NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
520805 |
2lgk   |
17812 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lgk
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 788
_Distance_constraint_stats_list.Viol_count 1743
_Distance_constraint_stats_list.Viol_total 5516.903
_Distance_constraint_stats_list.Viol_max 14.223
_Distance_constraint_stats_list.Viol_rms 0.3236
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0175
_Distance_constraint_stats_list.Viol_average_violations_only 0.1583
_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 1 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 PRO 0.200 0.065 19 0 "[ . 1 . 2]"
1 4 SER 0.656 0.054 14 0 "[ . 1 . 2]"
1 5 CYS 0.821 0.065 19 0 "[ . 1 . 2]"
1 6 LYS 1.487 0.131 8 0 "[ . 1 . 2]"
1 7 HIS 2.828 0.135 6 0 "[ . 1 . 2]"
1 8 CYS 2.994 0.135 6 0 "[ . 1 . 2]"
1 9 LYS 1.752 0.078 10 0 "[ . 1 . 2]"
1 10 ASP 4.591 0.125 12 0 "[ . 1 . 2]"
1 11 ASP 2.547 0.106 7 0 "[ . 1 . 2]"
1 12 VAL 11.977 2.501 14 4 "[ - . 1 * +* 2]"
1 13 ASN 4.040 0.193 1 0 "[ . 1 . 2]"
1 14 ARG 2.318 0.106 7 0 "[ . 1 . 2]"
1 15 LEU 1.371 0.124 6 0 "[ . 1 . 2]"
1 16 CYS 2.063 0.089 11 0 "[ . 1 . 2]"
1 17 ARG 0.491 0.054 5 0 "[ . 1 . 2]"
1 18 VAL 0.684 0.068 12 0 "[ . 1 . 2]"
1 19 CYS 0.147 0.054 19 0 "[ . 1 . 2]"
1 20 ALA 0.805 0.076 14 0 "[ . 1 . 2]"
1 21 CYS 0.319 0.062 19 0 "[ . 1 . 2]"
1 22 HIS 0.902 0.079 6 0 "[ . 1 . 2]"
1 23 LEU 2.585 0.110 19 0 "[ . 1 . 2]"
1 24 CYS 0.948 0.068 17 0 "[ . 1 . 2]"
1 25 GLY 1.913 0.110 19 0 "[ . 1 . 2]"
1 26 GLY 0.399 0.046 5 0 "[ . 1 . 2]"
1 27 ARG 8.745 2.501 14 4 "[ - . 1 * +* 2]"
1 28 GLN 2.196 0.195 19 0 "[ . 1 . 2]"
1 29 ASP 1.583 0.196 6 0 "[ . 1 . 2]"
1 30 PRO 1.961 0.196 6 0 "[ . 1 . 2]"
1 31 ASP 1.962 0.101 15 0 "[ . 1 . 2]"
1 32 LYS 1.236 0.094 15 0 "[ . 1 . 2]"
1 33 GLN 175.609 14.223 4 20 [***+***************-]
1 34 LEU 4.062 0.229 11 0 "[ . 1 . 2]"
1 35 MET 0.692 0.177 11 0 "[ . 1 . 2]"
1 36 CYS 5.326 0.303 10 0 "[ . 1 . 2]"
1 37 ASP 1.759 0.103 7 0 "[ . 1 . 2]"
1 38 GLU 2.248 0.111 4 0 "[ . 1 . 2]"
1 39 CYS 2.300 0.088 16 0 "[ . 1 . 2]"
1 40 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 MET 7.159 0.303 10 0 "[ . 1 . 2]"
1 42 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 PHE 8.403 0.229 11 0 "[ . 1 . 2]"
1 44 HIS 2.568 0.185 17 0 "[ . 1 . 2]"
1 45 ILE 3.106 0.134 3 0 "[ . 1 . 2]"
1 46 TYR 1.835 0.090 10 0 "[ . 1 . 2]"
1 47 CYS 0.912 0.129 17 0 "[ . 1 . 2]"
1 48 LEU 3.791 0.132 16 0 "[ . 1 . 2]"
1 49 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 PRO 0.013 0.004 16 0 "[ . 1 . 2]"
1 51 PRO 3.384 0.094 9 0 "[ . 1 . 2]"
1 52 LEU 3.780 0.094 9 0 "[ . 1 . 2]"
1 53 SER 0.644 0.046 5 0 "[ . 1 . 2]"
1 54 SER 2.312 0.086 16 0 "[ . 1 . 2]"
1 55 VAL 2.129 0.083 10 0 "[ . 1 . 2]"
1 56 PRO 0.527 0.032 13 0 "[ . 1 . 2]"
1 57 SER 1.672 0.090 13 0 "[ . 1 . 2]"
1 58 GLU 0.800 0.048 12 0 "[ . 1 . 2]"
1 59 ASP 1.811 0.072 9 0 "[ . 1 . 2]"
1 60 GLU 0.567 0.080 5 0 "[ . 1 . 2]"
1 61 TRP 0.579 0.055 8 0 "[ . 1 . 2]"
1 62 TYR 2.112 0.090 11 0 "[ . 1 . 2]"
1 63 CYS 2.107 0.100 3 0 "[ . 1 . 2]"
1 64 PRO 1.009 0.092 8 0 "[ . 1 . 2]"
1 65 GLU 4.125 0.239 14 0 "[ . 1 . 2]"
1 66 CYS 6.300 0.239 14 0 "[ . 1 . 2]"
1 67 ARG 5.479 0.225 12 0 "[ . 1 . 2]"
1 68 ASN 0.603 0.040 9 0 "[ . 1 . 2]"
1 69 ASP 1.228 0.107 16 0 "[ . 1 . 2]"
2 10 SER 0.075 0.037 13 0 "[ . 1 . 2]"
2 11 THR 173.451 14.223 4 20 [***+***************-]
2 12 GLY 0.104 0.053 13 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 1 SER HA 1 2 GLY H 1.800 . 2.900 2.388 2.186 2.820 . 0 0 "[ . 1 . 2]" 1
2 1 1 SER QB 1 2 GLY H 1.800 . 6.000 3.227 2.006 4.041 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLY H 1 3 PRO QD 1.800 . 6.000 3.534 2.207 4.386 . 0 0 "[ . 1 . 2]" 1
4 1 2 GLY QA 1 3 PRO QD 1.800 . 2.900 2.101 2.012 2.266 . 0 0 "[ . 1 . 2]" 1
5 1 3 PRO HA 1 3 PRO QD 1.800 . 3.500 3.300 3.238 3.394 . 0 0 "[ . 1 . 2]" 1
6 1 3 PRO HA 1 3 PRO QG 1.800 . 3.500 3.363 2.963 3.505 0.005 12 0 "[ . 1 . 2]" 1
7 1 3 PRO HA 1 4 SER H 1.800 . 3.500 2.455 2.214 3.519 0.019 13 0 "[ . 1 . 2]" 1
8 1 3 PRO QB 1 3 PRO QD 1.800 . 3.500 2.834 2.775 2.875 . 0 0 "[ . 1 . 2]" 1
9 1 3 PRO QB 1 4 SER H 1.800 . 6.000 3.101 2.974 3.313 . 0 0 "[ . 1 . 2]" 1
10 1 3 PRO QB 1 5 CYS H 1.800 . 6.000 3.091 2.423 4.857 . 0 0 "[ . 1 . 2]" 1
11 1 3 PRO QG 1 4 SER H 1.800 . 6.000 4.357 2.685 4.752 . 0 0 "[ . 1 . 2]" 1
12 1 3 PRO QG 1 5 CYS H 1.800 . 5.000 4.517 3.973 5.065 0.065 19 0 "[ . 1 . 2]" 1
13 1 4 SER H 1 4 SER QB 1.800 . 3.500 2.486 2.266 2.578 . 0 0 "[ . 1 . 2]" 1
14 1 4 SER H 1 5 CYS H 1.800 . 6.000 2.779 2.621 4.434 . 0 0 "[ . 1 . 2]" 1
15 1 4 SER HA 1 5 CYS H 1.800 . 3.500 3.453 2.194 3.536 0.036 4 0 "[ . 1 . 2]" 1
16 1 4 SER QB 1 5 CYS H 1.800 . 3.500 2.982 2.634 3.554 0.054 14 0 "[ . 1 . 2]" 1
17 1 4 SER QB 1 5 CYS QB 1.800 . 5.000 3.742 3.299 4.884 . 0 0 "[ . 1 . 2]" 1
18 1 5 CYS H 1 5 CYS HB2 1.800 . 3.500 3.069 2.479 3.512 0.012 10 0 "[ . 1 . 2]" 1
19 1 5 CYS H 1 6 LYS H 1.800 . 6.000 4.218 4.073 4.393 . 0 0 "[ . 1 . 2]" 1
20 1 5 CYS HA 1 6 LYS H 1.800 . 2.900 2.199 2.184 2.244 . 0 0 "[ . 1 . 2]" 1
21 1 5 CYS HA 1 7 HIS H 1.800 . 6.000 3.473 3.348 3.739 . 0 0 "[ . 1 . 2]" 1
22 1 5 CYS QB 1 6 LYS H 1.800 . 6.000 3.840 3.061 3.918 . 0 0 "[ . 1 . 2]" 1
23 1 5 CYS QB 1 8 CYS H 1.800 . 6.000 3.647 2.951 4.316 . 0 0 "[ . 1 . 2]" 1
24 1 5 CYS QB 1 9 LYS H 1.800 . 6.000 4.921 3.686 6.009 0.009 6 0 "[ . 1 . 2]" 1
25 1 5 CYS QB 1 19 CYS QB 1.800 . 6.000 3.056 2.009 4.549 . 0 0 "[ . 1 . 2]" 1
26 1 6 LYS H 1 6 LYS HA 1.800 . 2.900 2.953 2.878 2.981 0.081 9 0 "[ . 1 . 2]" 1
27 1 6 LYS H 1 6 LYS HB2 1.800 . 3.500 2.468 2.438 2.520 . 0 0 "[ . 1 . 2]" 1
28 1 6 LYS H 1 6 LYS QE 1.800 . 6.000 4.678 4.325 5.130 . 0 0 "[ . 1 . 2]" 1
29 1 6 LYS H 1 6 LYS QG 1.800 . 3.500 2.481 2.219 2.689 . 0 0 "[ . 1 . 2]" 1
30 1 6 LYS H 1 7 HIS QB 1.800 . 6.000 4.664 4.505 4.957 . 0 0 "[ . 1 . 2]" 1
31 1 6 LYS H 1 7 HIS HD1 1.800 . 6.000 3.180 2.772 4.341 . 0 0 "[ . 1 . 2]" 1
32 1 6 LYS H 1 8 CYS H 1.800 . 6.000 4.305 4.016 4.654 . 0 0 "[ . 1 . 2]" 1
33 1 6 LYS HA 1 6 LYS HG2 1.800 . 3.500 2.426 2.401 2.442 . 0 0 "[ . 1 . 2]" 1
34 1 6 LYS HA 1 6 LYS QG 1.800 . 3.500 2.339 2.317 2.353 . 0 0 "[ . 1 . 2]" 1
35 1 6 LYS HA 1 6 LYS HG3 1.800 . 3.500 3.071 3.045 3.082 . 0 0 "[ . 1 . 2]" 1
36 1 6 LYS HA 1 7 HIS H 1.800 . 3.500 3.366 3.254 3.525 0.025 4 0 "[ . 1 . 2]" 1
37 1 6 LYS HB2 1 7 HIS H 1.800 . 3.500 3.345 2.886 3.631 0.131 8 0 "[ . 1 . 2]" 1
38 1 6 LYS HB2 1 7 HIS HA 1.800 . 6.000 4.460 4.392 4.563 . 0 0 "[ . 1 . 2]" 1
39 1 6 LYS HB3 1 7 HIS H 1.800 . 6.000 4.161 3.829 4.322 . 0 0 "[ . 1 . 2]" 1
40 1 6 LYS HB3 1 7 HIS HA 1.800 . 6.000 4.636 4.429 4.732 . 0 0 "[ . 1 . 2]" 1
41 1 6 LYS QE 1 6 LYS HG2 1.800 . 3.500 2.425 2.352 2.828 . 0 0 "[ . 1 . 2]" 1
42 1 6 LYS QE 1 6 LYS HG3 1.800 . 3.500 2.415 2.251 2.804 . 0 0 "[ . 1 . 2]" 1
43 1 6 LYS QG 1 7 HIS H 1.800 . 6.000 4.249 4.144 4.341 . 0 0 "[ . 1 . 2]" 1
44 1 7 HIS H 1 7 HIS HA 1.800 . 2.900 2.910 2.894 2.966 0.066 1 0 "[ . 1 . 2]" 1
45 1 7 HIS H 1 7 HIS QB 1.800 . 2.900 2.673 2.605 2.771 . 0 0 "[ . 1 . 2]" 1
46 1 7 HIS H 1 7 HIS HD1 1.800 . 6.000 2.142 1.791 2.977 0.009 6 0 "[ . 1 . 2]" 1
47 1 7 HIS H 1 8 CYS H 1.800 . 2.900 2.486 2.214 2.621 . 0 0 "[ . 1 . 2]" 1
48 1 7 HIS H 1 8 CYS HA 1.800 . 6.000 5.155 4.964 5.272 . 0 0 "[ . 1 . 2]" 1
49 1 7 HIS H 1 9 LYS H 1.800 . 6.000 4.107 3.595 4.531 . 0 0 "[ . 1 . 2]" 1
50 1 7 HIS H 1 18 VAL QG 1.800 . 6.000 4.190 3.684 4.567 . 0 0 "[ . 1 . 2]" 1
51 1 7 HIS HA 1 7 HIS HD1 1.800 . 6.000 4.272 4.026 4.641 . 0 0 "[ . 1 . 2]" 1
52 1 7 HIS HA 1 8 CYS H 1.800 . 3.500 3.525 3.498 3.556 0.056 14 0 "[ . 1 . 2]" 1
53 1 7 HIS HA 1 8 CYS HA 1.800 . 6.000 4.755 4.540 4.846 . 0 0 "[ . 1 . 2]" 1
54 1 7 HIS HA 1 9 LYS H 1.800 . 6.000 4.286 3.820 4.832 . 0 0 "[ . 1 . 2]" 1
55 1 7 HIS HA 1 18 VAL QG 1.800 . 6.000 5.458 4.704 5.918 . 0 0 "[ . 1 . 2]" 1
56 1 7 HIS QB 1 7 HIS HD1 1.800 . 3.500 2.545 2.424 2.625 . 0 0 "[ . 1 . 2]" 1
57 1 7 HIS QB 1 8 CYS H 1.800 . 3.500 2.720 2.554 2.881 . 0 0 "[ . 1 . 2]" 1
58 1 7 HIS QB 1 18 VAL HB 1.800 . 6.000 3.958 3.266 4.785 . 0 0 "[ . 1 . 2]" 1
59 1 7 HIS QB 1 18 VAL MG1 1.800 . 6.000 4.392 3.718 4.988 . 0 0 "[ . 1 . 2]" 1
60 1 7 HIS QB 1 18 VAL QG 1.800 . 3.500 3.303 2.625 3.568 0.068 12 0 "[ . 1 . 2]" 1
61 1 7 HIS QB 1 18 VAL MG2 1.800 . 6.000 3.420 2.684 3.694 . 0 0 "[ . 1 . 2]" 1
62 1 7 HIS HD1 1 8 CYS HA 1.800 . 6.000 6.071 6.037 6.135 0.135 6 0 "[ . 1 . 2]" 1
63 1 7 HIS HD1 1 18 VAL HB 1.800 . 6.000 3.498 2.782 3.976 . 0 0 "[ . 1 . 2]" 1
64 1 7 HIS HD1 1 18 VAL MG1 1.800 . 3.500 2.985 2.175 3.532 0.032 12 0 "[ . 1 . 2]" 1
