NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
449872 |
2pjf   |
5117 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2pjf
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 785
_Distance_constraint_stats_list.Viol_total 1678.009
_Distance_constraint_stats_list.Viol_max 0.845
_Distance_constraint_stats_list.Viol_rms 0.0432
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0053
_Distance_constraint_stats_list.Viol_average_violations_only 0.1069
_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 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLU 0.072 0.047 14 0 "[ . 1 . 2]"
1 4 CYS 1.108 0.121 4 0 "[ . 1 . 2]"
1 5 ASP 1.176 0.472 17 0 "[ . 1 . 2]"
1 6 CYS 0.451 0.102 17 0 "[ . 1 . 2]"
1 7 SER 0.451 0.102 17 0 "[ . 1 . 2]"
1 8 SER 0.138 0.040 17 0 "[ . 1 . 2]"
1 9 PRO 0.005 0.005 11 0 "[ . 1 . 2]"
1 10 GLU 0.261 0.073 9 0 "[ . 1 . 2]"
1 11 ASN 0.414 0.073 9 0 "[ . 1 . 2]"
1 12 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 CYS 1.203 0.136 12 0 "[ . 1 . 2]"
1 14 CYS 0.521 0.087 9 0 "[ . 1 . 2]"
1 15 ASP 0.847 0.087 9 0 "[ . 1 . 2]"
1 16 ALA 0.005 0.005 11 0 "[ . 1 . 2]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 THR 0.102 0.052 7 0 "[ . 1 . 2]"
1 19 CYS 0.602 0.121 4 0 "[ . 1 . 2]"
1 20 LYS 0.501 0.061 7 0 "[ . 1 . 2]"
1 21 LEU 1.364 0.472 17 0 "[ . 1 . 2]"
1 22 ARG 0.072 0.040 20 0 "[ . 1 . 2]"
1 23 PRO 0.077 0.040 20 0 "[ . 1 . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 1.763 0.165 12 0 "[ . 1 . 2]"
1 26 GLN 12.322 0.657 4 11 "[* *+* * * * .**-*2]"
1 27 CYS 1.030 0.097 4 0 "[ . 1 . 2]"
1 28 GLY 2.283 0.136 12 0 "[ . 1 . 2]"
1 29 GLU 3.552 0.668 20 1 "[ . 1 . +]"
1 30 GLY 3.629 0.668 20 1 "[ . 1 . +]"
1 31 LEU 32.778 0.845 1 20 [+***************-***]
1 32 CYS 15.482 0.780 19 19 "[****************- +*]"
1 33 CYS 1.736 0.097 4 0 "[ . 1 . 2]"
1 34 GLU 0.830 0.104 12 0 "[ . 1 . 2]"
1 35 GLN 0.827 0.104 12 0 "[ . 1 . 2]"
1 36 CYS 2.009 0.165 12 0 "[ . 1 . 2]"
1 37 LYS 0.203 0.040 12 0 "[ . 1 . 2]"
1 38 PHE 17.975 0.657 4 13 "[* *+** * * * .-****]"
1 39 SER 0.157 0.048 12 0 "[ . 1 . 2]"
1 40 ARG 0.542 0.083 20 0 "[ . 1 . 2]"
1 41 ALA 3.016 0.170 12 0 "[ . 1 . 2]"
1 42 GLY 0.379 0.091 3 0 "[ . 1 . 2]"
1 43 LYS 1.534 0.292 3 0 "[ . 1 . 2]"
1 44 ILE 0.554 0.292 3 0 "[ . 1 . 2]"
1 45 CYS 12.043 0.845 1 7 "[+ * ** ** - 2]"
1 46 ARG 0.097 0.024 14 0 "[ . 1 . 2]"
1 47 ILE 0.706 0.450 11 0 "[ . 1 . 2]"
1 48 PRO 1.090 0.517 17 1 "[ . 1 . + 2]"
1 49 ARG 0.773 0.450 11 0 "[ . 1 . 2]"
1 50 GLY 0.689 0.297 12 0 "[ . 1 . 2]"
1 51 ASP 0.049 0.049 12 0 "[ . 1 . 2]"
1 52 MET 0.225 0.121 17 0 "[ . 1 . 2]"
1 53 PRO 0.829 0.578 14 1 "[ . 1 +. 2]"
1 54 ASP 1.357 0.517 17 1 "[ . 1 . + 2]"
1 55 ASP 0.059 0.024 14 0 "[ . 1 . 2]"
1 56 ARG 3.252 0.162 7 0 "[ . 1 . 2]"
1 57 CYS 1.308 0.170 12 0 "[ . 1 . 2]"
1 58 THR 3.638 0.678 17 2 "[ . 1 -. + 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLN 0.761 0.426 17 0 "[ . 1 . 2]"
1 61 SER 3.220 0.678 17 2 "[ . 1 -. + 2]"
1 62 ALA 5.436 0.642 20 3 "[ .* 1 .- +]"
1 63 ASP 0.591 0.068 10 0 "[ . 1 . 2]"
1 64 CYS 12.589 0.294 19 0 "[ . 1 . 2]"
1 65 PRO 0.823 0.350 14 0 "[ . 1 . 2]"
1 66 ARG 0.771 0.350 14 0 "[ . 1 . 2]"
1 67 TYR 2.856 0.657 2 2 "[ + . 1 -. 2]"
1 68 HIS 0.902 0.487 2 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 LYS H 1 3 GLU H 4.200 2.400 6.000 3.430 2.403 4.666 . 0 0 "[ . 1 . 2]" 1
2 1 3 GLU H 1 4 CYS H 3.200 . 5.000 2.214 1.865 3.531 . 0 0 "[ . 1 . 2]" 1
3 1 4 CYS H 1 5 ASP H 3.200 . 5.000 4.184 3.795 4.518 . 0 0 "[ . 1 . 2]" 1
