68 1 11 THR HB 1 12 LEU H 2.000 . 3.500 3.596 3.586 3.609 0.109 17 0 "[ . 1 . 2]" 1
69 1 11 THR MG 1 12 LEU H 2.000 . 4.000 1.886 1.826 1.953 . 0 0 "[ . 1 . 2]" 1
70 1 12 LEU H 1 39 LEU MD1 2.000 . 5.500 3.780 3.722 3.873 . 0 0 "[ . 1 . 2]" 1
71 1 12 LEU H 1 39 LEU MD2 2.000 . 6.500 4.644 4.550 4.798 . 0 0 "[ . 1 . 2]" 1
72 1 12 LEU H 1 40 LEU H 2.000 . 4.500 4.545 4.517 4.566 0.066 3 0 "[ . 1 . 2]" 1
73 1 12 LEU H 1 40 LEU HB3 2.000 . 4.500 4.310 4.109 4.428 . 0 0 "[ . 1 . 2]" 1
74 1 12 LEU H 1 41 ILE HA 2.000 . 2.700 2.375 2.288 2.427 . 0 0 "[ . 1 . 2]" 1
75 1 12 LEU H 1 41 ILE HG13 2.000 . 5.000 4.980 4.857 5.044 0.044 14 0 "[ . 1 . 2]" 1
76 1 12 LEU H 1 41 ILE HG12 2.000 . 5.000 3.490 3.389 3.585 . 0 0 "[ . 1 . 2]" 1
77 1 12 LEU H 1 42 ILE H 2.000 . 5.000 3.783 3.535 4.118 . 0 0 "[ . 1 . 2]" 1
78 1 13 ASP H 1 13 ASP HB3 2.000 . 2.700 2.576 2.377 2.694 . 0 0 "[ . 1 . 2]" 1
79 1 13 ASP H 1 13 ASP HB2 2.000 . 3.500 2.657 2.500 2.913 . 0 0 "[ . 1 . 2]" 1
80 1 12 LEU H 1 13 ASP H 2.000 . 5.000 3.976 3.922 4.200 . 0 0 "[ . 1 . 2]" 1
81 1 12 LEU HA 1 13 ASP H 2.000 . 2.700 2.224 2.197 2.237 . 0 0 "[ . 1 . 2]" 1
82 1 12 LEU HB3 1 13 ASP H 2.000 . 5.000 4.449 4.274 4.476 . 0 0 "[ . 1 . 2]" 1
83 1 12 LEU HB2 1 13 ASP H 2.000 . 5.000 4.365 4.178 4.392 . 0 0 "[ . 1 . 2]" 1
84 1 12 LEU HG 1 13 ASP H 2.000 . 4.500 3.885 3.443 3.976 . 0 0 "[ . 1 . 2]" 1
85 1 12 LEU MD1 1 13 ASP H 2.000 . 4.000 2.120 1.816 2.203 . 0 0 "[ . 1 . 2]" 1
86 1 12 LEU MD2 1 13 ASP H 2.000 . 5.500 4.690 4.343 4.742 . 0 0 "[ . 1 . 2]" 1
87 1 11 THR MG 1 13 ASP H 2.000 . 6.000 3.725 3.598 4.150 . 0 0 "[ . 1 . 2]" 1
88 1 14 ALA H 1 14 ALA MB 2.000 . 4.000 2.689 2.656 2.723 . 0 0 "[ . 1 . 2]" 1
89 1 13 ASP HA 1 14 ALA H 2.000 . 2.700 2.302 2.267 2.332 . 0 0 "[ . 1 . 2]" 1
90 1 13 ASP HB3 1 14 ALA H 2.000 . 4.500 4.056 3.915 4.229 . 0 0 "[ . 1 . 2]" 1
91 1 13 ASP HB2 1 14 ALA H 2.000 . 4.500 4.281 4.124 4.379 . 0 0 "[ . 1 . 2]" 1
92 1 14 ALA H 1 15 LEU HA 2.000 . 5.000 4.177 4.140 4.207 . 0 0 "[ . 1 . 2]" 1
93 1 14 ALA H 1 15 LEU HB3 2.000 . 4.500 4.887 4.829 4.955 0.455 16 0 "[ . 1 . 2]" 1
94 1 14 ALA H 1 15 LEU HB2 2.000 . 5.000 4.264 4.128 4.371 . 0 0 "[ . 1 . 2]" 1
95 1 14 ALA H 1 15 LEU HG 2.000 . 4.500 2.280 2.204 2.420 . 0 0 "[ . 1 . 2]" 1
96 1 14 ALA H 1 15 LEU MD1 2.000 . 4.500 3.752 3.517 3.862 . 0 0 "[ . 1 . 2]" 1
97 1 14 ALA H 1 15 LEU MD2 2.000 . 6.500 2.821 1.937 3.671 . 0 0 "[ . 1 . 2]" 1
98 1 14 ALA H 1 42 ILE H 2.000 . 3.500 3.482 3.401 3.521 0.021 15 0 "[ . 1 . 2]" 1
99 1 14 ALA H 1 42 ILE HB 2.000 . 3.500 2.661 2.604 2.733 . 0 0 "[ . 1 . 2]" 1
100 1 14 ALA H 1 43 ALA HA 2.000 . 4.000 3.133 3.093 3.176 . 0 0 "[ . 1 . 2]" 1
101 1 15 LEU H 1 15 LEU HB3 2.000 . 4.500 3.536 3.517 3.552 . 0 0 "[ . 1 . 2]" 1
102 1 15 LEU H 1 15 LEU HB2 2.000 . 2.700 2.716 2.579 2.798 0.098 3 0 "[ . 1 . 2]" 1
103 1 15 LEU H 1 15 LEU HG 2.000 . 2.700 1.812 1.765 1.868 0.035 7 0 "[ . 1 . 2]" 1
104 1 15 LEU H 1 15 LEU MD1 2.000 . 4.500 3.433 3.204 3.558 . 0 0 "[ . 1 . 2]" 1
105 1 15 LEU H 1 15 LEU MD2 2.000 . 5.500 2.796 2.307 3.349 . 0 0 "[ . 1 . 2]" 1
106 1 14 ALA H 1 15 LEU H 2.000 . 2.700 1.819 1.793 1.864 0.007 9 0 "[ . 1 . 2]" 1
107 1 14 ALA HA 1 15 LEU H 2.000 . 4.500 2.955 2.918 2.984 . 0 0 "[ . 1 . 2]" 1
108 1 14 ALA MB 1 15 LEU H 2.000 . 5.000 3.473 3.449 3.494 . 0 0 "[ . 1 . 2]" 1
109 1 13 ASP HA 1 15 LEU H 2.000 . 4.000 3.613 3.485 3.703 . 0 0 "[ . 1 . 2]" 1
110 1 13 ASP HB3 1 15 LEU H 2.000 . 5.000 4.277 4.110 4.487 . 0 0 "[ . 1 . 2]" 1
111 1 15 LEU H 1 17 LEU H 2.000 . 5.000 3.838 3.761 3.942 . 0 0 "[ . 1 . 2]" 1
112 1 15 LEU H 1 45 ASP H 2.000 . 5.000 5.272 5.242 5.300 0.300 7 0 "[ . 1 . 2]" 1
113 1 15 LEU H 1 44 ASP H 2.000 . 4.000 3.880 3.854 3.913 . 0 0 "[ . 1 . 2]" 1
114 1 15 LEU H 1 43 ALA H 2.000 . 5.000 5.112 5.078 5.152 0.152 20 0 "[ . 1 . 2]" 1
115 1 15 LEU H 1 43 ALA HA 2.000 . 4.500 3.374 3.325 3.411 . 0 0 "[ . 1 . 2]" 1
116 1 15 LEU H 1 42 ILE HB 2.000 . 5.000 3.782 3.729 3.847 . 0 0 "[ . 1 . 2]" 1
117 1 16 GLY H 1 16 GLY HA2 2.000 . 2.700 2.439 2.416 2.454 . 0 0 "[ . 1 . 2]" 1
118 1 15 LEU H 1 16 GLY H 2.000 . 5.000 4.209 4.165 4.285 . 0 0 "[ . 1 . 2]" 1
119 1 15 LEU HA 1 16 GLY H 2.000 . 2.700 2.140 2.126 2.162 . 0 0 "[ . 1 . 2]" 1
120 1 15 LEU HB3 1 16 GLY H 2.000 . 3.500 3.781 3.709 3.829 0.329 14 0 "[ . 1 . 2]" 1
121 1 15 LEU HB2 1 16 GLY H 2.000 . 4.500 4.178 4.102 4.247 . 0 0 "[ . 1 . 2]" 1
122 1 15 LEU MD1 1 16 GLY H 2.000 . 6.500 5.399 5.327 5.434 . 0 0 "[ . 1 . 2]" 1
123 1 15 LEU MD2 1 16 GLY H 2.000 . 5.000 3.967 3.864 4.121 . 0 0 "[ . 1 . 2]" 1
124 1 16 GLY H 1 43 ALA HA 2.000 . 4.500 4.502 4.405 4.533 0.033 15 0 "[ . 1 . 2]" 1
125 1 16 GLY H 1 44 ASP H 2.000 . 4.000 2.866 2.745 2.912 . 0 0 "[ . 1 . 2]" 1
126 1 16 GLY H 1 44 ASP HA 2.000 . 5.000 4.974 4.742 5.040 0.040 15 0 "[ . 1 . 2]" 1
127 1 16 GLY H 1 44 ASP HB2 2.000 . 5.000 4.317 4.161 4.365 . 0 0 "[ . 1 . 2]" 1
128 1 17 LEU H 1 17 LEU HB3 2.000 . 4.500 3.625 3.613 3.638 . 0 0 "[ . 1 . 2]" 1
129 1 17 LEU H 1 17 LEU HB2 2.000 . 2.700 2.402 2.385 2.425 . 0 0 "[ . 1 . 2]" 1
130 1 17 LEU H 1 17 LEU HG 2.000 . 2.700 2.836 2.826 2.848 0.148 10 0 "[ . 1 . 2]" 1
131 1 16 GLY H 1 17 LEU H 2.000 . 2.700 2.225 2.103 2.368 . 0 0 "[ . 1 . 2]" 1
132 1 16 GLY HA3 1 17 LEU H 2.000 . 3.500 3.246 3.207 3.286 . 0 0 "[ . 1 . 2]" 1
133 1 16 GLY HA2 1 17 LEU H 2.000 . 3.500 3.318 3.277 3.351 . 0 0 "[ . 1 . 2]" 1
134 1 17 LEU H 1 18 ARG HB3 2.000 . 5.000 5.289 5.272 5.305 0.305 16 0 "[ . 1 . 2]" 1
135 1 14 ALA MB 1 17 LEU H 2.000 . 6.000 3.932 3.893 3.979 . 0 0 "[ . 1 . 2]" 1
136 1 15 LEU HA 1 17 LEU H 2.000 . 4.000 3.348 3.298 3.391 . 0 0 "[ . 1 . 2]" 1
137 1 17 LEU H 1 44 ASP H 2.000 . 5.000 3.841 3.705 3.933 . 0 0 "[ . 1 . 2]" 1
138 1 17 LEU H 1 45 ASP HB3 2.000 . 5.000 3.921 3.853 4.028 . 0 0 "[ . 1 . 2]" 1
139 1 18 ARG H 1 18 ARG HB3 2.000 . 3.500 3.502 3.480 3.518 0.018 10 0 "[ . 1 . 2]" 1
140 1 18 ARG H 1 18 ARG QG 2.000 . 5.000 2.086 1.923 2.249 . 0 0 "[ . 1 . 2]" 1
141 1 17 LEU H 1 18 ARG H 2.000 . 5.000 4.532 4.517 4.549 . 0 0 "[ . 1 . 2]" 1
142 1 17 LEU HA 1 18 ARG H 2.000 . 2.700 2.297 2.286 2.317 . 0 0 "[ . 1 . 2]" 1
143 1 17 LEU HB3 1 18 ARG H 2.000 . 3.500 2.824 2.762 2.860 . 0 0 "[ . 1 . 2]" 1
144 1 17 LEU MD1 1 18 ARG H 2.000 . 5.000 4.217 4.177 4.269 . 0 0 "[ . 1 . 2]" 1
145 1 18 ARG H 1 21 GLU HA 2.000 . 5.000 5.110 5.097 5.126 0.126 13 0 "[ . 1 . 2]" 1
146 1 18 ARG H 1 21 GLU HB3 2.000 . 4.500 3.339 3.248 3.392 . 0 0 "[ . 1 . 2]" 1
147 1 18 ARG H 1 21 GLU HB2 2.000 . 3.500 2.177 2.146 2.216 . 0 0 "[ . 1 . 2]" 1
148 1 18 ARG H 1 21 GLU QG 2.000 . 6.500 3.792 3.406 4.198 . 0 0 "[ . 1 . 2]" 1
149 1 18 ARG H 1 22 PRO HD3 2.000 . 4.500 2.245 2.207 2.298 . 0 0 "[ . 1 . 2]" 1
150 1 18 ARG H 1 22 PRO HD2 2.000 . 5.000 3.843 3.816 3.885 . 0 0 "[ . 1 . 2]" 1
151 1 19 CYS H 1 19 CYS HB3 2.000 . 2.700 2.477 2.467 2.484 . 0 0 "[ . 1 . 2]" 1
152 1 19 CYS H 1 19 CYS HB2 2.000 . 3.200 2.681 2.673 2.691 . 0 0 "[ . 1 . 2]" 1
153 1 18 ARG HA 1 19 CYS H 2.000 . 2.700 2.255 2.245 2.273 . 0 0 "[ . 1 . 2]" 1
154 1 18 ARG HB3 1 19 CYS H 2.000 . 3.500 3.786 3.774 3.801 0.301 20 0 "[ . 1 . 2]" 1
155 1 18 ARG HB2 1 19 CYS H 2.000 . 3.500 2.854 2.802 2.893 . 0 0 "[ . 1 . 2]" 1
156 1 18 ARG QG 1 19 CYS H 2.000 . 6.500 4.166 4.052 4.500 . 0 0 "[ . 1 . 2]" 1
157 1 18 ARG QD 1 19 CYS H 2.000 . 6.500 4.796 3.600 5.524 . 0 0 "[ . 1 . 2]" 1
158 1 19 CYS H 1 22 PRO HD2 2.000 . 5.000 3.472 3.439 3.493 . 0 0 "[ . 1 . 2]" 1
159 1 21 GLU H 1 21 GLU HB2 2.000 . 2.700 2.370 2.298 2.420 . 0 0 "[ . 1 . 2]" 1
160 1 21 GLU H 1 21 GLU QG 2.000 . 6.500 2.524 2.328 2.776 . 0 0 "[ . 1 . 2]" 1
161 1 20 PRO HA 1 21 GLU H 2.000 . 3.500 3.321 3.317 3.328 . 0 0 "[ . 1 . 2]" 1
162 1 20 PRO HG3 1 21 GLU H 2.000 . 4.500 4.590 4.582 4.598 0.098 17 0 "[ . 1 . 2]" 1
163 1 20 PRO HG2 1 21 GLU H 2.000 . 3.500 3.576 3.571 3.582 0.082 2 0 "[ . 1 . 2]" 1
164 1 20 PRO HD3 1 21 GLU H 2.000 . 4.500 3.775 3.759 3.787 . 0 0 "[ . 1 . 2]" 1
165 1 20 PRO HD2 1 21 GLU H 2.000 . 3.500 2.542 2.522 2.556 . 0 0 "[ . 1 . 2]" 1
166 1 21 GLU H 1 22 PRO HD3 2.000 . 2.700 2.860 2.845 2.874 0.174 14 0 "[ . 1 . 2]" 1
167 1 21 GLU H 1 22 PRO HD2 2.000 . 3.000 2.322 2.304 2.335 . 0 0 "[ . 1 . 2]" 1
168 1 19 CYS HA 1 21 GLU H 2.000 . 3.200 2.891 2.883 2.903 . 0 0 "[ . 1 . 2]" 1
169 1 19 CYS HB2 1 21 GLU H 2.000 . 5.000 5.163 5.153 5.171 0.171 7 0 "[ . 1 . 2]" 1
170 1 23 VAL H 1 23 VAL HB 2.000 . 2.700 2.545 2.423 2.703 0.003 8 0 "[ . 1 . 2]" 1
171 1 23 VAL H 1 23 VAL MG1 2.000 . 6.500 3.759 3.733 3.766 . 0 0 "[ . 1 . 2]" 1
172 1 23 VAL H 1 23 VAL MG2 2.000 . 4.000 2.132 1.947 2.238 . 0 0 "[ . 1 . 2]" 1
173 1 22 PRO HA 1 23 VAL H 2.000 . 4.000 3.540 3.534 3.545 . 0 0 "[ . 1 . 2]" 1
174 1 22 PRO HB3 1 23 VAL H 2.000 . 3.500 3.687 3.667 3.707 0.207 18 0 "[ . 1 . 2]" 1
175 1 22 PRO HB2 1 23 VAL H 2.000 . 2.700 2.527 2.490 2.569 . 0 0 "[ . 1 . 2]" 1
176 1 22 PRO HG3 1 23 VAL H 2.000 . 5.000 3.525 3.494 3.546 . 0 0 "[ . 1 . 2]" 1
177 1 22 PRO HG2 1 23 VAL H 2.000 . 4.500 1.989 1.957 2.011 . 0 0 "[ . 1 . 2]" 1
178 1 22 PRO HD3 1 23 VAL H 2.000 . 4.500 3.871 3.822 3.911 . 0 0 "[ . 1 . 2]" 1
179 1 22 PRO HD2 1 23 VAL H 2.000 . 3.000 2.722 2.654 2.778 . 0 0 "[ . 1 . 2]" 1
180 1 23 VAL H 1 52 ILE HB 2.000 . 5.000 5.107 5.077 5.132 0.132 18 0 "[ . 1 . 2]" 1
181 1 23 VAL H 1 52 ILE MD 2.000 . 6.500 3.720 3.581 3.814 . 0 0 "[ . 1 . 2]" 1
182 1 24 MET H 1 24 MET HB2 2.000 . 2.700 2.225 2.189 2.262 . 0 0 "[ . 1 . 2]" 1
183 1 23 VAL H 1 24 MET H 2.000 . 2.700 2.726 2.706 2.742 0.042 2 0 "[ . 1 . 2]" 1
184 1 23 VAL HA 1 24 MET H 2.000 . 4.000 3.507 3.502 3.511 . 0 0 "[ . 1 . 2]" 1
185 1 23 VAL HB 1 24 MET H 2.000 . 2.700 2.855 2.834 2.867 0.167 8 0 "[ . 1 . 2]" 1
186 1 23 VAL MG1 1 24 MET H 2.000 . 6.500 3.673 3.472 3.905 . 0 0 "[ . 1 . 2]" 1
187 1 23 VAL MG2 1 24 MET H 2.000 . 6.500 3.929 3.772 4.039 . 0 0 "[ . 1 . 2]" 1
188 1 21 GLU HA 1 24 MET H 2.000 . 3.200 3.579 3.554 3.599 0.399 12 0 "[ . 1 . 2]" 1
189 1 22 PRO HB2 1 24 MET H 2.000 . 4.500 4.590 4.578 4.610 0.110 18 0 "[ . 1 . 2]" 1
190 1 22 PRO HG2 1 24 MET H 2.000 . 5.000 4.394 4.351 4.444 . 0 0 "[ . 1 . 2]" 1
191 1 22 PRO HD2 1 24 MET H 2.000 . 5.000 3.611 3.565 3.642 . 0 0 "[ . 1 . 2]" 1
192 1 25 MET H 1 25 MET HB2 2.000 . 2.700 2.247 2.208 2.337 . 0 0 "[ . 1 . 2]" 1
193 1 24 MET H 1 25 MET H 2.000 . 2.700 2.575 2.531 2.636 . 0 0 "[ . 1 . 2]" 1
194 1 24 MET HA 1 25 MET H 2.000 . 4.000 3.560 3.547 3.570 . 0 0 "[ . 1 . 2]" 1
195 1 24 MET HB3 1 25 MET H 2.000 . 4.000 3.319 3.216 3.416 . 0 0 "[ . 1 . 2]" 1
196 1 24 MET HB2 1 25 MET H 2.000 . 2.700 2.731 2.716 2.757 0.057 9 0 "[ . 1 . 2]" 1
197 1 25 MET H 1 26 VAL MG2 2.000 . 5.500 4.449 4.387 4.476 . 0 0 "[ . 1 . 2]" 1
198 1 21 GLU HA 1 25 MET H 2.000 . 4.500 4.288 4.234 4.354 . 0 0 "[ . 1 . 2]" 1
199 1 22 PRO HA 1 25 MET H 2.000 . 4.500 3.143 3.089 3.230 . 0 0 "[ . 1 . 2]" 1
200 1 23 VAL H 1 25 MET H 2.000 . 5.000 4.431 4.382 4.514 . 0 0 "[ . 1 . 2]" 1
201 1 23 VAL HA 1 25 MET H 2.000 . 5.000 4.543 4.457 4.578 . 0 0 "[ . 1 . 2]" 1
202 1 26 VAL H 1 26 VAL HB 2.000 . 2.700 2.475 2.439 2.564 . 0 0 "[ . 1 . 2]" 1
203 1 26 VAL H 1 26 VAL MG1 2.000 . 6.500 3.786 3.778 3.809 . 0 0 "[ . 1 . 2]" 1
204 1 26 VAL H 1 26 VAL MG2 2.000 . 4.000 2.384 2.209 2.426 . 0 0 "[ . 1 . 2]" 1
205 1 25 MET H 1 26 VAL H 2.000 . 2.700 2.746 2.725 2.796 0.096 14 0 "[ . 1 . 2]" 1
206 1 25 MET HA 1 26 VAL H 2.000 . 4.000 3.570 3.560 3.583 . 0 0 "[ . 1 . 2]" 1
207 1 25 MET HB3 1 26 VAL H 2.000 . 3.500 3.291 3.101 3.478 . 0 0 "[ . 1 . 2]" 1
208 1 25 MET HB2 1 26 VAL H 2.000 . 2.700 2.717 2.524 2.761 0.061 15 0 "[ . 1 . 2]" 1
209 1 22 PRO HA 1 26 VAL H 2.000 . 4.500 4.361 4.283 4.500 . 0 0 "[ . 1 . 2]" 1
210 1 23 VAL HA 1 26 VAL H 2.000 . 4.000 3.655 3.561 3.775 . 0 0 "[ . 1 . 2]" 1
211 1 24 MET H 1 26 VAL H 2.000 . 5.000 4.134 4.075 4.326 . 0 0 "[ . 1 . 2]" 1
212 1 12 LEU HG 1 26 VAL H 2.000 . 5.000 5.056 5.027 5.092 0.092 14 0 "[ . 1 . 2]" 1
213 1 12 LEU MD2 1 26 VAL H 2.000 . 6.000 2.278 2.259 2.306 . 0 0 "[ . 1 . 2]" 1
214 1 27 ARG H 1 27 ARG QB 2.000 . 4.500 2.201 2.100 2.308 . 0 0 "[ . 1 . 2]" 1
215 1 26 VAL H 1 27 ARG H 2.000 . 2.700 2.608 2.545 2.714 0.014 14 0 "[ . 1 . 2]" 1
216 1 26 VAL HA 1 27 ARG H 2.000 . 4.000 3.500 3.478 3.513 . 0 0 "[ . 1 . 2]" 1
217 1 26 VAL HB 1 27 ARG H 2.000 . 2.700 2.874 2.841 2.919 0.219 2 0 "[ . 1 . 2]" 1
218 1 26 VAL MG1 1 27 ARG H 2.000 . 6.500 3.625 3.566 3.707 . 0 0 "[ . 1 . 2]" 1
219 1 26 VAL MG2 1 27 ARG H 2.000 . 5.000 4.001 3.961 4.035 . 0 0 "[ . 1 . 2]" 1
220 1 25 MET H 1 27 ARG H 2.000 . 5.000 3.916 3.818 3.990 . 0 0 "[ . 1 . 2]" 1
221 1 24 MET HA 1 27 ARG H 2.000 . 3.500 3.293 3.195 3.360 . 0 0 "[ . 1 . 2]" 1
222 1 23 VAL HA 1 27 ARG H 2.000 . 4.500 4.527 4.490 4.547 0.047 3 0 "[ . 1 . 2]" 1
223 1 27 ARG H 1 55 PHE HE2 2.000 . 3.000 2.662 2.534 2.855 . 0 0 "[ . 1 . 2]" 1