65 1 7 HIS HD1 1 18 VAL MG2 1.800 . 3.500 3.065 2.141 3.502 0.002 15 0 "[ . 1 . 2]" 1
66 1 8 CYS H 1 8 CYS HA 1.800 . 2.900 2.882 2.835 2.985 0.085 20 0 "[ . 1 . 2]" 1
67 1 8 CYS H 1 9 LYS H 1.800 . 3.500 2.623 2.107 2.856 . 0 0 "[ . 1 . 2]" 1
68 1 8 CYS H 1 10 ASP H 1.800 . 6.000 4.372 4.051 5.000 . 0 0 "[ . 1 . 2]" 1
69 1 8 CYS HA 1 9 LYS H 1.800 . 3.500 3.464 3.103 3.578 0.078 10 0 "[ . 1 . 2]" 1
70 1 8 CYS HA 1 10 ASP H 1.800 . 6.000 4.165 3.610 4.508 . 0 0 "[ . 1 . 2]" 1
71 1 8 CYS HA 1 11 ASP H 1.800 . 6.000 3.314 2.995 3.636 . 0 0 "[ . 1 . 2]" 1
72 1 8 CYS QB 1 9 LYS H 1.800 . 6.000 3.035 2.389 3.988 . 0 0 "[ . 1 . 2]" 1
73 1 9 LYS H 1 9 LYS HA 1.800 . 2.900 2.834 2.820 2.849 . 0 0 "[ . 1 . 2]" 1
74 1 9 LYS H 1 9 LYS QB 1.800 . 3.500 2.323 2.266 2.484 . 0 0 "[ . 1 . 2]" 1
75 1 9 LYS H 1 9 LYS QD 1.800 . 6.000 4.279 3.840 4.434 . 0 0 "[ . 1 . 2]" 1
76 1 9 LYS H 1 9 LYS QE 1.800 . 6.000 5.476 3.504 6.023 0.023 14 0 "[ . 1 . 2]" 1
77 1 9 LYS H 1 9 LYS HG2 1.800 . 6.000 4.204 3.214 4.673 . 0 0 "[ . 1 . 2]" 1
78 1 9 LYS H 1 9 LYS HG3 1.800 . 6.000 3.858 2.108 4.479 . 0 0 "[ . 1 . 2]" 1
79 1 9 LYS H 1 10 ASP H 1.800 . 5.000 2.761 2.706 2.815 . 0 0 "[ . 1 . 2]" 1
80 1 9 LYS H 1 11 ASP H 1.800 . 6.000 4.215 4.031 4.375 . 0 0 "[ . 1 . 2]" 1
81 1 9 LYS HA 1 9 LYS QD 1.800 . 6.000 3.880 2.213 3.997 . 0 0 "[ . 1 . 2]" 1
82 1 9 LYS HA 1 10 ASP H 1.800 . 3.500 3.550 3.539 3.565 0.065 1 0 "[ . 1 . 2]" 1
83 1 9 LYS HA 1 10 ASP HA 1.800 . 6.000 4.821 4.788 4.862 . 0 0 "[ . 1 . 2]" 1
84 1 9 LYS HA 1 11 ASP H 1.800 . 6.000 4.289 4.105 4.442 . 0 0 "[ . 1 . 2]" 1
85 1 9 LYS HB2 1 10 ASP H 1.800 . 6.000 3.547 2.638 3.912 . 0 0 "[ . 1 . 2]" 1
86 1 9 LYS HB3 1 10 ASP H 1.800 . 6.000 2.851 2.439 3.718 . 0 0 "[ . 1 . 2]" 1
87 1 9 LYS QD 1 10 ASP H 1.800 . 6.000 4.603 4.321 5.304 . 0 0 "[ . 1 . 2]" 1
88 1 9 LYS QG 1 10 ASP H 1.800 . 6.000 3.769 3.583 4.057 . 0 0 "[ . 1 . 2]" 1
89 1 10 ASP H 1 10 ASP HA 1.800 . 2.900 2.846 2.826 2.862 . 0 0 "[ . 1 . 2]" 1
90 1 10 ASP H 1 10 ASP HB2 1.800 . 3.500 2.507 2.439 3.610 0.110 11 0 "[ . 1 . 2]" 1
91 1 10 ASP H 1 10 ASP HB3 1.800 . 3.500 3.409 2.590 3.602 0.102 6 0 "[ . 1 . 2]" 1
92 1 10 ASP H 1 11 ASP H 1.800 . 2.900 2.701 2.605 2.778 . 0 0 "[ . 1 . 2]" 1
93 1 10 ASP HA 1 11 ASP H 1.800 . 3.500 3.541 3.521 3.559 0.059 17 0 "[ . 1 . 2]" 1
94 1 10 ASP HA 1 13 ASN QD 1.800 . 6.000 5.977 4.537 6.125 0.125 12 0 "[ . 1 . 2]" 1
95 1 10 ASP HB2 1 11 ASP H 1.800 . 6.000 2.905 2.612 3.884 . 0 0 "[ . 1 . 2]" 1
96 1 10 ASP HB3 1 11 ASP H 1.800 . 6.000 3.506 2.531 4.060 . 0 0 "[ . 1 . 2]" 1
97 1 11 ASP H 1 11 ASP HA 1.800 . 2.900 2.964 2.928 2.987 0.087 14 0 "[ . 1 . 2]" 1
98 1 11 ASP H 1 12 VAL H 1.800 . 6.000 3.222 2.801 3.559 . 0 0 "[ . 1 . 2]" 1
99 1 11 ASP H 1 12 VAL HA 1.800 . 6.000 4.312 4.105 4.620 . 0 0 "[ . 1 . 2]" 1
100 1 11 ASP H 1 13 ASN QD 1.800 . 6.000 4.906 4.388 5.260 . 0 0 "[ . 1 . 2]" 1
101 1 11 ASP H 1 14 ARG H 1.800 . 6.000 5.245 5.009 5.437 . 0 0 "[ . 1 . 2]" 1
102 1 11 ASP H 1 14 ARG QB 1.800 . 6.000 5.055 4.421 5.397 . 0 0 "[ . 1 . 2]" 1
103 1 11 ASP H 1 14 ARG QG 1.800 . 6.000 5.922 5.570 6.106 0.106 7 0 "[ . 1 . 2]" 1
104 1 11 ASP HA 1 12 VAL H 1.800 . 3.500 2.521 2.373 2.993 . 0 0 "[ . 1 . 2]" 1
105 1 11 ASP HA 1 12 VAL QG 1.800 . 6.000 3.955 3.450 4.285 . 0 0 "[ . 1 . 2]" 1
106 1 11 ASP QB 1 14 ARG H 1.800 . 6.000 2.823 2.581 3.218 . 0 0 "[ . 1 . 2]" 1
107 1 11 ASP QB 1 14 ARG HB2 1.800 . 6.000 2.360 2.173 3.224 . 0 0 "[ . 1 . 2]" 1
108 1 11 ASP QB 1 14 ARG QB 1.800 . 3.500 2.304 1.875 3.160 . 0 0 "[ . 1 . 2]" 1
109 1 11 ASP QB 1 14 ARG HB3 1.800 . 6.000 3.609 2.018 4.545 . 0 0 "[ . 1 . 2]" 1
110 1 11 ASP QB 1 14 ARG QD 1.800 . 6.000 2.660 2.170 3.951 . 0 0 "[ . 1 . 2]" 1
111 1 11 ASP QB 1 14 ARG QG 1.800 . 3.500 2.511 2.233 3.565 0.065 7 0 "[ . 1 . 2]" 1
112 1 11 ASP QB 1 14 ARG HG3 1.800 . 6.000 2.612 2.248 4.263 . 0 0 "[ . 1 . 2]" 1
113 1 11 ASP HB2 1 12 VAL H 1.800 . 6.000 4.421 4.059 4.516 . 0 0 "[ . 1 . 2]" 1
114 1 11 ASP HB2 1 14 ARG HG2 1.800 . 6.000 4.885 3.812 6.011 0.011 1 0 "[ . 1 . 2]" 1
115 1 11 ASP HB3 1 12 VAL H 1.800 . 6.000 4.394 4.160 4.691 . 0 0 "[ . 1 . 2]" 1
116 1 11 ASP HB3 1 14 ARG HG2 1.800 . 6.000 4.401 3.815 5.720 . 0 0 "[ . 1 . 2]" 1
117 1 12 VAL H 1 12 VAL HA 1.800 . 2.900 2.856 2.814 2.878 . 0 0 "[ . 1 . 2]" 1
118 1 12 VAL H 1 12 VAL HB 1.800 . 3.500 2.744 2.286 3.610 0.110 18 0 "[ . 1 . 2]" 1
119 1 12 VAL H 1 12 VAL MG1 1.800 . 3.500 2.949 1.899 3.736 0.236 7 0 "[ . 1 . 2]" 1
120 1 12 VAL H 1 12 VAL MG2 1.800 . 3.500 2.499 2.019 3.696 0.196 11 0 "[ . 1 . 2]" 1
121 1 12 VAL H 1 13 ASN H 1.800 . 2.900 2.573 2.503 2.683 . 0 0 "[ . 1 . 2]" 1
122 1 12 VAL H 1 13 ASN HB2 1.800 . 6.000 5.383 5.031 6.193 0.193 1 0 "[ . 1 . 2]" 1
123 1 12 VAL H 1 13 ASN HB3 1.800 . 6.000 5.894 4.875 6.114 0.114 5 0 "[ . 1 . 2]" 1
124 1 12 VAL HA 1 12 VAL MG1 1.800 . 3.500 2.538 2.332 3.173 . 0 0 "[ . 1 . 2]" 1
125 1 12 VAL HA 1 12 VAL MG2 1.800 . 3.500 2.523 2.191 3.196 . 0 0 "[ . 1 . 2]" 1
126 1 12 VAL HA 1 13 ASN H 1.800 . 3.500 3.486 3.442 3.512 0.012 14 0 "[ . 1 . 2]" 1
127 1 12 VAL HA 1 14 ARG H 1.800 . 6.000 3.862 3.477 4.025 . 0 0 "[ . 1 . 2]" 1
128 1 12 VAL HA 1 27 ARG QH2 1.800 . 6.000 5.387 3.423 8.501 2.501 14 4 "[ - . 1 * +* 2]" 1
129 1 12 VAL HB 1 13 ASN H 1.800 . 6.000 3.351 2.698 4.092 . 0 0 "[ . 1 . 2]" 1
130 1 12 VAL HB 1 14 ARG H 1.800 . 6.000 5.196 4.823 5.602 . 0 0 "[ . 1 . 2]" 1
131 1 12 VAL QG 1 13 ASN H 1.800 . 3.500 2.677 1.888 3.300 . 0 0 "[ . 1 . 2]" 1
132 1 12 VAL QG 1 13 ASN HB2 1.800 . 6.000 4.730 4.137 5.213 . 0 0 "[ . 1 . 2]" 1
133 1 12 VAL QG 1 13 ASN QB 1.800 . 6.000 4.075 3.127 4.595 . 0 0 "[ . 1 . 2]" 1
134 1 12 VAL QG 1 13 ASN HB3 1.800 . 6.000 4.486 3.211 5.150 . 0 0 "[ . 1 . 2]" 1
135 1 12 VAL MG1 1 13 ASN HD21 1.800 . 6.000 4.581 2.424 5.292 . 0 0 "[ . 1 . 2]" 1
136 1 12 VAL MG1 1 13 ASN HD22 1.800 . 6.000 4.571 2.838 6.022 0.022 13 0 "[ . 1 . 2]" 1
137 1 12 VAL MG2 1 13 ASN HD21 1.800 . 6.000 4.541 2.897 5.669 . 0 0 "[ . 1 . 2]" 1
138 1 12 VAL MG2 1 13 ASN HD22 1.800 . 6.000 4.486 2.626 6.031 0.031 1 0 "[ . 1 . 2]" 1
139 1 13 ASN H 1 13 ASN HA 1.800 . 2.900 2.857 2.843 2.919 0.019 10 0 "[ . 1 . 2]" 1
140 1 13 ASN H 1 13 ASN HB2 1.800 . 3.500 3.001 2.746 3.584 0.084 13 0 "[ . 1 . 2]" 1
141 1 13 ASN H 1 13 ASN HB3 1.800 . 3.500 3.391 2.506 3.554 0.054 10 0 "[ . 1 . 2]" 1
142 1 13 ASN H 1 13 ASN HD21 1.800 . 6.000 1.906 1.757 2.195 0.043 13 0 "[ . 1 . 2]" 1
143 1 13 ASN H 1 13 ASN HD22 1.800 . 6.000 2.644 2.438 3.092 . 0 0 "[ . 1 . 2]" 1
144 1 13 ASN H 1 14 ARG H 1.800 . 2.900 2.627 2.536 2.673 . 0 0 "[ . 1 . 2]" 1
145 1 13 ASN HA 1 13 ASN HD21 1.800 . 6.000 4.058 3.849 4.200 . 0 0 "[ . 1 . 2]" 1
146 1 13 ASN HA 1 14 ARG H 1.800 . 3.500 3.483 3.328 3.525 0.025 19 0 "[ . 1 . 2]" 1
147 1 13 ASN QB 1 14 ARG H 1.800 . 3.500 2.989 2.698 3.521 0.021 13 0 "[ . 1 . 2]" 1
148 1 13 ASN QD 1 14 ARG HB2 1.800 . 6.000 4.769 4.255 4.915 . 0 0 "[ . 1 . 2]" 1
149 1 13 ASN QD 1 14 ARG HB3 1.800 . 6.000 5.882 4.700 6.072 0.072 20 0 "[ . 1 . 2]" 1
150 1 14 ARG H 1 14 ARG HA 1.800 . 2.900 2.949 2.925 2.990 0.090 4 0 "[ . 1 . 2]" 1
151 1 14 ARG H 1 14 ARG QD 1.800 . 6.000 4.148 3.888 4.731 . 0 0 "[ . 1 . 2]" 1
152 1 14 ARG H 1 15 LEU H 1.800 . 6.000 4.609 4.533 4.647 . 0 0 "[ . 1 . 2]" 1
153 1 14 ARG HA 1 14 ARG QD 1.800 . 6.000 3.885 2.201 4.188 . 0 0 "[ . 1 . 2]" 1
154 1 14 ARG HA 1 15 LEU H 1.800 . 3.500 2.389 2.312 2.470 . 0 0 "[ . 1 . 2]" 1
155 1 14 ARG QB 1 14 ARG QD 1.800 . 3.500 2.218 2.133 2.367 . 0 0 "[ . 1 . 2]" 1
156 1 14 ARG QB 1 15 LEU H 1.800 . 5.000 2.644 2.391 3.537 . 0 0 "[ . 1 . 2]" 1
157 1 14 ARG QD 1 15 LEU H 1.800 . 6.000 4.583 2.812 5.187 . 0 0 "[ . 1 . 2]" 1
158 1 15 LEU H 1 15 LEU HA 1.800 . 2.900 2.930 2.905 2.950 0.050 3 0 "[ . 1 . 2]" 1
159 1 15 LEU H 1 15 LEU HB2 1.800 . 3.500 2.612 2.404 2.716 . 0 0 "[ . 1 . 2]" 1
160 1 15 LEU H 1 15 LEU HB3 1.800 . 3.500 2.821 2.537 3.624 0.124 6 0 "[ . 1 . 2]" 1
161 1 15 LEU H 1 15 LEU MD1 1.800 . 6.000 3.943 3.280 4.135 . 0 0 "[ . 1 . 2]" 1
162 1 15 LEU H 1 15 LEU MD2 1.800 . 6.000 4.076 3.083 4.339 . 0 0 "[ . 1 . 2]" 1
163 1 15 LEU H 1 15 LEU HG 1.800 . 6.000 3.889 2.075 4.455 . 0 0 "[ . 1 . 2]" 1
164 1 15 LEU H 1 16 CYS H 1.800 . 6.000 4.585 4.548 4.612 . 0 0 "[ . 1 . 2]" 1
165 1 15 LEU HA 1 15 LEU MD1 1.800 . 5.000 2.574 2.101 3.849 . 0 0 "[ . 1 . 2]" 1
166 1 15 LEU HA 1 15 LEU MD2 1.800 . 5.000 3.403 2.052 3.852 . 0 0 "[ . 1 . 2]" 1
167 1 15 LEU HA 1 15 LEU HG 1.800 . 3.500 2.883 2.673 3.161 . 0 0 "[ . 1 . 2]" 1