4 1 5 ASP H 1 6 CYS H 3.200 . 5.000 2.216 1.861 2.548 . 0 0 "[ . 1 . 2]" 1
5 1 6 CYS H 1 7 SER H 4.200 2.400 6.000 4.405 4.190 4.576 . 0 0 "[ . 1 . 2]" 1
6 1 7 SER H 1 8 SER H 3.200 . 5.000 2.394 1.844 2.747 . 0 0 "[ . 1 . 2]" 1
7 1 10 GLU H 1 11 ASN H 2.600 . 3.400 2.544 2.048 3.300 . 0 0 "[ . 1 . 2]" 1
8 1 13 CYS H 1 14 CYS H 2.600 . 3.400 2.476 1.889 2.781 . 0 0 "[ . 1 . 2]" 1
9 1 14 CYS H 1 15 ASP H 4.200 2.400 6.000 4.346 4.085 4.512 . 0 0 "[ . 1 . 2]" 1
10 1 15 ASP H 1 16 ALA H 3.200 . 5.000 4.554 4.460 4.650 . 0 0 "[ . 1 . 2]" 1
11 1 16 ALA H 1 17 ALA H 3.200 . 5.000 2.555 2.443 2.714 . 0 0 "[ . 1 . 2]" 1
12 1 17 ALA H 1 18 THR H 2.600 . 3.400 2.812 2.592 2.962 . 0 0 "[ . 1 . 2]" 1
13 1 18 THR H 1 19 CYS H 2.600 . 3.400 2.195 1.908 2.611 . 0 0 "[ . 1 . 2]" 1
14 1 19 CYS H 1 20 LYS H 3.200 . 5.000 2.647 2.429 3.089 . 0 0 "[ . 1 . 2]" 1
15 1 20 LYS H 1 21 LEU H 4.200 2.400 6.000 4.476 4.417 4.538 . 0 0 "[ . 1 . 2]" 1
16 1 21 LEU H 1 22 ARG H 4.200 2.400 6.000 4.564 4.380 4.682 . 0 0 "[ . 1 . 2]" 1
17 1 24 GLY H 1 25 ALA H 3.200 . 5.000 3.101 2.612 4.119 . 0 0 "[ . 1 . 2]" 1
18 1 25 ALA H 1 26 GLN H 3.200 . 5.000 4.601 4.271 4.681 . 0 0 "[ . 1 . 2]" 1
19 1 26 GLN H 1 27 CYS H 2.600 . 3.400 2.350 2.073 2.648 . 0 0 "[ . 1 . 2]" 1
20 1 27 CYS H 1 28 GLY H 4.200 2.400 6.000 4.330 4.146 4.476 . 0 0 "[ . 1 . 2]" 1
21 1 28 GLY H 1 29 GLU H 2.600 . 3.400 2.214 2.038 2.530 . 0 0 "[ . 1 . 2]" 1
22 1 29 GLU H 1 30 GLY H 4.200 2.400 6.000 4.342 4.229 4.406 . 0 0 "[ . 1 . 2]" 1
23 1 30 GLY H 1 31 LEU H 4.200 2.400 6.000 4.381 4.119 4.505 . 0 0 "[ . 1 . 2]" 1
24 1 31 LEU H 1 32 CYS H 3.200 . 5.000 2.174 1.897 2.679 . 0 0 "[ . 1 . 2]" 1
25 1 32 CYS H 1 33 CYS H 3.200 . 5.000 2.637 2.056 3.353 . 0 0 "[ . 1 . 2]" 1
26 1 33 CYS H 1 34 GLU H 4.200 2.400 6.000 4.188 3.831 4.525 . 0 0 "[ . 1 . 2]" 1
27 1 34 GLU H 1 35 GLN H 4.200 2.400 6.000 4.370 4.114 4.480 . 0 0 "[ . 1 . 2]" 1
28 1 35 GLN H 1 36 CYS H 3.200 . 5.000 2.603 2.487 2.802 . 0 0 "[ . 1 . 2]" 1
29 1 36 CYS H 1 37 LYS H 3.200 . 5.000 2.609 2.500 2.718 . 0 0 "[ . 1 . 2]" 1
30 1 37 LYS H 1 38 PHE H 4.200 2.400 6.000 4.402 4.208 4.523 . 0 0 "[ . 1 . 2]" 1
31 1 38 PHE H 1 39 SER H 4.200 2.400 6.000 4.508 4.340 4.610 . 0 0 "[ . 1 . 2]" 1
32 1 39 SER H 1 40 ARG H 4.200 2.400 6.000 4.475 4.073 4.707 . 0 0 "[ . 1 . 2]" 1
33 1 42 GLY H 1 43 LYS H 3.200 . 5.000 2.455 2.408 2.492 . 0 0 "[ . 1 . 2]" 1
34 1 43 LYS H 1 44 ILE H 4.200 2.400 6.000 4.332 4.228 4.536 . 0 0 "[ . 1 . 2]" 1
35 1 44 ILE H 1 45 CYS H 4.200 2.400 6.000 4.345 3.920 4.572 . 0 0 "[ . 1 . 2]" 1
36 1 45 CYS H 1 46 ARG H 3.200 . 5.000 2.190 1.906 2.783 . 0 0 "[ . 1 . 2]" 1
37 1 46 ARG H 1 47 ILE H 3.200 . 5.000 4.198 3.742 4.426 . 0 0 "[ . 1 . 2]" 1
38 1 50 GLY H 1 51 ASP H 4.200 2.400 6.000 3.561 2.351 4.578 0.049 12 0 "[ . 1 . 2]" 1
39 1 54 ASP H 1 55 ASP H 3.200 . 5.000 4.548 4.247 4.671 . 0 0 "[ . 1 . 2]" 1
40 1 56 ARG H 1 57 CYS H 4.200 2.400 6.000 4.414 3.990 4.613 . 0 0 "[ . 1 . 2]" 1
41 1 57 CYS H 1 58 THR H 4.200 2.400 6.000 4.663 4.634 4.694 . 0 0 "[ . 1 . 2]" 1
42 1 58 THR H 1 59 GLY H 3.200 . 5.000 2.462 2.195 2.611 . 0 0 "[ . 1 . 2]" 1
43 1 59 GLY H 1 60 GLN H 3.200 . 5.000 2.960 2.589 3.544 . 0 0 "[ . 1 . 2]" 1
44 1 60 GLN H 1 61 SER H 2.600 . 3.400 2.123 1.845 2.598 . 0 0 "[ . 1 . 2]" 1
45 1 61 SER H 1 62 ALA H 4.200 2.400 6.000 4.523 4.294 4.639 . 0 0 "[ . 1 . 2]" 1
46 1 62 ALA H 1 63 ASP H 3.200 . 5.000 2.466 2.036 2.851 . 0 0 "[ . 1 . 2]" 1
47 1 63 ASP H 1 64 CYS H 4.200 2.400 6.000 4.593 4.523 4.655 . 0 0 "[ . 1 . 2]" 1
48 1 66 ARG H 1 67 TYR H 3.200 . 5.000 4.255 2.015 4.617 . 0 0 "[ . 1 . 2]" 1