224 1 27 ARG H 1 55 PHE HZ 2.000 . 5.000 3.985 3.838 4.070 . 0 0 "[ . 1 . 2]" 1
225 1 27 ARG H 1 28 LYS H 2.000 . 2.700 2.772 2.576 2.819 0.119 11 0 "[ . 1 . 2]" 1
226 1 27 ARG HA 1 28 LYS H 2.000 . 4.000 3.537 3.519 3.548 . 0 0 "[ . 1 . 2]" 1
227 1 26 VAL H 1 28 LYS H 2.000 . 5.000 4.625 4.344 4.745 . 0 0 "[ . 1 . 2]" 1
228 1 26 VAL HA 1 28 LYS H 2.000 . 5.000 4.786 4.368 4.911 . 0 0 "[ . 1 . 2]" 1
229 1 25 MET HA 1 28 LYS H 2.000 . 3.500 3.567 3.460 3.629 0.129 11 0 "[ . 1 . 2]" 1
230 1 24 MET HA 1 28 LYS H 2.000 . 4.500 4.307 4.172 4.471 . 0 0 "[ . 1 . 2]" 1
231 1 28 LYS H 1 30 VAL MG1 2.000 . 6.500 5.668 5.612 5.721 . 0 0 "[ . 1 . 2]" 1
232 1 28 LYS H 1 30 VAL MG2 2.000 . 6.500 5.104 5.013 5.246 . 0 0 "[ . 1 . 2]" 1
233 1 29 THR H 1 29 THR HB 2.000 . 2.700 2.051 2.038 2.093 . 0 0 "[ . 1 . 2]" 1
234 1 29 THR H 1 29 THR MG 2.000 . 5.000 3.553 3.511 3.595 . 0 0 "[ . 1 . 2]" 1
235 1 28 LYS H 1 29 THR H 2.000 . 2.700 2.634 2.279 2.734 0.034 17 0 "[ . 1 . 2]" 1
236 1 27 ARG H 1 29 THR H 2.000 . 5.000 3.904 3.759 4.096 . 0 0 "[ . 1 . 2]" 1
237 1 26 VAL HA 1 29 THR H 2.000 . 3.500 3.540 3.419 3.570 0.070 13 0 "[ . 1 . 2]" 1
238 1 25 MET HA 1 29 THR H 2.000 . 4.500 4.007 3.905 4.162 . 0 0 "[ . 1 . 2]" 1
239 1 30 VAL H 1 30 VAL HB 2.000 . 2.700 2.188 2.129 2.246 . 0 0 "[ . 1 . 2]" 1
240 1 30 VAL H 1 30 VAL MG1 2.000 . 6.500 3.625 3.586 3.656 . 0 0 "[ . 1 . 2]" 1
241 1 30 VAL H 1 30 VAL MG2 2.000 . 4.000 2.660 2.595 2.772 . 0 0 "[ . 1 . 2]" 1
242 1 29 THR H 1 30 VAL H 2.000 . 2.700 2.415 2.252 2.531 . 0 0 "[ . 1 . 2]" 1
243 1 29 THR HA 1 30 VAL H 2.000 . 4.000 3.472 3.460 3.485 . 0 0 "[ . 1 . 2]" 1
244 1 29 THR HB 1 30 VAL H 2.000 . 2.700 2.746 2.724 2.771 0.071 3 0 "[ . 1 . 2]" 1
245 1 29 THR MG 1 30 VAL H 2.000 . 5.000 2.936 2.847 3.183 . 0 0 "[ . 1 . 2]" 1
246 1 28 LYS H 1 30 VAL H 2.000 . 5.000 3.802 3.622 3.865 . 0 0 "[ . 1 . 2]" 1
247 1 27 ARG HA 1 30 VAL H 2.000 . 3.500 3.352 3.147 3.474 . 0 0 "[ . 1 . 2]" 1
248 1 27 ARG QG 1 30 VAL H 2.000 . 6.000 5.194 4.739 5.371 . 0 0 "[ . 1 . 2]" 1
249 1 27 ARG QD 1 30 VAL H 2.000 . 6.000 5.238 4.952 5.540 . 0 0 "[ . 1 . 2]" 1
250 1 26 VAL HA 1 30 VAL H 2.000 . 4.000 3.752 3.563 3.888 . 0 0 "[ . 1 . 2]" 1
251 1 26 VAL MG1 1 30 VAL H 2.000 . 6.000 3.581 3.491 3.666 . 0 0 "[ . 1 . 2]" 1
252 1 31 ARG H 1 31 ARG HB2 2.000 . 2.700 2.428 2.346 2.538 . 0 0 "[ . 1 . 2]" 1
253 1 31 ARG H 1 31 ARG QG 2.000 . 4.000 2.325 2.210 2.483 . 0 0 "[ . 1 . 2]" 1
254 1 31 ARG H 1 31 ARG QD 2.000 . 5.000 3.817 3.327 4.124 . 0 0 "[ . 1 . 2]" 1
255 1 30 VAL H 1 31 ARG H 2.000 . 2.700 2.362 2.315 2.387 . 0 0 "[ . 1 . 2]" 1
256 1 30 VAL HA 1 31 ARG H 2.000 . 4.000 3.459 3.446 3.482 . 0 0 "[ . 1 . 2]" 1
257 1 30 VAL HB 1 31 ARG H 2.000 . 2.700 2.845 2.754 2.881 0.181 18 0 "[ . 1 . 2]" 1
258 1 30 VAL MG1 1 31 ARG H 2.000 . 6.500 3.253 3.109 3.422 . 0 0 "[ . 1 . 2]" 1
259 1 30 VAL MG2 1 31 ARG H 2.000 . 6.500 4.072 4.043 4.102 . 0 0 "[ . 1 . 2]" 1
260 1 28 LYS HA 1 31 ARG H 2.000 . 3.500 3.107 3.001 3.212 . 0 0 "[ . 1 . 2]" 1
261 1 29 THR H 1 31 ARG H 2.000 . 5.000 3.672 3.553 3.762 . 0 0 "[ . 1 . 2]" 1
262 1 29 THR HA 1 31 ARG H 2.000 . 5.000 3.953 3.878 4.118 . 0 0 "[ . 1 . 2]" 1
263 1 29 THR MG 1 31 ARG H 2.000 . 6.500 4.455 4.409 4.570 . 0 0 "[ . 1 . 2]" 1
264 1 32 ASN H 1 32 ASN HB3 2.000 . 3.500 2.842 2.600 3.052 . 0 0 "[ . 1 . 2]" 1
265 1 31 ARG H 1 32 ASN H 2.000 . 2.700 2.390 2.341 2.453 . 0 0 "[ . 1 . 2]" 1
266 1 31 ARG HA 1 32 ASN H 2.000 . 4.000 3.522 3.504 3.550 . 0 0 "[ . 1 . 2]" 1
267 1 31 ARG HB3 1 32 ASN H 2.000 . 4.000 3.826 3.746 3.876 . 0 0 "[ . 1 . 2]" 1
268 1 31 ARG HB2 1 32 ASN H 2.000 . 2.700 2.795 2.764 2.834 0.134 17 0 "[ . 1 . 2]" 1
269 1 31 ARG QG 1 32 ASN H 2.000 . 6.500 4.078 3.968 4.210 . 0 0 "[ . 1 . 2]" 1
270 1 30 VAL H 1 32 ASN H 2.000 . 5.000 3.809 3.725 3.897 . 0 0 "[ . 1 . 2]" 1
271 1 30 VAL MG1 1 32 ASN H 2.000 . 6.500 4.750 4.674 4.850 . 0 0 "[ . 1 . 2]" 1
272 1 29 THR HA 1 32 ASN H 2.000 . 4.000 3.084 3.034 3.145 . 0 0 "[ . 1 . 2]" 1
273 1 29 THR HB 1 32 ASN H 2.000 . 5.000 5.250 5.199 5.328 0.328 15 0 "[ . 1 . 2]" 1
274 1 29 THR MG 1 32 ASN H 2.000 . 6.500 4.354 4.237 4.424 . 0 0 "[ . 1 . 2]" 1
275 1 33 MET H 1 33 MET HB2 2.000 . 2.700 2.255 2.229 2.293 . 0 0 "[ . 1 . 2]" 1
276 1 33 MET H 1 33 MET HG3 2.000 . 4.200 3.357 3.291 3.440 . 0 0 "[ . 1 . 2]" 1
277 1 33 MET H 1 33 MET ME 2.000 . 6.500 4.780 4.715 4.824 . 0 0 "[ . 1 . 2]" 1
278 1 32 ASN H 1 33 MET H 2.000 . 2.700 2.317 2.237 2.401 . 0 0 "[ . 1 . 2]" 1
279 1 32 ASN HA 1 33 MET H 2.000 . 4.000 3.245 3.178 3.288 . 0 0 "[ . 1 . 2]" 1
280 1 32 ASN HB3 1 33 MET H 2.000 . 4.500 4.378 4.203 4.493 . 0 0 "[ . 1 . 2]" 1
281 1 32 ASN HB2 1 33 MET H 2.000 . 5.000 4.408 4.291 4.587 . 0 0 "[ . 1 . 2]" 1
282 1 31 ARG H 1 33 MET H 2.000 . 5.000 3.659 3.575 3.743 . 0 0 "[ . 1 . 2]" 1
283 1 31 ARG HA 1 33 MET H 2.000 . 5.000 3.916 3.824 4.037 . 0 0 "[ . 1 . 2]" 1
284 1 30 VAL HA 1 33 MET H 2.000 . 3.500 3.272 3.148 3.353 . 0 0 "[ . 1 . 2]" 1
285 1 30 VAL MG1 1 33 MET H 2.000 . 6.000 4.374 4.315 4.440 . 0 0 "[ . 1 . 2]" 1
286 1 30 VAL MG2 1 33 MET H 2.000 . 6.500 4.997 4.926 5.066 . 0 0 "[ . 1 . 2]" 1
287 1 29 THR HA 1 33 MET H 2.000 . 5.000 4.338 4.205 4.568 . 0 0 "[ . 1 . 2]" 1
288 1 34 GLN H 1 34 GLN HB2 2.000 . 2.700 2.677 2.554 2.734 0.034 19 0 "[ . 1 . 2]" 1
289 1 34 GLN H 1 34 GLN QG 2.000 . 5.000 3.160 2.589 3.585 . 0 0 "[ . 1 . 2]" 1
290 1 33 MET H 1 34 GLN H 2.000 . 5.000 4.542 4.478 4.592 . 0 0 "[ . 1 . 2]" 1
291 1 33 MET HA 1 34 GLN H 2.000 . 2.700 2.525 2.418 2.607 . 0 0 "[ . 1 . 2]" 1
292 1 33 MET QB 1 34 GLN H 2.000 . 5.000 2.214 2.029 2.457 . 0 0 "[ . 1 . 2]" 1
293 1 33 MET QG 1 34 GLN H 2.000 . 4.000 3.340 3.272 3.376 . 0 0 "[ . 1 . 2]" 1
294 1 33 MET ME 1 34 GLN H 2.000 . 6.500 2.160 2.012 2.389 . 0 0 "[ . 1 . 2]" 1
295 1 34 GLN H 1 35 PRO HA 2.000 . 5.000 4.969 4.903 5.031 0.031 19 0 "[ . 1 . 2]" 1
296 1 34 GLN H 1 35 PRO HD2 2.000 . 5.000 4.851 4.836 4.877 . 0 0 "[ . 1 . 2]" 1
297 1 35 PRO HA 1 36 GLY H 2.000 . 2.700 2.150 2.108 2.184 . 0 0 "[ . 1 . 2]" 1
298 1 35 PRO HB3 1 36 GLY H 2.000 . 4.000 4.072 4.025 4.104 0.104 9 0 "[ . 1 . 2]" 1
299 1 33 MET ME 1 36 GLY H 2.000 . 5.500 4.566 4.527 4.592 . 0 0 "[ . 1 . 2]" 1
300 1 36 GLY H 1 79 LYS H 2.000 . 4.500 4.490 4.344 4.529 0.029 2 0 "[ . 1 . 2]" 1
301 1 36 GLY H 1 79 LYS HA 2.000 . 5.000 5.042 4.650 5.100 0.100 17 0 "[ . 1 . 2]" 1
302 1 36 GLY H 1 79 LYS QB 2.000 . 6.000 3.707 3.075 4.059 . 0 0 "[ . 1 . 2]" 1
303 1 36 GLY H 1 79 LYS QD 2.000 . 6.500 5.019 3.480 5.862 . 0 0 "[ . 1 . 2]" 1
304 1 37 GLU H 1 37 GLU HB3 2.000 . 3.500 3.594 3.564 3.630 0.130 2 0 "[ . 1 . 2]" 1
305 1 37 GLU H 1 37 GLU HB2 2.000 . 2.700 2.416 2.366 2.458 . 0 0 "[ . 1 . 2]" 1
306 1 37 GLU H 1 37 GLU QG 2.000 . 5.500 3.561 3.198 3.985 . 0 0 "[ . 1 . 2]" 1
307 1 36 GLY H 1 37 GLU H 2.000 . 2.700 1.935 1.827 2.086 . 0 0 "[ . 1 . 2]" 1
308 1 36 GLY QA 1 37 GLU H 2.000 . 6.000 2.874 2.828 2.902 . 0 0 "[ . 1 . 2]" 1
309 1 33 MET ME 1 37 GLU H 2.000 . 6.500 3.348 3.262 3.441 . 0 0 "[ . 1 . 2]" 1
310 1 34 GLN HB2 1 37 GLU H 2.000 . 5.000 4.945 4.744 5.016 0.016 9 0 "[ . 1 . 2]" 1
311 1 35 PRO HA 1 37 GLU H 2.000 . 4.000 3.367 3.319 3.436 . 0 0 "[ . 1 . 2]" 1
312 1 37 GLU H 1 79 LYS H 2.000 . 4.500 3.511 3.314 3.634 . 0 0 "[ . 1 . 2]" 1
313 1 37 GLU H 1 78 ARG QB 2.000 . 5.500 4.808 3.688 4.990 . 0 0 "[ . 1 . 2]" 1
314 1 37 GLU H 1 78 ARG QG 2.000 . 5.500 3.136 2.730 4.742 . 0 0 "[ . 1 . 2]" 1
315 1 37 GLU H 1 78 ARG QD 2.000 . 7.000 4.410 3.376 6.224 . 0 0 "[ . 1 . 2]" 1
316 1 38 THR H 1 38 THR MG 2.000 . 4.500 3.429 3.381 3.478 . 0 0 "[ . 1 . 2]" 1
317 1 38 THR H 1 38 THR HG1 2.000 . 3.500 3.057 1.915 3.446 . 0 0 "[ . 1 . 2]" 1
318 1 37 GLU H 1 38 THR H 2.000 . 5.000 4.448 4.428 4.470 . 0 0 "[ . 1 . 2]" 1
319 1 37 GLU HA 1 38 THR H 2.000 . 2.700 2.679 2.668 2.691 . 0 0 "[ . 1 . 2]" 1
320 1 37 GLU HB3 1 38 THR H 2.000 . 3.500 2.049 2.008 2.095 . 0 0 "[ . 1 . 2]" 1
321 1 37 GLU HB2 1 38 THR H 2.000 . 5.000 3.538 3.480 3.570 . 0 0 "[ . 1 . 2]" 1
322 1 37 GLU QG 1 38 THR H 2.000 . 6.000 3.458 3.184 3.944 . 0 0 "[ . 1 . 2]" 1
323 1 33 MET ME 1 38 THR H 2.000 . 6.500 2.659 2.572 2.808 . 0 0 "[ . 1 . 2]" 1
324 1 8 PRO HA 1 38 THR H 2.000 . 5.000 4.983 4.814 5.023 0.023 14 0 "[ . 1 . 2]" 1
325 1 9 ASP HA 1 38 THR H 2.000 . 5.000 4.715 4.591 4.818 . 0 0 "[ . 1 . 2]" 1
326 1 9 ASP HB3 1 38 THR H 2.000 . 4.000 3.547 3.375 3.677 . 0 0 "[ . 1 . 2]" 1
327 1 9 ASP HB2 1 38 THR H 2.000 . 3.000 2.083 1.910 2.190 . 0 0 "[ . 1 . 2]" 1
328 1 10 HIS HD2 1 38 THR H 2.000 . 4.500 4.489 4.181 4.526 0.026 16 0 "[ . 1 . 2]" 1
329 1 38 THR H 1 78 ARG HA 2.000 . 5.000 4.372 4.295 4.421 . 0 0 "[ . 1 . 2]" 1
330 1 39 LEU H 1 39 LEU HB3 2.000 . 2.700 2.698 2.578 2.720 0.020 19 0 "[ . 1 . 2]" 1
331 1 39 LEU H 1 39 LEU HB2 2.000 . 3.500 3.413 3.272 3.449 . 0 0 "[ . 1 . 2]" 1
332 1 39 LEU H 1 39 LEU HG 2.000 . 4.500 4.272 4.253 4.292 . 0 0 "[ . 1 . 2]" 1
333 1 39 LEU H 1 39 LEU MD1 2.000 . 6.000 4.597 4.539 4.612 . 0 0 "[ . 1 . 2]" 1
334 1 39 LEU H 1 39 LEU MD2 2.000 . 6.500 4.347 4.285 4.380 . 0 0 "[ . 1 . 2]" 1
335 1 38 THR HA 1 39 LEU H 2.000 . 2.700 2.306 2.192 2.340 . 0 0 "[ . 1 . 2]" 1
336 1 38 THR HB 1 39 LEU H 2.000 . 3.200 2.773 2.704 3.075 . 0 0 "[ . 1 . 2]" 1
337 1 38 THR MG 1 39 LEU H 2.000 . 4.500 3.323 3.219 3.522 . 0 0 "[ . 1 . 2]" 1
338 1 39 LEU H 1 76 LEU MD1 2.000 . 5.000 2.223 1.958 2.797 . 0 0 "[ . 1 . 2]" 1
339 1 39 LEU H 1 77 ILE H 2.000 . 3.000 2.369 2.279 2.540 . 0 0 "[ . 1 . 2]" 1
340 1 39 LEU H 1 78 ARG HA 2.000 . 5.000 3.455 3.224 3.565 . 0 0 "[ . 1 . 2]" 1
341 1 40 LEU H 1 40 LEU HB3 2.000 . 2.700 2.362 2.336 2.423 . 0 0 "[ . 1 . 2]" 1
342 1 40 LEU H 1 40 LEU HB2 2.000 . 3.500 2.942 2.876 2.991 . 0 0 "[ . 1 . 2]" 1
343 1 40 LEU H 1 40 LEU HG 2.000 . 5.000 4.243 4.199 4.321 . 0 0 "[ . 1 . 2]" 1
344 1 40 LEU H 1 40 LEU MD1 2.000 . 5.500 4.230 4.175 4.327 . 0 0 "[ . 1 . 2]" 1
345 1 39 LEU HA 1 40 LEU H 2.000 . 2.700 2.234 2.229 2.242 . 0 0 "[ . 1 . 2]" 1
346 1 39 LEU HB2 1 40 LEU H 2.000 . 4.500 4.352 4.333 4.368 . 0 0 "[ . 1 . 2]" 1
347 1 39 LEU MD1 1 40 LEU H 2.000 . 4.200 3.226 3.186 3.258 . 0 0 "[ . 1 . 2]" 1
348 1 39 LEU MD2 1 40 LEU H 2.000 . 6.000 4.594 4.553 4.634 . 0 0 "[ . 1 . 2]" 1
349 1 8 PRO HA 1 40 LEU H 2.000 . 5.000 5.051 5.037 5.074 0.074 10 0 "[ . 1 . 2]" 1
350 1 8 PRO HB3 1 40 LEU H 2.000 . 4.000 3.210 3.175 3.265 . 0 0 "[ . 1 . 2]" 1
351 1 8 PRO HG2 1 40 LEU H 2.000 . 5.000 3.152 2.999 3.275 . 0 0 "[ . 1 . 2]" 1
352 1 10 HIS HB2 1 40 LEU H 2.000 . 5.000 4.402 4.316 4.474 . 0 0 "[ . 1 . 2]" 1
353 1 11 THR HA 1 40 LEU H 2.000 . 3.000 2.604 2.561 2.667 . 0 0 "[ . 1 . 2]" 1
354 1 40 LEU H 1 76 LEU MD1 2.000 . 6.000 2.956 2.894 2.993 . 0 0 "[ . 1 . 2]" 1
355 1 41 ILE H 1 41 ILE HB 2.000 . 3.200 2.892 2.848 2.934 . 0 0 "[ . 1 . 2]" 1
356 1 41 ILE H 1 41 ILE HG13 2.000 . 2.700 2.725 2.681 2.743 0.043 15 0 "[ . 1 . 2]" 1
357 1 41 ILE H 1 41 ILE HG12 2.000 . 3.500 3.317 3.282 3.363 . 0 0 "[ . 1 . 2]" 1
358 1 40 LEU H 1 41 ILE H 2.000 . 5.000 4.597 4.580 4.613 . 0 0 "[ . 1 . 2]" 1
359 1 40 LEU HA 1 41 ILE H 2.000 . 2.700 2.289 2.261 2.331 . 0 0 "[ . 1 . 2]" 1
360 1 40 LEU HB3 1 41 ILE H 2.000 . 5.000 4.102 4.000 4.175 . 0 0 "[ . 1 . 2]" 1
361 1 40 LEU HB2 1 41 ILE H 2.000 . 4.500 4.001 3.923 4.069 . 0 0 "[ . 1 . 2]" 1
362 1 40 LEU HG 1 41 ILE H 2.000 . 4.500 2.567 2.217 2.811 . 0 0 "[ . 1 . 2]" 1
363 1 40 LEU MD2 1 41 ILE H 2.000 . 5.000 4.051 3.927 4.153 . 0 0 "[ . 1 . 2]" 1
364 1 41 ILE H 1 75 TYR H 2.000 . 3.500 2.565 2.486 2.705 . 0 0 "[ . 1 . 2]" 1
365 1 41 ILE H 1 75 TYR HB2 2.000 . 5.000 4.393 4.290 4.499 . 0 0 "[ . 1 . 2]" 1
366 1 41 ILE H 1 75 TYR HD2 2.000 . 5.000 4.737 4.574 4.905 . 0 0 "[ . 1 . 2]" 1
367 1 41 ILE H 1 76 LEU H 2.000 . 5.000 4.698 4.608 4.773 . 0 0 "[ . 1 . 2]" 1
368 1 41 ILE H 1 76 LEU HA 2.000 . 4.000 3.231 3.103 3.339 . 0 0 "[ . 1 . 2]" 1
369 1 42 ILE H 1 42 ILE HB 2.000 . 3.500 2.816 2.643 3.017 . 0 0 "[ . 1 . 2]" 1
370 1 42 ILE H 1 42 ILE HG13 2.000 . 3.500 2.563 2.203 2.905 . 0 0 "[ . 1 . 2]" 1
371 1 42 ILE H 1 42 ILE HG12 2.000 . 3.500 3.093 2.822 3.317 . 0 0 "[ . 1 . 2]" 1
372 1 41 ILE HA 1 42 ILE H 2.000 . 2.700 2.283 2.227 2.358 . 0 0 "[ . 1 . 2]" 1
373 1 41 ILE MG 1 42 ILE H 2.000 . 5.000 2.272 1.845 2.756 . 0 0 "[ . 1 . 2]" 1
374 1 13 ASP HA 1 42 ILE H 2.000 . 3.000 3.013 2.914 3.052 0.052 13 0 "[ . 1 . 2]" 1
375 1 15 LEU H 1 42 ILE H 2.000 . 5.000 5.261 5.230 5.292 0.292 10 0 "[ . 1 . 2]" 1
376 1 43 ALA H 1 43 ALA MB 2.000 . 4.500 2.802 2.785 2.814 . 0 0 "[ . 1 . 2]" 1
377 1 42 ILE H 1 43 ALA H 2.000 . 5.000 4.444 4.370 4.523 . 0 0 "[ . 1 . 2]" 1
378 1 42 ILE HA 1 43 ALA H 2.000 . 2.700 2.391 2.339 2.421 . 0 0 "[ . 1 . 2]" 1
379 1 42 ILE HB 1 43 ALA H 2.000 . 5.000 3.371 3.171 3.681 . 0 0 "[ . 1 . 2]" 1
380 1 42 ILE QG 1 43 ALA H 2.000 . 6.500 4.256 4.192 4.294 . 0 0 "[ . 1 . 2]" 1