168 1 15 LEU HA 1 16 CYS H 1.800 . 2.900 2.222 2.206 2.242 . 0 0 "[ . 1 . 2]" 1
169 1 15 LEU HB2 1 15 LEU MD1 1.800 . 3.500 2.231 2.181 2.406 . 0 0 "[ . 1 . 2]" 1
170 1 15 LEU HB2 1 15 LEU MD2 1.800 . 3.500 2.626 2.360 3.190 . 0 0 "[ . 1 . 2]" 1
171 1 15 LEU HB2 1 16 CYS H 1.800 . 6.000 4.215 4.052 4.318 . 0 0 "[ . 1 . 2]" 1
172 1 15 LEU HB2 1 25 GLY QA 1.800 . 6.000 5.183 3.736 6.015 0.015 1 0 "[ . 1 . 2]" 1
173 1 15 LEU HB3 1 15 LEU MD1 1.800 . 3.500 2.982 2.284 3.189 . 0 0 "[ . 1 . 2]" 1
174 1 15 LEU HB3 1 15 LEU MD2 1.800 . 3.500 2.250 2.172 2.347 . 0 0 "[ . 1 . 2]" 1
175 1 15 LEU HB3 1 16 CYS H 1.800 . 6.000 3.848 3.158 4.127 . 0 0 "[ . 1 . 2]" 1
176 1 15 LEU HB3 1 25 GLY QA 1.800 . 6.000 4.885 2.898 5.938 . 0 0 "[ . 1 . 2]" 1
177 1 15 LEU QD 1 16 CYS H 1.800 . 6.000 2.809 2.290 3.531 . 0 0 "[ . 1 . 2]" 1
178 1 15 LEU QD 1 26 GLY H 1.800 . 6.000 4.169 3.802 4.620 . 0 0 "[ . 1 . 2]" 1
179 1 15 LEU QD 1 26 GLY HA2 1.800 . 6.000 3.517 2.667 4.371 . 0 0 "[ . 1 . 2]" 1
180 1 15 LEU QD 1 26 GLY HA3 1.800 . 6.000 4.668 3.967 5.453 . 0 0 "[ . 1 . 2]" 1
181 1 15 LEU QD 1 27 ARG H 1.800 . 6.000 4.535 3.673 5.590 . 0 0 "[ . 1 . 2]" 1
182 1 15 LEU MD1 1 25 GLY QA 1.800 . 3.500 3.113 2.186 3.523 0.023 8 0 "[ . 1 . 2]" 1
183 1 15 LEU MD2 1 25 GLY QA 1.800 . 3.500 2.598 1.881 3.542 0.042 6 0 "[ . 1 . 2]" 1
184 1 15 LEU MD2 1 26 GLY QA 1.800 . 6.000 4.037 2.800 4.954 . 0 0 "[ . 1 . 2]" 1
185 1 16 CYS H 1 16 CYS HA 1.800 . 2.900 2.980 2.961 2.989 0.089 11 0 "[ . 1 . 2]" 1
186 1 16 CYS H 1 17 ARG H 1.800 . 6.000 4.359 4.272 4.436 . 0 0 "[ . 1 . 2]" 1
187 1 16 CYS H 1 20 ALA MB 1.800 . 6.000 3.282 2.141 4.455 . 0 0 "[ . 1 . 2]" 1
188 1 16 CYS H 1 25 GLY QA 1.800 . 6.000 5.828 5.202 6.088 0.088 8 0 "[ . 1 . 2]" 1
189 1 16 CYS HA 1 17 ARG H 1.800 . 2.900 2.193 2.170 2.243 . 0 0 "[ . 1 . 2]" 1
190 1 16 CYS HA 1 17 ARG QG 1.800 . 6.000 3.935 3.642 5.821 . 0 0 "[ . 1 . 2]" 1
191 1 16 CYS QB 1 18 VAL H 1.800 . 6.000 3.816 2.596 4.184 . 0 0 "[ . 1 . 2]" 1
192 1 16 CYS QB 1 19 CYS H 1.800 . 6.000 3.512 2.689 4.206 . 0 0 "[ . 1 . 2]" 1
193 1 16 CYS QB 1 20 ALA MB 1.800 . 6.000 4.139 3.286 5.067 . 0 0 "[ . 1 . 2]" 1
194 1 16 CYS HB2 1 17 ARG H 1.800 . 6.000 3.945 3.453 4.547 . 0 0 "[ . 1 . 2]" 1
195 1 16 CYS HB3 1 17 ARG H 1.800 . 6.000 4.386 3.805 4.542 . 0 0 "[ . 1 . 2]" 1
196 1 17 ARG H 1 17 ARG HA 1.800 . 2.900 2.862 2.815 2.954 0.054 5 0 "[ . 1 . 2]" 1
197 1 17 ARG H 1 17 ARG HB2 1.800 . 3.500 2.484 2.415 2.591 . 0 0 "[ . 1 . 2]" 1
198 1 17 ARG H 1 17 ARG QG 1.800 . 5.000 2.301 2.067 3.993 . 0 0 "[ . 1 . 2]" 1
199 1 17 ARG H 1 18 VAL H 1.800 . 2.900 2.686 2.372 2.837 . 0 0 "[ . 1 . 2]" 1
200 1 17 ARG H 1 18 VAL QG 1.800 . 6.000 4.037 3.439 4.213 . 0 0 "[ . 1 . 2]" 1
201 1 17 ARG H 1 19 CYS H 1.800 . 6.000 4.477 4.217 4.646 . 0 0 "[ . 1 . 2]" 1
202 1 17 ARG HA 1 17 ARG QD 1.800 . 6.000 3.921 3.164 4.158 . 0 0 "[ . 1 . 2]" 1
203 1 17 ARG HA 1 17 ARG QG 1.800 . 3.500 2.319 2.238 2.357 . 0 0 "[ . 1 . 2]" 1
204 1 17 ARG QB 1 17 ARG QD 1.800 . 3.500 2.239 2.132 2.348 . 0 0 "[ . 1 . 2]" 1
205 1 17 ARG QB 1 18 VAL H 1.800 . 3.500 2.789 2.625 3.301 . 0 0 "[ . 1 . 2]" 1
206 1 17 ARG QB 1 22 HIS HD1 1.800 . 6.000 4.962 3.745 6.038 0.038 13 0 "[ . 1 . 2]" 1
207 1 17 ARG QD 1 18 VAL H 1.800 . 6.000 5.122 3.874 5.508 . 0 0 "[ . 1 . 2]" 1
208 1 17 ARG QD 1 25 GLY QA 1.800 . 6.000 5.914 4.948 6.046 0.046 20 0 "[ . 1 . 2]" 1
209 1 17 ARG QG 1 25 GLY QA 1.800 . 6.000 4.571 3.706 5.247 . 0 0 "[ . 1 . 2]" 1
210 1 18 VAL H 1 18 VAL HA 1.800 . 2.900 2.827 2.798 2.864 . 0 0 "[ . 1 . 2]" 1
211 1 18 VAL H 1 18 VAL HB 1.800 . 3.500 2.549 2.460 2.669 . 0 0 "[ . 1 . 2]" 1
212 1 18 VAL H 1 18 VAL MG1 1.800 . 6.000 3.779 3.764 3.793 . 0 0 "[ . 1 . 2]" 1
213 1 18 VAL H 1 18 VAL MG2 1.800 . 3.500 2.172 1.900 2.325 . 0 0 "[ . 1 . 2]" 1
214 1 18 VAL H 1 19 CYS H 1.800 . 2.900 2.813 2.674 2.913 0.013 2 0 "[ . 1 . 2]" 1
215 1 18 VAL H 1 20 ALA H 1.800 . 6.000 5.130 5.039 5.229 . 0 0 "[ . 1 . 2]" 1
216 1 18 VAL HA 1 18 VAL MG1 1.800 . 3.500 2.343 2.240 2.409 . 0 0 "[ . 1 . 2]" 1
217 1 18 VAL HA 1 18 VAL MG2 1.800 . 3.500 2.328 2.242 2.418 . 0 0 "[ . 1 . 2]" 1
218 1 18 VAL HA 1 19 CYS H 1.800 . 6.000 3.565 3.543 3.583 . 0 0 "[ . 1 . 2]" 1
219 1 18 VAL HA 1 41 MET ME 1.800 . 6.000 5.913 5.290 6.059 0.059 11 0 "[ . 1 . 2]" 1
220 1 18 VAL HB 1 19 CYS H 1.800 . 6.000 2.637 2.572 2.683 . 0 0 "[ . 1 . 2]" 1
221 1 18 VAL QG 1 19 CYS H 1.800 . 3.500 3.206 3.111 3.302 . 0 0 "[ . 1 . 2]" 1
222 1 18 VAL QG 1 19 CYS HB2 1.800 . 6.000 4.459 4.132 4.624 . 0 0 "[ . 1 . 2]" 1
223 1 18 VAL QG 1 19 CYS QB 1.800 . 6.000 3.291 2.616 4.089 . 0 0 "[ . 1 . 2]" 1
224 1 18 VAL QG 1 19 CYS HB3 1.800 . 6.000 3.475 2.645 4.650 . 0 0 "[ . 1 . 2]" 1
225 1 18 VAL QG 1 20 ALA H 1.800 . 6.000 4.830 4.535 5.023 . 0 0 "[ . 1 . 2]" 1
226 1 18 VAL QG 1 41 MET ME 1.800 . 6.000 5.777 5.301 5.975 . 0 0 "[ . 1 . 2]" 1
227 1 18 VAL MG1 1 19 CYS H 1.800 . 5.000 3.416 3.246 3.583 . 0 0 "[ . 1 . 2]" 1
228 1 18 VAL MG2 1 19 CYS H 1.800 . 5.000 3.900 3.829 3.996 . 0 0 "[ . 1 . 2]" 1
229 1 19 CYS H 1 20 ALA H 1.800 . 3.500 3.396 3.232 3.554 0.054 19 0 "[ . 1 . 2]" 1
230 1 19 CYS H 1 20 ALA HA 1.800 . 6.000 5.086 4.983 5.278 . 0 0 "[ . 1 . 2]" 1
231 1 19 CYS H 1 20 ALA MB 1.800 . 6.000 3.634 3.500 3.801 . 0 0 "[ . 1 . 2]" 1
232 1 19 CYS HA 1 20 ALA H 1.800 . 3.500 2.484 2.459 2.508 . 0 0 "[ . 1 . 2]" 1
233 1 19 CYS HB2 1 20 ALA H 1.800 . 6.000 4.354 4.310 4.404 . 0 0 "[ . 1 . 2]" 1
234 1 19 CYS HB3 1 20 ALA H 1.800 . 6.000 4.586 4.341 4.687 . 0 0 "[ . 1 . 2]" 1
235 1 20 ALA H 1 20 ALA HA 1.800 . 2.900 2.920 2.909 2.942 0.042 7 0 "[ . 1 . 2]" 1
236 1 20 ALA H 1 20 ALA MB 1.800 . 2.900 2.775 2.728 2.811 . 0 0 "[ . 1 . 2]" 1
237 1 20 ALA HA 1 21 CYS H 1.800 . 2.900 2.509 2.420 2.579 . 0 0 "[ . 1 . 2]" 1
238 1 20 ALA MB 1 21 CYS H 1.800 . 2.900 2.361 2.184 2.684 . 0 0 "[ . 1 . 2]" 1
239 1 20 ALA MB 1 21 CYS QB 1.800 . 6.000 3.818 3.556 4.550 . 0 0 "[ . 1 . 2]" 1
240 1 20 ALA MB 1 25 GLY QA 1.800 . 3.500 2.475 1.938 2.981 . 0 0 "[ . 1 . 2]" 1
241 1 20 ALA MB 1 26 GLY H 1.800 . 6.000 4.704 4.001 5.170 . 0 0 "[ . 1 . 2]" 1
242 1 20 ALA MB 1 27 ARG H 1.800 . 6.000 5.542 3.077 6.076 0.076 14 0 "[ . 1 . 2]" 1
243 1 20 ALA MB 1 27 ARG HA 1.800 . 6.000 4.988 3.651 5.823 . 0 0 "[ . 1 . 2]" 1
244 1 21 CYS H 1 21 CYS HA 1.800 . 2.900 2.852 2.811 2.923 0.023 11 0 "[ . 1 . 2]" 1
245 1 21 CYS H 1 21 CYS HB2 1.800 . 3.500 2.630 2.063 3.562 0.062 19 0 "[ . 1 . 2]" 1
246 1 21 CYS H 1 21 CYS HB3 1.800 . 3.500 2.635 2.102 3.378 . 0 0 "[ . 1 . 2]" 1
247 1 21 CYS H 1 22 HIS H 1.800 . 6.000 4.592 4.496 4.664 . 0 0 "[ . 1 . 2]" 1
248 1 21 CYS H 1 25 GLY H 1.800 . 6.000 4.623 3.716 6.001 0.001 19 0 "[ . 1 . 2]" 1
249 1 21 CYS H 1 25 GLY QA 1.800 . 6.000 2.769 2.174 3.509 . 0 0 "[ . 1 . 2]" 1
250 1 21 CYS H 1 26 GLY H 1.800 . 6.000 4.141 3.543 5.112 . 0 0 "[ . 1 . 2]" 1
251 1 21 CYS H 1 26 GLY QA 1.800 . 6.000 4.753 4.192 5.593 . 0 0 "[ . 1 . 2]" 1
252 1 21 CYS H 1 27 ARG H 1.800 . 6.000 5.342 2.549 6.057 0.057 1 0 "[ . 1 . 2]" 1
253 1 21 CYS HA 1 22 HIS H 1.800 . 2.900 2.206 2.166 2.265 . 0 0 "[ . 1 . 2]" 1
254 1 21 CYS HA 1 22 HIS QB 1.800 . 6.000 4.157 4.113 4.263 . 0 0 "[ . 1 . 2]" 1
255 1 21 CYS HA 1 23 LEU H 1.800 . 6.000 4.228 3.975 5.135 . 0 0 "[ . 1 . 2]" 1
256 1 21 CYS HA 1 42 ALA MB 1.800 . 3.500 2.504 2.120 3.445 . 0 0 "[ . 1 . 2]" 1
257 1 21 CYS HA 1 43 PHE HA 1.800 . 6.000 5.588 4.593 6.010 0.010 13 0 "[ . 1 . 2]" 1
258 1 21 CYS QB 1 22 HIS H 1.800 . 6.000 3.629 2.903 3.807 . 0 0 "[ . 1 . 2]" 1
259 1 21 CYS QB 1 26 GLY QA 1.800 . 6.000 3.886 3.111 5.062 . 0 0 "[ . 1 . 2]" 1
260 1 21 CYS QB 1 44 HIS HD1 1.800 . 6.000 4.027 2.607 4.703 . 0 0 "[ . 1 . 2]" 1
261 1 21 CYS HB2 1 26 GLY H 1.800 . 6.000 3.745 1.940 6.044 0.044 11 0 "[ . 1 . 2]" 1
262 1 21 CYS HB3 1 26 GLY H 1.800 . 6.000 2.947 1.819 5.094 . 0 0 "[ . 1 . 2]" 1
263 1 22 HIS H 1 22 HIS HB2 1.800 . 3.500 2.521 2.434 2.619 . 0 0 "[ . 1 . 2]" 1
264 1 22 HIS H 1 22 HIS HB3 1.800 . 3.500 2.569 2.442 2.783 . 0 0 "[ . 1 . 2]" 1
265 1 22 HIS H 1 23 LEU H 1.800 . 3.500 2.901 2.792 3.512 0.012 19 0 "[ . 1 . 2]" 1
266 1 22 HIS H 1 42 ALA H 1.800 . 6.000 3.634 3.130 4.680 . 0 0 "[ . 1 . 2]" 1
267 1 22 HIS HA 1 23 LEU H 1.800 . 6.000 3.576 3.549 3.607 . 0 0 "[ . 1 . 2]" 1
268 1 22 HIS QB 1 41 MET HB2 1.800 . 6.000 4.269 3.749 4.717 . 0 0 "[ . 1 . 2]" 1
269 1 22 HIS QB 1 41 MET HB3 1.800 . 6.000 2.842 2.264 3.299 . 0 0 "[ . 1 . 2]" 1
270 1 22 HIS QB 1 42 ALA H 1.800 . 6.000 3.052 2.075 4.034 . 0 0 "[ . 1 . 2]" 1
271 1 22 HIS HB2 1 23 LEU H 1.800 . 6.000 3.873 3.511 3.962 . 0 0 "[ . 1 . 2]" 1