49 1 67 TYR H 1 68 HIS H 3.200 . 5.000 2.750 1.864 4.133 . 0 0 "[ . 1 . 2]" 1
50 1 3 GLU HA 1 4 CYS H 2.600 . 3.400 3.227 2.549 3.447 0.047 14 0 "[ . 1 . 2]" 1
51 1 4 CYS HA 1 5 ASP H 2.600 . 3.400 2.215 2.179 2.270 . 0 0 "[ . 1 . 2]" 1
52 1 6 CYS HA 1 7 SER H 3.200 . 5.000 2.391 2.195 2.934 . 0 0 "[ . 1 . 2]" 1
53 1 7 SER HA 1 8 SER H 3.200 . 5.000 3.314 3.100 3.560 . 0 0 "[ . 1 . 2]" 1
54 1 9 PRO HA 1 10 GLU H 3.200 . 5.000 3.494 3.068 3.587 . 0 0 "[ . 1 . 2]" 1
55 1 10 GLU HA 1 11 ASN H 3.200 . 5.000 3.340 2.734 3.551 . 0 0 "[ . 1 . 2]" 1
56 1 12 PRO HA 1 13 CYS H 3.200 . 5.000 3.427 3.094 3.547 . 0 0 "[ . 1 . 2]" 1
57 1 13 CYS HA 1 14 CYS H 3.200 . 5.000 3.411 3.245 3.550 . 0 0 "[ . 1 . 2]" 1
58 1 14 CYS HA 1 15 ASP H 2.600 . 3.400 2.210 2.162 2.567 . 0 0 "[ . 1 . 2]" 1
59 1 15 ASP HA 1 16 ALA H 2.600 . 3.400 2.204 2.184 2.242 . 0 0 "[ . 1 . 2]" 1
60 1 16 ALA HA 1 17 ALA H 3.200 . 5.000 3.534 3.478 3.566 . 0 0 "[ . 1 . 2]" 1
61 1 19 CYS HA 1 20 LYS H 3.200 . 5.000 3.070 2.877 3.224 . 0 0 "[ . 1 . 2]" 1
62 1 20 LYS HA 1 21 LEU H 2.600 . 3.400 2.517 2.350 2.725 . 0 0 "[ . 1 . 2]" 1
63 1 21 LEU HA 1 22 ARG H 2.600 . 3.400 2.250 2.185 2.686 . 0 0 "[ . 1 . 2]" 1
64 1 23 PRO HA 1 24 GLY H 2.600 . 3.400 2.749 2.493 2.841 . 0 0 "[ . 1 . 2]" 1
65 1 25 ALA HA 1 26 GLN H 2.600 . 3.400 2.327 2.206 2.545 . 0 0 "[ . 1 . 2]" 1
66 1 26 GLN HA 1 27 CYS H 3.200 . 5.000 3.447 3.338 3.587 . 0 0 "[ . 1 . 2]" 1
67 1 27 CYS HA 1 28 GLY H 2.600 . 3.400 2.285 2.186 2.399 . 0 0 "[ . 1 . 2]" 1
68 1 29 GLU HA 1 30 GLY H 2.600 . 3.400 2.403 2.223 2.782 . 0 0 "[ . 1 . 2]" 1
69 1 31 LEU HA 1 32 CYS H 3.200 . 5.000 3.429 3.288 3.510 . 0 0 "[ . 1 . 2]" 1
70 1 32 CYS HA 1 33 CYS H 3.200 . 5.000 3.055 2.583 3.496 . 0 0 "[ . 1 . 2]" 1
71 1 33 CYS HA 1 34 GLU H 2.600 . 3.400 2.222 2.164 2.404 . 0 0 "[ . 1 . 2]" 1
72 1 34 GLU HA 1 35 GLN H 2.600 . 3.400 2.210 2.185 2.273 . 0 0 "[ . 1 . 2]" 1
73 1 35 GLN HA 1 36 CYS H 3.200 . 5.000 2.915 2.670 3.121 . 0 0 "[ . 1 . 2]" 1
74 1 36 CYS HA 1 37 LYS H 3.200 . 5.000 2.998 2.685 3.201 . 0 0 "[ . 1 . 2]" 1
75 1 37 LYS HA 1 38 PHE H 2.600 . 3.400 2.245 2.205 2.383 . 0 0 "[ . 1 . 2]" 1
76 1 38 PHE HA 1 39 SER H 2.600 . 3.400 2.207 2.193 2.262 . 0 0 "[ . 1 . 2]" 1
77 1 39 SER HA 1 40 ARG H 2.600 . 3.400 2.806 2.352 3.231 . 0 0 "[ . 1 . 2]" 1
78 1 40 ARG HA 1 41 ALA H 2.600 . 3.400 2.314 2.194 2.638 . 0 0 "[ . 1 . 2]" 1
79 1 41 ALA HA 1 42 GLY H 2.600 . 3.400 2.485 2.424 2.572 . 0 0 "[ . 1 . 2]" 1
80 1 43 LYS HA 1 44 ILE H 3.200 . 5.000 2.196 2.174 2.244 . 0 0 "[ . 1 . 2]" 1
81 1 44 ILE HA 1 45 CYS H 2.600 . 3.400 2.234 2.153 2.459 . 0 0 "[ . 1 . 2]" 1
82 1 45 CYS HA 1 46 ARG H 3.200 . 5.000 3.424 3.169 3.536 . 0 0 "[ . 1 . 2]" 1
83 1 46 ARG HA 1 47 ILE H 3.200 . 5.000 2.285 2.145 2.873 . 0 0 "[ . 1 . 2]" 1
84 1 49 ARG HA 1 50 GLY H 2.600 . 3.400 2.658 2.200 3.502 0.102 20 0 "[ . 1 . 2]" 1
85 1 51 ASP HA 1 52 MET H 2.600 . 3.400 2.832 2.175 3.361 . 0 0 "[ . 1 . 2]" 1
86 1 53 PRO HA 1 54 ASP H 2.600 . 3.400 2.333 2.184 2.615 . 0 0 "[ . 1 . 2]" 1
87 1 54 ASP HA 1 55 ASP H 2.600 . 3.400 2.377 2.198 3.079 . 0 0 "[ . 1 . 2]" 1
88 1 55 ASP HA 1 56 ARG H 2.600 . 3.400 2.260 2.191 2.494 . 0 0 "[ . 1 . 2]" 1
89 1 56 ARG HA 1 57 CYS H 2.600 . 3.400 2.223 2.175 2.268 . 0 0 "[ . 1 . 2]" 1
90 1 57 CYS HA 1 58 THR H 2.600 . 3.400 2.341 2.259 2.416 . 0 0 "[ . 1 . 2]" 1
91 1 60 GLN HA 1 61 SER H 3.200 . 5.000 3.381 3.267 3.475 . 0 0 "[ . 1 . 2]" 1
92 1 61 SER HA 1 62 ALA H 3.200 . 5.000 2.255 2.187 2.453 . 0 0 "[ . 1 . 2]" 1