381 1 42 ILE MG 1 43 ALA H 2.000 . 4.200 1.782 1.750 1.808 0.050 2 0 "[ . 1 . 2]" 1
382 1 42 ILE MD 1 43 ALA H 2.000 . 5.000 4.422 4.380 4.460 . 0 0 "[ . 1 . 2]" 1
383 1 15 LEU HA 1 43 ALA H 2.000 . 5.000 4.863 4.777 4.919 . 0 0 "[ . 1 . 2]" 1
384 1 15 LEU MD2 1 43 ALA H 2.000 . 6.000 2.213 2.079 2.541 . 0 0 "[ . 1 . 2]" 1
385 1 43 ALA H 1 72 PRO HA 2.000 . 5.000 4.462 4.311 4.574 . 0 0 "[ . 1 . 2]" 1
386 1 43 ALA H 1 72 PRO HB3 2.000 . 4.500 4.039 3.903 4.137 . 0 0 "[ . 1 . 2]" 1
387 1 43 ALA H 1 72 PRO HB2 2.000 . 4.000 2.583 2.437 2.675 . 0 0 "[ . 1 . 2]" 1
388 1 43 ALA H 1 73 TYR H 2.000 . 3.500 3.348 3.247 3.429 . 0 0 "[ . 1 . 2]" 1
389 1 43 ALA H 1 73 TYR HA 2.000 . 5.000 4.741 4.662 4.800 . 0 0 "[ . 1 . 2]" 1
390 1 43 ALA H 1 73 TYR HB3 2.000 . 5.000 5.070 5.024 5.112 0.112 16 0 "[ . 1 . 2]" 1
391 1 43 ALA H 1 73 TYR HB2 2.000 . 4.000 3.591 3.549 3.630 . 0 0 "[ . 1 . 2]" 1
392 1 43 ALA H 1 73 TYR HD2 2.000 . 5.000 3.991 3.953 4.031 . 0 0 "[ . 1 . 2]" 1
393 1 43 ALA H 1 73 TYR HE2 2.000 . 6.000 6.143 6.105 6.175 0.175 20 0 "[ . 1 . 2]" 1
394 1 43 ALA H 1 74 ARG HA 2.000 . 4.000 3.716 3.663 3.768 . 0 0 "[ . 1 . 2]" 1
395 1 43 ALA H 1 74 ARG QG 2.000 . 6.000 3.255 3.202 3.339 . 0 0 "[ . 1 . 2]" 1
396 1 44 ASP H 1 44 ASP HB3 2.000 . 3.500 2.881 2.661 2.945 . 0 0 "[ . 1 . 2]" 1
397 1 43 ALA H 1 44 ASP H 2.000 . 5.000 4.066 4.038 4.101 . 0 0 "[ . 1 . 2]" 1
398 1 43 ALA HA 1 44 ASP H 2.000 . 2.700 2.176 2.162 2.186 . 0 0 "[ . 1 . 2]" 1
399 1 43 ALA MB 1 44 ASP H 2.000 . 4.200 3.172 3.129 3.196 . 0 0 "[ . 1 . 2]" 1
400 1 44 ASP H 1 45 ASP HA 2.000 . 5.000 4.558 4.545 4.573 . 0 0 "[ . 1 . 2]" 1
401 1 44 ASP H 1 45 ASP HB3 2.000 . 3.500 3.669 3.645 3.690 0.190 7 0 "[ . 1 . 2]" 1
402 1 44 ASP H 1 45 ASP HB2 2.000 . 4.700 4.460 4.420 4.507 . 0 0 "[ . 1 . 2]" 1
403 1 44 ASP H 1 48 THR MG 2.000 . 6.000 4.196 3.969 4.283 . 0 0 "[ . 1 . 2]" 1
404 1 14 ALA MB 1 44 ASP H 2.000 . 6.500 3.607 3.539 3.657 . 0 0 "[ . 1 . 2]" 1
405 1 15 LEU HA 1 44 ASP H 2.000 . 5.000 1.740 1.714 1.765 0.086 17 0 "[ . 1 . 2]" 1
406 1 15 LEU MD1 1 44 ASP H 2.000 . 6.500 4.730 4.547 4.937 . 0 0 "[ . 1 . 2]" 1
407 1 15 LEU MD2 1 44 ASP H 2.000 . 4.000 2.305 2.037 2.653 . 0 0 "[ . 1 . 2]" 1
408 1 44 ASP H 1 72 PRO HA 2.000 . 5.000 5.034 5.018 5.057 0.057 13 0 "[ . 1 . 2]" 1
409 1 45 ASP H 1 45 ASP HB3 2.000 . 3.500 2.144 2.114 2.184 . 0 0 "[ . 1 . 2]" 1
410 1 45 ASP H 1 45 ASP HB2 2.000 . 2.700 2.806 2.780 2.832 0.132 12 0 "[ . 1 . 2]" 1
411 1 44 ASP H 1 45 ASP H 2.000 . 2.700 1.817 1.792 1.836 0.008 13 0 "[ . 1 . 2]" 1
412 1 44 ASP HA 1 45 ASP H 2.000 . 3.500 3.448 3.442 3.456 . 0 0 "[ . 1 . 2]" 1
413 1 44 ASP HB3 1 45 ASP H 2.000 . 5.000 3.956 3.719 4.028 . 0 0 "[ . 1 . 2]" 1
414 1 44 ASP HB2 1 45 ASP H 2.000 . 4.000 4.133 4.100 4.211 0.211 13 0 "[ . 1 . 2]" 1
415 1 43 ALA MB 1 45 ASP H 2.000 . 4.500 3.353 3.291 3.417 . 0 0 "[ . 1 . 2]" 1
416 1 45 ASP H 1 48 THR HG1 2.000 . 5.000 3.443 2.757 4.238 . 0 0 "[ . 1 . 2]" 1
417 1 45 ASP H 1 48 THR MG 2.000 . 4.500 3.439 3.185 3.621 . 0 0 "[ . 1 . 2]" 1
418 1 16 GLY H 1 45 ASP H 2.000 . 5.000 2.864 2.697 2.939 . 0 0 "[ . 1 . 2]" 1
419 1 18 ARG HA 1 45 ASP H 2.000 . 5.000 5.170 5.151 5.190 0.190 20 0 "[ . 1 . 2]" 1
420 1 45 ASP H 1 73 TYR HD2 2.000 . 4.500 4.625 4.603 4.648 0.148 17 0 "[ . 1 . 2]" 1
421 1 45 ASP H 1 73 TYR HE2 2.000 . 5.000 4.513 4.450 4.560 . 0 0 "[ . 1 . 2]" 1
422 1 47 ALA H 1 47 ALA MB 2.000 . 4.200 2.248 2.134 2.324 . 0 0 "[ . 1 . 2]" 1
423 1 46 PRO HA 1 47 ALA H 2.000 . 5.000 3.437 3.424 3.447 . 0 0 "[ . 1 . 2]" 1
424 1 46 PRO HB3 1 47 ALA H 2.000 . 5.000 4.274 4.266 4.283 . 0 0 "[ . 1 . 2]" 1
425 1 46 PRO HB2 1 47 ALA H 2.000 . 3.500 3.550 3.538 3.566 0.066 11 0 "[ . 1 . 2]" 1
426 1 46 PRO HG2 1 47 ALA H 2.000 . 3.500 3.001 2.976 3.031 . 0 0 "[ . 1 . 2]" 1
427 1 46 PRO HD3 1 47 ALA H 2.000 . 3.500 3.623 3.611 3.631 0.131 10 0 "[ . 1 . 2]" 1
428 1 46 PRO HD2 1 47 ALA H 2.000 . 4.500 2.311 2.292 2.329 . 0 0 "[ . 1 . 2]" 1
429 1 45 ASP HA 1 47 ALA H 2.000 . 5.000 3.815 3.787 3.838 . 0 0 "[ . 1 . 2]" 1
430 1 47 ALA H 1 48 THR HG1 2.000 . 5.000 4.260 3.611 4.707 . 0 0 "[ . 1 . 2]" 1
431 1 47 ALA H 1 73 TYR HE2 2.000 . 5.000 5.062 5.036 5.091 0.091 8 0 "[ . 1 . 2]" 1
432 1 48 THR H 1 48 THR MG 2.000 . 4.200 2.862 2.790 2.922 . 0 0 "[ . 1 . 2]" 1
433 1 48 THR H 1 48 THR HG1 2.000 . 2.700 2.432 2.060 2.708 0.008 12 0 "[ . 1 . 2]" 1
434 1 47 ALA H 1 48 THR H 2.000 . 2.700 2.446 2.419 2.462 . 0 0 "[ . 1 . 2]" 1
435 1 47 ALA HA 1 48 THR H 2.000 . 3.500 3.324 3.321 3.329 . 0 0 "[ . 1 . 2]" 1
436 1 47 ALA MB 1 48 THR H 2.000 . 4.200 3.261 3.236 3.293 . 0 0 "[ . 1 . 2]" 1
437 1 45 ASP HA 1 48 THR H 2.000 . 5.000 4.705 4.674 4.727 . 0 0 "[ . 1 . 2]" 1
438 1 45 ASP HB3 1 48 THR H 2.000 . 5.000 3.580 3.494 3.687 . 0 0 "[ . 1 . 2]" 1
439 1 46 PRO HA 1 48 THR H 2.000 . 4.500 3.723 3.689 3.750 . 0 0 "[ . 1 . 2]" 1
440 1 48 THR H 1 73 TYR HD2 2.000 . 5.000 4.974 4.937 5.003 0.003 2 0 "[ . 1 . 2]" 1
441 1 48 THR H 1 73 TYR HE2 2.000 . 5.000 4.428 4.375 4.480 . 0 0 "[ . 1 . 2]" 1
442 1 49 THR H 1 49 THR MG 2.000 . 4.200 1.788 1.771 1.807 0.029 3 0 "[ . 1 . 2]" 1
443 1 48 THR H 1 49 THR H 2.000 . 2.700 2.369 2.335 2.414 . 0 0 "[ . 1 . 2]" 1
444 1 48 THR HA 1 49 THR H 2.000 . 4.000 3.554 3.548 3.563 . 0 0 "[ . 1 . 2]" 1
445 1 48 THR HB 1 49 THR H 2.000 . 3.500 3.417 3.263 3.482 . 0 0 "[ . 1 . 2]" 1
446 1 48 THR MG 1 49 THR H 2.000 . 6.000 4.045 3.997 4.082 . 0 0 "[ . 1 . 2]" 1
447 1 48 THR HG1 1 49 THR H 2.000 . 3.500 2.766 1.887 3.498 . 0 0 "[ . 1 . 2]" 1
448 1 47 ALA HA 1 49 THR H 2.000 . 5.000 4.405 4.356 4.463 . 0 0 "[ . 1 . 2]" 1
449 1 47 ALA MB 1 49 THR H 2.000 . 6.500 4.949 4.921 4.992 . 0 0 "[ . 1 . 2]" 1
450 1 46 PRO HA 1 49 THR H 2.000 . 4.500 3.891 3.810 3.989 . 0 0 "[ . 1 . 2]" 1
451 1 50 ARG H 1 50 ARG HB2 2.000 . 2.700 2.342 2.316 2.356 . 0 0 "[ . 1 . 2]" 1
452 1 50 ARG H 1 50 ARG HG3 2.000 . 3.500 3.044 2.813 3.373 . 0 0 "[ . 1 . 2]" 1
453 1 50 ARG H 1 50 ARG HG2 2.000 . 5.000 3.729 3.169 4.311 . 0 0 "[ . 1 . 2]" 1
454 1 49 THR H 1 50 ARG H 2.000 . 2.700 2.664 2.626 2.706 0.006 20 0 "[ . 1 . 2]" 1
455 1 49 THR HA 1 50 ARG H 2.000 . 4.000 3.504 3.494 3.519 . 0 0 "[ . 1 . 2]" 1
456 1 49 THR MG 1 50 ARG H 2.000 . 6.000 3.352 3.326 3.391 . 0 0 "[ . 1 . 2]" 1
457 1 47 ALA HA 1 50 ARG H 2.000 . 3.500 3.585 3.572 3.599 0.099 19 0 "[ . 1 . 2]" 1
458 1 47 ALA MB 1 50 ARG H 2.000 . 6.000 4.707 4.679 4.744 . 0 0 "[ . 1 . 2]" 1
459 1 48 THR HA 1 50 ARG H 2.000 . 4.500 3.956 3.889 4.017 . 0 0 "[ . 1 . 2]" 1
460 1 50 ARG H 1 73 TYR HE2 2.000 . 6.000 6.217 6.199 6.241 0.241 5 0 "[ . 1 . 2]" 1
461 1 51 ASP H 1 51 ASP HB2 2.000 . 2.700 2.451 2.393 2.529 . 0 0 "[ . 1 . 2]" 1
462 1 50 ARG H 1 51 ASP H 2.000 . 2.700 2.351 2.336 2.365 . 0 0 "[ . 1 . 2]" 1
463 1 50 ARG HA 1 51 ASP H 2.000 . 4.000 3.542 3.536 3.548 . 0 0 "[ . 1 . 2]" 1
464 1 50 ARG HB3 1 51 ASP H 2.000 . 3.500 3.529 3.518 3.548 0.048 4 0 "[ . 1 . 2]" 1
465 1 50 ARG HB2 1 51 ASP H 2.000 . 2.700 2.746 2.728 2.770 0.070 11 0 "[ . 1 . 2]" 1
466 1 50 ARG HG3 1 51 ASP H 2.000 . 5.000 4.648 4.540 4.782 . 0 0 "[ . 1 . 2]" 1
467 1 49 THR H 1 51 ASP H 2.000 . 4.500 4.210 4.166 4.255 . 0 0 "[ . 1 . 2]" 1
468 1 48 THR HA 1 51 ASP H 2.000 . 3.500 3.148 3.092 3.203 . 0 0 "[ . 1 . 2]" 1
469 1 47 ALA HA 1 51 ASP H 2.000 . 5.000 3.852 3.776 3.919 . 0 0 "[ . 1 . 2]" 1
470 1 51 ASP H 1 53 PRO HD3 2.000 . 5.000 4.287 4.225 4.375 . 0 0 "[ . 1 . 2]" 1
471 1 51 ASP H 1 53 PRO HD2 2.000 . 4.500 3.056 3.022 3.081 . 0 0 "[ . 1 . 2]" 1
472 1 52 ILE H 1 52 ILE HB 2.000 . 2.700 2.241 2.230 2.251 . 0 0 "[ . 1 . 2]" 1
473 1 52 ILE H 1 52 ILE QG 2.000 . 4.500 2.727 2.694 2.753 . 0 0 "[ . 1 . 2]" 1
474 1 52 ILE H 1 52 ILE MG 2.000 . 5.000 3.680 3.671 3.690 . 0 0 "[ . 1 . 2]" 1
475 1 52 ILE H 1 52 ILE MD 2.000 . 5.500 3.983 3.900 4.025 . 0 0 "[ . 1 . 2]" 1
476 1 51 ASP H 1 52 ILE H 2.000 . 3.000 2.595 2.558 2.643 . 0 0 "[ . 1 . 2]" 1
477 1 51 ASP HA 1 52 ILE H 2.000 . 4.500 3.584 3.579 3.589 . 0 0 "[ . 1 . 2]" 1
478 1 51 ASP HB3 1 52 ILE H 2.000 . 5.000 3.532 3.480 3.596 . 0 0 "[ . 1 . 2]" 1
479 1 51 ASP HB2 1 52 ILE H 2.000 . 3.200 2.514 2.436 2.565 . 0 0 "[ . 1 . 2]" 1
480 1 52 ILE H 1 53 PRO HG3 2.000 . 5.000 4.705 4.661 4.734 . 0 0 "[ . 1 . 2]" 1
481 1 52 ILE H 1 53 PRO HG2 2.000 . 5.000 4.499 4.451 4.565 . 0 0 "[ . 1 . 2]" 1
482 1 52 ILE H 1 53 PRO HD3 2.000 . 3.000 2.801 2.741 2.846 . 0 0 "[ . 1 . 2]" 1
483 1 52 ILE H 1 53 PRO HD2 2.000 . 2.700 2.231 2.179 2.300 . 0 0 "[ . 1 . 2]" 1
484 1 50 ARG H 1 52 ILE H 2.000 . 4.500 4.104 4.080 4.156 . 0 0 "[ . 1 . 2]" 1
485 1 50 ARG HA 1 52 ILE H 2.000 . 5.000 5.109 5.093 5.127 0.127 6 0 "[ . 1 . 2]" 1
486 1 48 THR HA 1 52 ILE H 2.000 . 3.200 2.359 2.304 2.457 . 0 0 "[ . 1 . 2]" 1
487 1 48 THR HB 1 52 ILE H 2.000 . 4.000 3.984 3.941 4.023 0.023 18 0 "[ . 1 . 2]" 1
488 1 52 ILE H 1 75 TYR HE2 2.000 . 6.000 5.271 5.176 5.378 . 0 0 "[ . 1 . 2]" 1
489 1 54 GLY H 1 54 GLY HA3 2.000 . 2.700 2.367 2.365 2.369 . 0 0 "[ . 1 . 2]" 1
490 1 53 PRO HA 1 54 GLY H 2.000 . 4.000 3.584 3.578 3.589 . 0 0 "[ . 1 . 2]" 1
491 1 53 PRO HB3 1 54 GLY H 2.000 . 4.500 3.935 3.929 3.948 . 0 0 "[ . 1 . 2]" 1
492 1 53 PRO HB2 1 54 GLY H 2.000 . 2.700 2.871 2.859 2.884 0.184 1 0 "[ . 1 . 2]" 1
493 1 53 PRO HG3 1 54 GLY H 2.000 . 5.000 3.766 3.751 3.781 . 0 0 "[ . 1 . 2]" 1
494 1 53 PRO HG2 1 54 GLY H 2.000 . 3.200 2.300 2.282 2.321 . 0 0 "[ . 1 . 2]" 1
495 1 53 PRO HD3 1 54 GLY H 2.000 . 4.500 3.817 3.794 3.843 . 0 0 "[ . 1 . 2]" 1
496 1 53 PRO HD2 1 54 GLY H 2.000 . 3.200 2.523 2.491 2.563 . 0 0 "[ . 1 . 2]" 1
497 1 52 ILE H 1 54 GLY H 2.000 . 5.000 4.341 4.273 4.423 . 0 0 "[ . 1 . 2]" 1
498 1 52 ILE HA 1 54 GLY H 2.000 . 5.000 4.910 4.886 4.930 . 0 0 "[ . 1 . 2]" 1
499 1 51 ASP HA 1 54 GLY H 2.000 . 3.500 3.609 3.578 3.640 0.140 9 0 "[ . 1 . 2]" 1
500 1 50 ARG HA 1 54 GLY H 2.000 . 5.000 4.036 3.929 4.132 . 0 0 "[ . 1 . 2]" 1
501 1 55 PHE H 1 55 PHE HB3 2.000 . 2.700 2.188 2.165 2.207 . 0 0 "[ . 1 . 2]" 1
502 1 55 PHE H 1 55 PHE HB2 2.000 . 3.500 3.095 3.080 3.116 . 0 0 "[ . 1 . 2]" 1
503 1 55 PHE H 1 55 PHE HD1 2.000 . 5.000 4.780 4.764 4.819 . 0 0 "[ . 1 . 2]" 1
504 1 55 PHE H 1 55 PHE HD2 2.000 . 5.000 4.381 4.343 4.414 . 0 0 "[ . 1 . 2]" 1
505 1 54 GLY H 1 55 PHE H 2.000 . 2.700 2.728 2.715 2.749 0.049 20 0 "[ . 1 . 2]" 1
506 1 54 GLY HA3 1 55 PHE H 2.000 . 3.000 3.035 3.025 3.043 0.043 3 0 "[ . 1 . 2]" 1
507 1 54 GLY HA2 1 55 PHE H 2.000 . 3.500 3.488 3.483 3.495 . 0 0 "[ . 1 . 2]" 1
508 1 52 ILE HA 1 55 PHE H 2.000 . 3.500 3.757 3.740 3.773 0.273 1 0 "[ . 1 . 2]" 1
509 1 51 ASP HA 1 55 PHE H 2.000 . 4.500 4.010 3.920 4.105 . 0 0 "[ . 1 . 2]" 1
510 1 56 CYS H 1 56 CYS HB2 2.000 . 2.700 2.343 2.306 2.362 . 0 0 "[ . 1 . 2]" 1
511 1 55 PHE H 1 56 CYS H 2.000 . 2.700 2.629 2.608 2.661 . 0 0 "[ . 1 . 2]" 1
512 1 55 PHE HA 1 56 CYS H 2.000 . 4.000 3.612 3.607 3.619 . 0 0 "[ . 1 . 2]" 1
513 1 55 PHE HB3 1 56 CYS H 2.000 . 2.700 2.670 2.636 2.708 0.008 8 0 "[ . 1 . 2]" 1
514 1 55 PHE HB2 1 56 CYS H 2.000 . 4.000 3.983 3.955 4.003 0.003 8 0 "[ . 1 . 2]" 1
515 1 55 PHE HE2 1 56 CYS H 2.000 . 5.000 5.077 5.036 5.128 0.128 19 0 "[ . 1 . 2]" 1
516 1 53 PRO HA 1 56 CYS H 2.000 . 3.500 2.991 2.965 3.016 . 0 0 "[ . 1 . 2]" 1
517 1 53 PRO HB3 1 56 CYS H 2.000 . 5.000 5.226 5.202 5.250 0.250 11 0 "[ . 1 . 2]" 1
518 1 52 ILE HA 1 56 CYS H 2.000 . 4.500 4.508 4.447 4.544 0.044 15 0 "[ . 1 . 2]" 1
519 1 52 ILE MG 1 56 CYS H 2.000 . 6.500 4.179 4.090 4.227 . 0 0 "[ . 1 . 2]" 1
520 1 56 CYS H 1 58 PHE H 2.000 . 5.000 4.216 4.142 4.295 . 0 0 "[ . 1 . 2]" 1
521 1 26 VAL MG2 1 56 CYS H 2.000 . 6.000 4.944 4.914 4.966 . 0 0 "[ . 1 . 2]" 1
522 1 57 THR H 1 57 THR HB 2.000 . 2.700 2.622 2.542 2.667 . 0 0 "[ . 1 . 2]" 1
523 1 57 THR H 1 57 THR MG 2.000 . 5.500 3.768 3.759 3.775 . 0 0 "[ . 1 . 2]" 1
524 1 56 CYS H 1 57 THR H 2.000 . 2.700 2.814 2.795 2.831 0.131 2 0 "[ . 1 . 2]" 1
525 1 56 CYS HA 1 57 THR H 2.000 . 4.000 3.541 3.534 3.553 . 0 0 "[ . 1 . 2]" 1
526 1 56 CYS HB3 1 57 THR H 2.000 . 3.500 3.515 3.414 3.549 0.049 18 0 "[ . 1 . 2]" 1
527 1 56 CYS HB2 1 57 THR H 2.000 . 2.700 2.765 2.745 2.785 0.085 4 0 "[ . 1 . 2]" 1
528 1 53 PRO HA 1 57 THR H 2.000 . 5.000 3.983 3.881 4.033 . 0 0 "[ . 1 . 2]" 1
529 1 54 GLY HA2 1 57 THR H 2.000 . 3.500 3.654 3.625 3.667 0.167 16 0 "[ . 1 . 2]" 1
530 1 58 PHE H 1 58 PHE HB3 2.000 . 3.500 2.849 2.722 2.901 . 0 0 "[ . 1 . 2]" 1
531 1 58 PHE H 1 58 PHE HB2 2.000 . 2.700 2.295 2.242 2.364 . 0 0 "[ . 1 . 2]" 1
532 1 58 PHE H 1 58 PHE HD2 2.000 . 4.500 4.425 4.310 4.542 0.042 8 0 "[ . 1 . 2]" 1
533 1 58 PHE H 1 58 PHE HD1 2.000 . 5.000 4.894 4.817 4.971 . 0 0 "[ . 1 . 2]" 1
534 1 57 THR H 1 58 PHE H 2.000 . 2.700 2.627 2.569 2.694 . 0 0 "[ . 1 . 2]" 1
535 1 57 THR HA 1 58 PHE H 2.000 . 4.000 3.521 3.511 3.549 . 0 0 "[ . 1 . 2]" 1