272 1 22 HIS HB2 1 23 LEU QD 1.800 . 6.000 4.419 3.807 4.771 . 0 0 "[ . 1 . 2]" 1
273 1 22 HIS HB2 1 43 PHE QE 1.800 . 6.000 5.717 4.712 6.016 0.016 11 0 "[ . 1 . 2]" 1
274 1 22 HIS HB3 1 23 LEU H 1.800 . 6.000 2.528 1.931 2.702 . 0 0 "[ . 1 . 2]" 1
275 1 22 HIS HB3 1 23 LEU QD 1.800 . 6.000 3.274 2.370 3.517 . 0 0 "[ . 1 . 2]" 1
276 1 22 HIS HB3 1 43 PHE QE 1.800 . 6.000 5.529 5.026 5.774 . 0 0 "[ . 1 . 2]" 1
277 1 22 HIS HD1 1 23 LEU QD 1.800 . 3.500 2.824 2.474 3.249 . 0 0 "[ . 1 . 2]" 1
278 1 22 HIS HD1 1 43 PHE HZ 1.800 . 5.000 5.025 4.710 5.079 0.079 6 0 "[ . 1 . 2]" 1
279 1 23 LEU H 1 23 LEU HA 1.800 . 2.900 2.939 2.854 2.984 0.084 2 0 "[ . 1 . 2]" 1
280 1 23 LEU H 1 23 LEU QD 1.800 . 6.000 3.003 2.145 3.199 . 0 0 "[ . 1 . 2]" 1
281 1 23 LEU H 1 23 LEU HG 1.800 . 6.000 2.381 1.862 4.027 . 0 0 "[ . 1 . 2]" 1
282 1 23 LEU H 1 24 CYS H 1.800 . 6.000 3.461 2.438 4.521 . 0 0 "[ . 1 . 2]" 1
283 1 23 LEU H 1 25 GLY QA 1.800 . 6.000 5.238 4.680 6.106 0.106 11 0 "[ . 1 . 2]" 1
284 1 23 LEU H 1 44 HIS H 1.800 . 6.000 5.215 4.902 5.783 . 0 0 "[ . 1 . 2]" 1
285 1 23 LEU HA 1 23 LEU MD1 1.800 . 6.000 3.702 2.115 3.829 . 0 0 "[ . 1 . 2]" 1
286 1 23 LEU HA 1 23 LEU MD2 1.800 . 6.000 2.063 2.045 2.196 . 0 0 "[ . 1 . 2]" 1
287 1 23 LEU HA 1 23 LEU HG 1.800 . 3.500 3.171 3.061 3.558 0.058 18 0 "[ . 1 . 2]" 1
288 1 23 LEU HA 1 24 CYS H 1.800 . 3.500 3.138 2.244 3.567 0.067 17 0 "[ . 1 . 2]" 1
289 1 23 LEU HA 1 25 GLY H 1.800 . 6.000 4.909 3.748 6.110 0.110 19 0 "[ . 1 . 2]" 1
290 1 23 LEU QB 1 23 LEU MD1 1.800 . 3.500 2.091 2.060 2.173 . 0 0 "[ . 1 . 2]" 1
291 1 23 LEU QB 1 24 CYS QB 1.800 . 6.000 3.365 3.218 3.573 . 0 0 "[ . 1 . 2]" 1
292 1 23 LEU QB 1 44 HIS QB 1.800 . 6.000 4.338 3.838 5.078 . 0 0 "[ . 1 . 2]" 1
293 1 23 LEU HB2 1 24 CYS H 1.800 . 6.000 2.708 1.761 4.029 0.039 12 0 "[ . 1 . 2]" 1
294 1 23 LEU HB3 1 24 CYS H 1.800 . 6.000 3.059 2.211 4.308 . 0 0 "[ . 1 . 2]" 1
295 1 23 LEU QD 1 24 CYS H 1.800 . 6.000 3.675 3.364 4.318 . 0 0 "[ . 1 . 2]" 1
296 1 23 LEU QD 1 43 PHE QE 1.800 . 6.000 4.480 3.454 5.308 . 0 0 "[ . 1 . 2]" 1
297 1 23 LEU QD 1 43 PHE HZ 1.800 . 6.000 5.731 4.294 6.051 0.051 20 0 "[ . 1 . 2]" 1
298 1 23 LEU QD 1 47 CYS QB 1.800 . 6.000 5.095 4.515 6.047 0.047 10 0 "[ . 1 . 2]" 1
299 1 23 LEU HG 1 24 CYS H 1.800 . 6.000 4.456 3.911 5.185 . 0 0 "[ . 1 . 2]" 1
300 1 24 CYS H 1 24 CYS HA 1.800 . 2.900 2.727 2.349 2.968 0.068 17 0 "[ . 1 . 2]" 1
301 1 24 CYS H 1 25 GLY H 1.800 . 6.000 3.437 2.641 4.665 . 0 0 "[ . 1 . 2]" 1
302 1 24 CYS H 1 25 GLY QA 1.800 . 6.000 4.614 4.168 5.281 . 0 0 "[ . 1 . 2]" 1
303 1 24 CYS H 1 26 GLY H 1.800 . 6.000 4.825 4.329 5.539 . 0 0 "[ . 1 . 2]" 1
304 1 24 CYS HA 1 25 GLY H 1.800 . 6.000 3.088 2.166 3.574 . 0 0 "[ . 1 . 2]" 1
305 1 24 CYS HA 1 26 GLY H 1.800 . 6.000 4.258 3.183 4.903 . 0 0 "[ . 1 . 2]" 1
306 1 24 CYS QB 1 25 GLY H 1.800 . 6.000 3.395 3.264 3.830 . 0 0 "[ . 1 . 2]" 1
307 1 24 CYS QB 1 26 GLY H 1.800 . 6.000 3.337 2.769 3.840 . 0 0 "[ . 1 . 2]" 1
308 1 25 GLY H 1 26 GLY H 1.800 . 3.500 2.624 2.373 3.208 . 0 0 "[ . 1 . 2]" 1
309 1 25 GLY H 1 26 GLY QA 1.800 . 6.000 4.461 4.322 4.681 . 0 0 "[ . 1 . 2]" 1
310 1 25 GLY QA 1 26 GLY H 1.800 . 2.900 2.855 2.696 2.937 0.037 3 0 "[ . 1 . 2]" 1
311 1 26 GLY H 1 27 ARG H 1.800 . 6.000 4.324 2.768 4.704 . 0 0 "[ . 1 . 2]" 1
312 1 26 GLY QA 1 27 ARG H 1.800 . 2.900 2.348 2.161 2.806 . 0 0 "[ . 1 . 2]" 1
313 1 26 GLY QA 1 28 GLN H 1.800 . 6.000 3.772 3.097 4.882 . 0 0 "[ . 1 . 2]" 1
314 1 26 GLY QA 1 28 GLN HE21 1.800 . 6.000 5.083 4.179 6.007 0.007 19 0 "[ . 1 . 2]" 1
315 1 26 GLY QA 1 28 GLN HE22 1.800 . 6.000 5.801 5.268 6.046 0.046 5 0 "[ . 1 . 2]" 1
316 1 27 ARG H 1 27 ARG HA 1.800 . 2.900 2.868 2.349 2.984 0.084 2 0 "[ . 1 . 2]" 1
317 1 27 ARG H 1 27 ARG QB 1.800 . 3.500 2.676 2.453 3.322 . 0 0 "[ . 1 . 2]" 1
318 1 27 ARG H 1 27 ARG QD 1.800 . 6.000 4.514 3.842 5.192 . 0 0 "[ . 1 . 2]" 1
319 1 27 ARG H 1 27 ARG HG2 1.800 . 5.000 4.000 3.293 4.860 . 0 0 "[ . 1 . 2]" 1
320 1 27 ARG H 1 27 ARG HG3 1.800 . 5.000 3.146 2.140 4.785 . 0 0 "[ . 1 . 2]" 1
321 1 27 ARG H 1 28 GLN H 1.800 . 3.500 2.898 2.170 3.560 0.060 11 0 "[ . 1 . 2]" 1
322 1 27 ARG QG 1 27 ARG QH2 1.800 . 6.000 4.104 4.016 4.329 . 0 0 "[ . 1 . 2]" 1
323 1 27 ARG HG2 1 28 GLN H 1.800 . 6.000 4.843 3.872 5.159 . 0 0 "[ . 1 . 2]" 1
324 1 27 ARG HG3 1 28 GLN H 1.800 . 6.000 4.773 4.018 5.219 . 0 0 "[ . 1 . 2]" 1
325 1 28 GLN H 1 28 GLN HA 1.800 . 2.900 2.845 2.373 2.990 0.090 10 0 "[ . 1 . 2]" 1
326 1 28 GLN H 1 28 GLN QG 1.800 . 6.000 2.263 2.000 2.722 . 0 0 "[ . 1 . 2]" 1
327 1 28 GLN HA 1 28 GLN HG2 1.800 . 3.500 2.526 2.387 3.637 0.137 19 0 "[ . 1 . 2]" 1
328 1 28 GLN HA 1 28 GLN HG3 1.800 . 3.500 3.110 3.010 3.695 0.195 19 0 "[ . 1 . 2]" 1
329 1 28 GLN HA 1 29 ASP H 1.800 . 3.500 2.613 2.205 3.544 0.044 18 0 "[ . 1 . 2]" 1
330 1 28 GLN HA 1 30 PRO QD 1.800 . 6.000 3.699 3.137 4.822 . 0 0 "[ . 1 . 2]" 1
331 1 28 GLN HB2 1 29 ASP H 1.800 . 6.000 3.731 2.679 4.364 . 0 0 "[ . 1 . 2]" 1
332 1 28 GLN HB3 1 28 GLN HE21 1.800 . 6.000 3.078 1.985 4.400 . 0 0 "[ . 1 . 2]" 1
333 1 28 GLN HB3 1 29 ASP H 1.800 . 6.000 3.513 3.046 4.449 . 0 0 "[ . 1 . 2]" 1
334 1 28 GLN QE 1 29 ASP QB 1.800 . 6.000 5.304 3.796 6.021 0.021 10 0 "[ . 1 . 2]" 1
335 1 28 GLN HE21 1 48 LEU H 1.800 . 6.000 5.953 5.573 6.059 0.059 12 0 "[ . 1 . 2]" 1
336 1 28 GLN HE22 1 48 LEU H 1.800 . 6.000 5.938 5.518 6.057 0.057 14 0 "[ . 1 . 2]" 1
337 1 28 GLN QG 1 29 ASP H 1.800 . 6.000 4.121 3.473 4.523 . 0 0 "[ . 1 . 2]" 1
338 1 28 GLN QG 1 29 ASP QB 1.800 . 6.000 5.219 2.582 5.695 . 0 0 "[ . 1 . 2]" 1
339 1 29 ASP H 1 29 ASP HA 1.800 . 2.900 2.500 2.352 2.930 0.030 9 0 "[ . 1 . 2]" 1
340 1 29 ASP H 1 30 PRO HD2 1.800 . 3.500 3.548 3.129 3.696 0.196 6 0 "[ . 1 . 2]" 1
341 1 29 ASP H 1 30 PRO HD3 1.800 . 3.500 2.473 2.228 2.881 . 0 0 "[ . 1 . 2]" 1
342 1 29 ASP H 1 31 ASP H 1.800 . 6.000 5.327 5.030 5.489 . 0 0 "[ . 1 . 2]" 1
343 1 29 ASP QB 1 32 LYS QB 1.800 . 6.000 2.344 2.086 2.718 . 0 0 "[ . 1 . 2]" 1
344 1 29 ASP QB 1 32 LYS HG2 1.800 . 6.000 4.160 3.724 4.948 . 0 0 "[ . 1 . 2]" 1
345 1 29 ASP QB 1 32 LYS HG3 1.800 . 6.000 2.826 2.287 4.395 . 0 0 "[ . 1 . 2]" 1
346 1 30 PRO HA 1 31 ASP H 1.800 . 6.000 3.538 3.514 3.561 . 0 0 "[ . 1 . 2]" 1
347 1 30 PRO HA 1 32 LYS H 1.800 . 6.000 4.026 3.864 4.207 . 0 0 "[ . 1 . 2]" 1
348 1 30 PRO HA 1 33 GLN H 1.800 . 6.000 3.569 3.126 3.910 . 0 0 "[ . 1 . 2]" 1
349 1 30 PRO QB 1 30 PRO HD2 1.800 . 3.500 3.127 3.001 3.538 0.038 4 0 "[ . 1 . 2]" 1
350 1 30 PRO QB 1 30 PRO HD3 1.800 . 3.500 3.423 2.985 3.532 0.032 15 0 "[ . 1 . 2]" 1
351 1 30 PRO QD 1 31 ASP HA 1.800 . 6.000 5.307 5.226 5.520 . 0 0 "[ . 1 . 2]" 1
352 1 30 PRO HD2 1 31 ASP H 1.800 . 6.000 2.845 2.731 3.085 . 0 0 "[ . 1 . 2]" 1
353 1 30 PRO HD3 1 31 ASP H 1.800 . 6.000 4.044 4.007 4.115 . 0 0 "[ . 1 . 2]" 1
354 1 31 ASP H 1 31 ASP HA 1.800 . 2.900 2.874 2.852 2.898 . 0 0 "[ . 1 . 2]" 1
355 1 31 ASP H 1 31 ASP HB2 1.800 . 3.500 2.548 2.407 3.601 0.101 15 0 "[ . 1 . 2]" 1
356 1 31 ASP H 1 31 ASP HB3 1.800 . 3.500 3.398 2.540 3.600 0.100 6 0 "[ . 1 . 2]" 1
357 1 31 ASP H 1 32 LYS H 1.800 . 2.900 2.588 2.522 2.643 . 0 0 "[ . 1 . 2]" 1
358 1 31 ASP HA 1 32 LYS H 1.800 . 3.500 3.499 3.493 3.505 0.005 17 0 "[ . 1 . 2]" 1
359 1 31 ASP QB 1 32 LYS H 1.800 . 6.000 2.925 2.819 3.572 . 0 0 "[ . 1 . 2]" 1
360 1 31 ASP QB 1 32 LYS HB2 1.800 . 6.000 4.725 4.071 5.522 . 0 0 "[ . 1 . 2]" 1
361 1 31 ASP QB 1 32 LYS HB3 1.800 . 6.000 5.440 5.020 6.094 0.094 15 0 "[ . 1 . 2]" 1
362 1 32 LYS H 1 32 LYS HA 1.800 . 2.900 2.950 2.933 2.975 0.075 6 0 "[ . 1 . 2]" 1
363 1 32 LYS H 1 32 LYS HG2 1.800 . 6.000 3.658 3.548 4.535 . 0 0 "[ . 1 . 2]" 1
364 1 32 LYS H 1 32 LYS HG3 1.800 . 6.000 2.597 2.425 4.444 . 0 0 "[ . 1 . 2]" 1
365 1 32 LYS H 1 33 GLN H 1.800 . 6.000 2.523 2.385 2.631 . 0 0 "[ . 1 . 2]" 1
366 1 32 LYS HA 1 33 GLN H 1.800 . 3.500 3.239 3.131 3.291 . 0 0 "[ . 1 . 2]" 1
367 1 32 LYS HA 1 55 VAL QG 1.800 . 6.000 3.612 2.743 4.765 . 0 0 "[ . 1 . 2]" 1
368 1 32 LYS QB 1 33 GLN H 1.800 . 6.000 3.481 3.370 3.601 . 0 0 "[ . 1 . 2]" 1
369 1 32 LYS QB 1 45 ILE MD 1.800 . 6.000 3.696 3.404 4.610 . 0 0 "[ . 1 . 2]" 1
370 1 32 LYS HB2 1 32 LYS QE 1.800 . 6.000 3.946 2.965 4.211 . 0 0 "[ . 1 . 2]" 1
371 1 32 LYS HB2 1 45 ILE MD 1.800 . 6.000 4.714 4.448 5.756 . 0 0 "[ . 1 . 2]" 1
372 1 32 LYS HB3 1 32 LYS QE 1.800 . 6.000 3.961 2.155 4.183 . 0 0 "[ . 1 . 2]" 1
373 1 32 LYS HB3 1 45 ILE MD 1.800 . 6.000 3.865 3.515 4.852 . 0 0 "[ . 1 . 2]" 1
374 1 32 LYS QG 1 45 ILE MD 1.800 . 6.000 5.141 2.825 6.035 0.035 12 0 "[ . 1 . 2]" 1