93 1 63 ASP HA 1 64 CYS H 2.600 . 3.400 2.540 2.366 2.729 . 0 0 "[ . 1 . 2]" 1
94 1 67 TYR HA 1 68 HIS H 3.200 . 5.000 3.108 2.274 3.587 . 0 0 "[ . 1 . 2]" 1
95 1 24 GLY HA2 1 25 ALA H 3.200 . 5.000 2.882 2.339 3.154 . 0 0 "[ . 1 . 2]" 1
96 1 28 GLY HA2 1 29 GLU H 3.200 . 5.000 3.440 3.211 3.530 . 0 0 "[ . 1 . 2]" 1
97 1 30 GLY HA2 1 31 LEU H 2.600 . 3.400 2.610 2.253 2.945 . 0 0 "[ . 1 . 2]" 1
98 1 42 GLY HA2 1 43 LYS H 3.200 . 5.000 3.048 3.009 3.092 . 0 0 "[ . 1 . 2]" 1
99 1 24 GLY HA3 1 25 ALA H 3.200 . 5.000 3.504 3.412 3.587 . 0 0 "[ . 1 . 2]" 1
100 1 28 GLY HA3 1 29 GLU H 3.200 . 5.000 3.091 2.915 3.374 . 0 0 "[ . 1 . 2]" 1
101 1 30 GLY HA3 1 31 LEU H 2.600 . 3.400 2.662 2.378 3.027 . 0 0 "[ . 1 . 2]" 1
102 1 1 GLY QA 1 2 LYS H 3.200 . 5.000 2.394 2.162 2.831 . 0 0 "[ . 1 . 2]" 1
103 1 50 GLY QA 1 51 ASP H 2.600 . 3.400 2.417 2.158 2.892 . 0 0 "[ . 1 . 2]" 1
104 1 42 GLY HA3 1 43 LYS H 3.200 . 5.000 3.467 3.438 3.491 . 0 0 "[ . 1 . 2]" 1
105 1 5 ASP H 1 20 LYS H 4.200 2.400 6.000 4.184 4.013 4.383 . 0 0 "[ . 1 . 2]" 1
106 1 5 ASP H 1 21 LEU H 4.200 2.400 6.000 4.164 3.899 4.557 . 0 0 "[ . 1 . 2]" 1
107 1 6 CYS H 1 21 LEU H 4.200 2.400 6.000 5.299 4.751 5.934 . 0 0 "[ . 1 . 2]" 1
108 1 15 ASP H 1 22 ARG H 3.200 . 5.000 2.875 2.309 4.334 . 0 0 "[ . 1 . 2]" 1
109 1 15 ASP H 1 20 LYS H 4.200 2.400 6.000 3.438 2.704 4.029 . 0 0 "[ . 1 . 2]" 1
110 1 14 CYS H 1 22 ARG H 4.200 2.400 6.000 4.459 3.862 5.204 . 0 0 "[ . 1 . 2]" 1
111 1 26 GLN H 1 38 PHE H 4.200 2.400 6.000 3.902 3.659 4.174 . 0 0 "[ . 1 . 2]" 1
112 1 27 CYS H 1 36 CYS H 4.200 2.400 6.000 5.753 5.427 6.023 0.023 16 0 "[ . 1 . 2]" 1
113 1 27 CYS H 1 38 PHE H 4.200 2.400 6.000 4.330 3.790 5.019 . 0 0 "[ . 1 . 2]" 1
114 1 33 CYS H 1 39 SER H 4.200 2.400 6.000 4.497 4.231 4.725 . 0 0 "[ . 1 . 2]" 1
115 1 34 GLU H 1 39 SER H 4.200 2.400 6.000 3.378 2.838 3.831 . 0 0 "[ . 1 . 2]" 1
116 1 26 GLN H 1 37 LYS H 4.200 2.400 6.000 4.752 4.228 5.106 . 0 0 "[ . 1 . 2]" 1
117 1 42 GLY H 1 57 CYS H 4.200 2.400 6.000 4.093 3.381 4.752 . 0 0 "[ . 1 . 2]" 1
118 1 43 LYS H 1 56 ARG H 4.200 2.400 6.000 5.724 5.469 6.096 0.096 18 0 "[ . 1 . 2]" 1
119 1 43 LYS H 1 57 CYS H 3.200 . 5.000 2.431 1.849 3.128 . 0 0 "[ . 1 . 2]" 1
120 1 45 CYS H 1 56 ARG H 4.200 2.400 6.000 4.298 3.630 4.700 . 0 0 "[ . 1 . 2]" 1
121 1 46 ARG H 1 55 ASP H 4.200 2.400 6.000 3.384 3.054 3.697 . 0 0 "[ . 1 . 2]" 1
122 1 7 SER H 1 29 GLU HG2 4.200 2.400 6.000 3.327 2.389 5.578 0.011 5 0 "[ . 1 . 2]" 1
123 1 26 GLN QG 1 38 PHE H 3.200 . 5.000 3.279 1.851 3.882 . 0 0 "[ . 1 . 2]" 1
124 1 58 THR H 1 65 PRO QG 4.500 2.500 7.000 3.711 2.557 5.190 . 0 0 "[ . 1 . 2]" 1
125 1 13 CYS H 1 25 ALA MB 4.500 2.500 7.000 5.872 5.732 5.930 . 0 0 "[ . 1 . 2]" 1
126 1 21 LEU HG 1 27 CYS H 4.200 2.400 6.000 4.810 4.417 5.410 . 0 0 "[ . 1 . 2]" 1
127 1 21 LEU HG 1 28 GLY H 3.200 . 5.000 3.320 2.794 3.751 . 0 0 "[ . 1 . 2]" 1
128 1 21 LEU HG 1 29 GLU H 4.200 2.400 6.000 5.347 4.906 5.714 . 0 0 "[ . 1 . 2]" 1
129 1 21 LEU MD2 1 27 CYS H 3.400 . 6.000 2.408 1.842 3.123 . 0 0 "[ . 1 . 2]" 1
130 1 21 LEU MD2 1 29 GLU H 4.200 2.400 6.000 4.881 4.394 5.475 . 0 0 "[ . 1 . 2]" 1
131 1 44 ILE H 1 56 ARG HD2 4.200 2.400 6.000 4.595 3.297 5.887 . 0 0 "[ . 1 . 2]" 1
132 1 21 LEU MD1 1 27 CYS H 4.200 2.400 6.000 3.337 2.757 3.988 . 0 0 "[ . 1 . 2]" 1
133 1 21 LEU MD1 1 28 GLY H 3.400 . 6.000 2.782 2.318 3.317 . 0 0 "[ . 1 . 2]" 1
134 1 21 LEU MD1 1 29 GLU H 4.200 2.400 6.000 4.688 4.288 5.092 . 0 0 "[ . 1 . 2]" 1
135 1 58 THR H 1 65 PRO HD3 4.200 2.400 6.000 4.364 3.013 5.240 . 0 0 "[ . 1 . 2]" 1