536 1 57 THR HB 1 58 PHE H 2.000 . 2.700 2.728 2.616 2.762 0.062 11 0 "[ . 1 . 2]" 1
537 1 57 THR MG 1 58 PHE H 2.000 . 4.500 3.715 3.637 3.774 . 0 0 "[ . 1 . 2]" 1
538 1 55 PHE HA 1 58 PHE H 2.000 . 3.500 3.316 3.192 3.488 . 0 0 "[ . 1 . 2]" 1
539 1 54 GLY HA2 1 58 PHE H 2.000 . 4.500 4.453 4.263 4.541 0.041 19 0 "[ . 1 . 2]" 1
540 1 59 MET H 1 59 MET HB3 2.000 . 4.000 3.534 3.507 3.642 . 0 0 "[ . 1 . 2]" 1
541 1 59 MET H 1 59 MET HB2 2.000 . 2.700 2.242 2.181 2.535 . 0 0 "[ . 1 . 2]" 1
542 1 58 PHE H 1 59 MET H 2.000 . 2.700 2.644 2.540 2.724 0.024 19 0 "[ . 1 . 2]" 1
543 1 58 PHE HA 1 59 MET H 2.000 . 4.000 3.548 3.498 3.577 . 0 0 "[ . 1 . 2]" 1
544 1 58 PHE HB3 1 59 MET H 2.000 . 3.200 2.859 2.616 3.123 . 0 0 "[ . 1 . 2]" 1
545 1 58 PHE HB2 1 59 MET H 2.000 . 4.000 3.786 3.608 3.932 . 0 0 "[ . 1 . 2]" 1
546 1 58 PHE HD1 1 59 MET H 2.000 . 5.000 4.109 3.820 4.386 . 0 0 "[ . 1 . 2]" 1
547 1 55 PHE HA 1 59 MET H 2.000 . 4.500 4.530 4.491 4.572 0.072 7 0 "[ . 1 . 2]" 1
548 1 56 CYS HA 1 59 MET H 2.000 . 3.500 3.386 3.292 3.449 . 0 0 "[ . 1 . 2]" 1
549 1 57 THR H 1 59 MET H 2.000 . 4.500 4.212 4.072 4.363 . 0 0 "[ . 1 . 2]" 1
550 1 59 MET H 1 61 HIS HD2 2.000 . 5.000 4.927 4.625 5.022 0.022 20 0 "[ . 1 . 2]" 1
551 1 60 GLU H 1 60 GLU HA 2.000 . 2.700 2.367 2.347 2.372 . 0 0 "[ . 1 . 2]" 1
552 1 59 MET H 1 60 GLU H 2.000 . 2.700 2.620 2.531 2.716 0.016 7 0 "[ . 1 . 2]" 1
553 1 59 MET HB3 1 60 GLU H 2.000 . 5.000 4.121 4.062 4.336 . 0 0 "[ . 1 . 2]" 1
554 1 59 MET HB2 1 60 GLU H 2.000 . 4.500 3.780 3.584 3.927 . 0 0 "[ . 1 . 2]" 1
555 1 56 CYS HA 1 60 GLU H 2.000 . 5.000 5.049 5.006 5.137 0.137 12 0 "[ . 1 . 2]" 1
556 1 58 PHE H 1 60 GLU H 2.000 . 5.000 4.099 3.995 4.231 . 0 0 "[ . 1 . 2]" 1
557 1 58 PHE HD1 1 60 GLU H 2.000 . 5.000 4.954 4.636 5.030 0.030 12 0 "[ . 1 . 2]" 1
558 1 61 HIS H 1 61 HIS HB3 2.000 . 3.500 3.653 3.643 3.659 0.159 1 0 "[ . 1 . 2]" 1
559 1 61 HIS H 1 61 HIS HB2 2.000 . 2.700 2.554 2.515 2.589 . 0 0 "[ . 1 . 2]" 1
560 1 61 HIS H 1 61 HIS HE1 2.000 . 4.500 4.582 4.539 4.643 0.143 20 0 "[ . 1 . 2]" 1
561 1 61 HIS H 1 61 HIS HD2 2.000 . 4.500 4.444 4.289 4.518 0.018 12 0 "[ . 1 . 2]" 1
562 1 60 GLU H 1 61 HIS H 2.000 . 2.700 2.434 2.330 2.564 . 0 0 "[ . 1 . 2]" 1
563 1 60 GLU HA 1 61 HIS H 2.000 . 3.200 3.016 2.959 3.056 . 0 0 "[ . 1 . 2]" 1
564 1 60 GLU QB 1 61 HIS H 2.000 . 6.500 3.783 3.696 4.030 . 0 0 "[ . 1 . 2]" 1
565 1 56 CYS HA 1 61 HIS H 2.000 . 4.000 4.017 3.956 4.053 0.053 7 0 "[ . 1 . 2]" 1
566 1 56 CYS HB3 1 61 HIS H 2.000 . 5.000 4.111 4.024 4.247 . 0 0 "[ . 1 . 2]" 1
567 1 57 THR HA 1 61 HIS H 2.000 . 5.000 3.397 3.327 3.452 . 0 0 "[ . 1 . 2]" 1
568 1 57 THR MG 1 61 HIS H 2.000 . 6.000 4.876 4.831 4.932 . 0 0 "[ . 1 . 2]" 1
569 1 59 MET H 1 61 HIS H 2.000 . 4.500 3.547 3.452 3.694 . 0 0 "[ . 1 . 2]" 1
570 1 59 MET HA 1 61 HIS H 2.000 . 5.000 4.783 4.679 4.899 . 0 0 "[ . 1 . 2]" 1
571 1 59 MET HB3 1 61 HIS H 2.000 . 5.000 4.191 3.899 4.535 . 0 0 "[ . 1 . 2]" 1
572 1 59 MET QG 1 61 HIS H 2.000 . 6.500 5.374 4.828 5.513 . 0 0 "[ . 1 . 2]" 1
573 1 62 GLU H 1 62 GLU HB2 2.000 . 2.700 2.429 2.394 2.474 . 0 0 "[ . 1 . 2]" 1
574 1 61 HIS H 1 62 GLU H 2.000 . 4.500 4.555 4.547 4.560 0.060 17 0 "[ . 1 . 2]" 1
575 1 61 HIS HA 1 62 GLU H 2.000 . 2.700 2.585 2.555 2.614 . 0 0 "[ . 1 . 2]" 1
576 1 61 HIS HB3 1 62 GLU H 2.000 . 3.000 2.407 2.354 2.439 . 0 0 "[ . 1 . 2]" 1
577 1 61 HIS HB2 1 62 GLU H 2.000 . 3.500 3.346 3.315 3.370 . 0 0 "[ . 1 . 2]" 1
578 1 62 GLU H 1 77 ILE MG 2.000 . 6.000 2.581 2.476 2.669 . 0 0 "[ . 1 . 2]" 1
579 1 62 GLU H 1 78 ARG H 2.000 . 3.500 3.673 3.628 3.731 0.231 16 0 "[ . 1 . 2]" 1
580 1 62 GLU H 1 79 LYS HA 2.000 . 5.000 3.607 3.478 3.702 . 0 0 "[ . 1 . 2]" 1
581 1 62 GLU H 1 79 LYS QB 2.000 . 6.000 5.391 5.320 5.419 . 0 0 "[ . 1 . 2]" 1
582 1 63 LEU H 1 63 LEU HB3 2.000 . 2.700 2.234 2.215 2.269 . 0 0 "[ . 1 . 2]" 1
583 1 63 LEU H 1 63 LEU HB2 2.000 . 3.500 3.115 3.067 3.156 . 0 0 "[ . 1 . 2]" 1
584 1 63 LEU H 1 63 LEU HG 2.000 . 4.500 4.054 3.993 4.151 . 0 0 "[ . 1 . 2]" 1
585 1 63 LEU H 1 63 LEU MD2 2.000 . 5.500 4.073 4.013 4.103 . 0 0 "[ . 1 . 2]" 1
586 1 62 GLU H 1 63 LEU H 2.000 . 4.500 4.447 4.418 4.470 . 0 0 "[ . 1 . 2]" 1
587 1 62 GLU HA 1 63 LEU H 2.000 . 2.700 2.188 2.159 2.217 . 0 0 "[ . 1 . 2]" 1
588 1 62 GLU HB3 1 63 LEU H 2.000 . 4.000 3.027 2.936 3.111 . 0 0 "[ . 1 . 2]" 1
589 1 62 GLU HB2 1 63 LEU H 2.000 . 4.000 4.178 4.133 4.222 0.222 1 0 "[ . 1 . 2]" 1
590 1 64 VAL H 1 64 VAL HB 2.000 . 2.700 2.294 2.279 2.312 . 0 0 "[ . 1 . 2]" 1
591 1 64 VAL H 1 64 VAL MG1 2.000 . 4.500 3.657 3.652 3.663 . 0 0 "[ . 1 . 2]" 1
592 1 64 VAL H 1 64 VAL MG2 2.000 . 4.500 2.375 2.337 2.414 . 0 0 "[ . 1 . 2]" 1
593 1 63 LEU HA 1 64 VAL H 2.000 . 2.700 2.283 2.272 2.291 . 0 0 "[ . 1 . 2]" 1
594 1 63 LEU HG 1 64 VAL H 2.000 . 4.500 3.794 3.596 3.873 . 0 0 "[ . 1 . 2]" 1
595 1 63 LEU MD1 1 64 VAL H 2.000 . 4.500 3.295 3.196 3.526 . 0 0 "[ . 1 . 2]" 1
596 1 64 VAL H 1 77 ILE HA 2.000 . 3.000 1.856 1.822 1.890 . 0 0 "[ . 1 . 2]" 1
597 1 64 VAL H 1 78 ARG H 2.000 . 4.200 2.618 2.572 2.726 . 0 0 "[ . 1 . 2]" 1
598 1 64 VAL H 1 76 LEU MD2 2.000 . 4.200 3.714 3.692 3.727 . 0 0 "[ . 1 . 2]" 1
599 1 65 ALA H 1 65 ALA MB 2.000 . 4.500 2.627 2.613 2.648 . 0 0 "[ . 1 . 2]" 1
600 1 64 VAL H 1 65 ALA H 2.000 . 2.700 2.797 2.785 2.819 0.119 18 0 "[ . 1 . 2]" 1
601 1 64 VAL HA 1 65 ALA H 2.000 . 4.000 3.640 3.634 3.646 . 0 0 "[ . 1 . 2]" 1
602 1 64 VAL HB 1 65 ALA H 2.000 . 3.000 2.609 2.561 2.643 . 0 0 "[ . 1 . 2]" 1
603 1 5 PHE QD 1 65 ALA H 2.000 . 7.000 4.157 4.048 4.277 . 0 0 "[ . 1 . 2]" 1
604 1 5 PHE QE 1 65 ALA H 2.000 . 7.000 2.374 2.310 2.447 . 0 0 "[ . 1 . 2]" 1
605 1 65 ALA H 1 76 LEU H 2.000 . 3.000 2.409 2.318 2.499 . 0 0 "[ . 1 . 2]" 1
606 1 65 ALA H 1 76 LEU HB3 2.000 . 3.000 1.785 1.778 1.802 0.022 14 0 "[ . 1 . 2]" 1
607 1 65 ALA H 1 76 LEU HB2 2.000 . 3.000 3.327 3.289 3.355 0.355 20 0 "[ . 1 . 2]" 1
608 1 65 ALA H 1 76 LEU MD2 2.000 . 4.500 3.273 3.205 3.367 . 0 0 "[ . 1 . 2]" 1
609 1 65 ALA H 1 77 ILE HA 2.000 . 4.500 4.211 4.185 4.237 . 0 0 "[ . 1 . 2]" 1
610 1 65 ALA H 1 75 TYR HA 2.000 . 5.000 4.307 4.245 4.383 . 0 0 "[ . 1 . 2]" 1
611 1 66 LYS H 1 66 LYS HB2 2.000 . 2.700 2.802 2.790 2.818 0.118 15 0 "[ . 1 . 2]" 1
612 1 66 LYS H 1 66 LYS HG2 2.000 . 5.000 3.592 3.582 3.598 . 0 0 "[ . 1 . 2]" 1
613 1 66 LYS H 1 66 LYS HG3 2.000 . 3.200 2.462 2.434 2.479 . 0 0 "[ . 1 . 2]" 1
614 1 65 ALA H 1 66 LYS H 2.000 . 5.000 4.295 4.280 4.307 . 0 0 "[ . 1 . 2]" 1
615 1 65 ALA HA 1 66 LYS H 2.000 . 2.700 2.277 2.257 2.290 . 0 0 "[ . 1 . 2]" 1
616 1 5 PHE QE 1 66 LYS H 2.000 . 7.000 4.377 4.355 4.433 . 0 0 "[ . 1 . 2]" 1
617 1 5 PHE HZ 1 66 LYS H 2.000 . 4.500 4.653 4.634 4.698 0.198 13 0 "[ . 1 . 2]" 1
618 1 67 GLU H 1 67 GLU HB3 2.000 . 3.500 3.644 3.602 3.651 0.151 19 0 "[ . 1 . 2]" 1
619 1 67 GLU H 1 67 GLU HB2 2.000 . 2.700 2.575 2.501 2.605 . 0 0 "[ . 1 . 2]" 1
620 1 67 GLU H 1 67 GLU QG 2.000 . 5.000 3.603 3.534 4.031 . 0 0 "[ . 1 . 2]" 1
621 1 66 LYS HA 1 67 GLU H 2.000 . 2.700 2.308 2.246 2.333 . 0 0 "[ . 1 . 2]" 1
622 1 66 LYS HB3 1 67 GLU H 2.000 . 2.700 2.659 2.624 2.715 0.015 13 0 "[ . 1 . 2]" 1
623 1 66 LYS HG2 1 67 GLU H 2.000 . 4.500 4.820 4.798 4.854 0.354 13 0 "[ . 1 . 2]" 1
624 1 66 LYS HG3 1 67 GLU H 2.000 . 4.500 4.558 4.549 4.565 0.065 15 0 "[ . 1 . 2]" 1
625 1 67 GLU H 1 73 TYR HA 2.000 . 5.000 4.959 4.925 4.993 . 0 0 "[ . 1 . 2]" 1
626 1 67 GLU H 1 75 TYR HA 2.000 . 3.500 3.265 3.194 3.303 . 0 0 "[ . 1 . 2]" 1
627 1 67 GLU H 1 75 TYR HD1 2.000 . 4.000 2.161 2.096 2.228 . 0 0 "[ . 1 . 2]" 1
628 1 67 GLU H 1 74 ARG H 2.000 . 2.700 2.985 2.941 3.007 0.307 16 0 "[ . 1 . 2]" 1
629 1 5 PHE QE 1 67 GLU H 2.000 . 7.000 4.469 4.374 4.577 . 0 0 "[ . 1 . 2]" 1
630 1 5 PHE HZ 1 67 GLU H 2.000 . 3.500 3.805 3.741 3.829 0.329 5 0 "[ . 1 . 2]" 1
631 1 67 GLU H 1 68 THR H 2.000 . 4.500 4.036 4.019 4.088 . 0 0 "[ . 1 . 2]" 1
632 1 67 GLU HA 1 68 THR H 2.000 . 2.700 2.191 2.172 2.207 . 0 0 "[ . 1 . 2]" 1
633 1 67 GLU HB3 1 68 THR H 2.000 . 4.500 3.741 3.731 3.753 . 0 0 "[ . 1 . 2]" 1
634 1 67 GLU HB2 1 68 THR H 2.000 . 5.000 4.515 4.508 4.528 . 0 0 "[ . 1 . 2]" 1
635 1 67 GLU QG 1 68 THR H 2.000 . 6.500 4.162 3.757 4.522 . 0 0 "[ . 1 . 2]" 1
636 1 69 ASP H 1 69 ASP HB2 2.000 . 2.700 2.520 2.482 2.567 . 0 0 "[ . 1 . 2]" 1
637 1 68 THR H 1 69 ASP H 2.000 . 2.700 2.318 2.245 2.383 . 0 0 "[ . 1 . 2]" 1
638 1 68 THR HB 1 69 ASP H 2.000 . 5.000 4.531 4.482 4.575 . 0 0 "[ . 1 . 2]" 1
639 1 68 THR MG 1 69 ASP H 2.000 . 6.000 4.199 4.096 4.265 . 0 0 "[ . 1 . 2]" 1
640 1 67 GLU HA 1 69 ASP H 2.000 . 5.000 3.585 3.548 3.609 . 0 0 "[ . 1 . 2]" 1
641 1 67 GLU HB3 1 69 ASP H 2.000 . 5.000 3.660 3.629 3.697 . 0 0 "[ . 1 . 2]" 1
642 1 67 GLU HB2 1 69 ASP H 2.000 . 5.000 5.128 5.114 5.146 0.146 15 0 "[ . 1 . 2]" 1
643 1 69 ASP H 1 73 TYR HD1 2.000 . 5.000 4.900 4.842 4.948 . 0 0 "[ . 1 . 2]" 1
644 1 70 GLY H 1 70 GLY HA2 2.000 . 2.700 2.548 2.536 2.569 . 0 0 "[ . 1 . 2]" 1
645 1 69 ASP H 1 70 GLY H 2.000 . 2.700 2.627 2.616 2.638 . 0 0 "[ . 1 . 2]" 1
646 1 69 ASP HA 1 70 GLY H 2.000 . 3.000 3.197 3.190 3.203 0.203 20 0 "[ . 1 . 2]" 1
647 1 69 ASP HB3 1 70 GLY H 2.000 . 4.500 4.325 4.300 4.350 . 0 0 "[ . 1 . 2]" 1
648 1 69 ASP HB2 1 70 GLY H 2.000 . 3.500 3.587 3.577 3.597 0.097 14 0 "[ . 1 . 2]" 1
649 1 68 THR H 1 70 GLY H 2.000 . 5.000 4.457 4.412 4.502 . 0 0 "[ . 1 . 2]" 1
650 1 68 THR HA 1 70 GLY H 2.000 . 4.500 2.976 2.960 2.992 . 0 0 "[ . 1 . 2]" 1
651 1 68 THR HB 1 70 GLY H 2.000 . 5.000 4.372 4.317 4.465 . 0 0 "[ . 1 . 2]" 1
652 1 68 THR MG 1 70 GLY H 2.000 . 6.500 4.900 4.822 4.971 . 0 0 "[ . 1 . 2]" 1
653 1 70 GLY H 1 73 TYR HD1 2.000 . 4.500 3.970 3.900 4.019 . 0 0 "[ . 1 . 2]" 1
654 1 70 GLY H 1 73 TYR HE1 2.000 . 5.000 4.809 4.729 4.869 . 0 0 "[ . 1 . 2]" 1
655 1 71 LEU H 1 71 LEU HB3 2.000 . 4.500 3.650 3.642 3.658 . 0 0 "[ . 1 . 2]" 1
656 1 71 LEU H 1 71 LEU HB2 2.000 . 2.700 2.678 2.551 2.725 0.025 18 0 "[ . 1 . 2]" 1
657 1 71 LEU H 1 71 LEU HG 2.000 . 3.500 2.030 1.915 2.301 . 0 0 "[ . 1 . 2]" 1
658 1 70 GLY H 1 71 LEU H 2.000 . 3.500 3.662 3.642 3.680 0.180 6 0 "[ . 1 . 2]" 1
659 1 70 GLY HA2 1 71 LEU H 2.000 . 2.700 2.061 2.057 2.066 . 0 0 "[ . 1 . 2]" 1
660 1 70 GLY HA3 1 71 LEU H 2.000 . 4.000 3.095 3.082 3.110 . 0 0 "[ . 1 . 2]" 1
661 1 71 LEU H 1 73 TYR HD1 2.000 . 5.000 4.616 4.592 4.648 . 0 0 "[ . 1 . 2]" 1
662 1 71 LEU H 1 73 TYR HE1 2.000 . 4.000 4.017 3.957 4.039 0.039 17 0 "[ . 1 . 2]" 1
663 1 73 TYR H 1 73 TYR HB2 2.000 . 2.700 2.783 2.775 2.790 0.090 13 0 "[ . 1 . 2]" 1
664 1 72 PRO HA 1 73 TYR H 2.000 . 2.700 2.267 2.257 2.275 . 0 0 "[ . 1 . 2]" 1
665 1 72 PRO HB3 1 73 TYR H 2.000 . 4.000 3.780 3.763 3.789 . 0 0 "[ . 1 . 2]" 1
666 1 72 PRO HB2 1 73 TYR H 2.000 . 3.000 3.088 3.072 3.102 0.102 13 0 "[ . 1 . 2]" 1
667 1 72 PRO HG2 1 73 TYR H 2.000 . 4.500 4.770 4.763 4.775 0.275 13 0 "[ . 1 . 2]" 1
668 1 71 LEU H 1 73 TYR H 2.000 . 5.000 5.150 5.124 5.171 0.171 7 0 "[ . 1 . 2]" 1
669 1 71 LEU QB 1 73 TYR H 2.000 . 6.500 3.936 3.896 3.990 . 0 0 "[ . 1 . 2]" 1
670 1 71 LEU HG 1 73 TYR H 2.000 . 5.000 4.310 3.990 4.459 . 0 0 "[ . 1 . 2]" 1
671 1 15 LEU MD2 1 73 TYR H 2.000 . 6.500 3.903 3.846 3.998 . 0 0 "[ . 1 . 2]" 1
672 1 42 ILE MG 1 73 TYR H 2.000 . 6.000 3.893 3.744 4.119 . 0 0 "[ . 1 . 2]" 1
673 1 44 ASP HA 1 73 TYR H 2.000 . 3.500 3.068 2.994 3.135 . 0 0 "[ . 1 . 2]" 1
674 1 74 ARG H 1 74 ARG HB2 2.000 . 2.700 2.784 2.773 2.799 0.099 10 0 "[ . 1 . 2]" 1
675 1 74 ARG H 1 74 ARG HG3 2.000 . 4.000 3.681 3.584 3.749 . 0 0 "[ . 1 . 2]" 1
676 1 74 ARG H 1 74 ARG HG2 2.000 . 4.500 4.731 4.695 4.763 0.263 2 0 "[ . 1 . 2]" 1
677 1 73 TYR H 1 74 ARG H 2.000 . 5.000 4.661 4.650 4.677 . 0 0 "[ . 1 . 2]" 1
678 1 73 TYR HA 1 74 ARG H 2.000 . 2.700 2.442 2.428 2.458 . 0 0 "[ . 1 . 2]" 1
679 1 73 TYR HB3 1 74 ARG H 2.000 . 3.000 2.558 2.493 2.644 . 0 0 "[ . 1 . 2]" 1
680 1 73 TYR HB2 1 74 ARG H 2.000 . 4.000 3.275 3.220 3.362 . 0 0 "[ . 1 . 2]" 1
681 1 73 TYR HD1 1 74 ARG H 2.000 . 4.500 4.431 4.397 4.462 . 0 0 "[ . 1 . 2]" 1
682 1 74 ARG H 1 75 TYR HA 2.000 . 5.000 4.643 4.630 4.656 . 0 0 "[ . 1 . 2]" 1
683 1 74 ARG H 1 75 TYR HD1 2.000 . 5.000 3.703 3.646 3.760 . 0 0 "[ . 1 . 2]" 1
684 1 74 ARG H 1 75 TYR HE1 2.000 . 5.000 3.376 3.323 3.432 . 0 0 "[ . 1 . 2]" 1
685 1 66 LYS HA 1 74 ARG H 2.000 . 5.000 4.895 4.844 4.928 . 0 0 "[ . 1 . 2]" 1
686 1 67 GLU HB3 1 74 ARG H 2.000 . 3.500 2.638 2.530 2.914 . 0 0 "[ . 1 . 2]" 1
687 1 67 GLU HB2 1 74 ARG H 2.000 . 2.700 2.169 2.053 2.553 . 0 0 "[ . 1 . 2]" 1
688 1 67 GLU QG 1 74 ARG H 2.000 . 6.500 4.046 3.904 4.478 . 0 0 "[ . 1 . 2]" 1
689 1 68 THR H 1 74 ARG H 2.000 . 5.000 4.872 4.829 4.960 . 0 0 "[ . 1 . 2]" 1
690 1 68 THR MG 1 74 ARG H 2.000 . 5.000 3.954 3.831 4.035 . 0 0 "[ . 1 . 2]" 1
691 1 75 TYR H 1 75 TYR HB2 2.000 . 3.500 3.187 3.151 3.205 . 0 0 "[ . 1 . 2]" 1