375 1 33 GLN H 1 33 GLN HA 1.800 . 2.900 2.924 2.891 2.951 0.051 11 0 "[ . 1 . 2]" 1
376 1 33 GLN H 1 33 GLN QE 1.800 . 6.000 5.093 4.688 5.770 . 0 0 "[ . 1 . 2]" 1
377 1 33 GLN H 1 33 GLN HG2 1.800 . 6.000 3.797 2.330 4.456 . 0 0 "[ . 1 . 2]" 1
378 1 33 GLN H 1 33 GLN HG3 1.800 . 6.000 3.264 2.112 4.567 . 0 0 "[ . 1 . 2]" 1
379 1 33 GLN H 1 55 VAL QG 1.800 . 6.000 5.522 4.863 6.029 0.029 12 0 "[ . 1 . 2]" 1
380 1 33 GLN HA 1 34 LEU H 1.800 . 3.500 2.208 2.188 2.258 . 0 0 "[ . 1 . 2]" 1
381 1 33 GLN HA 1 44 HIS HA 1.800 . 6.000 6.078 5.964 6.185 0.185 17 0 "[ . 1 . 2]" 1
382 1 33 GLN QB 2 11 THR MG 1.800 . 6.000 14.664 10.005 20.223 14.223 4 20 [***+***************-] 1
383 1 33 GLN HB2 1 34 LEU H 1.800 . 6.000 4.135 2.985 4.356 . 0 0 "[ . 1 . 2]" 1
384 1 33 GLN HB2 1 43 PHE H 1.800 . 6.000 5.709 3.540 6.023 0.023 3 0 "[ . 1 . 2]" 1
385 1 33 GLN HB3 1 34 LEU H 1.800 . 6.000 3.767 3.140 4.287 . 0 0 "[ . 1 . 2]" 1
386 1 33 GLN HB3 1 43 PHE H 1.800 . 6.000 5.111 3.980 6.053 0.053 19 0 "[ . 1 . 2]" 1
387 1 33 GLN QG 1 34 LEU H 1.800 . 6.000 3.576 2.649 4.279 . 0 0 "[ . 1 . 2]" 1
388 1 33 GLN QG 1 43 PHE H 1.800 . 6.000 4.457 3.026 5.627 . 0 0 "[ . 1 . 2]" 1
389 1 34 LEU H 1 34 LEU QB 1.800 . 2.900 2.443 2.360 2.522 . 0 0 "[ . 1 . 2]" 1
390 1 34 LEU H 1 34 LEU MD1 1.800 . 6.000 4.005 3.800 4.160 . 0 0 "[ . 1 . 2]" 1
391 1 34 LEU H 1 34 LEU MD2 1.800 . 6.000 4.042 3.287 4.449 . 0 0 "[ . 1 . 2]" 1
392 1 34 LEU H 1 34 LEU HG 1.800 . 6.000 3.691 2.436 4.503 . 0 0 "[ . 1 . 2]" 1
393 1 34 LEU H 1 43 PHE H 1.800 . 6.000 3.463 3.204 3.885 . 0 0 "[ . 1 . 2]" 1
394 1 34 LEU HA 1 34 LEU MD1 1.800 . 6.000 2.779 2.079 3.804 . 0 0 "[ . 1 . 2]" 1
395 1 34 LEU HA 1 34 LEU MD2 1.800 . 6.000 3.103 2.036 3.815 . 0 0 "[ . 1 . 2]" 1
396 1 34 LEU HA 1 34 LEU HG 1.800 . 3.500 2.955 2.761 3.187 . 0 0 "[ . 1 . 2]" 1
397 1 34 LEU HA 1 35 MET H 1.800 . 2.900 2.220 2.199 2.251 . 0 0 "[ . 1 . 2]" 1
398 1 34 LEU QB 1 34 LEU MD1 1.800 . 3.500 2.143 2.079 2.186 . 0 0 "[ . 1 . 2]" 1
399 1 34 LEU QB 1 34 LEU MD2 1.800 . 3.500 2.146 2.084 2.280 . 0 0 "[ . 1 . 2]" 1
400 1 34 LEU QB 1 35 MET H 1.800 . 6.000 3.402 2.831 3.764 . 0 0 "[ . 1 . 2]" 1
401 1 34 LEU QD 1 45 ILE QG 1.800 . 6.000 3.028 2.211 3.600 . 0 0 "[ . 1 . 2]" 1
402 1 34 LEU QD 1 55 VAL QG 1.800 . 3.500 2.310 1.807 3.147 . 0 0 "[ . 1 . 2]" 1
403 1 34 LEU QD 1 61 TRP HD1 1.800 . 3.500 3.075 2.325 3.555 0.055 8 0 "[ . 1 . 2]" 1
404 1 34 LEU MD1 1 35 MET H 1.800 . 6.000 3.469 2.318 4.869 . 0 0 "[ . 1 . 2]" 1
405 1 34 LEU MD1 1 45 ILE MG 1.800 . 6.000 4.174 2.802 5.480 . 0 0 "[ . 1 . 2]" 1
406 1 34 LEU MD1 1 55 VAL HA 1.800 . 6.000 4.365 3.580 5.200 . 0 0 "[ . 1 . 2]" 1
407 1 34 LEU MD1 1 56 PRO QB 1.800 . 6.000 4.798 4.082 5.260 . 0 0 "[ . 1 . 2]" 1
408 1 34 LEU MD1 1 56 PRO HD2 1.800 . 5.000 3.121 2.591 3.505 . 0 0 "[ . 1 . 2]" 1
409 1 34 LEU MD1 1 56 PRO HD3 1.800 . 5.000 4.436 3.793 5.022 0.022 14 0 "[ . 1 . 2]" 1
410 1 34 LEU MD1 1 56 PRO QG 1.800 . 6.000 3.237 2.429 3.780 . 0 0 "[ . 1 . 2]" 1
411 1 34 LEU MD2 1 35 MET H 1.800 . 6.000 3.954 3.260 4.433 . 0 0 "[ . 1 . 2]" 1
412 1 34 LEU MD2 1 45 ILE MG 1.800 . 6.000 3.873 2.780 5.258 . 0 0 "[ . 1 . 2]" 1
413 1 34 LEU MD2 1 55 VAL HA 1.800 . 6.000 4.785 3.972 5.754 . 0 0 "[ . 1 . 2]" 1
414 1 34 LEU MD2 1 56 PRO QB 1.800 . 6.000 5.116 4.741 5.901 . 0 0 "[ . 1 . 2]" 1
415 1 34 LEU MD2 1 56 PRO HD2 1.800 . 5.000 3.537 3.024 4.244 . 0 0 "[ . 1 . 2]" 1
416 1 34 LEU MD2 1 56 PRO HD3 1.800 . 5.000 4.759 4.230 5.023 0.023 8 0 "[ . 1 . 2]" 1
417 1 34 LEU MD2 1 56 PRO HG2 1.800 . 6.000 3.759 3.231 4.832 . 0 0 "[ . 1 . 2]" 1
418 1 34 LEU MD2 1 56 PRO HG3 1.800 . 6.000 4.596 3.954 5.781 . 0 0 "[ . 1 . 2]" 1
419 1 34 LEU HG 1 35 MET H 1.800 . 6.000 3.664 2.619 5.154 . 0 0 "[ . 1 . 2]" 1
420 1 34 LEU O 1 43 PHE H 2.000 . 2.200 2.365 2.294 2.429 0.229 11 0 "[ . 1 . 2]" 1
421 1 34 LEU O 1 43 PHE N 3.000 2.200 3.200 3.198 3.082 3.278 0.078 11 0 "[ . 1 . 2]" 1
422 1 35 MET H 1 35 MET HG2 1.800 . 6.000 3.907 2.706 4.464 . 0 0 "[ . 1 . 2]" 1
423 1 35 MET H 1 35 MET HG3 1.800 . 6.000 3.260 2.743 4.653 . 0 0 "[ . 1 . 2]" 1
424 1 35 MET H 1 36 CYS H 1.800 . 6.000 4.498 4.463 4.545 . 0 0 "[ . 1 . 2]" 1
425 1 35 MET HA 1 35 MET ME 1.800 . 3.500 3.478 2.999 3.598 0.098 12 0 "[ . 1 . 2]" 1
426 1 35 MET HA 1 35 MET HG2 1.800 . 3.500 2.550 2.391 2.979 . 0 0 "[ . 1 . 2]" 1
427 1 35 MET HA 1 35 MET HG3 1.800 . 3.500 3.004 2.444 3.677 0.177 11 0 "[ . 1 . 2]" 1
428 1 35 MET HA 1 36 CYS H 1.800 . 2.900 2.234 2.215 2.256 . 0 0 "[ . 1 . 2]" 1
429 1 35 MET HA 1 42 ALA HA 1.800 . 2.900 2.255 2.231 2.289 . 0 0 "[ . 1 . 2]" 1
430 1 35 MET HA 1 42 ALA MB 1.800 . 6.000 3.684 3.585 3.837 . 0 0 "[ . 1 . 2]" 1
431 1 35 MET HA 1 43 PHE H 1.800 . 6.000 3.850 3.575 4.026 . 0 0 "[ . 1 . 2]" 1
432 1 35 MET HB2 1 36 CYS H 1.800 . 6.000 4.083 4.045 4.177 . 0 0 "[ . 1 . 2]" 1
433 1 35 MET HB3 1 36 CYS H 1.800 . 6.000 3.235 3.029 3.982 . 0 0 "[ . 1 . 2]" 1
434 1 35 MET ME 1 35 MET QG 1.800 . 3.500 2.191 2.185 2.213 . 0 0 "[ . 1 . 2]" 1
435 1 35 MET ME 1 40 ASP HB2 1.800 . 6.000 5.115 4.457 5.906 . 0 0 "[ . 1 . 2]" 1
436 1 35 MET ME 1 40 ASP HB3 1.800 . 6.000 4.083 3.265 5.506 . 0 0 "[ . 1 . 2]" 1
437 1 35 MET ME 1 42 ALA HA 1.800 . 5.000 3.665 3.273 4.067 . 0 0 "[ . 1 . 2]" 1
438 1 35 MET ME 1 42 ALA MB 1.800 . 6.000 3.150 2.833 3.540 . 0 0 "[ . 1 . 2]" 1
439 1 35 MET QG 1 36 CYS H 1.800 . 6.000 3.736 2.389 4.558 . 0 0 "[ . 1 . 2]" 1
440 1 36 CYS H 1 36 CYS HB2 1.800 . 3.500 2.889 2.591 3.308 . 0 0 "[ . 1 . 2]" 1
441 1 36 CYS H 1 36 CYS HB3 1.800 . 3.500 2.402 2.248 2.593 . 0 0 "[ . 1 . 2]" 1
442 1 36 CYS H 1 41 MET H 1.800 . 3.500 2.505 2.222 2.600 . 0 0 "[ . 1 . 2]" 1
443 1 36 CYS H 1 41 MET O 2.000 . 2.200 1.999 1.771 2.138 . 0 0 "[ . 1 . 2]" 1
444 1 36 CYS H 1 42 ALA HA 1.800 . 6.000 3.793 3.679 3.873 . 0 0 "[ . 1 . 2]" 1
445 1 36 CYS H 1 43 PHE QE 1.800 . 6.000 3.780 2.870 5.017 . 0 0 "[ . 1 . 2]" 1
446 1 36 CYS H 1 61 TRP HD1 1.800 . 6.000 4.567 3.926 5.193 . 0 0 "[ . 1 . 2]" 1
447 1 36 CYS HA 1 37 ASP H 1.800 . 2.900 2.199 2.180 2.219 . 0 0 "[ . 1 . 2]" 1
448 1 36 CYS HA 1 63 CYS H 1.800 . 6.000 4.403 3.516 5.312 . 0 0 "[ . 1 . 2]" 1
449 1 36 CYS QB 1 38 GLU H 1.800 . 6.000 4.242 4.003 4.369 . 0 0 "[ . 1 . 2]" 1
450 1 36 CYS QB 1 39 CYS H 1.800 . 6.000 3.036 2.754 3.684 . 0 0 "[ . 1 . 2]" 1
451 1 36 CYS HB2 1 37 ASP H 1.800 . 6.000 4.194 3.819 4.389 . 0 0 "[ . 1 . 2]" 1
452 1 36 CYS HB2 1 61 TRP HD1 1.800 . 6.000 4.215 3.056 5.073 . 0 0 "[ . 1 . 2]" 1
453 1 36 CYS HB2 1 63 CYS H 1.800 . 6.000 2.987 2.158 3.475 . 0 0 "[ . 1 . 2]" 1
454 1 36 CYS HB3 1 37 ASP H 1.800 . 6.000 4.268 4.190 4.365 . 0 0 "[ . 1 . 2]" 1
455 1 36 CYS HB3 1 61 TRP HD1 1.800 . 6.000 5.378 4.352 6.049 0.049 8 0 "[ . 1 . 2]" 1
456 1 36 CYS HB3 1 63 CYS H 1.800 . 6.000 4.085 3.490 4.635 . 0 0 "[ . 1 . 2]" 1
457 1 36 CYS N 1 41 MET O 3.000 2.200 3.200 2.933 2.705 3.065 . 0 0 "[ . 1 . 2]" 1
458 1 36 CYS O 1 41 MET N 3.000 2.200 3.200 3.461 3.396 3.503 0.303 10 0 "[ . 1 . 2]" 1
459 1 37 ASP H 1 37 ASP HA 1.800 . 2.900 2.864 2.850 2.879 . 0 0 "[ . 1 . 2]" 1
460 1 37 ASP H 1 37 ASP HB2 1.800 . 3.500 2.437 2.418 2.462 . 0 0 "[ . 1 . 2]" 1
461 1 37 ASP H 1 37 ASP QB 1.800 . 6.000 2.390 2.259 2.420 . 0 0 "[ . 1 . 2]" 1
462 1 37 ASP H 1 37 ASP HB3 1.800 . 3.500 3.545 2.641 3.603 0.103 7 0 "[ . 1 . 2]" 1
463 1 37 ASP H 1 38 GLU H 1.800 . 2.900 2.722 2.633 2.806 . 0 0 "[ . 1 . 2]" 1
464 1 37 ASP H 1 39 CYS H 1.800 . 6.000 4.203 4.118 4.427 . 0 0 "[ . 1 . 2]" 1
465 1 37 ASP H 1 61 TRP HD1 1.800 . 6.000 4.445 3.447 5.660 . 0 0 "[ . 1 . 2]" 1
466 1 37 ASP H 1 62 TYR HA 1.800 . 6.000 4.122 3.440 4.767 . 0 0 "[ . 1 . 2]" 1
467 1 37 ASP H 1 62 TYR QE 1.800 . 6.000 4.024 3.134 5.385 . 0 0 "[ . 1 . 2]" 1
468 1 37 ASP HA 1 38 GLU H 1.800 . 6.000 3.572 3.550 3.592 . 0 0 "[ . 1 . 2]" 1
469 1 37 ASP HA 1 41 MET H 1.800 . 6.000 5.233 5.148 5.342 . 0 0 "[ . 1 . 2]" 1
470 1 37 ASP QB 1 38 GLU H 1.800 . 6.000 2.521 2.435 2.724 . 0 0 "[ . 1 . 2]" 1
471 1 37 ASP QB 1 62 TYR QE 1.800 . 6.000 2.642 2.263 3.914 . 0 0 "[ . 1 . 2]" 1
472 1 38 GLU H 1 38 GLU HA 1.800 . 2.900 2.859 2.833 2.875 . 0 0 "[ . 1 . 2]" 1
473 1 38 GLU H 1 38 GLU HB2 1.800 . 3.500 2.469 2.433 2.527 . 0 0 "[ . 1 . 2]" 1
474 1 38 GLU H 1 38 GLU HB3 1.800 . 3.500 3.260 2.596 3.611 0.111 4 0 "[ . 1 . 2]" 1
475 1 38 GLU H 1 38 GLU HG2 1.800 . 6.000 3.494 2.168 4.681 . 0 0 "[ . 1 . 2]" 1
476 1 38 GLU H 1 38 GLU HG3 1.800 . 6.000 3.345 2.195 4.502 . 0 0 "[ . 1 . 2]" 1
477 1 38 GLU H 1 39 CYS H 1.800 . 2.900 2.699 2.672 2.796 . 0 0 "[ . 1 . 2]" 1
478 1 38 GLU H 1 62 TYR QE 1.800 . 6.000 3.336 2.448 4.132 . 0 0 "[ . 1 . 2]" 1