136 1 31 LEU QD 1 46 ARG H 5.000 2.500 8.400 4.680 3.863 5.581 . 0 0 "[ . 1 . 2]" 1
137 1 44 ILE MD 1 54 ASP H 4.500 2.500 7.000 4.950 4.458 5.675 . 0 0 "[ . 1 . 2]" 1
138 1 27 CYS HB3 1 62 ALA H 4.200 2.400 6.000 4.930 3.689 5.695 . 0 0 "[ . 1 . 2]" 1
139 1 27 CYS HB2 1 62 ALA H 4.200 2.400 6.000 5.021 4.390 5.968 . 0 0 "[ . 1 . 2]" 1
140 1 31 LEU QD 1 64 CYS H 2.600 . 3.400 1.752 1.657 1.892 0.143 17 0 "[ . 1 . 2]" 1
141 1 5 ASP H 1 19 CYS HB2 4.200 2.400 6.000 5.116 3.366 5.652 . 0 0 "[ . 1 . 2]" 1
142 1 5 ASP H 1 20 LYS HB2 3.200 . 5.000 4.475 4.183 4.810 . 0 0 "[ . 1 . 2]" 1
143 1 6 CYS H 1 19 CYS HB2 4.200 2.400 6.000 5.490 3.064 6.034 0.034 19 0 "[ . 1 . 2]" 1
144 1 14 CYS HB2 1 22 ARG H 4.200 2.400 6.000 4.630 4.120 5.986 . 0 0 "[ . 1 . 2]" 1
145 1 25 ALA H 1 36 CYS HB2 4.200 2.400 6.000 5.662 4.891 6.036 0.036 12 0 "[ . 1 . 2]" 1
146 1 26 GLN H 1 36 CYS HB2 4.200 2.400 6.000 4.728 4.029 5.141 . 0 0 "[ . 1 . 2]" 1
147 1 26 GLN H 1 38 PHE HB2 4.200 2.400 6.000 6.022 5.941 6.148 0.148 12 0 "[ . 1 . 2]" 1
148 1 13 CYS HB2 1 28 GLY H 4.200 2.400 6.000 5.901 4.948 6.136 0.136 12 0 "[ . 1 . 2]" 1
149 1 31 LEU H 1 45 CYS HB2 4.200 2.400 6.000 5.445 4.819 5.963 . 0 0 "[ . 1 . 2]" 1
150 1 31 LEU H 1 63 ASP HB2 4.200 2.400 6.000 5.096 4.791 5.718 . 0 0 "[ . 1 . 2]" 1
151 1 31 LEU H 1 64 CYS HB2 3.200 . 5.000 4.834 4.291 5.059 0.059 15 0 "[ . 1 . 2]" 1
152 1 32 CYS H 1 64 CYS HB2 4.200 2.400 6.000 5.028 4.864 5.557 . 0 0 "[ . 1 . 2]" 1
153 1 26 GLN HB2 1 38 PHE H 3.200 . 5.000 2.376 1.857 3.911 . 0 0 "[ . 1 . 2]" 1
154 1 32 CYS HB2 1 39 SER H 4.200 2.400 6.000 4.155 2.722 4.941 . 0 0 "[ . 1 . 2]" 1
155 1 33 CYS HB2 1 39 SER H 4.200 2.400 6.000 5.113 4.053 6.048 0.048 12 0 "[ . 1 . 2]" 1
156 1 41 ALA H 1 57 CYS HB2 4.200 2.400 6.000 5.547 4.818 6.170 0.170 12 0 "[ . 1 . 2]" 1
157 1 42 GLY H 1 56 ARG HB2 3.200 . 5.000 3.574 3.009 5.058 0.058 20 0 "[ . 1 . 2]" 1
158 1 43 LYS H 1 57 CYS HB2 3.200 . 5.000 2.976 2.476 3.475 . 0 0 "[ . 1 . 2]" 1
159 1 45 CYS H 1 56 ARG QB 3.200 . 5.000 4.495 4.432 4.565 . 0 0 "[ . 1 . 2]" 1
160 1 38 PHE HB2 1 61 SER H 4.200 2.400 6.000 5.930 5.748 6.028 0.028 12 0 "[ . 1 . 2]" 1
161 1 31 LEU HB2 1 64 CYS H 4.200 2.400 6.000 5.085 4.766 5.513 . 0 0 "[ . 1 . 2]" 1
162 1 66 ARG HB2 1 67 TYR H 3.200 . 5.000 3.455 1.958 4.664 . 0 0 "[ . 1 . 2]" 1
163 1 5 ASP H 1 19 CYS HB3 3.200 . 5.000 4.065 3.605 5.056 0.056 10 0 "[ . 1 . 2]" 1
164 1 5 ASP H 1 20 LYS HB3 4.200 2.400 6.000 4.029 3.205 4.425 . 0 0 "[ . 1 . 2]" 1
165 1 6 CYS H 1 19 CYS HB3 4.200 2.400 6.000 4.833 4.381 5.448 . 0 0 "[ . 1 . 2]" 1
166 1 7 SER H 1 29 GLU HB3 4.200 2.400 6.000 4.043 2.539 5.025 . 0 0 "[ . 1 . 2]" 1
167 1 14 CYS HB3 1 22 ARG H 4.200 2.400 6.000 4.708 4.191 5.361 . 0 0 "[ . 1 . 2]" 1
168 1 25 ALA H 1 36 CYS HB3 4.200 2.400 6.000 4.932 4.711 5.517 . 0 0 "[ . 1 . 2]" 1
169 1 26 GLN H 1 36 CYS HB3 4.200 2.400 6.000 4.006 3.386 4.844 . 0 0 "[ . 1 . 2]" 1
170 1 27 CYS H 1 36 CYS HB3 3.200 . 5.000 3.558 3.151 4.231 . 0 0 "[ . 1 . 2]" 1
171 1 31 LEU H 1 45 CYS HB3 4.200 2.400 6.000 6.020 5.764 6.221 0.221 9 0 "[ . 1 . 2]" 1
172 1 31 LEU H 1 63 ASP HB3 4.200 2.400 6.000 4.190 3.790 4.907 . 0 0 "[ . 1 . 2]" 1
173 1 31 LEU H 1 64 CYS HB3 4.200 2.400 6.000 5.307 4.623 5.870 . 0 0 "[ . 1 . 2]" 1
174 1 32 CYS H 1 64 CYS HB3 4.200 2.400 6.000 6.072 5.912 6.179 0.179 19 0 "[ . 1 . 2]" 1
175 1 33 CYS H 1 62 ALA MB 3.400 . 6.000 4.243 2.958 4.869 . 0 0 "[ . 1 . 2]" 1
176 1 26 GLN HB3 1 37 LYS H 4.200 2.400 6.000 5.874 5.580 6.040 0.040 12 0 "[ . 1 . 2]" 1