692 1 75 TYR H 1 75 TYR HD1 2.000 . 5.000 4.374 4.327 4.430 . 0 0 "[ . 1 . 2]" 1
693 1 75 TYR H 1 75 TYR HD2 2.000 . 3.500 3.337 3.289 3.391 . 0 0 "[ . 1 . 2]" 1
694 1 75 TYR H 1 75 TYR HE2 2.000 . 5.000 4.935 4.888 4.972 . 0 0 "[ . 1 . 2]" 1
695 1 74 ARG H 1 75 TYR H 2.000 . 5.000 4.287 4.268 4.299 . 0 0 "[ . 1 . 2]" 1
696 1 74 ARG HA 1 75 TYR H 2.000 . 2.700 2.285 2.266 2.299 . 0 0 "[ . 1 . 2]" 1
697 1 74 ARG HB3 1 75 TYR H 2.000 . 2.700 2.746 2.714 2.776 0.076 13 0 "[ . 1 . 2]" 1
698 1 74 ARG HB2 1 75 TYR H 2.000 . 4.500 4.013 3.963 4.044 . 0 0 "[ . 1 . 2]" 1
699 1 74 ARG HG3 1 75 TYR H 2.000 . 4.000 4.231 4.181 4.294 0.294 11 0 "[ . 1 . 2]" 1
700 1 74 ARG HG2 1 75 TYR H 2.000 . 4.500 3.671 3.439 3.771 . 0 0 "[ . 1 . 2]" 1
701 1 40 LEU HA 1 75 TYR H 2.000 . 5.000 4.435 4.327 4.598 . 0 0 "[ . 1 . 2]" 1
702 1 41 ILE HB 1 75 TYR H 2.000 . 4.000 3.025 2.849 3.192 . 0 0 "[ . 1 . 2]" 1
703 1 5 PHE HE1 1 75 TYR H 2.000 . 5.000 5.242 5.225 5.259 0.259 17 0 "[ . 1 . 2]" 1
704 1 5 PHE HZ 1 75 TYR H 2.000 . 5.000 3.283 3.262 3.311 . 0 0 "[ . 1 . 2]" 1
705 1 76 LEU H 1 76 LEU HB3 2.000 . 2.700 2.520 2.511 2.536 . 0 0 "[ . 1 . 2]" 1
706 1 76 LEU H 1 76 LEU HB2 2.000 . 3.500 2.788 2.770 2.801 . 0 0 "[ . 1 . 2]" 1
707 1 76 LEU H 1 76 LEU HG 2.000 . 5.000 4.317 4.312 4.332 . 0 0 "[ . 1 . 2]" 1
708 1 76 LEU H 1 76 LEU MD1 2.000 . 6.500 4.119 4.074 4.183 . 0 0 "[ . 1 . 2]" 1
709 1 76 LEU H 1 76 LEU MD2 2.000 . 5.000 4.228 4.218 4.240 . 0 0 "[ . 1 . 2]" 1
710 1 75 TYR H 1 76 LEU H 2.000 . 4.500 4.096 4.068 4.127 . 0 0 "[ . 1 . 2]" 1
711 1 75 TYR HA 1 76 LEU H 2.000 . 2.700 2.236 2.225 2.257 . 0 0 "[ . 1 . 2]" 1
712 1 75 TYR HB3 1 76 LEU H 2.000 . 3.500 3.527 3.507 3.548 0.048 15 0 "[ . 1 . 2]" 1
713 1 75 TYR HB2 1 76 LEU H 2.000 . 5.000 3.918 3.886 3.940 . 0 0 "[ . 1 . 2]" 1
714 1 75 TYR HD1 1 76 LEU H 2.000 . 5.000 4.967 4.919 5.001 0.001 8 0 "[ . 1 . 2]" 1
715 1 66 LYS HA 1 76 LEU H 2.000 . 5.000 3.394 3.329 3.459 . 0 0 "[ . 1 . 2]" 1
716 1 40 LEU HA 1 76 LEU HA 2.000 . 2.700 2.085 2.020 2.150 . 0 0 "[ . 1 . 2]" 1
717 1 5 PHE HD1 1 76 LEU HA 2.000 . 5.000 4.763 4.724 4.789 . 0 0 "[ . 1 . 2]" 1
718 1 5 PHE HE2 1 76 LEU HA 2.000 . 5.000 5.451 5.405 5.470 0.470 15 0 "[ . 1 . 2]" 1
719 1 5 PHE HE1 1 76 LEU HA 2.000 . 3.500 3.636 3.621 3.669 0.169 13 0 "[ . 1 . 2]" 1
720 1 5 PHE HZ 1 76 LEU HA 2.000 . 4.000 4.167 4.156 4.198 0.198 13 0 "[ . 1 . 2]" 1
721 1 77 ILE H 1 77 ILE HB 2.000 . 2.700 2.852 2.829 2.876 0.176 12 0 "[ . 1 . 2]" 1
722 1 77 ILE H 1 77 ILE HG13 2.000 . 3.200 2.917 2.843 2.989 . 0 0 "[ . 1 . 2]" 1
723 1 77 ILE H 1 77 ILE HG12 2.000 . 3.500 3.569 3.548 3.602 0.102 18 0 "[ . 1 . 2]" 1
724 1 76 LEU HA 1 77 ILE H 2.000 . 2.700 2.438 2.418 2.454 . 0 0 "[ . 1 . 2]" 1
725 1 76 LEU HB3 1 77 ILE H 2.000 . 5.000 3.800 3.760 3.837 . 0 0 "[ . 1 . 2]" 1
726 1 76 LEU HG 1 77 ILE H 2.000 . 4.000 1.901 1.862 1.954 . 0 0 "[ . 1 . 2]" 1
727 1 76 LEU MD1 1 77 ILE H 2.000 . 4.500 2.487 2.370 2.587 . 0 0 "[ . 1 . 2]" 1
728 1 76 LEU MD2 1 77 ILE H 2.000 . 6.500 3.635 3.603 3.675 . 0 0 "[ . 1 . 2]" 1
729 1 38 THR HA 1 77 ILE H 2.000 . 5.000 4.157 4.094 4.306 . 0 0 "[ . 1 . 2]" 1
730 1 39 LEU HB3 1 77 ILE H 2.000 . 4.500 3.389 3.228 3.557 . 0 0 "[ . 1 . 2]" 1
731 1 40 LEU HA 1 77 ILE H 2.000 . 4.000 3.676 3.541 3.772 . 0 0 "[ . 1 . 2]" 1
732 1 77 ILE HA 1 78 ARG H 2.000 . 2.700 2.224 2.201 2.258 . 0 0 "[ . 1 . 2]" 1
733 1 62 GLU HB3 1 78 ARG H 2.000 . 3.500 3.623 3.572 3.737 0.237 18 0 "[ . 1 . 2]" 1
734 1 64 VAL HB 1 78 ARG H 2.000 . 3.200 3.335 3.309 3.359 0.159 12 0 "[ . 1 . 2]" 1
735 1 64 VAL MG1 1 78 ARG H 2.000 . 4.500 4.133 4.120 4.150 . 0 0 "[ . 1 . 2]" 1
736 1 78 ARG H 1 79 LYS H 2.000 . 5.000 4.449 4.400 4.538 . 0 0 "[ . 1 . 2]" 1
737 1 78 ARG HA 1 79 LYS H 2.000 . 2.700 2.204 2.159 2.224 . 0 0 "[ . 1 . 2]" 1
738 1 33 MET ME 1 79 LYS H 2.000 . 6.000 2.149 1.826 2.628 . 0 0 "[ . 1 . 2]" 1
739 1 35 PRO HA 1 79 LYS H 2.000 . 5.000 5.136 5.078 5.223 0.223 14 0 "[ . 1 . 2]" 1
740 1 36 GLY QA 1 79 LYS H 2.000 . 6.500 5.592 5.437 5.729 . 0 0 "[ . 1 . 2]" 1
741 1 39 LEU H 1 79 LYS H 2.000 . 5.000 4.203 4.077 4.363 . 0 0 "[ . 1 . 2]" 1
742 1 38 THR HA 1 79 LYS H 2.000 . 3.500 2.857 2.788 3.025 . 0 0 "[ . 1 . 2]" 1
743 1 38 THR MG 1 79 LYS H 2.000 . 5.000 4.005 3.905 4.115 . 0 0 "[ . 1 . 2]" 1
744 1 80 GLY HA3 1 81 GLY H 2.000 . 2.700 2.601 2.501 2.812 0.112 10 0 "[ . 1 . 2]" 1
745 1 80 GLY HA2 1 81 GLY H 2.000 . 2.700 2.609 2.369 2.704 0.004 6 0 "[ . 1 . 2]" 1
746 1 61 HIS HA 1 81 GLY H 2.000 . 5.000 5.046 5.023 5.095 0.095 14 0 "[ . 1 . 2]" 1
747 1 4 LEU HA 1 4 LEU HB3 2.000 . 2.700 2.499 2.365 2.635 . 0 0 "[ . 1 . 2]" 1
748 1 4 LEU HA 1 4 LEU HG 2.000 . 4.000 2.849 2.574 3.280 . 0 0 "[ . 1 . 2]" 1
749 1 4 LEU HA 1 4 LEU MD1 2.000 . 6.000 3.826 3.684 3.928 . 0 0 "[ . 1 . 2]" 1
750 1 4 LEU HA 1 4 LEU MD2 2.000 . 4.500 2.103 1.867 2.580 . 0 0 "[ . 1 . 2]" 1
751 1 5 PHE HA 1 5 PHE HB3 2.000 . 2.700 2.670 2.662 2.676 . 0 0 "[ . 1 . 2]" 1
752 1 5 PHE HA 1 5 PHE HD2 2.000 . 4.500 4.350 4.313 4.403 . 0 0 "[ . 1 . 2]" 1
753 1 5 PHE HA 1 5 PHE HD1 2.000 . 4.500 1.934 1.847 2.004 . 0 0 "[ . 1 . 2]" 1
754 1 5 PHE HA 1 76 LEU MD1 2.000 . 5.000 3.038 2.845 3.228 . 0 0 "[ . 1 . 2]" 1
755 1 5 PHE HA 1 76 LEU MD2 2.000 . 4.700 3.053 2.940 3.179 . 0 0 "[ . 1 . 2]" 1
756 1 6 SER HA 1 6 SER QB 2.000 . 4.200 2.351 2.279 2.403 . 0 0 "[ . 1 . 2]" 1
757 1 3 ASP QB 1 6 SER HA 2.000 . 5.000 3.759 3.083 4.466 . 0 0 "[ . 1 . 2]" 1
758 1 6 SER HA 1 8 PRO HD3 2.000 . 5.000 4.517 4.478 4.538 . 0 0 "[ . 1 . 2]" 1
759 1 7 SER HA 1 7 SER HB3 2.000 . 2.700 2.527 2.304 2.834 0.134 20 0 "[ . 1 . 2]" 1
760 1 7 SER HA 1 7 SER HB2 2.000 . 2.700 2.600 2.356 2.837 0.137 16 0 "[ . 1 . 2]" 1
761 1 7 SER HA 1 8 PRO HA 2.000 . 6.000 4.518 4.513 4.524 . 0 0 "[ . 1 . 2]" 1
762 1 7 SER HA 1 8 PRO HD3 2.000 . 3.200 2.193 2.183 2.205 . 0 0 "[ . 1 . 2]" 1
763 1 7 SER HA 1 8 PRO HD2 2.000 . 2.700 2.046 2.030 2.060 . 0 0 "[ . 1 . 2]" 1
764 1 8 PRO HA 1 76 LEU MD1 2.000 . 5.500 3.467 3.294 3.547 . 0 0 "[ . 1 . 2]" 1
765 1 9 ASP HA 1 9 ASP HB3 2.000 . 2.700 2.509 2.467 2.554 . 0 0 "[ . 1 . 2]" 1
766 1 10 HIS HA 1 10 HIS HB3 2.000 . 2.700 2.609 2.581 2.617 . 0 0 "[ . 1 . 2]" 1
767 1 11 THR HA 1 11 THR MG 2.000 . 4.500 2.277 2.204 2.340 . 0 0 "[ . 1 . 2]" 1
768 1 11 THR HA 1 39 LEU HA 2.000 . 5.000 3.869 3.787 3.940 . 0 0 "[ . 1 . 2]" 1
769 1 11 THR HA 1 39 LEU MD1 2.000 . 5.500 2.628 2.569 2.727 . 0 0 "[ . 1 . 2]" 1
770 1 11 THR HA 1 40 LEU HB3 2.000 . 3.500 3.026 2.886 3.128 . 0 0 "[ . 1 . 2]" 1
771 1 11 THR HA 1 40 LEU HB2 2.000 . 5.000 4.562 4.409 4.662 . 0 0 "[ . 1 . 2]" 1
772 1 11 THR HA 1 40 LEU MD2 2.000 . 6.500 4.414 4.165 4.575 . 0 0 "[ . 1 . 2]" 1
773 1 11 THR HA 1 41 ILE HA 2.000 . 5.000 4.074 3.998 4.154 . 0 0 "[ . 1 . 2]" 1
774 1 12 LEU HA 1 12 LEU HB2 2.000 . 2.700 2.391 2.382 2.404 . 0 0 "[ . 1 . 2]" 1
775 1 12 LEU HA 1 12 LEU HG 2.000 . 4.500 3.475 3.445 3.497 . 0 0 "[ . 1 . 2]" 1
776 1 12 LEU HA 1 12 LEU MD1 2.000 . 4.200 2.011 1.836 2.068 . 0 0 "[ . 1 . 2]" 1
777 1 11 THR MG 1 12 LEU HA 2.000 . 5.500 3.552 3.462 3.660 . 0 0 "[ . 1 . 2]" 1
778 1 13 ASP HA 1 13 ASP HB2 2.000 . 2.700 2.520 2.417 2.579 . 0 0 "[ . 1 . 2]" 1
779 1 13 ASP HA 1 41 ILE MG 2.000 . 5.500 4.101 3.902 4.284 . 0 0 "[ . 1 . 2]" 1
780 1 13 ASP HA 1 42 ILE HB 2.000 . 5.000 2.856 2.517 3.086 . 0 0 "[ . 1 . 2]" 1
781 1 13 ASP HA 1 42 ILE MD 2.000 . 5.000 4.006 3.708 4.125 . 0 0 "[ . 1 . 2]" 1
782 1 13 ASP HA 1 42 ILE MG 2.000 . 6.000 4.441 4.108 4.642 . 0 0 "[ . 1 . 2]" 1
783 1 14 ALA HA 1 17 LEU HG 2.000 . 4.500 1.811 1.793 1.823 0.007 7 0 "[ . 1 . 2]" 1
784 1 14 ALA HA 1 17 LEU MD1 2.000 . 6.500 2.062 1.871 2.292 . 0 0 "[ . 1 . 2]" 1
785 1 14 ALA HA 1 17 LEU MD2 2.000 . 4.500 3.516 3.508 3.525 . 0 0 "[ . 1 . 2]" 1
786 1 15 LEU HA 1 15 LEU HB3 2.000 . 2.700 2.295 2.266 2.344 . 0 0 "[ . 1 . 2]" 1
787 1 15 LEU HA 1 15 LEU HG 2.000 . 4.500 3.314 2.971 3.551 . 0 0 "[ . 1 . 2]" 1
788 1 15 LEU HA 1 15 LEU MD1 2.000 . 6.500 3.868 3.778 3.924 . 0 0 "[ . 1 . 2]" 1
789 1 15 LEU HA 1 15 LEU MD2 2.000 . 4.200 2.132 1.938 2.403 . 0 0 "[ . 1 . 2]" 1
790 1 14 ALA MB 1 15 LEU HA 2.000 . 6.500 4.221 4.203 4.248 . 0 0 "[ . 1 . 2]" 1
791 1 15 LEU HA 1 43 ALA HA 2.000 . 3.200 3.089 3.026 3.134 . 0 0 "[ . 1 . 2]" 1
792 1 17 LEU HA 1 17 LEU HB3 2.000 . 2.700 2.513 2.502 2.524 . 0 0 "[ . 1 . 2]" 1
793 1 17 LEU HA 1 17 LEU HG 2.000 . 4.500 3.372 3.334 3.398 . 0 0 "[ . 1 . 2]" 1
794 1 17 LEU HA 1 17 LEU MD2 2.000 . 4.200 1.818 1.786 1.842 0.014 4 0 "[ . 1 . 2]" 1
795 1 18 ARG HA 1 18 ARG HB3 2.000 . 2.700 2.303 2.292 2.316 . 0 0 "[ . 1 . 2]" 1
796 1 18 ARG HA 1 18 ARG HB2 2.000 . 2.700 2.578 2.562 2.592 . 0 0 "[ . 1 . 2]" 1
797 1 18 ARG HA 1 45 ASP HB3 2.000 . 5.000 3.142 3.093 3.181 . 0 0 "[ . 1 . 2]" 1
798 1 19 CYS HA 1 19 CYS HB2 2.000 . 2.700 2.369 2.365 2.373 . 0 0 "[ . 1 . 2]" 1
799 1 19 CYS HA 1 20 PRO HA 2.000 . 2.700 1.950 1.936 1.957 . 0 0 "[ . 1 . 2]" 1
800 1 19 CYS HA 1 22 PRO HD3 2.000 . 4.500 3.279 3.259 3.302 . 0 0 "[ . 1 . 2]" 1
801 1 19 CYS HA 1 22 PRO HD2 2.000 . 3.500 1.784 1.777 1.791 0.023 14 0 "[ . 1 . 2]" 1
802 1 19 CYS HB3 1 20 PRO HA 2.000 . 5.000 3.922 3.915 3.927 . 0 0 "[ . 1 . 2]" 1
803 1 19 CYS HB2 1 20 PRO HA 2.000 . 5.000 3.270 3.248 3.288 . 0 0 "[ . 1 . 2]" 1
804 1 20 PRO HA 1 22 PRO HD2 2.000 . 5.000 3.069 3.052 3.099 . 0 0 "[ . 1 . 2]" 1
805 1 21 GLU HA 1 21 GLU HB2 2.000 . 2.700 2.960 2.942 2.970 0.270 15 0 "[ . 1 . 2]" 1
806 1 21 GLU HA 1 24 MET HB3 2.000 . 4.500 3.607 3.500 3.720 . 0 0 "[ . 1 . 2]" 1
807 1 21 GLU HA 1 24 MET HB2 2.000 . 4.000 2.243 2.182 2.311 . 0 0 "[ . 1 . 2]" 1
808 1 21 GLU HA 1 24 MET HG3 2.000 . 5.000 3.102 2.795 3.922 . 0 0 "[ . 1 . 2]" 1
809 1 21 GLU HA 1 24 MET HG2 2.000 . 5.000 4.314 3.874 4.707 . 0 0 "[ . 1 . 2]" 1
810 1 22 PRO HA 1 25 MET QG 2.000 . 6.500 3.478 2.963 4.386 . 0 0 "[ . 1 . 2]" 1
811 1 23 VAL HA 1 23 VAL MG1 2.000 . 4.200 2.322 2.200 2.444 . 0 0 "[ . 1 . 2]" 1
812 1 23 VAL HA 1 23 VAL MG2 2.000 . 4.200 2.350 2.305 2.425 . 0 0 "[ . 1 . 2]" 1
813 1 23 VAL HA 1 26 VAL HB 2.000 . 3.200 3.045 2.957 3.146 . 0 0 "[ . 1 . 2]" 1
814 1 24 MET HA 1 24 MET HB3 2.000 . 2.700 2.642 2.613 2.672 . 0 0 "[ . 1 . 2]" 1
815 1 23 VAL MG1 1 24 MET HA 2.000 . 6.500 3.614 3.352 4.016 . 0 0 "[ . 1 . 2]" 1
816 1 24 MET HA 1 27 ARG QB 2.000 . 5.000 2.413 2.134 2.589 . 0 0 "[ . 1 . 2]" 1
817 1 24 MET HA 1 28 LYS QG 2.000 . 6.000 4.749 4.212 5.299 . 0 0 "[ . 1 . 2]" 1
818 1 25 MET HA 1 25 MET HB3 2.000 . 2.700 2.649 2.586 2.674 . 0 0 "[ . 1 . 2]" 1
819 1 25 MET HA 1 28 LYS QB 2.000 . 5.000 3.244 2.990 4.256 . 0 0 "[ . 1 . 2]" 1
820 1 26 VAL HA 1 26 VAL MG1 2.000 . 4.200 2.438 2.371 2.484 . 0 0 "[ . 1 . 2]" 1
821 1 26 VAL HA 1 26 VAL MG2 2.000 . 4.200 2.198 2.154 2.257 . 0 0 "[ . 1 . 2]" 1
822 1 26 VAL HA 1 29 THR HB 2.000 . 3.200 2.217 2.129 2.312 . 0 0 "[ . 1 . 2]" 1
823 1 26 VAL HA 1 30 VAL MG2 2.000 . 6.500 3.525 3.370 3.629 . 0 0 "[ . 1 . 2]" 1
824 1 12 LEU MD2 1 26 VAL HA 2.000 . 4.200 2.653 2.562 2.809 . 0 0 "[ . 1 . 2]" 1
825 1 27 ARG HA 1 27 ARG QB 2.000 . 3.500 2.499 2.444 2.543 . 0 0 "[ . 1 . 2]" 1
826 1 26 VAL MG1 1 27 ARG HA 2.000 . 6.500 3.601 3.537 3.715 . 0 0 "[ . 1 . 2]" 1
827 1 27 ARG HA 1 30 VAL HB 2.000 . 3.200 2.149 1.999 2.270 . 0 0 "[ . 1 . 2]" 1
828 1 27 ARG HA 1 30 VAL MG1 2.000 . 5.500 3.319 3.228 3.420 . 0 0 "[ . 1 . 2]" 1
829 1 27 ARG HA 1 30 VAL MG2 2.000 . 5.500 2.793 2.519 3.113 . 0 0 "[ . 1 . 2]" 1
830 1 28 LYS HA 1 28 LYS QB 2.000 . 4.200 2.388 2.193 2.508 . 0 0 "[ . 1 . 2]" 1
831 1 28 LYS HA 1 31 ARG HB3 2.000 . 4.000 3.841 3.706 3.965 . 0 0 "[ . 1 . 2]" 1
832 1 28 LYS HA 1 31 ARG HB2 2.000 . 2.700 2.398 2.241 2.491 . 0 0 "[ . 1 . 2]" 1
833 1 28 LYS HA 1 31 ARG QG 2.000 . 6.500 2.563 1.865 3.499 . 0 0 "[ . 1 . 2]" 1
834 1 29 THR HA 1 29 THR MG 2.000 . 4.200 2.750 2.646 2.776 . 0 0 "[ . 1 . 2]" 1
835 1 29 THR HA 1 32 ASN HB3 2.000 . 4.500 3.985 3.692 4.362 . 0 0 "[ . 1 . 2]" 1
836 1 29 THR HA 1 32 ASN HB2 2.000 . 5.000 4.621 4.470 5.093 0.093 19 0 "[ . 1 . 2]" 1
837 1 30 VAL HA 1 30 VAL MG1 2.000 . 4.200 2.574 2.483 2.649 . 0 0 "[ . 1 . 2]" 1
838 1 30 VAL HA 1 30 VAL MG2 2.000 . 4.200 2.286 2.246 2.337 . 0 0 "[ . 1 . 2]" 1
839 1 30 VAL HA 1 33 MET HB3 2.000 . 4.500 3.561 3.401 3.652 . 0 0 "[ . 1 . 2]" 1
840 1 30 VAL HA 1 33 MET HB2 2.000 . 3.500 2.060 1.924 2.136 . 0 0 "[ . 1 . 2]" 1
841 1 30 VAL HA 1 33 MET HG3 2.000 . 4.000 3.234 3.121 3.369 . 0 0 "[ . 1 . 2]" 1
842 1 30 VAL HA 1 33 MET HG2 2.000 . 4.500 4.591 4.544 4.628 0.128 6 0 "[ . 1 . 2]" 1
843 1 31 ARG HA 1 31 ARG HB3 2.000 . 2.700 2.500 2.457 2.538 . 0 0 "[ . 1 . 2]" 1
844 1 31 ARG HA 1 31 ARG HG3 2.000 . 3.200 3.050 2.615 3.262 0.062 7 0 "[ . 1 . 2]" 1
845 1 31 ARG HA 1 31 ARG HG2 2.000 . 2.700 2.511 2.378 2.738 0.038 2 0 "[ . 1 . 2]" 1
846 1 30 VAL MG1 1 31 ARG HA 2.000 . 6.500 3.270 3.155 3.425 . 0 0 "[ . 1 . 2]" 1