479 1 38 GLU HA 1 39 CYS H 1.800 . 3.500 3.546 3.536 3.555 0.055 11 0 "[ . 1 . 2]" 1
480 1 38 GLU QB 1 39 CYS H 1.800 . 3.500 2.645 2.603 2.748 . 0 0 "[ . 1 . 2]" 1
481 1 38 GLU QB 1 62 TYR QB 1.800 . 6.000 4.079 3.319 4.607 . 0 0 "[ . 1 . 2]" 1
482 1 38 GLU HB2 1 62 TYR QD 1.800 . 6.000 3.111 2.276 3.651 . 0 0 "[ . 1 . 2]" 1
483 1 38 GLU HB2 1 62 TYR QE 1.800 . 6.000 4.159 2.587 5.125 . 0 0 "[ . 1 . 2]" 1
484 1 38 GLU HB3 1 62 TYR QD 1.800 . 6.000 4.076 2.724 5.097 . 0 0 "[ . 1 . 2]" 1
485 1 38 GLU HB3 1 62 TYR QE 1.800 . 6.000 5.096 3.856 6.010 0.010 5 0 "[ . 1 . 2]" 1
486 1 38 GLU QG 1 62 TYR QD 1.800 . 6.000 3.237 2.182 5.454 . 0 0 "[ . 1 . 2]" 1
487 1 38 GLU QG 1 62 TYR QE 1.800 . 6.000 3.439 2.242 5.927 . 0 0 "[ . 1 . 2]" 1
488 1 38 GLU HG2 1 39 CYS H 1.800 . 6.000 4.541 3.872 5.002 . 0 0 "[ . 1 . 2]" 1
489 1 38 GLU HG3 1 39 CYS H 1.800 . 6.000 4.606 3.912 5.129 . 0 0 "[ . 1 . 2]" 1
490 1 39 CYS H 1 39 CYS HA 1.800 . 2.900 2.969 2.957 2.988 0.088 16 0 "[ . 1 . 2]" 1
491 1 41 MET H 1 41 MET HA 1.800 . 2.900 2.979 2.963 2.990 0.090 16 0 "[ . 1 . 2]" 1
492 1 41 MET H 1 41 MET QB 1.800 . 2.900 2.667 2.517 2.733 . 0 0 "[ . 1 . 2]" 1
493 1 41 MET H 1 41 MET QG 1.800 . 6.000 3.096 2.760 4.221 . 0 0 "[ . 1 . 2]" 1
494 1 41 MET H 1 42 ALA H 1.800 . 6.000 4.466 4.446 4.517 . 0 0 "[ . 1 . 2]" 1
495 1 41 MET HA 1 41 MET ME 1.800 . 6.000 3.605 2.435 4.423 . 0 0 "[ . 1 . 2]" 1
496 1 41 MET HA 1 42 ALA H 1.800 . 2.900 2.336 2.293 2.383 . 0 0 "[ . 1 . 2]" 1
497 1 41 MET HA 1 42 ALA MB 1.800 . 6.000 4.003 3.916 4.054 . 0 0 "[ . 1 . 2]" 1
498 1 41 MET HB2 1 41 MET ME 1.800 . 6.000 3.533 3.234 4.044 . 0 0 "[ . 1 . 2]" 1
499 1 41 MET HB2 1 42 ALA H 1.800 . 6.000 3.865 3.728 4.242 . 0 0 "[ . 1 . 2]" 1
500 1 41 MET HB2 1 43 PHE QE 1.800 . 6.000 3.168 2.429 3.769 . 0 0 "[ . 1 . 2]" 1
501 1 41 MET HB3 1 41 MET ME 1.800 . 6.000 2.719 2.082 4.244 . 0 0 "[ . 1 . 2]" 1
502 1 41 MET HB3 1 42 ALA H 1.800 . 6.000 2.728 2.563 3.083 . 0 0 "[ . 1 . 2]" 1
503 1 41 MET HB3 1 43 PHE QE 1.800 . 6.000 4.231 3.605 4.740 . 0 0 "[ . 1 . 2]" 1
504 1 41 MET QG 1 42 ALA H 1.800 . 6.000 3.917 2.936 4.566 . 0 0 "[ . 1 . 2]" 1
505 1 42 ALA H 1 42 ALA MB 1.800 . 2.900 2.183 2.100 2.304 . 0 0 "[ . 1 . 2]" 1
506 1 42 ALA H 1 43 PHE H 1.800 . 6.000 4.637 4.600 4.652 . 0 0 "[ . 1 . 2]" 1
507 1 42 ALA HA 1 43 PHE H 1.800 . 2.900 2.350 2.312 2.396 . 0 0 "[ . 1 . 2]" 1
508 1 42 ALA HA 1 43 PHE QD 1.800 . 6.000 3.422 3.140 3.719 . 0 0 "[ . 1 . 2]" 1
509 1 42 ALA MB 1 43 PHE H 1.800 . 3.500 2.726 2.528 2.878 . 0 0 "[ . 1 . 2]" 1
510 1 42 ALA MB 1 43 PHE HA 1.800 . 5.000 4.020 3.976 4.071 . 0 0 "[ . 1 . 2]" 1
511 1 43 PHE H 1 43 PHE HB2 1.800 . 3.500 2.474 2.458 2.496 . 0 0 "[ . 1 . 2]" 1
512 1 43 PHE H 1 43 PHE HB3 1.800 . 3.500 3.640 3.531 3.699 0.199 13 0 "[ . 1 . 2]" 1
513 1 43 PHE H 1 44 HIS H 1.800 . 6.000 4.517 4.511 4.531 . 0 0 "[ . 1 . 2]" 1
514 1 43 PHE H 1 45 ILE H 1.800 . 6.000 4.184 3.886 4.475 . 0 0 "[ . 1 . 2]" 1
515 1 43 PHE HA 1 43 PHE QD 1.800 . 3.500 2.900 2.783 2.976 . 0 0 "[ . 1 . 2]" 1
516 1 43 PHE HA 1 44 HIS H 1.800 . 2.900 2.344 2.311 2.379 . 0 0 "[ . 1 . 2]" 1
517 1 43 PHE QB 1 48 LEU QD 1.800 . 6.000 5.422 5.243 5.733 . 0 0 "[ . 1 . 2]" 1
518 1 43 PHE HB2 1 44 HIS H 1.800 . 6.000 3.954 3.889 4.142 . 0 0 "[ . 1 . 2]" 1
519 1 43 PHE HB3 1 44 HIS H 1.800 . 6.000 2.636 2.550 2.886 . 0 0 "[ . 1 . 2]" 1
520 1 43 PHE QD 1 48 LEU QD 1.800 . 6.000 6.014 5.702 6.066 0.066 18 0 "[ . 1 . 2]" 1
521 1 43 PHE HZ 1 63 CYS HB2 1.800 . 6.000 3.246 2.430 5.523 . 0 0 "[ . 1 . 2]" 1
522 1 43 PHE HZ 1 63 CYS HB3 1.800 . 6.000 3.099 2.300 4.414 . 0 0 "[ . 1 . 2]" 1
523 1 44 HIS H 1 44 HIS HB2 1.800 . 3.500 2.149 2.082 2.247 . 0 0 "[ . 1 . 2]" 1
524 1 44 HIS H 1 44 HIS HB3 1.800 . 3.500 3.470 3.379 3.544 0.044 10 0 "[ . 1 . 2]" 1
525 1 44 HIS H 1 45 ILE H 1.800 . 6.000 2.860 2.714 2.958 . 0 0 "[ . 1 . 2]" 1
526 1 44 HIS H 1 46 TYR H 1.800 . 6.000 4.868 4.747 4.997 . 0 0 "[ . 1 . 2]" 1
527 1 44 HIS H 1 47 CYS H 1.800 . 6.000 5.064 4.947 5.201 . 0 0 "[ . 1 . 2]" 1
528 1 44 HIS H 1 48 LEU QD 1.800 . 6.000 4.924 4.672 5.153 . 0 0 "[ . 1 . 2]" 1
529 1 44 HIS HA 1 45 ILE H 1.800 . 3.500 3.284 3.220 3.361 . 0 0 "[ . 1 . 2]" 1
530 1 44 HIS HA 1 45 ILE MG 1.800 . 6.000 4.805 4.612 4.985 . 0 0 "[ . 1 . 2]" 1
531 1 44 HIS HA 1 46 TYR H 1.800 . 6.000 3.186 3.012 3.335 . 0 0 "[ . 1 . 2]" 1
532 1 44 HIS HA 1 46 TYR QE 1.800 . 6.000 3.411 2.972 3.811 . 0 0 "[ . 1 . 2]" 1
533 1 44 HIS QB 1 44 HIS HD2 1.800 . 3.500 3.107 2.694 3.243 . 0 0 "[ . 1 . 2]" 1
534 1 44 HIS QB 1 45 ILE H 1.800 . 6.000 3.465 3.323 3.554 . 0 0 "[ . 1 . 2]" 1
535 1 44 HIS QB 1 45 ILE MG 1.800 . 6.000 4.272 4.136 4.389 . 0 0 "[ . 1 . 2]" 1
536 1 44 HIS QB 1 46 TYR H 1.800 . 6.000 4.310 4.152 4.436 . 0 0 "[ . 1 . 2]" 1
537 1 44 HIS QB 1 46 TYR QD 1.800 . 6.000 5.168 4.707 5.406 . 0 0 "[ . 1 . 2]" 1
538 1 44 HIS QB 1 47 CYS H 1.800 . 3.500 3.531 3.375 3.629 0.129 17 0 "[ . 1 . 2]" 1
539 1 44 HIS QB 1 47 CYS HB2 1.800 . 6.000 2.732 2.313 3.634 . 0 0 "[ . 1 . 2]" 1
540 1 44 HIS QB 1 47 CYS HB3 1.800 . 6.000 3.573 2.232 4.079 . 0 0 "[ . 1 . 2]" 1
541 1 44 HIS HD1 1 48 LEU QB 1.800 . 6.000 5.473 5.091 5.790 . 0 0 "[ . 1 . 2]" 1
542 1 45 ILE H 1 45 ILE HB 1.800 . 3.500 3.612 3.586 3.634 0.134 3 0 "[ . 1 . 2]" 1
543 1 45 ILE H 1 45 ILE MD 1.800 . 6.000 3.960 3.776 4.084 . 0 0 "[ . 1 . 2]" 1
544 1 45 ILE H 1 45 ILE HG12 1.800 . 6.000 3.105 2.796 3.447 . 0 0 "[ . 1 . 2]" 1
545 1 45 ILE H 1 45 ILE HG13 1.800 . 6.000 2.506 2.189 2.736 . 0 0 "[ . 1 . 2]" 1
546 1 45 ILE H 1 45 ILE MG 1.800 . 2.900 1.994 1.849 2.198 . 0 0 "[ . 1 . 2]" 1
547 1 45 ILE H 1 46 TYR H 1.800 . 3.500 2.868 2.746 2.926 . 0 0 "[ . 1 . 2]" 1
548 1 45 ILE H 1 47 CYS H 1.800 . 6.000 4.069 3.924 4.171 . 0 0 "[ . 1 . 2]" 1
549 1 45 ILE HA 1 45 ILE MD 1.800 . 6.000 3.671 3.431 3.888 . 0 0 "[ . 1 . 2]" 1
550 1 45 ILE HA 1 45 ILE MG 1.800 . 3.500 2.364 2.251 2.462 . 0 0 "[ . 1 . 2]" 1
551 1 45 ILE HA 1 46 TYR H 1.800 . 3.500 3.493 3.443 3.519 0.019 9 0 "[ . 1 . 2]" 1
552 1 45 ILE HA 1 47 CYS H 1.800 . 6.000 4.494 4.389 4.580 . 0 0 "[ . 1 . 2]" 1
553 1 45 ILE HA 1 48 LEU QD 1.800 . 3.500 3.186 2.431 3.506 0.006 10 0 "[ . 1 . 2]" 1
554 1 45 ILE HA 1 52 LEU HG 1.800 . 6.000 5.258 5.011 5.519 . 0 0 "[ . 1 . 2]" 1
555 1 45 ILE HB 1 45 ILE MD 1.800 . 3.500 2.141 2.115 2.175 . 0 0 "[ . 1 . 2]" 1
556 1 45 ILE HB 1 46 TYR H 1.800 . 6.000 3.998 3.854 4.223 . 0 0 "[ . 1 . 2]" 1
557 1 45 ILE HB 1 52 LEU H 1.800 . 6.000 5.923 5.672 6.014 0.014 3 0 "[ . 1 . 2]" 1
558 1 45 ILE HB 1 52 LEU HB2 1.800 . 6.000 5.828 5.598 6.022 0.022 17 0 "[ . 1 . 2]" 1
559 1 45 ILE HB 1 52 LEU QB 1.800 . 6.000 5.272 5.154 5.365 . 0 0 "[ . 1 . 2]" 1
560 1 45 ILE HB 1 52 LEU HB3 1.800 . 6.000 6.021 5.925 6.061 0.061 12 0 "[ . 1 . 2]" 1
561 1 45 ILE MD 1 46 TYR H 1.800 . 6.000 3.074 2.672 3.398 . 0 0 "[ . 1 . 2]" 1
562 1 45 ILE MD 1 46 TYR QB 1.800 . 3.500 2.350 2.117 2.671 . 0 0 "[ . 1 . 2]" 1
563 1 45 ILE MD 1 46 TYR QD 1.800 . 3.500 3.370 2.894 3.527 0.027 16 0 "[ . 1 . 2]" 1
564 1 45 ILE MD 1 55 VAL HA 1.800 . 6.000 5.338 4.711 5.940 . 0 0 "[ . 1 . 2]" 1
565 1 45 ILE MD 1 55 VAL QG 1.800 . 6.000 3.497 2.842 4.098 . 0 0 "[ . 1 . 2]" 1
566 1 45 ILE QG 1 45 ILE MG 1.800 . 3.500 1.949 1.858 2.075 . 0 0 "[ . 1 . 2]" 1
567 1 45 ILE QG 1 46 TYR H 1.800 . 2.900 2.005 1.858 2.218 . 0 0 "[ . 1 . 2]" 1
568 1 45 ILE QG 1 46 TYR QB 1.800 . 6.000 2.942 2.755 3.238 . 0 0 "[ . 1 . 2]" 1
569 1 45 ILE QG 1 46 TYR QD 1.800 . 3.500 2.460 2.262 3.084 . 0 0 "[ . 1 . 2]" 1
570 1 45 ILE QG 1 55 VAL QG 1.800 . 6.000 5.086 4.278 5.634 . 0 0 "[ . 1 . 2]" 1
571 1 45 ILE MG 1 46 TYR H 1.800 . 6.000 3.904 3.726 4.048 . 0 0 "[ . 1 . 2]" 1
572 1 45 ILE MG 1 46 TYR QD 1.800 . 6.000 4.583 4.046 5.097 . 0 0 "[ . 1 . 2]" 1
573 1 45 ILE MG 1 48 LEU QB 1.800 . 6.000 5.786 5.430 6.008 0.008 11 0 "[ . 1 . 2]" 1
574 1 46 TYR H 1 46 TYR HA 1.800 . 2.900 2.981 2.971 2.990 0.090 10 0 "[ . 1 . 2]" 1
575 1 46 TYR H 1 47 CYS H 1.800 . 2.900 2.081 1.961 2.183 . 0 0 "[ . 1 . 2]" 1
576 1 46 TYR H 1 48 LEU H 1.800 . 6.000 3.876 3.781 3.965 . 0 0 "[ . 1 . 2]" 1
577 1 46 TYR HA 1 48 LEU H 1.800 . 6.000 3.777 3.398 4.074 . 0 0 "[ . 1 . 2]" 1
578 1 46 TYR HB2 1 46 TYR QD 1.800 . 3.500 2.357 2.306 2.383 . 0 0 "[ . 1 . 2]" 1
579 1 46 TYR HB3 1 46 TYR QD 1.800 . 3.500 2.483 2.437 2.584 . 0 0 "[ . 1 . 2]" 1
580 1 47 CYS H 1 47 CYS HA 1.800 . 2.900 2.885 2.860 2.911 0.011 12 0 "[ . 1 . 2]" 1
581 1 47 CYS H 1 48 LEU H 1.800 . 2.900 2.580 2.507 2.628 . 0 0 "[ . 1 . 2]" 1