177 1 43 LYS H 1 57 CYS HB3 3.200 . 5.000 4.058 2.422 4.833 . 0 0 "[ . 1 . 2]" 1
178 1 45 CYS H 1 56 ARG QG 3.400 . 6.000 4.153 3.647 4.859 . 0 0 "[ . 1 . 2]" 1
179 1 38 PHE HB3 1 61 SER H 4.200 2.400 6.000 4.304 4.116 4.438 . 0 0 "[ . 1 . 2]" 1
180 1 31 LEU HB3 1 64 CYS H 3.200 . 5.000 4.578 3.739 4.974 . 0 0 "[ . 1 . 2]" 1
181 1 5 ASP QB 1 20 LYS H 4.500 2.500 7.000 4.636 4.246 5.147 . 0 0 "[ . 1 . 2]" 1
182 1 14 CYS QB 1 20 LYS H 4.500 2.500 7.000 3.837 3.146 5.460 . 0 0 "[ . 1 . 2]" 1
183 1 15 ASP QB 1 20 LYS H 3.400 . 6.000 2.795 2.341 3.253 . 0 0 "[ . 1 . 2]" 1
184 1 5 ASP QB 1 21 LEU H 3.400 . 6.000 2.295 1.806 2.760 . 0 0 "[ . 1 . 2]" 1
185 1 21 LEU QB 1 28 GLY H 4.200 2.400 6.000 5.182 4.771 5.427 . 0 0 "[ . 1 . 2]" 1
186 1 28 GLY H 1 62 ALA MB 3.400 . 6.000 4.377 3.655 4.905 . 0 0 "[ . 1 . 2]" 1
187 1 29 GLU H 1 62 ALA MB 3.400 . 6.000 3.792 3.332 4.156 . 0 0 "[ . 1 . 2]" 1
188 1 46 ARG H 1 54 ASP QB 4.500 2.500 7.000 4.766 3.553 5.673 . 0 0 "[ . 1 . 2]" 1
189 1 46 ARG H 1 55 ASP QB 3.400 . 6.000 2.402 1.823 3.622 . 0 0 "[ . 1 . 2]" 1
190 1 46 ARG H 1 64 CYS QB 4.500 2.500 7.000 4.843 4.591 5.238 . 0 0 "[ . 1 . 2]" 1
191 1 41 ALA MB 1 59 GLY H 3.400 . 6.000 3.345 2.812 3.659 . 0 0 "[ . 1 . 2]" 1
192 1 41 ALA MB 1 60 GLN H 4.500 2.500 7.000 4.042 3.419 4.483 . 0 0 "[ . 1 . 2]" 1
193 1 13 CYS H 1 28 GLY HA2 4.200 2.400 6.000 4.858 4.503 5.430 . 0 0 "[ . 1 . 2]" 1
194 1 42 GLY QA 1 57 CYS H 4.500 2.500 7.000 4.437 3.663 5.160 . 0 0 "[ . 1 . 2]" 1
195 1 5 ASP H 1 19 CYS HA 4.200 2.400 6.000 4.528 4.281 5.208 . 0 0 "[ . 1 . 2]" 1
196 1 6 CYS H 1 19 CYS HA 4.200 2.400 6.000 4.571 4.162 5.096 . 0 0 "[ . 1 . 2]" 1
197 1 14 CYS H 1 21 LEU HA 4.200 2.400 6.000 4.515 4.264 4.694 . 0 0 "[ . 1 . 2]" 1
198 1 14 CYS HA 1 20 LYS H 4.200 2.400 6.000 4.760 4.177 5.253 . 0 0 "[ . 1 . 2]" 1
199 1 14 CYS HA 1 21 LEU H 4.200 2.400 6.000 3.997 3.534 4.312 . 0 0 "[ . 1 . 2]" 1
200 1 14 CYS HA 1 22 ARG H 2.600 . 3.400 2.322 1.847 3.123 . 0 0 "[ . 1 . 2]" 1
201 1 26 GLN H 1 37 LYS HA 3.200 . 5.000 2.449 1.860 2.761 . 0 0 "[ . 1 . 2]" 1
202 1 27 CYS H 1 37 LYS HA 3.200 . 5.000 3.307 2.681 4.001 . 0 0 "[ . 1 . 2]" 1
203 1 21 LEU HA 1 28 GLY H 4.200 2.400 6.000 5.199 4.646 5.626 . 0 0 "[ . 1 . 2]" 1
204 1 31 LEU H 1 64 CYS HA 4.200 2.400 6.000 5.408 4.921 5.980 . 0 0 "[ . 1 . 2]" 1
205 1 32 CYS H 1 63 ASP HA 3.200 . 5.000 3.228 2.877 3.943 . 0 0 "[ . 1 . 2]" 1
206 1 34 GLU H 1 39 SER HA 4.200 2.400 6.000 3.707 2.941 4.194 . 0 0 "[ . 1 . 2]" 1
207 1 25 ALA HA 1 37 LYS H 4.200 2.400 6.000 5.762 5.022 6.037 0.037 12 0 "[ . 1 . 2]" 1
208 1 26 GLN HA 1 38 PHE H 4.200 2.400 6.000 4.845 4.521 5.437 . 0 0 "[ . 1 . 2]" 1
209 1 33 CYS HA 1 38 PHE H 4.200 2.400 6.000 4.638 4.365 4.937 . 0 0 "[ . 1 . 2]" 1
210 1 33 CYS HA 1 39 SER H 3.200 . 5.000 2.750 2.230 3.472 . 0 0 "[ . 1 . 2]" 1
211 1 43 LYS H 1 57 CYS HA 3.200 . 5.000 4.410 4.056 4.910 . 0 0 "[ . 1 . 2]" 1
212 1 44 ILE H 1 56 ARG HA 4.200 2.400 6.000 3.925 3.674 4.321 . 0 0 "[ . 1 . 2]" 1
213 1 45 CYS H 1 56 ARG HA 3.200 . 5.000 2.551 2.366 2.841 . 0 0 "[ . 1 . 2]" 1
214 1 46 ARG H 1 54 ASP HA 4.200 2.400 6.000 5.307 4.873 6.000 0.000 17 0 "[ . 1 . 2]" 1
215 1 46 ARG H 1 55 ASP HA 4.200 2.400 6.000 4.762 4.227 5.442 . 0 0 "[ . 1 . 2]" 1
216 1 46 ARG H 1 56 ARG HA 4.200 2.400 6.000 4.429 4.192 4.785 . 0 0 "[ . 1 . 2]" 1
217 1 44 ILE HA 1 55 ASP H 4.200 2.400 6.000 4.414 3.601 4.987 . 0 0 "[ . 1 . 2]" 1
218 1 44 ILE HA 1 56 ARG H 4.200 2.400 6.000 4.654 4.362 5.006 . 0 0 "[ . 1 . 2]" 1
219 1 41 ALA HA 1 57 CYS H 4.200 2.400 6.000 4.520 4.131 4.964 . 0 0 "[ . 1 . 2]" 1