847 1 32 ASN HA 1 32 ASN HB3 2.000 . 2.700 2.515 2.405 2.672 . 0 0 "[ . 1 . 2]" 1
848 1 32 ASN HA 1 32 ASN HB2 2.000 . 2.700 2.423 2.307 2.523 . 0 0 "[ . 1 . 2]" 1
849 1 33 MET HA 1 33 MET HB3 2.000 . 2.700 2.681 2.672 2.691 . 0 0 "[ . 1 . 2]" 1
850 1 33 MET HA 1 33 MET HG3 2.000 . 3.500 3.080 3.033 3.101 . 0 0 "[ . 1 . 2]" 1
851 1 33 MET HA 1 33 MET HG2 2.000 . 4.500 2.061 2.047 2.094 . 0 0 "[ . 1 . 2]" 1
852 1 34 GLN HA 1 34 GLN HB3 2.000 . 2.700 2.523 2.419 2.648 . 0 0 "[ . 1 . 2]" 1
853 1 35 PRO HA 1 79 LYS QD 2.000 . 6.500 3.740 1.928 4.730 . 0 0 "[ . 1 . 2]" 1
854 1 35 PRO HA 1 79 LYS QG 2.000 . 6.500 3.525 1.960 5.231 . 0 0 "[ . 1 . 2]" 1
855 1 36 GLY QA 1 78 ARG QG 2.000 . 8.000 3.402 3.001 4.756 . 0 0 "[ . 1 . 2]" 1
856 1 36 GLY QA 1 78 ARG QD 2.000 . 8.000 3.300 2.351 5.291 . 0 0 "[ . 1 . 2]" 1
857 1 37 GLU HA 1 37 GLU HB3 2.000 . 2.700 2.662 2.613 2.672 . 0 0 "[ . 1 . 2]" 1
858 1 37 GLU HA 1 38 THR MG 2.000 . 6.500 3.892 3.764 4.006 . 0 0 "[ . 1 . 2]" 1
859 1 38 THR HA 1 38 THR HB 2.000 . 2.700 2.657 2.635 2.672 . 0 0 "[ . 1 . 2]" 1
860 1 38 THR HA 1 38 THR MG 2.000 . 4.200 2.095 1.964 2.199 . 0 0 "[ . 1 . 2]" 1
861 1 33 MET ME 1 38 THR HA 2.000 . 6.500 3.152 2.914 3.555 . 0 0 "[ . 1 . 2]" 1
862 1 38 THR HA 1 78 ARG HA 2.000 . 2.700 1.834 1.779 1.874 0.021 16 0 "[ . 1 . 2]" 1
863 1 38 THR HA 1 78 ARG QG 2.000 . 6.500 3.772 2.665 4.779 . 0 0 "[ . 1 . 2]" 1
864 1 38 THR HA 1 76 LEU MD1 2.000 . 6.500 3.629 3.468 3.732 . 0 0 "[ . 1 . 2]" 1
865 1 39 LEU HA 1 39 LEU HB2 2.000 . 2.700 2.400 2.389 2.413 . 0 0 "[ . 1 . 2]" 1
866 1 39 LEU HA 1 39 LEU MD1 2.000 . 4.200 2.581 2.562 2.599 . 0 0 "[ . 1 . 2]" 1
867 1 39 LEU HA 1 39 LEU MD2 2.000 . 6.500 3.944 3.935 3.954 . 0 0 "[ . 1 . 2]" 1
868 1 10 HIS HB3 1 39 LEU HA 2.000 . 3.500 3.645 3.624 3.671 0.171 15 0 "[ . 1 . 2]" 1
869 1 10 HIS HB2 1 39 LEU HA 2.000 . 3.500 2.588 2.511 2.633 . 0 0 "[ . 1 . 2]" 1
870 1 40 LEU HA 1 40 LEU HB2 2.000 . 2.700 2.400 2.382 2.433 . 0 0 "[ . 1 . 2]" 1
871 1 40 LEU HA 1 40 LEU HG 2.000 . 4.500 3.116 2.809 3.227 . 0 0 "[ . 1 . 2]" 1
872 1 40 LEU HA 1 40 LEU MD1 2.000 . 4.500 2.092 1.879 2.331 . 0 0 "[ . 1 . 2]" 1
873 1 41 ILE HA 1 41 ILE HG13 2.000 . 4.000 3.485 3.447 3.501 . 0 0 "[ . 1 . 2]" 1
874 1 41 ILE HA 1 41 ILE HG12 2.000 . 3.200 2.572 2.545 2.600 . 0 0 "[ . 1 . 2]" 1
875 1 41 ILE HA 1 41 ILE MG 2.000 . 4.200 2.151 2.091 2.183 . 0 0 "[ . 1 . 2]" 1
876 1 39 LEU MD1 1 41 ILE HA 2.000 . 7.500 4.799 4.711 4.897 . 0 0 "[ . 1 . 2]" 1
877 1 12 LEU HB3 1 41 ILE HA 2.000 . 2.700 2.397 2.277 2.500 . 0 0 "[ . 1 . 2]" 1
878 1 12 LEU HB2 1 41 ILE HA 2.000 . 5.000 4.043 3.928 4.141 . 0 0 "[ . 1 . 2]" 1
879 1 12 LEU MD2 1 41 ILE HA 2.000 . 7.500 4.328 4.241 4.396 . 0 0 "[ . 1 . 2]" 1
880 1 42 ILE HA 1 42 ILE HG13 2.000 . 4.000 3.548 3.462 3.629 . 0 0 "[ . 1 . 2]" 1
881 1 42 ILE HA 1 42 ILE HG12 2.000 . 3.200 2.600 2.444 2.727 . 0 0 "[ . 1 . 2]" 1
882 1 42 ILE HA 1 42 ILE MD 2.000 . 6.500 3.609 3.492 3.732 . 0 0 "[ . 1 . 2]" 1
883 1 42 ILE HA 1 42 ILE MG 2.000 . 4.200 2.210 2.081 2.334 . 0 0 "[ . 1 . 2]" 1
884 1 42 ILE HA 1 74 ARG HA 2.000 . 2.700 2.168 2.046 2.332 . 0 0 "[ . 1 . 2]" 1
885 1 14 ALA MB 1 43 ALA HA 2.000 . 5.000 1.956 1.871 2.061 . 0 0 "[ . 1 . 2]" 1
886 1 15 LEU MD2 1 43 ALA HA 2.000 . 4.200 2.220 1.853 2.734 . 0 0 "[ . 1 . 2]" 1
887 1 44 ASP HA 1 44 ASP HB3 2.000 . 2.700 2.558 2.522 2.680 . 0 0 "[ . 1 . 2]" 1
888 1 44 ASP HA 1 44 ASP HB2 2.000 . 2.700 2.386 2.297 2.418 . 0 0 "[ . 1 . 2]" 1
889 1 44 ASP HA 1 73 TYR HD2 2.000 . 3.500 3.523 3.473 3.546 0.046 17 0 "[ . 1 . 2]" 1
890 1 44 ASP HA 1 73 TYR HE2 2.000 . 4.000 3.604 3.561 3.644 . 0 0 "[ . 1 . 2]" 1
891 1 44 ASP HA 1 71 LEU MD1 2.000 . 6.500 4.243 4.104 4.417 . 0 0 "[ . 1 . 2]" 1
892 1 44 ASP HA 1 71 LEU MD2 2.000 . 4.500 2.004 1.795 2.168 0.005 7 0 "[ . 1 . 2]" 1
893 1 45 ASP HA 1 45 ASP HB3 2.000 . 2.700 2.961 2.953 2.967 0.267 13 0 "[ . 1 . 2]" 1
894 1 45 ASP HA 1 46 PRO HG3 2.000 . 5.000 4.202 4.192 4.213 . 0 0 "[ . 1 . 2]" 1
895 1 45 ASP HA 1 46 PRO HD3 2.000 . 2.700 1.934 1.924 1.946 . 0 0 "[ . 1 . 2]" 1
896 1 45 ASP HA 1 46 PRO HD2 2.000 . 3.200 2.435 2.421 2.454 . 0 0 "[ . 1 . 2]" 1
897 1 46 PRO HA 1 49 THR MG 2.000 . 5.500 2.635 2.497 2.799 . 0 0 "[ . 1 . 2]" 1
898 1 46 PRO HA 1 73 TYR HE2 2.000 . 4.000 2.474 2.425 2.518 . 0 0 "[ . 1 . 2]" 1
899 1 47 ALA HA 1 50 ARG HB2 2.000 . 4.500 3.194 3.123 3.289 . 0 0 "[ . 1 . 2]" 1
900 1 48 THR HA 1 48 THR HB 2.000 . 2.700 2.610 2.579 2.658 . 0 0 "[ . 1 . 2]" 1
901 1 48 THR HA 1 48 THR MG 2.000 . 4.200 2.106 2.048 2.223 . 0 0 "[ . 1 . 2]" 1
902 1 48 THR HA 1 51 ASP HB2 2.000 . 2.700 2.767 2.748 2.789 0.089 6 0 "[ . 1 . 2]" 1
903 1 48 THR HA 1 51 ASP HB3 2.000 . 5.000 4.423 4.370 4.474 . 0 0 "[ . 1 . 2]" 1
904 1 48 THR HA 1 52 ILE QG 2.000 . 6.500 2.686 2.617 2.805 . 0 0 "[ . 1 . 2]" 1
905 1 49 THR HA 1 49 THR HB 2.000 . 2.700 2.313 2.312 2.315 . 0 0 "[ . 1 . 2]" 1
906 1 49 THR HA 1 49 THR MG 2.000 . 4.200 2.644 2.638 2.649 . 0 0 "[ . 1 . 2]" 1
907 1 49 THR HA 1 75 TYR HE1 2.000 . 3.500 3.455 3.407 3.509 0.009 8 0 "[ . 1 . 2]" 1
908 1 49 THR HA 1 75 TYR HE2 2.000 . 3.000 3.009 2.976 3.026 0.026 12 0 "[ . 1 . 2]" 1
909 1 50 ARG HA 1 50 ARG HB3 2.000 . 2.700 2.565 2.554 2.580 . 0 0 "[ . 1 . 2]" 1
910 1 50 ARG HA 1 50 ARG HG3 2.000 . 3.500 3.006 2.146 3.515 0.015 5 0 "[ . 1 . 2]" 1
911 1 50 ARG HA 1 50 ARG HG2 2.000 . 3.500 2.398 2.148 3.257 . 0 0 "[ . 1 . 2]" 1
912 1 50 ARG HA 1 53 PRO HD2 2.000 . 5.000 3.658 3.582 3.718 . 0 0 "[ . 1 . 2]" 1
913 1 51 ASP HA 1 51 ASP HB3 2.000 . 2.700 2.485 2.443 2.520 . 0 0 "[ . 1 . 2]" 1
914 1 52 ILE HA 1 52 ILE QG 2.000 . 4.500 2.098 2.081 2.132 . 0 0 "[ . 1 . 2]" 1
915 1 52 ILE HA 1 52 ILE MG 2.000 . 4.200 2.704 2.662 2.723 . 0 0 "[ . 1 . 2]" 1
916 1 52 ILE HA 1 52 ILE MD 2.000 . 4.200 3.631 3.614 3.664 . 0 0 "[ . 1 . 2]" 1
917 1 52 ILE HA 1 55 PHE HB3 2.000 . 3.500 2.833 2.784 2.893 . 0 0 "[ . 1 . 2]" 1
918 1 52 ILE HA 1 55 PHE HB2 2.000 . 5.000 4.070 4.000 4.187 . 0 0 "[ . 1 . 2]" 1
919 1 23 VAL MG2 1 52 ILE HA 2.000 . 4.500 1.809 1.718 1.973 0.082 18 0 "[ . 1 . 2]" 1
920 1 53 PRO HA 1 56 CYS HB3 2.000 . 5.000 4.297 4.208 4.364 . 0 0 "[ . 1 . 2]" 1
921 1 53 PRO HA 1 56 CYS HB2 2.000 . 3.500 2.587 2.508 2.648 . 0 0 "[ . 1 . 2]" 1
922 1 54 GLY HA2 1 57 THR HB 2.000 . 3.500 3.006 2.892 3.076 . 0 0 "[ . 1 . 2]" 1
923 1 55 PHE HA 1 55 PHE HB2 2.000 . 2.700 2.308 2.296 2.316 . 0 0 "[ . 1 . 2]" 1
924 1 23 VAL MG1 1 55 PHE HA 2.000 . 6.500 3.626 3.590 3.690 . 0 0 "[ . 1 . 2]" 1
925 1 56 CYS HA 1 56 CYS HB3 2.000 . 2.700 2.588 2.569 2.622 . 0 0 "[ . 1 . 2]" 1
926 1 57 THR HA 1 57 THR MG 2.000 . 4.200 2.262 2.151 2.355 . 0 0 "[ . 1 . 2]" 1
927 1 58 PHE HA 1 58 PHE HB2 2.000 . 2.700 2.635 2.571 2.664 . 0 0 "[ . 1 . 2]" 1
928 1 58 PHE HA 1 58 PHE HD2 2.000 . 4.000 3.526 3.345 3.665 . 0 0 "[ . 1 . 2]" 1
929 1 58 PHE HA 1 58 PHE HD1 2.000 . 3.500 3.233 3.084 3.505 0.005 20 0 "[ . 1 . 2]" 1
930 1 59 MET HA 1 59 MET HB2 2.000 . 2.700 2.943 2.934 2.989 0.289 7 0 "[ . 1 . 2]" 1
931 1 60 GLU HA 1 60 GLU QB 2.000 . 4.700 2.401 2.165 2.537 . 0 0 "[ . 1 . 2]" 1
932 1 60 GLU HA 1 60 GLU QG 2.000 . 4.700 2.430 1.911 3.231 . 0 0 "[ . 1 . 2]" 1
933 1 61 HIS HA 1 61 HIS HB3 2.000 . 2.700 2.421 2.403 2.436 . 0 0 "[ . 1 . 2]" 1
934 1 61 HIS HA 1 80 GLY HA3 2.000 . 5.000 3.889 3.156 4.529 . 0 0 "[ . 1 . 2]" 1
935 1 61 HIS HA 1 80 GLY HA2 2.000 . 5.000 4.505 4.158 4.800 . 0 0 "[ . 1 . 2]" 1
936 1 62 GLU HA 1 62 GLU HB3 2.000 . 2.700 2.666 2.575 2.697 . 0 0 "[ . 1 . 2]" 1
937 1 62 GLU HA 1 62 GLU QG 2.000 . 4.700 2.154 2.000 2.763 . 0 0 "[ . 1 . 2]" 1
938 1 63 LEU HA 1 63 LEU HB2 2.000 . 2.700 2.351 2.340 2.370 . 0 0 "[ . 1 . 2]" 1
939 1 63 LEU HA 1 63 LEU MD1 2.000 . 4.200 2.362 2.240 2.614 . 0 0 "[ . 1 . 2]" 1
940 1 63 LEU HA 1 77 ILE HA 2.000 . 2.700 2.254 2.178 2.337 . 0 0 "[ . 1 . 2]" 1
941 1 63 LEU HA 1 77 ILE MG 2.000 . 5.000 2.639 2.421 2.802 . 0 0 "[ . 1 . 2]" 1
942 1 64 VAL HA 1 64 VAL MG1 2.000 . 5.000 2.354 2.340 2.367 . 0 0 "[ . 1 . 2]" 1
943 1 64 VAL HA 1 64 VAL MG2 2.000 . 4.500 2.237 2.222 2.252 . 0 0 "[ . 1 . 2]" 1
944 1 66 LYS HA 1 66 LYS HB3 2.000 . 2.700 2.304 2.298 2.308 . 0 0 "[ . 1 . 2]" 1
945 1 5 PHE HZ 1 66 LYS HA 2.000 . 3.500 2.911 2.832 2.979 . 0 0 "[ . 1 . 2]" 1
946 1 66 LYS HA 1 75 TYR HA 2.000 . 2.700 2.072 2.065 2.090 . 0 0 "[ . 1 . 2]" 1
947 1 66 LYS HA 1 75 TYR HD1 2.000 . 4.000 2.503 2.429 2.588 . 0 0 "[ . 1 . 2]" 1
948 1 67 GLU HA 1 67 GLU HB2 2.000 . 2.700 2.938 2.923 2.944 0.244 10 0 "[ . 1 . 2]" 1
949 1 67 GLU HA 1 67 GLU QG 2.000 . 5.000 2.216 1.983 2.701 . 0 0 "[ . 1 . 2]" 1
950 1 68 THR HA 1 68 THR HB 2.000 . 2.700 2.409 2.352 2.473 . 0 0 "[ . 1 . 2]" 1
951 1 68 THR HA 1 68 THR MG 2.000 . 4.200 2.464 2.322 2.592 . 0 0 "[ . 1 . 2]" 1
952 1 68 THR HA 1 73 TYR HA 2.000 . 4.000 3.215 3.126 3.261 . 0 0 "[ . 1 . 2]" 1
953 1 68 THR HA 1 73 TYR HD1 2.000 . 3.500 2.224 2.164 2.270 . 0 0 "[ . 1 . 2]" 1
954 1 68 THR HA 1 73 TYR HE1 2.000 . 4.000 4.119 4.098 4.137 0.137 8 0 "[ . 1 . 2]" 1
955 1 69 ASP HA 1 69 ASP HB3 2.000 . 2.700 2.453 2.433 2.472 . 0 0 "[ . 1 . 2]" 1
956 1 71 LEU HA 1 71 LEU HB3 2.000 . 2.700 2.492 2.465 2.556 . 0 0 "[ . 1 . 2]" 1
957 1 71 LEU HA 1 71 LEU MD2 2.000 . 4.200 2.375 2.360 2.401 . 0 0 "[ . 1 . 2]" 1
958 1 71 LEU HA 1 72 PRO HA 2.000 . 2.700 1.970 1.951 1.982 . 0 0 "[ . 1 . 2]" 1
959 1 71 LEU HB3 1 72 PRO HA 2.000 . 4.500 2.158 2.133 2.179 . 0 0 "[ . 1 . 2]" 1
960 1 71 LEU HB2 1 72 PRO HA 2.000 . 3.500 3.622 3.605 3.637 0.137 2 0 "[ . 1 . 2]" 1
961 1 71 LEU HG 1 72 PRO HA 2.000 . 5.000 3.835 3.587 3.936 . 0 0 "[ . 1 . 2]" 1
962 1 71 LEU MD2 1 72 PRO HA 2.000 . 5.000 2.358 2.100 2.487 . 0 0 "[ . 1 . 2]" 1
963 1 42 ILE MG 1 72 PRO HA 2.000 . 6.500 4.181 4.065 4.375 . 0 0 "[ . 1 . 2]" 1
964 1 73 TYR HA 1 73 TYR HB3 2.000 . 2.700 2.324 2.319 2.330 . 0 0 "[ . 1 . 2]" 1
965 1 73 TYR HA 1 73 TYR HD2 2.000 . 4.000 4.356 4.345 4.371 0.371 17 0 "[ . 1 . 2]" 1
966 1 73 TYR HA 1 73 TYR HD1 2.000 . 3.000 2.805 2.786 2.829 . 0 0 "[ . 1 . 2]" 1
967 1 73 TYR HA 1 73 TYR HE1 2.000 . 5.000 5.015 5.003 5.032 0.032 4 0 "[ . 1 . 2]" 1
968 1 74 ARG HA 1 74 ARG HB3 2.000 . 2.700 2.609 2.581 2.640 . 0 0 "[ . 1 . 2]" 1
969 1 74 ARG HA 1 75 TYR HD1 2.000 . 4.500 4.745 4.708 4.775 0.275 10 0 "[ . 1 . 2]" 1
970 1 74 ARG HA 1 75 TYR HD2 2.000 . 5.000 4.059 3.966 4.136 . 0 0 "[ . 1 . 2]" 1
971 1 75 TYR HA 1 75 TYR HB3 2.000 . 2.700 2.275 2.271 2.280 . 0 0 "[ . 1 . 2]" 1
972 1 75 TYR HA 1 75 TYR HD1 2.000 . 3.000 2.862 2.813 2.901 . 0 0 "[ . 1 . 2]" 1
973 1 75 TYR HA 1 75 TYR HD2 2.000 . 4.000 4.427 4.411 4.445 0.445 6 0 "[ . 1 . 2]" 1
974 1 5 PHE HE2 1 75 TYR HA 2.000 . 5.000 3.862 3.789 3.920 . 0 0 "[ . 1 . 2]" 1
975 1 5 PHE HE1 1 75 TYR HA 2.000 . 4.500 3.525 3.479 3.583 . 0 0 "[ . 1 . 2]" 1
976 1 66 LYS HB3 1 75 TYR HA 2.000 . 5.000 4.061 4.006 4.096 . 0 0 "[ . 1 . 2]" 1
977 1 66 LYS HB2 1 75 TYR HA 2.000 . 5.000 5.025 5.004 5.042 0.042 10 0 "[ . 1 . 2]" 1
978 1 76 LEU HA 1 76 LEU HB2 2.000 . 2.700 2.452 2.441 2.463 . 0 0 "[ . 1 . 2]" 1
979 1 76 LEU HA 1 76 LEU HG 2.000 . 3.500 2.803 2.771 2.838 . 0 0 "[ . 1 . 2]" 1
980 1 76 LEU HA 1 76 LEU MD1 2.000 . 4.200 2.036 1.917 2.170 . 0 0 "[ . 1 . 2]" 1
981 1 76 LEU HA 1 76 LEU MD2 2.000 . 6.000 3.802 3.793 3.810 . 0 0 "[ . 1 . 2]" 1
982 1 77 ILE HA 1 77 ILE HG13 2.000 . 4.000 3.353 3.331 3.368 . 0 0 "[ . 1 . 2]" 1
983 1 77 ILE HA 1 77 ILE HG12 2.000 . 3.200 2.442 2.400 2.482 . 0 0 "[ . 1 . 2]" 1
984 1 77 ILE HA 1 77 ILE MG 2.000 . 4.200 2.336 2.290 2.361 . 0 0 "[ . 1 . 2]" 1
985 1 77 ILE HA 1 77 ILE MD 2.000 . 6.500 3.650 3.611 3.682 . 0 0 "[ . 1 . 2]" 1
986 1 63 LEU MD1 1 77 ILE HA 2.000 . 6.500 3.737 3.608 3.951 . 0 0 "[ . 1 . 2]" 1
987 1 64 VAL MG1 1 77 ILE HA 2.000 . 5.500 4.802 4.775 4.830 . 0 0 "[ . 1 . 2]" 1
988 1 38 THR HB 1 78 ARG HA 2.000 . 5.000 4.148 4.082 4.207 . 0 0 "[ . 1 . 2]" 1
989 1 38 THR MG 1 78 ARG HA 2.000 . 4.500 2.335 2.126 2.593 . 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 220
_Distance_constraint_stats_list.Viol_count 225
_Distance_constraint_stats_list.Viol_total 384.862
_Distance_constraint_stats_list.Viol_max 0.247
_Distance_constraint_stats_list.Viol_rms 0.0260
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0855
_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 3 ASP 0.066 0.066 15 0 "[ . 1 . 2]"
1 4 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 PHE 2.772 0.152 13 0 "[ . 1 . 2]"
1 6 SER 0.066 0.066 15 0 "[ . 1 . 2]"
1 8 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ASP 0.136 0.029 1 0 "[ . 1 . 2]"
1 10 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LEU 0.851 0.056 16 0 "[ . 1 . 2]"
1 13 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ALA 0.001 0.001 19 0 "[ . 1 . 2]"
1 15 LEU 2.831 0.230 20 0 "[ . 1 . 2]"
1 17 LEU 0.098 0.015 2 0 "[ . 1 . 2]"