582 1 47 CYS H 1 48 LEU QB 1.800 . 6.000 4.745 4.691 4.820 . 0 0 "[ . 1 . 2]" 1
583 1 47 CYS H 1 48 LEU QD 1.800 . 6.000 4.233 4.001 4.396 . 0 0 "[ . 1 . 2]" 1
584 1 47 CYS HA 1 48 LEU H 1.800 . 3.500 3.462 3.319 3.508 0.008 8 0 "[ . 1 . 2]" 1
585 1 47 CYS HB2 1 48 LEU H 1.800 . 6.000 3.258 2.850 4.101 . 0 0 "[ . 1 . 2]" 1
586 1 47 CYS HB3 1 48 LEU H 1.800 . 6.000 3.699 2.985 3.970 . 0 0 "[ . 1 . 2]" 1
587 1 48 LEU H 1 48 LEU HA 1.800 . 2.900 2.903 2.881 2.930 0.030 16 0 "[ . 1 . 2]" 1
588 1 48 LEU H 1 48 LEU HB2 1.800 . 3.500 2.562 2.518 2.642 . 0 0 "[ . 1 . 2]" 1
589 1 48 LEU H 1 48 LEU HB3 1.800 . 3.500 3.612 3.594 3.632 0.132 16 0 "[ . 1 . 2]" 1
590 1 48 LEU H 1 48 LEU MD1 1.800 . 6.000 3.604 3.532 3.681 . 0 0 "[ . 1 . 2]" 1
591 1 48 LEU H 1 48 LEU MD2 1.800 . 6.000 3.040 2.838 3.182 . 0 0 "[ . 1 . 2]" 1
592 1 48 LEU H 1 48 LEU HG 1.800 . 6.000 2.043 1.872 2.175 . 0 0 "[ . 1 . 2]" 1
593 1 48 LEU H 1 49 ASP H 1.800 . 6.000 4.632 4.599 4.653 . 0 0 "[ . 1 . 2]" 1
594 1 48 LEU HA 1 49 ASP H 1.800 . 3.500 2.254 2.240 2.280 . 0 0 "[ . 1 . 2]" 1
595 1 48 LEU QB 1 51 PRO HA 1.800 . 6.000 4.907 4.431 5.325 . 0 0 "[ . 1 . 2]" 1
596 1 48 LEU HB2 1 48 LEU MD2 1.800 . 3.500 3.193 3.190 3.195 . 0 0 "[ . 1 . 2]" 1
597 1 48 LEU HB2 1 49 ASP H 1.800 . 6.000 3.952 3.901 4.013 . 0 0 "[ . 1 . 2]" 1
598 1 48 LEU HB3 1 48 LEU MD1 1.800 . 3.500 2.369 2.234 2.414 . 0 0 "[ . 1 . 2]" 1
599 1 48 LEU HB3 1 49 ASP H 1.800 . 6.000 3.049 2.948 3.199 . 0 0 "[ . 1 . 2]" 1
600 1 48 LEU MD1 1 49 ASP H 1.800 . 6.000 4.876 4.784 5.015 . 0 0 "[ . 1 . 2]" 1
601 1 48 LEU MD2 1 49 ASP H 1.800 . 6.000 3.571 3.457 3.793 . 0 0 "[ . 1 . 2]" 1
602 1 49 ASP H 1 49 ASP HA 1.800 . 2.900 2.789 2.767 2.817 . 0 0 "[ . 1 . 2]" 1
603 1 49 ASP HA 1 50 PRO HA 1.800 . 6.000 4.866 4.796 4.925 . 0 0 "[ . 1 . 2]" 1
604 1 49 ASP HA 1 50 PRO HD2 1.800 . 6.000 3.848 3.745 4.054 . 0 0 "[ . 1 . 2]" 1
605 1 49 ASP HA 1 50 PRO HD3 1.800 . 6.000 4.074 3.830 4.236 . 0 0 "[ . 1 . 2]" 1
606 1 50 PRO HA 1 50 PRO HD2 1.800 . 6.000 4.041 3.947 4.091 . 0 0 "[ . 1 . 2]" 1
607 1 50 PRO HA 1 50 PRO HD3 1.800 . 6.000 3.510 3.384 3.663 . 0 0 "[ . 1 . 2]" 1
608 1 50 PRO HA 1 50 PRO QG 1.800 . 3.500 3.364 2.989 3.504 0.004 16 0 "[ . 1 . 2]" 1
609 1 51 PRO HA 1 52 LEU H 1.800 . 3.500 2.377 2.359 2.384 . 0 0 "[ . 1 . 2]" 1
610 1 51 PRO HA 1 52 LEU QB 1.800 . 6.000 4.679 4.662 4.698 . 0 0 "[ . 1 . 2]" 1
611 1 51 PRO HA 1 52 LEU QD 1.800 . 3.500 3.545 3.527 3.554 0.054 10 0 "[ . 1 . 2]" 1
612 1 51 PRO HA 1 52 LEU HG 1.800 . 3.500 3.573 3.552 3.594 0.094 9 0 "[ . 1 . 2]" 1
613 1 51 PRO HB2 1 51 PRO QD 1.800 . 3.500 3.552 3.549 3.554 0.054 5 0 "[ . 1 . 2]" 1
614 1 51 PRO HB3 1 51 PRO QD 1.800 . 3.500 3.084 3.064 3.102 . 0 0 "[ . 1 . 2]" 1
615 1 52 LEU H 1 52 LEU HA 1.800 . 2.900 2.929 2.922 2.941 0.041 3 0 "[ . 1 . 2]" 1
616 1 52 LEU H 1 52 LEU QB 1.800 . 2.900 2.543 2.527 2.557 . 0 0 "[ . 1 . 2]" 1
617 1 52 LEU H 1 52 LEU MD1 1.800 . 6.000 3.154 2.169 3.692 . 0 0 "[ . 1 . 2]" 1
618 1 52 LEU H 1 52 LEU MD2 1.800 . 6.000 3.267 2.918 3.915 . 0 0 "[ . 1 . 2]" 1
619 1 52 LEU H 1 52 LEU HG 1.800 . 2.900 2.157 2.011 2.402 . 0 0 "[ . 1 . 2]" 1
620 1 52 LEU H 1 53 SER H 1.800 . 6.000 4.626 4.592 4.648 . 0 0 "[ . 1 . 2]" 1
621 1 52 LEU HA 1 52 LEU MD1 1.800 . 6.000 3.781 3.771 3.791 . 0 0 "[ . 1 . 2]" 1
622 1 52 LEU HA 1 52 LEU MD2 1.800 . 6.000 2.374 2.046 3.016 . 0 0 "[ . 1 . 2]" 1
623 1 52 LEU HA 1 52 LEU HG 1.800 . 3.500 2.999 2.529 3.246 . 0 0 "[ . 1 . 2]" 1
624 1 52 LEU QB 1 54 SER H 1.800 . 3.500 2.938 2.786 3.141 . 0 0 "[ . 1 . 2]" 1
625 1 52 LEU HB2 1 52 LEU MD2 1.800 . 3.500 3.102 2.914 3.192 . 0 0 "[ . 1 . 2]" 1
626 1 52 LEU HB2 1 53 SER H 1.800 . 6.000 3.901 3.775 4.038 . 0 0 "[ . 1 . 2]" 1
627 1 52 LEU HB2 1 54 SER H 1.800 . 6.000 3.666 3.387 3.994 . 0 0 "[ . 1 . 2]" 1
628 1 52 LEU HB3 1 52 LEU MD2 1.800 . 3.500 2.260 2.110 2.347 . 0 0 "[ . 1 . 2]" 1
629 1 52 LEU HB3 1 53 SER H 1.800 . 6.000 3.049 2.882 3.243 . 0 0 "[ . 1 . 2]" 1
630 1 52 LEU HB3 1 54 SER H 1.800 . 6.000 3.094 2.964 3.286 . 0 0 "[ . 1 . 2]" 1
631 1 52 LEU QD 1 54 SER H 1.800 . 6.000 4.201 4.086 4.397 . 0 0 "[ . 1 . 2]" 1
632 1 52 LEU QD 1 56 PRO QB 1.800 . 6.000 6.003 5.899 6.032 0.032 13 0 "[ . 1 . 2]" 1
633 1 52 LEU QD 1 56 PRO HD2 1.800 . 6.000 4.124 3.904 4.445 . 0 0 "[ . 1 . 2]" 1
634 1 52 LEU QD 1 56 PRO HD3 1.800 . 6.000 4.166 4.079 4.260 . 0 0 "[ . 1 . 2]" 1
635 1 52 LEU HG 1 53 SER H 1.800 . 6.000 4.998 4.652 5.219 . 0 0 "[ . 1 . 2]" 1
636 1 53 SER H 1 53 SER HA 1.800 . 2.900 2.872 2.868 2.877 . 0 0 "[ . 1 . 2]" 1
637 1 53 SER H 1 53 SER QB 1.800 . 2.900 2.444 2.275 2.538 . 0 0 "[ . 1 . 2]" 1
638 1 53 SER H 1 54 SER H 1.800 . 2.900 2.624 2.576 2.650 . 0 0 "[ . 1 . 2]" 1
639 1 53 SER HA 1 54 SER H 1.800 . 3.500 3.532 3.517 3.546 0.046 5 0 "[ . 1 . 2]" 1
640 1 53 SER QB 1 54 SER H 1.800 . 2.900 2.641 2.550 2.687 . 0 0 "[ . 1 . 2]" 1
641 1 54 SER H 1 54 SER HA 1.800 . 2.900 2.961 2.939 2.986 0.086 16 0 "[ . 1 . 2]" 1
642 1 54 SER H 1 55 VAL H 1.800 . 6.000 4.400 4.347 4.463 . 0 0 "[ . 1 . 2]" 1
643 1 54 SER HA 1 55 VAL H 1.800 . 2.900 2.311 2.257 2.389 . 0 0 "[ . 1 . 2]" 1
644 1 54 SER HA 1 55 VAL QG 1.800 . 6.000 3.564 3.143 4.056 . 0 0 "[ . 1 . 2]" 1
645 1 54 SER QB 1 55 VAL H 1.800 . 3.500 3.056 2.608 3.571 0.071 20 0 "[ . 1 . 2]" 1
646 1 54 SER QB 1 55 VAL QG 1.800 . 6.000 4.318 3.834 4.684 . 0 0 "[ . 1 . 2]" 1
647 1 55 VAL H 1 55 VAL HA 1.800 . 2.900 2.978 2.964 2.983 0.083 10 0 "[ . 1 . 2]" 1
648 1 55 VAL H 1 55 VAL HB 1.800 . 3.500 2.736 2.380 3.364 . 0 0 "[ . 1 . 2]" 1
649 1 55 VAL H 1 55 VAL QG 1.800 . 3.500 2.413 1.880 3.061 . 0 0 "[ . 1 . 2]" 1
650 1 55 VAL H 1 56 PRO QD 1.800 . 6.000 4.291 4.182 4.402 . 0 0 "[ . 1 . 2]" 1
651 1 55 VAL HA 1 55 VAL MG1 1.800 . 3.500 2.604 2.174 3.188 . 0 0 "[ . 1 . 2]" 1
652 1 55 VAL HA 1 55 VAL MG2 1.800 . 3.500 2.361 2.191 2.589 . 0 0 "[ . 1 . 2]" 1
653 1 55 VAL HA 1 56 PRO QD 1.800 . 3.500 2.042 2.033 2.070 . 0 0 "[ . 1 . 2]" 1
654 1 55 VAL QG 1 56 PRO QD 1.800 . 3.500 2.151 1.996 2.266 . 0 0 "[ . 1 . 2]" 1
655 1 55 VAL QG 1 56 PRO QG 1.800 . 3.500 3.418 3.215 3.521 0.021 7 0 "[ . 1 . 2]" 1
656 1 55 VAL QG 1 57 SER H 1.800 . 6.000 4.534 4.097 5.164 . 0 0 "[ . 1 . 2]" 1
657 1 56 PRO HA 1 57 SER H 1.800 . 2.900 2.217 2.200 2.222 . 0 0 "[ . 1 . 2]" 1
658 1 56 PRO QB 1 56 PRO QD 1.800 . 3.500 2.848 2.828 2.866 . 0 0 "[ . 1 . 2]" 1
659 1 56 PRO HB2 1 57 SER H 1.800 . 6.000 3.538 3.475 3.585 . 0 0 "[ . 1 . 2]" 1
660 1 56 PRO HB3 1 57 SER H 1.800 . 6.000 4.026 3.966 4.061 . 0 0 "[ . 1 . 2]" 1
661 1 56 PRO QG 1 61 TRP HD1 1.800 . 6.000 5.651 4.931 6.017 0.017 6 0 "[ . 1 . 2]" 1
662 1 57 SER H 1 57 SER HA 1.800 . 2.900 2.984 2.967 2.990 0.090 13 0 "[ . 1 . 2]" 1
663 1 57 SER H 1 57 SER QB 1.800 . 2.900 2.482 2.228 2.771 . 0 0 "[ . 1 . 2]" 1
664 1 58 GLU H 1 59 ASP H 1.800 . 6.000 2.634 2.582 2.725 . 0 0 "[ . 1 . 2]" 1
665 1 58 GLU HA 1 59 ASP H 1.800 . 3.500 3.540 3.529 3.548 0.048 12 0 "[ . 1 . 2]" 1
666 1 58 GLU HB2 1 59 ASP H 1.800 . 6.000 2.922 2.646 3.871 . 0 0 "[ . 1 . 2]" 1
667 1 58 GLU HB3 1 59 ASP H 1.800 . 6.000 3.477 2.551 3.750 . 0 0 "[ . 1 . 2]" 1
668 1 59 ASP H 1 59 ASP HA 1.800 . 2.900 2.951 2.921 2.972 0.072 9 0 "[ . 1 . 2]" 1
669 1 59 ASP H 1 60 GLU H 1.800 . 6.000 4.494 4.391 4.623 . 0 0 "[ . 1 . 2]" 1
670 1 59 ASP HA 1 60 GLU H 1.800 . 3.500 2.239 2.189 2.471 . 0 0 "[ . 1 . 2]" 1
671 1 59 ASP HB2 1 60 GLU H 1.800 . 6.000 4.170 2.413 4.468 . 0 0 "[ . 1 . 2]" 1
672 1 59 ASP HB3 1 60 GLU H 1.800 . 6.000 3.633 2.801 4.326 . 0 0 "[ . 1 . 2]" 1
673 1 60 GLU H 1 60 GLU HA 1.800 . 2.900 2.904 2.837 2.980 0.080 5 0 "[ . 1 . 2]" 1
674 1 60 GLU H 1 60 GLU QB 1.800 . 3.500 2.478 2.440 2.518 . 0 0 "[ . 1 . 2]" 1
675 1 60 GLU H 1 60 GLU QG 1.800 . 2.900 2.251 2.044 2.558 . 0 0 "[ . 1 . 2]" 1
676 1 60 GLU H 1 61 TRP H 1.800 . 6.000 4.634 4.555 4.677 . 0 0 "[ . 1 . 2]" 1
677 1 60 GLU HA 1 60 GLU HG2 1.800 . 3.500 2.467 2.448 2.508 . 0 0 "[ . 1 . 2]" 1
678 1 60 GLU HA 1 60 GLU HG3 1.800 . 3.500 3.082 2.969 3.127 . 0 0 "[ . 1 . 2]" 1
679 1 60 GLU HA 1 61 TRP H 1.800 . 3.500 2.289 2.262 2.318 . 0 0 "[ . 1 . 2]" 1
680 1 60 GLU HA 1 62 TYR QE 1.800 . 6.000 5.260 4.724 5.919 . 0 0 "[ . 1 . 2]" 1
681 1 60 GLU QB 1 61 TRP H 1.800 . 6.000 2.867 2.777 2.946 . 0 0 "[ . 1 . 2]" 1
682 1 60 GLU QB 1 62 TYR QE 1.800 . 6.000 2.916 2.333 3.680 . 0 0 "[ . 1 . 2]" 1
683 1 60 GLU QG 1 61 TRP H 1.800 . 6.000 4.057 3.976 4.118 . 0 0 "[ . 1 . 2]" 1
684 1 61 TRP H 1 61 TRP HD1 1.800 . 6.000 3.052 2.385 3.531 . 0 0 "[ . 1 . 2]" 1
685 1 61 TRP H 1 62 TYR H 1.800 . 6.000 4.532 4.490 4.598 . 0 0 "[ . 1 . 2]" 1