220 1 44 ILE HA 1 57 CYS H 3.200 . 5.000 4.089 3.940 4.259 . 0 0 "[ . 1 . 2]" 1
221 1 41 ALA HA 1 58 THR H 4.200 2.400 6.000 3.865 3.441 4.267 . 0 0 "[ . 1 . 2]" 1
222 1 58 THR H 1 64 CYS HA 4.200 2.400 6.000 5.342 3.661 6.016 0.016 13 0 "[ . 1 . 2]" 1
223 1 41 ALA HA 1 60 GLN H 4.200 2.400 6.000 4.624 4.374 4.999 . 0 0 "[ . 1 . 2]" 1
224 1 31 LEU HA 1 64 CYS H 4.200 2.400 6.000 6.038 5.888 6.115 0.115 12 0 "[ . 1 . 2]" 1
225 1 55 ASP HA 1 67 TYR H 4.200 2.400 6.000 5.620 4.816 6.014 0.014 1 0 "[ . 1 . 2]" 1
226 1 21 LEU MD2 1 28 GLY H 3.400 . 6.000 3.362 2.743 3.970 . 0 0 "[ . 1 . 2]" 1
227 1 3 GLU HA 1 20 LYS QD 3.400 . 6.000 2.783 1.856 4.220 . 0 0 "[ . 1 . 2]" 1
228 1 3 GLU HA 1 20 LYS QG 2.600 . 3.400 3.077 2.943 3.202 . 0 0 "[ . 1 . 2]" 1
229 1 4 CYS HA 1 19 CYS HA 3.200 . 5.000 4.131 3.917 4.338 . 0 0 "[ . 1 . 2]" 1
230 1 4 CYS HA 1 19 CYS HB3 2.600 . 3.400 2.374 1.844 3.521 0.121 4 0 "[ . 1 . 2]" 1
231 1 4 CYS HA 1 19 CYS HB2 3.200 . 5.000 3.637 2.014 4.269 . 0 0 "[ . 1 . 2]" 1
232 1 4 CYS HA 1 20 LYS HB3 4.500 2.500 7.000 5.051 4.435 5.700 . 0 0 "[ . 1 . 2]" 1
233 1 4 CYS HA 1 20 LYS HB2 3.200 . 5.000 4.889 4.426 5.061 0.061 7 0 "[ . 1 . 2]" 1
234 1 4 CYS HA 1 20 LYS QG 3.200 . 5.000 2.399 1.867 3.041 . 0 0 "[ . 1 . 2]" 1
235 1 4 CYS HB3 1 19 CYS HB2 4.200 2.400 6.000 4.856 2.327 5.394 0.073 10 0 "[ . 1 . 2]" 1
236 1 5 ASP HA 1 20 LYS HB3 4.200 2.400 6.000 5.476 5.086 5.756 . 0 0 "[ . 1 . 2]" 1
237 1 5 ASP HA 1 21 LEU MD1 4.200 2.400 6.000 4.580 4.151 5.017 . 0 0 "[ . 1 . 2]" 1
238 1 5 ASP QB 1 20 LYS HB3 2.600 . 3.400 2.917 2.553 3.131 . 0 0 "[ . 1 . 2]" 1
239 1 5 ASP QB 1 21 LEU HG 4.200 2.400 6.000 3.201 2.696 3.854 . 0 0 "[ . 1 . 2]" 1
240 1 5 ASP QB 1 21 LEU MD1 4.200 2.400 6.000 2.731 1.928 3.428 0.472 17 0 "[ . 1 . 2]" 1
241 1 6 CYS HA 1 28 GLY HA3 4.200 2.400 6.000 4.334 3.830 4.591 . 0 0 "[ . 1 . 2]" 1
242 1 6 CYS HA 1 28 GLY HA2 4.200 2.400 6.000 5.920 5.473 6.040 0.040 11 0 "[ . 1 . 2]" 1
243 1 6 CYS HA 1 14 CYS QB 4.500 2.500 7.000 4.328 4.121 4.698 . 0 0 "[ . 1 . 2]" 1
244 1 6 CYS HA 1 29 GLU HB3 3.200 . 5.000 3.890 2.388 4.904 . 0 0 "[ . 1 . 2]" 1
245 1 6 CYS HA 1 29 GLU QG 3.400 . 6.000 2.925 1.890 5.361 . 0 0 "[ . 1 . 2]" 1
246 1 9 PRO HA 1 16 ALA HA 3.200 . 5.000 3.444 2.602 4.084 . 0 0 "[ . 1 . 2]" 1
247 1 9 PRO HA 1 14 CYS QB 4.500 2.500 7.000 5.863 5.217 6.268 . 0 0 "[ . 1 . 2]" 1
248 1 9 PRO HA 1 16 ALA MB 3.400 . 6.000 3.117 2.301 4.272 . 0 0 "[ . 1 . 2]" 1
249 1 9 PRO HB3 1 16 ALA MB 3.400 . 6.000 3.664 2.687 4.617 . 0 0 "[ . 1 . 2]" 1
250 1 13 CYS HA 1 36 CYS HB3 4.200 2.400 6.000 4.682 2.821 5.336 . 0 0 "[ . 1 . 2]" 1
251 1 13 CYS HA 1 21 LEU HG 4.200 2.400 6.000 5.776 5.082 6.018 0.018 16 0 "[ . 1 . 2]" 1
252 1 13 CYS HA 1 21 LEU MD2 4.200 2.400 6.000 4.316 3.959 4.848 . 0 0 "[ . 1 . 2]" 1
253 1 13 CYS HB3 1 29 GLU HB3 4.200 2.400 6.000 5.900 5.257 6.066 0.066 9 0 "[ . 1 . 2]" 1
254 1 13 CYS HB3 1 29 GLU QG 4.500 2.500 7.000 6.117 4.482 6.304 . 0 0 "[ . 1 . 2]" 1
255 1 13 CYS HB3 1 21 LEU MD2 3.400 . 6.000 3.405 2.684 4.537 . 0 0 "[ . 1 . 2]" 1
256 1 13 CYS HB2 1 25 ALA MB 3.400 . 6.000 4.611 4.439 4.993 . 0 0 "[ . 1 . 2]" 1
257 1 14 CYS HA 1 22 ARG HA 3.200 . 5.000 4.595 4.230 5.010 0.010 17 0 "[ . 1 . 2]" 1
258 1 14 CYS HA 1 21 LEU HA 2.600 . 3.400 1.895 1.805 2.172 . 0 0 "[ . 1 . 2]" 1
259 1 6 CYS HB3 1 14 CYS HA 4.200 2.400 6.000 4.693 4.085 5.791 . 0 0 "[ . 1 . 2]" 1
260 1 14 CYS HA 1 22 ARG QB 3.400 . 6.000 3.347 2.809 3.924 . 0 0 "[ . 1 . 2]" 1
261 1 14 CYS HA 1 21 LEU HG 3.200 . 5.000 3.612 3.231 3.891 . 0 0 "[ . 1 . 2]" 1