1 19 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLU 0.098 0.015 2 0 "[ . 1 . 2]"
1 22 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 VAL 1.330 0.096 20 0 "[ . 1 . 2]"
1 25 MET 0.004 0.004 16 0 "[ . 1 . 2]"
1 26 VAL 3.916 0.225 15 0 "[ . 1 . 2]"
1 27 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 THR 0.332 0.082 13 0 "[ . 1 . 2]"
1 30 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLU 0.136 0.029 1 0 "[ . 1 . 2]"
1 38 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LEU 0.332 0.082 13 0 "[ . 1 . 2]"
1 40 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ILE 5.971 0.225 15 0 "[ . 1 . 2]"
1 42 ILE 2.689 0.230 20 0 "[ . 1 . 2]"
1 43 ALA 0.001 0.001 19 0 "[ . 1 . 2]"
1 44 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ASP 0.134 0.057 3 0 "[ . 1 . 2]"
1 52 ILE 0.045 0.024 2 0 "[ . 1 . 2]"
1 53 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 PHE 1.196 0.096 20 0 "[ . 1 . 2]"
1 58 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 LYS 0.306 0.043 8 0 "[ . 1 . 2]"
1 67 GLU 2.772 0.152 13 0 "[ . 1 . 2]"
1 68 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 LEU 4.916 0.247 16 0 "[ . 1 . 2]"
1 72 PRO 0.143 0.032 2 0 "[ . 1 . 2]"
1 73 TYR 0.478 0.040 19 0 "[ . 1 . 2]"
1 74 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 TYR 1.947 0.087 8 0 "[ . 1 . 2]"
1 76 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 ASP QB 1 6 SER QB 2.000 . 6.500 4.025 1.734 5.242 0.066 15 0 "[ . 1 . 2]" 2
2 1 4 LEU MD1 1 65 ALA MB 2.000 . 5.700 2.238 1.855 2.688 . 0 0 "[ . 1 . 2]" 2
3 1 5 PHE HB3 1 40 LEU MD1 2.000 . 6.500 3.175 2.611 3.489 . 0 0 "[ . 1 . 2]" 2
4 1 5 PHE HB2 1 40 LEU MD1 2.000 . 6.500 4.238 3.788 4.497 . 0 0 "[ . 1 . 2]" 2
5 1 5 PHE HD2 1 40 LEU MD1 2.000 . 6.500 2.460 2.207 2.678 . 0 0 "[ . 1 . 2]" 2
6 1 5 PHE HD1 1 40 LEU MD1 2.000 . 6.500 3.821 3.494 4.076 . 0 0 "[ . 1 . 2]" 2
7 1 5 PHE HE2 1 65 ALA MB 2.000 . 6.500 4.497 4.439 4.564 . 0 0 "[ . 1 . 2]" 2
8 1 5 PHE HE1 1 65 ALA MB 2.000 . 6.500 1.897 1.821 2.016 . 0 0 "[ . 1 . 2]" 2
9 1 5 PHE HZ 1 65 ALA MB 2.000 . 6.000 3.380 3.337 3.418 . 0 0 "[ . 1 . 2]" 2
10 1 5 PHE HZ 1 67 GLU HB3 2.000 . 5.000 5.128 5.111 5.152 0.152 13 0 "[ . 1 . 2]" 2
11 1 5 PHE HZ 1 67 GLU HG3 2.000 . 5.000 3.745 3.231 5.083 0.083 13 0 "[ . 1 . 2]" 2
12 1 5 PHE HZ 1 67 GLU HG2 2.000 . 5.000 4.027 3.338 5.043 0.043 13 0 "[ . 1 . 2]" 2
13 1 8 PRO HB3 1 40 LEU HB3 2.000 . 5.000 3.697 3.578 3.836 . 0 0 "[ . 1 . 2]" 2
14 1 8 PRO HB3 1 40 LEU HB2 2.000 . 5.000 2.869 2.756 2.961 . 0 0 "[ . 1 . 2]" 2
15 1 8 PRO HB3 1 76 LEU MD2 2.000 . 5.000 3.586 3.537 3.627 . 0 0 "[ . 1 . 2]" 2
16 1 8 PRO HB3 1 76 LEU MD1 2.000 . 5.500 2.051 1.983 2.136 . 0 0 "[ . 1 . 2]" 2
17 1 8 PRO HB2 1 40 LEU HB3 2.000 . 5.000 3.602 3.461 3.740 . 0 0 "[ . 1 . 2]" 2
18 1 8 PRO HB2 1 40 LEU HB2 2.000 . 5.000 3.618 3.518 3.705 . 0 0 "[ . 1 . 2]" 2
19 1 8 PRO HB2 1 76 LEU MD2 2.000 . 6.000 4.872 4.854 4.888 . 0 0 "[ . 1 . 2]" 2
20 1 8 PRO HB2 1 76 LEU MD1 2.000 . 5.500 3.025 2.988 3.059 . 0 0 "[ . 1 . 2]" 2
21 1 8 PRO HG3 1 40 LEU HB3 2.000 . 5.000 2.122 1.973 2.357 . 0 0 "[ . 1 . 2]" 2
22 1 8 PRO HG3 1 40 LEU HB2 2.000 . 5.000 1.859 1.844 1.892 . 0 0 "[ . 1 . 2]" 2
23 1 8 PRO HG2 1 40 LEU HB3 2.000 . 5.000 2.700 2.596 2.894 . 0 0 "[ . 1 . 2]" 2
24 1 8 PRO HG2 1 40 LEU HB2 2.000 . 5.000 3.343 3.282 3.392 . 0 0 "[ . 1 . 2]" 2
25 1 9 ASP HB3 1 10 HIS HD2 2.000 . 5.000 2.217 2.127 2.304 . 0 0 "[ . 1 . 2]" 2
26 1 9 ASP HB2 1 10 HIS HD2 2.000 . 4.500 2.659 2.524 2.834 . 0 0 "[ . 1 . 2]" 2
27 1 9 ASP HB2 1 37 GLU HB2 2.000 . 4.500 4.483 4.386 4.529 0.029 1 0 "[ . 1 . 2]" 2
28 1 10 HIS HB2 1 39 LEU MD1 2.000 . 4.200 1.977 1.911 2.056 . 0 0 "[ . 1 . 2]" 2
29 1 11 THR MG 1 13 ASP HB2 2.000 . 6.500 4.188 4.099 4.298 . 0 0 "[ . 1 . 2]" 2
30 1 11 THR MG 1 40 LEU HG 2.000 . 5.000 3.055 2.834 3.505 . 0 0 "[ . 1 . 2]" 2
31 1 11 THR MG 1 40 LEU HB3 2.000 . 5.500 2.893 2.659 3.101 . 0 0 "[ . 1 . 2]" 2
32 1 11 THR MG 1 42 ILE MD 2.000 . 5.700 3.890 3.862 3.932 . 0 0 "[ . 1 . 2]" 2
33 1 12 LEU HB3 1 12 LEU MD1 2.000 . 5.000 3.186 3.174 3.191 . 0 0 "[ . 1 . 2]" 2
34 1 12 LEU HB3 1 12 LEU MD2 2.000 . 4.700 2.598 2.534 2.622 . 0 0 "[ . 1 . 2]" 2
35 1 12 LEU HB2 1 12 LEU MD1 2.000 . 4.200 2.496 2.464 2.514 . 0 0 "[ . 1 . 2]" 2
36 1 12 LEU HB2 1 12 LEU MD2 2.000 . 4.700 2.126 2.093 2.164 . 0 0 "[ . 1 . 2]" 2
37 1 12 LEU HG 1 14 ALA MB 2.000 . 3.200 2.574 2.493 2.638 . 0 0 "[ . 1 . 2]" 2
38 1 12 LEU MD1 1 14 ALA MB 2.000 . 6.500 3.250 3.184 3.318 . 0 0 "[ . 1 . 2]" 2
39 1 12 LEU HB3 1 41 ILE HG13 2.000 . 5.000 3.818 3.781 3.841 . 0 0 "[ . 1 . 2]" 2
40 1 12 LEU HB3 1 41 ILE HG12 2.000 . 4.000 2.290 2.239 2.323 . 0 0 "[ . 1 . 2]" 2
41 1 12 LEU HB2 1 41 ILE HG13 2.000 . 5.000 5.041 4.974 5.056 0.056 16 0 "[ . 1 . 2]" 2
42 1 12 LEU HB2 1 41 ILE HG12 2.000 . 4.500 3.413 3.315 3.443 . 0 0 "[ . 1 . 2]" 2
43 1 12 LEU MD1 1 25 MET QG 2.000 . 6.500 2.376 2.015 2.749 . 0 0 "[ . 1 . 2]" 2
44 1 12 LEU MD2 1 25 MET HB3 2.000 . 5.000 2.316 2.061 2.562 . 0 0 "[ . 1 . 2]" 2
45 1 12 LEU MD2 1 25 MET HB2 2.000 . 5.000 1.838 1.796 1.952 0.004 16 0 "[ . 1 . 2]" 2
46 1 14 ALA MB 1 17 LEU HB2 2.000 . 4.000 2.369 2.303 2.417 . 0 0 "[ . 1 . 2]" 2
47 1 14 ALA MB 1 17 LEU MD1 2.000 . 8.000 2.681 2.455 2.882 . 0 0 "[ . 1 . 2]" 2
48 1 14 ALA MB 1 17 LEU MD2 2.000 . 6.000 4.389 4.347 4.418 . 0 0 "[ . 1 . 2]" 2
49 1 14 ALA MB 1 22 PRO HA 2.000 . 5.000 3.148 3.011 3.305 . 0 0 "[ . 1 . 2]" 2
50 1 14 ALA MB 1 22 PRO HB3 2.000 . 6.000 1.855 1.820 1.907 . 0 0 "[ . 1 . 2]" 2
51 1 14 ALA MB 1 41 ILE MG 2.000 . 6.000 2.601 2.558 2.647 . 0 0 "[ . 1 . 2]" 2
52 1 14 ALA MB 1 43 ALA MB 2.000 . 6.000 1.880 1.799 1.989 0.001 19 0 "[ . 1 . 2]" 2
53 1 14 ALA MB 1 48 THR MG 2.000 . 7.000 2.226 2.089 2.370 . 0 0 "[ . 1 . 2]" 2
54 1 15 LEU HB3 1 15 LEU MD1 2.000 . 4.200 2.397 2.239 2.597 . 0 0 "[ . 1 . 2]" 2
55 1 15 LEU HB3 1 15 LEU MD2 2.000 . 5.000 2.273 2.016 2.483 . 0 0 "[ . 1 . 2]" 2
56 1 15 LEU HB2 1 15 LEU MD1 2.000 . 4.200 2.302 2.070 2.466 . 0 0 "[ . 1 . 2]" 2
57 1 15 LEU HB2 1 15 LEU MD2 2.000 . 5.500 3.162 3.123 3.185 . 0 0 "[ . 1 . 2]" 2
58 1 15 LEU HG 1 42 ILE MG 2.000 . 5.000 3.108 2.569 3.539 . 0 0 "[ . 1 . 2]" 2
59 1 15 LEU HG 1 43 ALA HA 2.000 . 4.500 3.769 3.255 4.215 . 0 0 "[ . 1 . 2]" 2
60 1 15 LEU MD2 1 42 ILE HB 2.000 . 6.500 2.376 1.821 3.201 . 0 0 "[ . 1 . 2]" 2
61 1 15 LEU MD2 1 42 ILE MG 2.000 . 5.700 1.667 1.570 1.833 0.230 20 0 "[ . 1 . 2]" 2
62 1 15 LEU MD2 1 43 ALA MB 2.000 . 7.500 3.405 3.176 3.764 . 0 0 "[ . 1 . 2]" 2
63 1 15 LEU MD2 1 44 ASP HB3 2.000 . 4.700 2.228 1.826 2.671 . 0 0 "[ . 1 . 2]" 2
64 1 15 LEU MD2 1 44 ASP HB2 2.000 . 5.000 3.690 3.152 4.039 . 0 0 "[ . 1 . 2]" 2
65 1 15 LEU MD2 1 72 PRO HB3 2.000 . 5.000 2.041 1.786 2.458 0.014 13 0 "[ . 1 . 2]" 2
66 1 15 LEU MD2 1 72 PRO HB2 2.000 . 4.200 1.816 1.768 1.882 0.032 2 0 "[ . 1 . 2]" 2
67 1 17 LEU HB3 1 17 LEU MD1 2.000 . 5.000 2.107 2.018 2.154 . 0 0 "[ . 1 . 2]" 2
68 1 17 LEU HB3 1 17 LEU MD2 2.000 . 5.000 2.607 2.541 2.641 . 0 0 "[ . 1 . 2]" 2
69 1 17 LEU HB2 1 17 LEU MD1 2.000 . 5.000 2.584 2.540 2.629 . 0 0 "[ . 1 . 2]" 2
70 1 17 LEU HB2 1 17 LEU MD2 2.000 . 5.500 3.135 3.128 3.146 . 0 0 "[ . 1 . 2]" 2
71 1 17 LEU HB3 1 21 GLU HB3 2.000 . 3.500 3.238 2.988 3.383 . 0 0 "[ . 1 . 2]" 2
72 1 17 LEU HB3 1 21 GLU HB2 2.000 . 3.500 3.334 3.228 3.368 . 0 0 "[ . 1 . 2]" 2
73 1 17 LEU HB3 1 22 PRO HG3 2.000 . 4.500 3.236 3.161 3.356 . 0 0 "[ . 1 . 2]" 2
74 1 17 LEU MD2 1 21 GLU HB3 2.000 . 4.000 2.976 2.936 3.025 . 0 0 "[ . 1 . 2]" 2
75 1 17 LEU MD2 1 21 GLU QG 2.000 . 7.500 4.241 3.892 4.404 . 0 0 "[ . 1 . 2]" 2
76 1 19 CYS HB3 1 47 ALA MB 2.000 . 4.700 2.652 2.520 2.850 . 0 0 "[ . 1 . 2]" 2
77 1 19 CYS HB2 1 47 ALA MB 2.000 . 5.000 3.015 2.861 3.203 . 0 0 "[ . 1 . 2]" 2
78 1 20 PRO QD 1 21 GLU QG 2.000 . 8.000 3.136 2.922 3.451 . 0 0 "[ . 1 . 2]" 2
79 1 21 GLU HB3 1 22 PRO HD3 2.000 . 4.000 2.999 2.851 3.112 . 0 0 "[ . 1 . 2]" 2
80 1 21 GLU HB2 1 22 PRO HD3 2.000 . 3.500 1.893 1.862 1.953 . 0 0 "[ . 1 . 2]" 2
81 1 21 GLU QG 1 22 PRO HD3 2.000 . 6.500 3.864 3.723 4.070 . 0 0 "[ . 1 . 2]" 2
82 1 17 LEU MD1 1 21 GLU HB3 2.000 . 5.500 2.910 2.745 3.051 . 0 0 "[ . 1 . 2]" 2
83 1 17 LEU HB2 1 21 GLU HB2 2.000 . 5.000 4.984 4.883 5.015 0.015 2 0 "[ . 1 . 2]" 2
84 1 17 LEU MD1 1 21 GLU HB2 2.000 . 5.000 3.947 3.881 4.082 . 0 0 "[ . 1 . 2]" 2
85 1 17 LEU MD2 1 21 GLU HB2 2.000 . 5.500 3.697 3.618 3.803 . 0 0 "[ . 1 . 2]" 2
86 1 21 GLU QG 1 25 MET QG 2.000 . 8.000 5.586 5.178 6.386 . 0 0 "[ . 1 . 2]" 2
87 1 22 PRO HB3 1 52 ILE MD 2.000 . 6.500 2.575 2.518 2.620 . 0 0 "[ . 1 . 2]" 2
88 1 22 PRO HB2 1 52 ILE MD 2.000 . 6.000 1.824 1.801 1.895 . 0 0 "[ . 1 . 2]" 2
89 1 23 VAL MG1 1 27 ARG QD 2.000 . 7.000 4.444 2.317 5.208 . 0 0 "[ . 1 . 2]" 2
90 1 23 VAL MG1 1 55 PHE HB2 2.000 . 6.000 1.740 1.704 1.801 0.096 20 0 "[ . 1 . 2]" 2
91 1 23 VAL MG1 1 55 PHE HD2 2.000 . 5.000 2.141 1.964 2.335 . 0 0 "[ . 1 . 2]" 2
92 1 23 VAL MG1 1 55 PHE HD1 2.000 . 6.500 3.651 3.516 3.753 . 0 0 "[ . 1 . 2]" 2
93 1 23 VAL MG1 1 55 PHE HE2 2.000 . 5.500 3.789 3.697 3.939 . 0 0 "[ . 1 . 2]" 2
94 1 23 VAL MG1 1 55 PHE HZ 2.000 . 6.000 4.799 4.667 4.898 . 0 0 "[ . 1 . 2]" 2
95 1 23 VAL MG2 1 48 THR HA 2.000 . 6.500 3.458 3.310 3.684 . 0 0 "[ . 1 . 2]" 2
96 1 23 VAL MG2 1 51 ASP HA 2.000 . 6.500 3.317 3.172 3.435 . 0 0 "[ . 1 . 2]" 2
97 1 23 VAL MG2 1 51 ASP HB3 2.000 . 4.700 1.838 1.743 1.987 0.057 3 0 "[ . 1 . 2]" 2
98 1 23 VAL MG2 1 51 ASP HB2 2.000 . 5.000 2.442 2.279 2.686 . 0 0 "[ . 1 . 2]" 2
99 1 23 VAL MG2 1 55 PHE HB2 2.000 . 6.500 2.999 2.597 3.497 . 0 0 "[ . 1 . 2]" 2
100 1 26 VAL MG2 1 29 THR MG 2.000 . 5.700 3.716 3.682 3.740 . 0 0 "[ . 1 . 2]" 2
101 1 26 VAL MG1 1 39 LEU MD2 2.000 . 6.000 2.450 2.283 2.580 . 0 0 "[ . 1 . 2]" 2
102 1 26 VAL MG2 1 41 ILE HG13 2.000 . 4.700 3.938 3.908 3.962 . 0 0 "[ . 1 . 2]" 2
103 1 26 VAL MG2 1 41 ILE HG12 2.000 . 6.000 3.569 3.480 3.655 . 0 0 "[ . 1 . 2]" 2
104 1 26 VAL MG2 1 41 ILE MD 2.000 . 5.000 1.604 1.575 1.634 0.225 15 0 "[ . 1 . 2]" 2
105 1 26 VAL MG2 1 52 ILE MG 2.000 . 7.500 2.194 2.051 2.293 . 0 0 "[ . 1 . 2]" 2
106 1 26 VAL MG2 1 52 ILE MD 2.000 . 5.700 2.578 2.376 2.743 . 0 0 "[ . 1 . 2]" 2
107 1 26 VAL MG2 1 55 PHE HE2 2.000 . 6.500 3.516 3.497 3.547 . 0 0 "[ . 1 . 2]" 2
108 1 26 VAL MG2 1 55 PHE HZ 2.000 . 6.500 5.455 5.407 5.499 . 0 0 "[ . 1 . 2]" 2
109 1 27 ARG HB3 1 31 ARG QG 2.000 . 4.200 3.647 3.596 3.732 . 0 0 "[ . 1 . 2]" 2
110 1 27 ARG HB3 1 31 ARG QD 2.000 . 4.200 3.444 2.356 3.859 . 0 0 "[ . 1 . 2]" 2
111 1 27 ARG HB3 1 31 ARG HG3 2.000 . 6.500 3.750 3.685 3.868 . 0 0 "[ . 1 . 2]" 2
112 1 29 THR HB 1 39 LEU MD2 2.000 . 5.000 3.379 3.212 3.509 . 0 0 "[ . 1 . 2]" 2
113 1 29 THR MG 1 39 LEU MD2 2.000 . 6.200 1.830 1.718 1.958 0.082 13 0 "[ . 1 . 2]" 2
114 1 27 ARG QG 1 30 VAL MG1 2.000 . 8.000 4.286 3.486 4.771 . 0 0 "[ . 1 . 2]" 2
115 1 30 VAL MG1 1 79 LYS HA 2.000 . 6.000 4.935 4.879 4.988 . 0 0 "[ . 1 . 2]" 2
116 1 30 VAL MG1 1 79 LYS QG 2.000 . 7.500 3.515 2.909 4.439 . 0 0 "[ . 1 . 2]" 2
117 1 30 VAL MG1 1 79 LYS QD 2.000 . 7.500 2.937 2.005 4.186 . 0 0 "[ . 1 . 2]" 2
118 1 30 VAL MG1 1 79 LYS QE 2.000 . 7.000 2.761 1.854 4.240 . 0 0 "[ . 1 . 2]" 2
119 1 30 VAL MG2 1 55 PHE HD1 2.000 . 6.500 5.300 5.254 5.356 . 0 0 "[ . 1 . 2]" 2
120 1 30 VAL MG2 1 55 PHE HE1 2.000 . 5.000 3.927 3.887 4.004 . 0 0 "[ . 1 . 2]" 2
121 1 34 GLN HB3 1 37 GLU QG 2.000 . 6.500 3.767 3.151 4.521 . 0 0 "[ . 1 . 2]" 2
122 1 34 GLN HB2 1 37 GLU QG 2.000 . 6.500 2.421 1.987 2.879 . 0 0 "[ . 1 . 2]" 2
123 1 8 PRO HA 1 38 THR HB 2.000 . 4.500 3.146 2.973 3.323 . 0 0 "[ . 1 . 2]" 2
124 1 38 THR HB 1 76 LEU HG 2.000 . 4.000 3.477 3.361 3.694 . 0 0 "[ . 1 . 2]" 2
125 1 38 THR HB 1 76 LEU MD2 2.000 . 4.200 2.717 2.631 2.846 . 0 0 "[ . 1 . 2]" 2
126 1 38 THR HB 1 76 LEU MD1 2.000 . 7.000 2.143 1.926 2.370 . 0 0 "[ . 1 . 2]" 2
127 1 39 LEU HB3 1 39 LEU MD2 2.000 . 5.000 2.178 2.103 2.207 . 0 0 "[ . 1 . 2]" 2
128 1 39 LEU HB2 1 39 LEU MD2 2.000 . 5.000 2.635 2.608 2.682 . 0 0 "[ . 1 . 2]" 2
129 1 40 LEU HB3 1 40 LEU MD2 2.000 . 5.000 2.263 2.097 2.398 . 0 0 "[ . 1 . 2]" 2
130 1 40 LEU HB2 1 40 LEU MD1 2.000 . 6.000 2.266 2.107 2.388 . 0 0 "[ . 1 . 2]" 2
131 1 40 LEU HB2 1 40 LEU MD2 2.000 . 5.000 2.421 2.297 2.639 . 0 0 "[ . 1 . 2]" 2
132 1 40 LEU MD1 1 74 ARG HB3 2.000 . 5.500 2.354 2.094 2.639 . 0 0 "[ . 1 . 2]" 2
133 1 40 LEU MD1 1 74 ARG HB2 2.000 . 6.500 3.802 3.633 4.131 . 0 0 "[ . 1 . 2]" 2
134 1 41 ILE HB 1 41 ILE MG 2.000 . 4.200 2.109 2.106 2.115 . 0 0 "[ . 1 . 2]" 2
135 1 41 ILE HB 1 41 ILE MD 2.000 . 4.200 2.556 2.528 2.597 . 0 0 "[ . 1 . 2]" 2
136 1 41 ILE MG 1 43 ALA MB 2.000 . 6.200 3.476 3.274 3.587 . 0 0 "[ . 1 . 2]" 2
137 1 41 ILE HB 1 75 TYR HB2 2.000 . 3.200 3.258 3.230 3.287 0.087 8 0 "[ . 1 . 2]" 2
138 1 41 ILE HB 1 75 TYR HD2 2.000 . 3.500 2.502 2.415 2.592 . 0 0 "[ . 1 . 2]" 2