686 1 61 TRP HA 1 61 TRP HD1 1.800 . 6.000 4.450 4.225 4.636 . 0 0 "[ . 1 . 2]" 1
687 1 61 TRP HA 1 62 TYR H 1.800 . 2.900 2.227 2.193 2.288 . 0 0 "[ . 1 . 2]" 1
688 1 61 TRP HB2 1 61 TRP HE3 1.800 . 3.500 2.573 2.479 2.704 . 0 0 "[ . 1 . 2]" 1
689 1 61 TRP HB2 1 62 TYR H 1.800 . 6.000 3.528 3.171 3.764 . 0 0 "[ . 1 . 2]" 1
690 1 61 TRP HB3 1 62 TYR H 1.800 . 6.000 4.412 4.281 4.499 . 0 0 "[ . 1 . 2]" 1
691 1 61 TRP HE3 1 63 CYS HA 1.800 . 6.000 4.632 4.266 4.766 . 0 0 "[ . 1 . 2]" 1
692 1 61 TRP HZ2 1 63 CYS HA 1.800 . 3.500 3.235 3.145 3.465 . 0 0 "[ . 1 . 2]" 1
693 1 61 TRP HZ2 1 64 PRO QD 1.800 . 6.000 4.076 3.935 4.316 . 0 0 "[ . 1 . 2]" 1
694 1 61 TRP HZ3 1 63 CYS HA 1.800 . 3.500 3.474 3.217 3.531 0.031 8 0 "[ . 1 . 2]" 1
695 1 61 TRP HZ3 1 63 CYS QB 1.800 . 6.000 5.051 4.683 5.303 . 0 0 "[ . 1 . 2]" 1
696 1 61 TRP HZ3 1 64 PRO QD 1.800 . 5.000 3.082 2.708 3.599 . 0 0 "[ . 1 . 2]" 1
697 1 62 TYR H 1 62 TYR HA 1.800 . 2.900 2.987 2.985 2.990 0.090 6 0 "[ . 1 . 2]" 1
698 1 62 TYR H 1 62 TYR HB2 1.800 . 3.500 2.630 2.567 2.693 . 0 0 "[ . 1 . 2]" 1
699 1 62 TYR H 1 63 CYS H 1.800 . 6.000 4.472 4.420 4.506 . 0 0 "[ . 1 . 2]" 1
700 1 62 TYR H 1 67 ARG QG 1.800 . 6.000 4.905 4.264 5.831 . 0 0 "[ . 1 . 2]" 1
701 1 62 TYR HA 1 62 TYR QE 1.800 . 6.000 4.562 4.446 4.633 . 0 0 "[ . 1 . 2]" 1
702 1 62 TYR HA 1 63 CYS H 1.800 . 2.900 2.250 2.215 2.294 . 0 0 "[ . 1 . 2]" 1
703 1 62 TYR QB 1 66 CYS HA 1.800 . 6.000 5.052 4.584 5.991 . 0 0 "[ . 1 . 2]" 1
704 1 62 TYR QB 1 66 CYS QB 1.800 . 6.000 2.562 2.022 4.022 . 0 0 "[ . 1 . 2]" 1
705 1 62 TYR QB 1 67 ARG QG 1.800 . 6.000 2.795 2.142 3.677 . 0 0 "[ . 1 . 2]" 1
706 1 62 TYR HB2 1 62 TYR QD 1.800 . 3.500 2.357 2.303 2.402 . 0 0 "[ . 1 . 2]" 1
707 1 62 TYR HB2 1 67 ARG HA 1.800 . 6.000 5.106 4.397 5.587 . 0 0 "[ . 1 . 2]" 1
708 1 62 TYR HB3 1 62 TYR QD 1.800 . 3.500 2.483 2.417 2.623 . 0 0 "[ . 1 . 2]" 1
709 1 62 TYR HB3 1 67 ARG HA 1.800 . 6.000 5.012 4.403 5.723 . 0 0 "[ . 1 . 2]" 1
710 1 62 TYR QD 1 67 ARG HA 1.800 . 6.000 5.886 5.399 6.090 0.090 11 0 "[ . 1 . 2]" 1
711 1 62 TYR QE 1 66 CYS QB 1.800 . 6.000 5.216 4.689 5.790 . 0 0 "[ . 1 . 2]" 1
712 1 63 CYS H 1 63 CYS HA 1.800 . 2.900 2.877 2.843 2.930 0.030 7 0 "[ . 1 . 2]" 1
713 1 63 CYS H 1 63 CYS HB2 1.800 . 3.500 3.295 2.816 3.600 0.100 3 0 "[ . 1 . 2]" 1
714 1 63 CYS H 1 63 CYS HB3 1.800 . 3.500 2.975 2.381 3.575 0.075 16 0 "[ . 1 . 2]" 1
715 1 63 CYS H 1 64 PRO QD 1.800 . 6.000 4.434 4.409 4.469 . 0 0 "[ . 1 . 2]" 1
716 1 63 CYS H 1 66 CYS H 1.800 . 6.000 4.051 3.784 4.528 . 0 0 "[ . 1 . 2]" 1
717 1 63 CYS H 1 66 CYS QB 1.800 . 6.000 3.342 2.322 4.936 . 0 0 "[ . 1 . 2]" 1
718 1 63 CYS H 1 67 ARG H 1.800 . 6.000 5.115 4.677 5.563 . 0 0 "[ . 1 . 2]" 1
719 1 63 CYS HA 1 64 PRO QD 1.800 . 3.500 2.114 2.084 2.148 . 0 0 "[ . 1 . 2]" 1
720 1 63 CYS HA 1 64 PRO HG2 1.800 . 6.000 4.565 4.468 4.746 . 0 0 "[ . 1 . 2]" 1
721 1 63 CYS HA 1 64 PRO HG3 1.800 . 6.000 4.500 4.381 4.612 . 0 0 "[ . 1 . 2]" 1
722 1 63 CYS QB 1 64 PRO HD2 1.800 . 3.500 2.224 2.183 2.273 . 0 0 "[ . 1 . 2]" 1
723 1 63 CYS QB 1 64 PRO HD3 1.800 . 3.500 3.415 3.026 3.592 0.092 8 0 "[ . 1 . 2]" 1
724 1 63 CYS QB 1 67 ARG HE 1.800 . 6.000 5.494 4.380 6.052 0.052 8 0 "[ . 1 . 2]" 1
725 1 64 PRO HA 1 64 PRO QD 1.800 . 3.500 3.266 3.191 3.353 . 0 0 "[ . 1 . 2]" 1
726 1 64 PRO HA 1 64 PRO QG 1.800 . 3.500 3.296 2.993 3.494 . 0 0 "[ . 1 . 2]" 1
727 1 64 PRO HA 1 65 GLU H 1.800 . 3.500 3.520 3.480 3.550 0.050 9 0 "[ . 1 . 2]" 1
728 1 64 PRO HA 1 66 CYS H 1.800 . 6.000 4.409 4.197 4.594 . 0 0 "[ . 1 . 2]" 1
729 1 64 PRO HA 1 67 ARG QB 1.800 . 6.000 2.738 2.248 3.261 . 0 0 "[ . 1 . 2]" 1
730 1 64 PRO HA 1 67 ARG QD 1.800 . 6.000 3.706 2.597 4.729 . 0 0 "[ . 1 . 2]" 1
731 1 64 PRO QB 1 64 PRO QD 1.800 . 3.500 2.878 2.835 2.933 . 0 0 "[ . 1 . 2]" 1
732 1 64 PRO QB 1 65 GLU H 1.800 . 3.500 3.020 2.716 3.386 . 0 0 "[ . 1 . 2]" 1
733 1 64 PRO QD 1 65 GLU H 1.800 . 3.500 2.958 2.841 3.086 . 0 0 "[ . 1 . 2]" 1
734 1 64 PRO QD 1 65 GLU QB 1.800 . 6.000 4.468 4.202 4.942 . 0 0 "[ . 1 . 2]" 1
735 1 64 PRO QD 1 66 CYS H 1.800 . 6.000 4.639 4.224 5.075 . 0 0 "[ . 1 . 2]" 1
736 1 65 GLU H 1 65 GLU HA 1.800 . 2.900 2.874 2.856 2.906 0.006 20 0 "[ . 1 . 2]" 1
737 1 65 GLU H 1 65 GLU QB 1.800 . 2.900 2.377 2.272 2.582 . 0 0 "[ . 1 . 2]" 1
738 1 65 GLU H 1 65 GLU QG 1.800 . 6.000 3.248 1.827 4.058 . 0 0 "[ . 1 . 2]" 1
739 1 65 GLU H 1 66 CYS QB 1.800 . 6.000 4.673 4.154 5.287 . 0 0 "[ . 1 . 2]" 1
740 1 65 GLU HA 1 66 CYS H 1.800 . 3.500 3.544 3.512 3.578 0.078 6 0 "[ . 1 . 2]" 1
741 1 65 GLU HA 1 67 ARG H 1.800 . 6.000 4.336 3.844 4.655 . 0 0 "[ . 1 . 2]" 1
742 1 65 GLU QB 1 66 CYS H 1.800 . 3.500 2.485 2.326 2.546 . 0 0 "[ . 1 . 2]" 1
743 1 65 GLU QB 1 67 ARG H 1.800 . 6.000 4.649 4.398 4.874 . 0 0 "[ . 1 . 2]" 1
744 1 65 GLU QG 1 66 CYS H 1.800 . 3.500 3.639 3.544 3.739 0.239 14 0 "[ . 1 . 2]" 1
745 1 66 CYS H 1 66 CYS HA 1.800 . 2.900 2.862 2.830 2.913 0.013 11 0 "[ . 1 . 2]" 1
746 1 66 CYS H 1 66 CYS HB2 1.800 . 3.500 2.668 2.186 3.589 0.089 11 0 "[ . 1 . 2]" 1
747 1 66 CYS H 1 66 CYS HB3 1.800 . 3.500 3.385 2.902 3.563 0.063 10 0 "[ . 1 . 2]" 1
748 1 66 CYS H 1 67 ARG QB 1.800 . 6.000 4.646 4.456 4.776 . 0 0 "[ . 1 . 2]" 1
749 1 66 CYS H 1 67 ARG QG 1.800 . 6.000 4.385 3.726 5.682 . 0 0 "[ . 1 . 2]" 1
750 1 66 CYS HA 1 67 ARG H 1.800 . 3.500 3.522 3.476 3.551 0.051 5 0 "[ . 1 . 2]" 1
751 1 66 CYS HA 1 68 ASN H 1.800 . 6.000 4.123 3.776 4.334 . 0 0 "[ . 1 . 2]" 1
752 1 66 CYS QB 1 67 ARG H 1.800 . 5.000 2.864 2.454 3.538 . 0 0 "[ . 1 . 2]" 1
753 1 66 CYS QB 1 67 ARG HE 1.800 . 3.500 3.284 2.033 3.725 0.225 12 0 "[ . 1 . 2]" 1
754 1 66 CYS QB 1 68 ASN H 1.800 . 6.000 4.640 4.426 4.920 . 0 0 "[ . 1 . 2]" 1
755 1 67 ARG H 1 67 ARG HA 1.800 . 2.900 2.876 2.859 2.952 0.052 10 0 "[ . 1 . 2]" 1
756 1 67 ARG H 1 67 ARG HB2 1.800 . 3.500 2.420 2.231 2.557 . 0 0 "[ . 1 . 2]" 1
757 1 67 ARG H 1 67 ARG HB3 1.800 . 3.500 3.586 3.543 3.631 0.131 10 0 "[ . 1 . 2]" 1
758 1 67 ARG H 1 67 ARG QD 1.800 . 6.000 3.593 1.796 4.060 0.004 18 0 "[ . 1 . 2]" 1
759 1 67 ARG H 1 67 ARG HG2 1.800 . 5.000 3.123 1.951 4.050 . 0 0 "[ . 1 . 2]" 1
760 1 67 ARG H 1 67 ARG HG3 1.800 . 5.000 2.893 1.922 3.884 . 0 0 "[ . 1 . 2]" 1
761 1 67 ARG H 1 68 ASN H 1.800 . 2.900 2.584 2.411 2.636 . 0 0 "[ . 1 . 2]" 1
762 1 67 ARG H 1 68 ASN HD21 1.800 . 6.000 5.522 4.245 6.026 0.026 10 0 "[ . 1 . 2]" 1
763 1 67 ARG HA 1 67 ARG QD 1.800 . 6.000 3.315 2.246 4.071 . 0 0 "[ . 1 . 2]" 1
764 1 67 ARG HA 1 67 ARG HE 1.800 . 6.000 3.877 2.378 5.093 . 0 0 "[ . 1 . 2]" 1
765 1 67 ARG HA 1 67 ARG QG 1.800 . 3.500 2.513 2.243 2.870 . 0 0 "[ . 1 . 2]" 1
766 1 67 ARG HA 1 68 ASN H 1.800 . 3.500 3.490 3.289 3.521 0.021 12 0 "[ . 1 . 2]" 1
767 1 67 ARG HA 1 69 ASP H 1.800 . 3.500 3.514 3.227 3.607 0.107 16 0 "[ . 1 . 2]" 1
768 1 67 ARG QB 1 68 ASN H 1.800 . 6.000 2.838 2.716 3.415 . 0 0 "[ . 1 . 2]" 1
769 1 67 ARG QB 1 69 ASP H 1.800 . 6.000 4.081 2.288 4.447 . 0 0 "[ . 1 . 2]" 1
770 1 67 ARG HB2 1 67 ARG QD 1.800 . 3.500 2.734 2.235 3.376 . 0 0 "[ . 1 . 2]" 1
771 1 67 ARG HB2 1 69 ASP H 1.800 . 6.000 4.556 2.685 5.052 . 0 0 "[ . 1 . 2]" 1
772 1 67 ARG HB3 1 67 ARG QD 1.800 . 3.500 2.543 2.209 3.329 . 0 0 "[ . 1 . 2]" 1
773 1 67 ARG HB3 1 69 ASP H 1.800 . 6.000 4.623 2.427 5.074 . 0 0 "[ . 1 . 2]" 1
774 1 67 ARG QG 1 68 ASN H 1.800 . 6.000 4.187 3.952 4.648 . 0 0 "[ . 1 . 2]" 1
775 1 67 ARG QG 1 69 ASP H 1.800 . 6.000 5.100 4.279 5.478 . 0 0 "[ . 1 . 2]" 1
776 1 68 ASN H 1 68 ASN HA 1.800 . 2.900 2.802 2.353 2.940 0.040 9 0 "[ . 1 . 2]" 1
777 1 68 ASN HA 1 69 ASP H 1.800 . 3.500 3.320 3.203 3.494 . 0 0 "[ . 1 . 2]" 1
778 1 68 ASN HD21 1 69 ASP H 1.800 . 6.000 5.116 3.442 5.974 . 0 0 "[ . 1 . 2]" 1
779 1 69 ASP H 1 69 ASP HA 1.800 . 2.900 2.827 2.348 2.967 0.067 18 0 "[ . 1 . 2]" 1
780 2 10 SER HA 2 11 THR H 1.800 . 3.500 2.601 2.244 3.537 0.037 13 0 "[ . 1 . 2]" 1
781 2 10 SER HB2 2 11 THR H 1.800 . 6.000 3.706 2.628 4.172 . 0 0 "[ . 1 . 2]" 1
782 2 10 SER HB3 2 11 THR H 1.800 . 6.000 3.736 2.734 3.990 . 0 0 "[ . 1 . 2]" 1
783 2 10 SER HG 2 11 THR H 1.800 . 6.000 3.606 1.934 5.119 . 0 0 "[ . 1 . 2]" 1
784 2 11 THR H 2 11 THR MG 1.800 . 6.000 2.930 2.064 3.893 . 0 0 "[ . 1 . 2]" 1
785 2 11 THR HA 2 11 THR MG 1.800 . 6.000 2.376 2.225 2.505 . 0 0 "[ . 1 . 2]" 1
786 2 11 THR HA 2 12 GLY H 1.800 . 3.500 2.623 2.243 3.553 0.053 13 0 "[ . 1 . 2]" 1
787 2 11 THR HB 2 12 GLY H 1.800 . 5.000 3.124 2.617 4.193 . 0 0 "[ . 1 . 2]" 1
788 2 11 THR MG 2 12 GLY H 1.800 . 5.000 3.604 2.119 4.169 . 0 0 "[ . 1 . 2]" 1
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