139 1 41 ILE HG13 1 76 LEU MD1 2.000 . 5.500 4.379 4.287 4.453 . 0 0 "[ . 1 . 2]" 2
140 1 41 ILE HG12 1 76 LEU MD1 2.000 . 6.000 4.930 4.830 4.994 . 0 0 "[ . 1 . 2]" 2
141 1 41 ILE MG 1 52 ILE MD 2.000 . 6.200 1.953 1.776 2.171 0.024 2 0 "[ . 1 . 2]" 2
142 1 41 ILE MG 1 75 TYR HD2 2.000 . 5.000 3.203 3.129 3.278 . 0 0 "[ . 1 . 2]" 2
143 1 41 ILE MD 1 75 TYR HB2 2.000 . 5.000 3.874 3.655 4.046 . 0 0 "[ . 1 . 2]" 2
144 1 42 ILE HB 1 42 ILE MG 2.000 . 4.200 2.137 2.116 2.154 . 0 0 "[ . 1 . 2]" 2
145 1 42 ILE HB 1 42 ILE MD 2.000 . 4.200 2.529 2.390 2.639 . 0 0 "[ . 1 . 2]" 2
146 1 42 ILE MG 1 72 PRO HB3 2.000 . 5.000 3.172 3.099 3.326 . 0 0 "[ . 1 . 2]" 2
147 1 42 ILE MG 1 72 PRO HB2 2.000 . 4.500 1.925 1.800 2.074 0.000 18 0 "[ . 1 . 2]" 2
148 1 42 ILE MD 1 74 ARG QD 2.000 . 8.000 2.387 1.843 3.047 . 0 0 "[ . 1 . 2]" 2
149 1 43 ALA MB 1 48 THR HB 2.000 . 6.000 1.961 1.890 2.069 . 0 0 "[ . 1 . 2]" 2
150 1 43 ALA MB 1 48 THR MG 2.000 . 5.700 2.347 2.106 2.471 . 0 0 "[ . 1 . 2]" 2
151 1 43 ALA MB 1 52 ILE MD 2.000 . 8.000 2.682 2.560 2.789 . 0 0 "[ . 1 . 2]" 2
152 1 43 ALA MB 1 75 TYR HE2 2.000 . 4.500 2.222 2.056 2.366 . 0 0 "[ . 1 . 2]" 2
153 1 44 ASP HB3 1 71 LEU MD2 2.000 . 6.500 3.795 3.502 4.006 . 0 0 "[ . 1 . 2]" 2
154 1 44 ASP HB2 1 71 LEU MD2 2.000 . 5.000 2.867 2.660 2.996 . 0 0 "[ . 1 . 2]" 2
155 1 45 ASP HB3 1 48 THR MG 2.000 . 4.200 1.921 1.808 2.269 . 0 0 "[ . 1 . 2]" 2
156 1 45 ASP HB2 1 48 THR MG 2.000 . 6.500 3.299 3.220 3.517 . 0 0 "[ . 1 . 2]" 2
157 1 48 THR HB 1 52 ILE HB 2.000 . 5.000 3.030 2.961 3.150 . 0 0 "[ . 1 . 2]" 2
158 1 48 THR HB 1 52 ILE QG 2.000 . 4.200 3.015 2.904 3.205 . 0 0 "[ . 1 . 2]" 2
159 1 48 THR HB 1 52 ILE MD 2.000 . 4.700 2.400 2.051 2.585 . 0 0 "[ . 1 . 2]" 2
160 1 48 THR MG 1 52 ILE QG 2.000 . 6.500 2.468 2.077 2.675 . 0 0 "[ . 1 . 2]" 2
161 1 48 THR MG 1 52 ILE MD 2.000 . 6.000 2.247 2.019 2.592 . 0 0 "[ . 1 . 2]" 2
162 1 48 THR HB 1 75 TYR HE2 2.000 . 4.000 3.068 2.907 3.189 . 0 0 "[ . 1 . 2]" 2
163 1 48 THR MG 1 75 TYR HE2 2.000 . 6.500 4.561 4.425 4.669 . 0 0 "[ . 1 . 2]" 2
164 1 52 ILE HB 1 52 ILE MG 2.000 . 4.200 2.153 2.133 2.156 . 0 0 "[ . 1 . 2]" 2
165 1 52 ILE HB 1 52 ILE MD 2.000 . 6.000 2.465 2.418 2.541 . 0 0 "[ . 1 . 2]" 2
166 1 52 ILE HB 1 53 PRO HD3 2.000 . 2.700 1.943 1.899 1.998 . 0 0 "[ . 1 . 2]" 2
167 1 52 ILE HB 1 53 PRO HD2 2.000 . 3.200 2.948 2.848 3.044 . 0 0 "[ . 1 . 2]" 2
168 1 52 ILE MG 1 53 PRO HD3 2.000 . 5.000 2.349 2.233 2.430 . 0 0 "[ . 1 . 2]" 2
169 1 52 ILE MG 1 53 PRO HD2 2.000 . 6.500 3.549 3.492 3.619 . 0 0 "[ . 1 . 2]" 2
170 1 52 ILE HB 1 75 TYR HE2 2.000 . 5.000 3.447 3.327 3.580 . 0 0 "[ . 1 . 2]" 2
171 1 52 ILE QG 1 75 TYR HE2 2.000 . 6.500 4.700 4.595 4.783 . 0 0 "[ . 1 . 2]" 2
172 1 52 ILE MG 1 75 TYR HE2 2.000 . 6.500 3.279 3.143 3.420 . 0 0 "[ . 1 . 2]" 2
173 1 52 ILE MD 1 75 TYR HD2 2.000 . 6.500 3.492 3.304 3.739 . 0 0 "[ . 1 . 2]" 2
174 1 52 ILE MD 1 75 TYR HE2 2.000 . 6.500 3.128 2.949 3.286 . 0 0 "[ . 1 . 2]" 2
175 1 55 PHE QD 1 58 PHE HB3 2.000 . 7.000 3.040 2.791 3.583 . 0 0 "[ . 1 . 2]" 2
176 1 55 PHE QD 1 58 PHE HB2 2.000 . 6.500 3.998 3.602 4.580 . 0 0 "[ . 1 . 2]" 2
177 1 61 HIS HB3 1 77 ILE MG 2.000 . 6.000 2.440 2.283 2.545 . 0 0 "[ . 1 . 2]" 2
178 1 61 HIS HB2 1 77 ILE MG 2.000 . 6.500 2.747 2.667 2.831 . 0 0 "[ . 1 . 2]" 2
179 1 63 LEU MD1 1 66 LYS HB3 2.000 . 6.500 3.159 2.979 3.272 . 0 0 "[ . 1 . 2]" 2
180 1 63 LEU MD1 1 66 LYS HB2 2.000 . 5.000 4.044 3.961 4.083 . 0 0 "[ . 1 . 2]" 2
181 1 63 LEU MD2 1 66 LYS HB3 2.000 . 6.000 3.391 3.310 3.567 . 0 0 "[ . 1 . 2]" 2
182 1 63 LEU MD2 1 66 LYS HB2 2.000 . 6.000 3.870 3.848 3.961 . 0 0 "[ . 1 . 2]" 2
183 1 63 LEU MD1 1 75 TYR HB3 2.000 . 5.000 2.156 2.066 2.352 . 0 0 "[ . 1 . 2]" 2
184 1 63 LEU MD1 1 75 TYR HB2 2.000 . 5.000 3.229 3.127 3.394 . 0 0 "[ . 1 . 2]" 2
185 1 63 LEU MD1 1 75 TYR HD1 2.000 . 5.000 3.494 3.375 3.669 . 0 0 "[ . 1 . 2]" 2
186 1 63 LEU MD1 1 77 ILE MG 2.000 . 6.200 3.863 3.741 3.958 . 0 0 "[ . 1 . 2]" 2
187 1 63 LEU MD1 1 77 ILE MD 2.000 . 7.500 3.285 3.079 3.412 . 0 0 "[ . 1 . 2]" 2
188 1 64 VAL HB 1 76 LEU HB3 2.000 . 3.500 2.093 1.981 2.132 . 0 0 "[ . 1 . 2]" 2
189 1 64 VAL HB 1 76 LEU HB2 2.000 . 4.500 3.552 3.465 3.585 . 0 0 "[ . 1 . 2]" 2
190 1 64 VAL HB 1 76 LEU HG 2.000 . 4.000 2.215 2.143 2.293 . 0 0 "[ . 1 . 2]" 2
191 1 64 VAL HB 1 76 LEU MD1 2.000 . 4.200 3.683 3.655 3.708 . 0 0 "[ . 1 . 2]" 2
192 1 65 ALA MB 1 76 LEU HB3 2.000 . 5.000 2.542 2.500 2.627 . 0 0 "[ . 1 . 2]" 2
193 1 65 ALA MB 1 76 LEU HB2 2.000 . 6.500 2.984 2.889 3.134 . 0 0 "[ . 1 . 2]" 2
194 1 66 LYS HB3 1 68 THR MG 2.000 . 5.000 3.253 3.142 3.386 . 0 0 "[ . 1 . 2]" 2
195 1 66 LYS HB2 1 68 THR MG 2.000 . 6.500 3.342 3.050 3.618 . 0 0 "[ . 1 . 2]" 2
196 1 66 LYS QG 1 68 THR MG 2.000 . 7.500 4.441 4.292 4.563 . 0 0 "[ . 1 . 2]" 2
197 1 66 LYS QE 1 68 THR MG 2.000 . 6.500 4.607 4.448 4.779 . 0 0 "[ . 1 . 2]" 2
198 1 66 LYS HB3 1 75 TYR HD1 2.000 . 4.500 2.469 2.437 2.509 . 0 0 "[ . 1 . 2]" 2
199 1 66 LYS HB2 1 75 TYR HD1 2.000 . 4.000 4.014 3.986 4.043 0.043 8 0 "[ . 1 . 2]" 2
200 1 67 GLU HB3 1 74 ARG HB3 2.000 . 5.000 4.013 3.900 4.151 . 0 0 "[ . 1 . 2]" 2
201 1 67 GLU HB3 1 74 ARG HB2 2.000 . 4.500 2.404 2.316 2.608 . 0 0 "[ . 1 . 2]" 2
202 1 67 GLU HB2 1 74 ARG HB3 2.000 . 5.000 2.893 2.782 3.010 . 0 0 "[ . 1 . 2]" 2
203 1 68 THR HB 1 73 TYR HE1 2.000 . 4.500 4.128 3.836 4.305 . 0 0 "[ . 1 . 2]" 2
204 1 68 THR MG 1 73 TYR HB3 2.000 . 5.000 3.164 2.994 3.303 . 0 0 "[ . 1 . 2]" 2
205 1 68 THR MG 1 73 TYR HD1 2.000 . 6.000 3.127 2.919 3.406 . 0 0 "[ . 1 . 2]" 2
206 1 71 LEU HB3 1 71 LEU HG 2.000 . 2.700 2.946 2.944 2.947 0.247 16 0 "[ . 1 . 2]" 2
207 1 71 LEU HB3 1 71 LEU MD1 2.000 . 4.200 2.645 2.606 2.703 . 0 0 "[ . 1 . 2]" 2
208 1 71 LEU HB3 1 71 LEU MD2 2.000 . 5.000 2.069 2.029 2.087 . 0 0 "[ . 1 . 2]" 2
209 1 71 LEU HB2 1 71 LEU MD1 2.000 . 5.000 2.115 1.987 2.206 . 0 0 "[ . 1 . 2]" 2
210 1 71 LEU HB2 1 71 LEU MD2 2.000 . 4.700 3.095 3.092 3.098 . 0 0 "[ . 1 . 2]" 2
211 1 71 LEU MD2 1 73 TYR HE2 2.000 . 5.000 2.236 2.130 2.364 . 0 0 "[ . 1 . 2]" 2
212 1 71 LEU MD2 1 73 TYR HE1 2.000 . 6.500 3.364 3.219 3.563 . 0 0 "[ . 1 . 2]" 2
213 1 73 TYR HB3 1 75 TYR HE1 2.000 . 5.000 2.201 2.151 2.278 . 0 0 "[ . 1 . 2]" 2
214 1 73 TYR HB3 1 75 TYR HE2 2.000 . 4.500 4.524 4.499 4.540 0.040 19 0 "[ . 1 . 2]" 2
215 1 73 TYR HB2 1 75 TYR HE2 2.000 . 4.000 3.431 3.407 3.447 . 0 0 "[ . 1 . 2]" 2
216 1 76 LEU HB3 1 76 LEU MD1 2.000 . 5.000 3.157 3.145 3.170 . 0 0 "[ . 1 . 2]" 2
217 1 76 LEU HB3 1 76 LEU MD2 2.000 . 4.200 2.056 2.032 2.078 . 0 0 "[ . 1 . 2]" 2
218 1 76 LEU HB2 1 76 LEU MD1 2.000 . 4.200 2.228 2.141 2.304 . 0 0 "[ . 1 . 2]" 2
219 1 76 LEU HB2 1 76 LEU MD2 2.000 . 4.700 2.470 2.447 2.492 . 0 0 "[ . 1 . 2]" 2
220 1 77 ILE HB 1 77 ILE MG 2.000 . 4.200 2.132 2.119 2.157 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 54
_Distance_constraint_stats_list.Viol_count 171
_Distance_constraint_stats_list.Viol_total 315.918
_Distance_constraint_stats_list.Viol_max 0.241
_Distance_constraint_stats_list.Viol_rms 0.0474
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0146
_Distance_constraint_stats_list.Viol_average_violations_only 0.0924
_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 10 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ALA 9.053 0.241 13 0 "[ . 1 . 2]"
1 21 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 VAL 0.197 0.037 14 0 "[ . 1 . 2]"
1 25 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ARG 0.197 0.037 14 0 "[ . 1 . 2]"
1 29 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLU 4.979 0.203 5 0 "[ . 1 . 2]"
1 38 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LEU 0.281 0.024 12 0 "[ . 1 . 2]"
1 40 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ILE 0.225 0.056 17 0 "[ . 1 . 2]"
1 43 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ASP 8.828 0.241 13 0 "[ . 1 . 2]"
1 48 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ALA 1.049 0.068 5 0 "[ . 1 . 2]"
1 67 GLU 0.238 0.018 1 0 "[ . 1 . 2]"
1 73 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ARG 0.238 0.018 1 0 "[ . 1 . 2]"
1 75 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LEU 1.049 0.068 5 0 "[ . 1 . 2]"
1 77 ILE 0.281 0.024 12 0 "[ . 1 . 2]"
1 79 LYS 4.979 0.203 5 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 10 HIS N 1 38 THR O 3.300 2.500 3.500 2.986 2.904 3.052 . 0 0 "[ . 1 . 2]" 3
2 1 10 HIS H 1 38 THR O 2.300 . 2.500 2.316 2.219 2.397 . 0 0 "[ . 1 . 2]" 3
3 1 12 LEU N 1 40 LEU O 3.300 2.500 3.500 2.728 2.683 2.772 . 0 0 "[ . 1 . 2]" 3
4 1 12 LEU H 1 40 LEU O 2.300 . 2.500 2.091 2.073 2.125 . 0 0 "[ . 1 . 2]" 3
5 1 14 ALA N 1 42 ILE O 3.300 2.500 3.500 2.774 2.662 2.839 . 0 0 "[ . 1 . 2]" 3
6 1 14 ALA H 1 42 ILE O 2.300 . 2.500 2.460 2.333 2.556 0.056 17 0 "[ . 1 . 2]" 3
7 1 10 HIS O 1 40 LEU N 3.300 2.500 3.500 2.927 2.890 2.950 . 0 0 "[ . 1 . 2]" 3
8 1 10 HIS O 1 40 LEU H 2.300 . 2.500 1.996 1.970 2.018 . 0 0 "[ . 1 . 2]" 3
9 1 12 LEU O 1 42 ILE N 3.300 2.500 3.500 2.859 2.803 2.885 . 0 0 "[ . 1 . 2]" 3
10 1 12 LEU O 1 42 ILE H 2.300 . 2.500 1.964 1.886 2.028 . 0 0 "[ . 1 . 2]" 3
11 1 14 ALA O 1 44 ASP N 3.300 2.500 3.500 3.215 3.139 3.288 . 0 0 "[ . 1 . 2]" 3
12 1 14 ALA O 1 44 ASP H 2.300 . 2.500 2.302 2.212 2.386 . 0 0 "[ . 1 . 2]" 3
13 1 14 ALA O 1 45 ASP N 3.300 2.500 3.500 3.718 3.704 3.738 0.238 13 0 "[ . 1 . 2]" 3
14 1 14 ALA O 1 45 ASP H 2.300 . 2.500 2.723 2.707 2.741 0.241 13 0 "[ . 1 . 2]" 3
15 1 37 GLU N 1 79 LYS O 3.300 2.500 3.500 3.595 3.534 3.624 0.124 5 0 "[ . 1 . 2]" 3
16 1 37 GLU H 1 79 LYS O 2.300 . 2.500 2.641 2.559 2.703 0.203 5 0 "[ . 1 . 2]" 3
17 1 39 LEU N 1 77 ILE O 3.300 2.500 3.500 3.161 3.127 3.205 . 0 0 "[ . 1 . 2]" 3
18 1 39 LEU H 1 77 ILE O 2.300 . 2.500 2.507 2.357 2.524 0.024 12 0 "[ . 1 . 2]" 3
19 1 41 ILE N 1 75 TYR O 3.300 2.500 3.500 3.087 3.033 3.142 . 0 0 "[ . 1 . 2]" 3
20 1 41 ILE H 1 75 TYR O 2.300 . 2.500 2.407 2.326 2.498 . 0 0 "[ . 1 . 2]" 3
21 1 43 ALA N 1 73 TYR O 3.300 2.500 3.500 2.838 2.749 2.899 . 0 0 "[ . 1 . 2]" 3
22 1 43 ALA H 1 73 TYR O 2.300 . 2.500 2.050 2.015 2.079 . 0 0 "[ . 1 . 2]" 3
23 1 43 ALA O 1 73 TYR N 3.300 2.500 3.500 2.768 2.735 2.792 . 0 0 "[ . 1 . 2]" 3
24 1 43 ALA O 1 73 TYR H 2.300 . 2.500 1.998 1.973 2.022 . 0 0 "[ . 1 . 2]" 3
25 1 41 ILE O 1 75 TYR N 3.300 2.500 3.500 2.910 2.865 2.959 . 0 0 "[ . 1 . 2]" 3
26 1 41 ILE O 1 75 TYR H 2.300 . 2.500 2.056 2.036 2.082 . 0 0 "[ . 1 . 2]" 3
27 1 39 LEU O 1 77 ILE N 3.300 2.500 3.500 2.885 2.847 2.940 . 0 0 "[ . 1 . 2]" 3
28 1 39 LEU O 1 77 ILE H 2.300 . 2.500 2.080 2.054 2.104 . 0 0 "[ . 1 . 2]" 3
29 1 37 GLU O 1 79 LYS N 3.300 2.500 3.500 3.057 2.909 3.104 . 0 0 "[ . 1 . 2]" 3
30 1 37 GLU O 1 79 LYS H 2.300 . 2.500 2.495 2.397 2.543 0.043 9 0 "[ . 1 . 2]" 3
31 1 67 GLU O 1 74 ARG N 3.300 2.500 3.500 3.014 2.990 3.032 . 0 0 "[ . 1 . 2]" 3
32 1 67 GLU O 1 74 ARG H 2.300 . 2.500 2.090 2.073 2.104 . 0 0 "[ . 1 . 2]" 3
33 1 65 ALA O 1 76 LEU N 3.300 2.500 3.500 2.633 2.614 2.653 . 0 0 "[ . 1 . 2]" 3
34 1 65 ALA O 1 76 LEU H 2.300 . 2.500 1.708 1.692 1.728 . 0 0 "[ . 1 . 2]" 3
35 1 65 ALA N 1 76 LEU O 3.300 2.500 3.500 3.453 3.429 3.472 . 0 0 "[ . 1 . 2]" 3
36 1 65 ALA H 1 76 LEU O 2.300 . 2.500 2.552 2.533 2.568 0.068 5 0 "[ . 1 . 2]" 3
37 1 67 GLU N 1 74 ARG O 3.300 2.500 3.500 2.492 2.482 2.568 0.018 1 0 "[ . 1 . 2]" 3
38 1 67 GLU H 1 74 ARG O 2.300 . 2.500 1.894 1.818 1.910 . 0 0 "[ . 1 . 2]" 3
39 1 64 VAL N 1 76 LEU O 3.300 2.500 3.500 2.713 2.674 2.761 . 0 0 "[ . 1 . 2]" 3
40 1 64 VAL H 1 76 LEU O 2.300 . 2.500 2.055 2.040 2.069 . 0 0 "[ . 1 . 2]" 3
41 1 21 GLU O 1 25 MET N 3.300 2.500 3.500 2.954 2.889 3.059 . 0 0 "[ . 1 . 2]" 3
42 1 21 GLU O 1 25 MET H 2.300 . 2.500 2.110 2.063 2.199 . 0 0 "[ . 1 . 2]" 3
43 1 22 PRO O 1 26 VAL N 3.300 2.500 3.500 3.166 3.101 3.253 . 0 0 "[ . 1 . 2]" 3
44 1 22 PRO O 1 26 VAL H 2.300 . 2.500 2.214 2.146 2.302 . 0 0 "[ . 1 . 2]" 3
45 1 23 VAL O 1 27 ARG N 3.300 2.500 3.500 3.261 3.186 3.309 . 0 0 "[ . 1 . 2]" 3
46 1 23 VAL O 1 27 ARG H 2.300 . 2.500 2.499 2.446 2.537 0.037 14 0 "[ . 1 . 2]" 3
47 1 25 MET O 1 29 THR N 3.300 2.500 3.500 2.938 2.890 2.989 . 0 0 "[ . 1 . 2]" 3
48 1 25 MET O 1 29 THR H 2.300 . 2.500 2.007 1.978 2.046 . 0 0 "[ . 1 . 2]" 3
49 1 26 VAL O 1 30 VAL N 3.300 2.500 3.500 2.613 2.569 2.645 . 0 0 "[ . 1 . 2]" 3
50 1 26 VAL O 1 30 VAL H 2.300 . 2.500 1.889 1.819 1.922 . 0 0 "[ . 1 . 2]" 3
51 1 48 THR O 1 52 ILE N 3.300 2.500 3.500 2.841 2.814 2.867 . 0 0 "[ . 1 . 2]" 3
52 1 48 THR O 1 52 ILE H 2.300 . 2.500 2.088 2.074 2.105 . 0 0 "[ . 1 . 2]" 3
53 1 51 ASP O 1 55 PHE N 3.300 2.500 3.500 2.839 2.806 2.879 . 0 0 "[ . 1 . 2]" 3
54 1 51 ASP O 1 55 PHE H 2.300 . 2.500 2.080 2.063 2.092 . 0 0 "[ . 1 . 2]" 3
stop_
save_
Contact the webmaster for help, if required. Thursday, May 9, 2024 11:57:10 PM GMT (wattos1)