262 1 14 CYS HA 1 21 LEU QB 4.200 2.400 6.000 4.058 3.803 4.321 . 0 0 "[ . 1 . 2]" 1
263 1 14 CYS HA 1 21 LEU MD1 4.200 2.400 6.000 4.916 4.429 5.126 . 0 0 "[ . 1 . 2]" 1
264 1 14 CYS HA 1 21 LEU MD2 4.200 2.400 6.000 4.089 3.640 4.790 . 0 0 "[ . 1 . 2]" 1
265 1 14 CYS QB 1 21 LEU HG 4.200 2.400 6.000 3.389 2.975 3.936 . 0 0 "[ . 1 . 2]" 1
266 1 14 CYS HB3 1 21 LEU MD2 4.200 2.400 6.000 4.537 3.768 5.541 . 0 0 "[ . 1 . 2]" 1
267 1 15 ASP HB2 1 20 LYS QB 3.400 . 6.000 4.650 4.185 4.940 . 0 0 "[ . 1 . 2]" 1
268 1 15 ASP HB2 1 20 LYS QG 4.500 2.500 7.000 6.221 5.808 6.317 . 0 0 "[ . 1 . 2]" 1
269 1 9 PRO HB3 1 16 ALA HA 3.200 . 5.000 4.611 3.379 5.005 0.005 11 0 "[ . 1 . 2]" 1
270 1 4 CYS HB3 1 19 CYS HA 4.200 2.400 6.000 5.765 4.957 5.990 . 0 0 "[ . 1 . 2]" 1
271 1 4 CYS HB3 1 19 CYS HB3 3.200 . 5.000 4.037 3.411 4.641 . 0 0 "[ . 1 . 2]" 1
272 1 14 CYS QB 1 19 CYS HA 3.400 . 6.000 4.035 3.350 5.134 . 0 0 "[ . 1 . 2]" 1
273 1 4 CYS HB2 1 19 CYS HB2 4.200 2.400 6.000 4.375 2.996 5.822 . 0 0 "[ . 1 . 2]" 1
274 1 4 CYS HB3 1 20 LYS HA 4.500 2.500 6.500 5.737 5.027 5.971 . 0 0 "[ . 1 . 2]" 1
275 1 5 ASP QB 1 20 LYS HA 2.600 . 3.400 2.041 1.756 2.577 0.044 3 0 "[ . 1 . 2]" 1
276 1 15 ASP HB3 1 21 LEU HA 4.200 2.400 6.000 5.875 5.156 6.049 0.049 4 0 "[ . 1 . 2]" 1
277 1 15 ASP HB2 1 21 LEU HA 4.200 2.400 6.000 5.142 4.693 5.873 . 0 0 "[ . 1 . 2]" 1
278 1 14 CYS QB 1 21 LEU HA 3.200 . 5.000 2.961 2.250 3.512 . 0 0 "[ . 1 . 2]" 1
279 1 25 ALA HA 1 36 CYS HB3 3.200 . 5.000 3.700 3.237 4.418 . 0 0 "[ . 1 . 2]" 1
280 1 25 ALA HA 1 36 CYS HB2 3.200 . 5.000 4.072 3.413 4.457 . 0 0 "[ . 1 . 2]" 1
281 1 25 ALA HA 1 37 LYS QE 3.400 . 6.000 4.277 2.079 5.226 . 0 0 "[ . 1 . 2]" 1
282 1 21 LEU HG 1 26 GLN HA 4.200 2.400 6.000 5.879 5.462 6.038 0.038 7 0 "[ . 1 . 2]" 1
283 1 21 LEU HA 1 27 CYS HA 4.200 2.400 6.000 5.888 5.656 6.031 0.031 20 0 "[ . 1 . 2]" 1
284 1 27 CYS HA 1 33 CYS HB3 4.200 2.400 6.000 5.866 4.937 6.097 0.097 4 0 "[ . 1 . 2]" 1
285 1 27 CYS HA 1 62 ALA MB 3.400 . 6.000 3.827 3.544 4.351 . 0 0 "[ . 1 . 2]" 1
286 1 21 LEU QB 1 27 CYS HA 4.200 2.400 6.000 4.848 4.621 5.068 . 0 0 "[ . 1 . 2]" 1
287 1 21 LEU MD1 1 27 CYS HA 2.600 . 3.400 2.069 1.832 2.516 . 0 0 "[ . 1 . 2]" 1
288 1 21 LEU MD2 1 27 CYS HA 3.200 . 5.000 2.959 2.620 3.374 . 0 0 "[ . 1 . 2]" 1
289 1 27 CYS HB3 1 33 CYS HB2 3.200 . 5.000 4.175 3.046 5.050 0.050 15 0 "[ . 1 . 2]" 1
290 1 27 CYS HB3 1 62 ALA MB 2.600 . 3.400 2.279 1.809 2.697 . 0 0 "[ . 1 . 2]" 1
291 1 21 LEU MD1 1 27 CYS HB3 4.200 2.400 6.000 4.166 3.744 4.888 . 0 0 "[ . 1 . 2]" 1
292 1 21 LEU MD2 1 27 CYS HB3 4.200 2.400 6.000 4.549 4.229 4.978 . 0 0 "[ . 1 . 2]" 1
293 1 27 CYS HB2 1 62 ALA MB 2.600 . 3.400 2.108 1.783 2.766 0.017 19 0 "[ . 1 . 2]" 1
294 1 21 LEU MD1 1 27 CYS HB2 4.200 2.400 6.000 4.121 3.692 4.409 . 0 0 "[ . 1 . 2]" 1
295 1 21 LEU MD2 1 27 CYS HB2 4.200 2.400 6.000 4.644 4.316 5.219 . 0 0 "[ . 1 . 2]" 1
296 1 13 CYS HB2 1 28 GLY HA3 3.200 . 5.000 4.000 3.145 4.647 . 0 0 "[ . 1 . 2]" 1
297 1 21 LEU MD1 1 28 GLY HA3 4.200 2.400 6.000 4.044 3.317 4.641 . 0 0 "[ . 1 . 2]" 1
298 1 21 LEU MD2 1 28 GLY HA3 4.200 2.400 6.000 3.519 2.762 4.251 . 0 0 "[ . 1 . 2]" 1
299 1 13 CYS HB3 1 28 GLY HA2 3.200 . 5.000 2.056 1.813 2.639 . 0 0 "[ . 1 . 2]" 1
300 1 5 ASP QB 1 28 GLY HA2 4.500 2.500 7.000 5.563 4.209 6.062 . 0 0 "[ . 1 . 2]" 1
301 1 13 CYS HB2 1 28 GLY HA2 3.200 . 5.000 3.078 2.127 3.649 . 0 0 "[ . 1 . 2]" 1
302 1 21 LEU HG 1 28 GLY HA2 4.200 2.400 6.000 3.761 2.416 4.550 . 0 0 "[ . 1 . 2]" 1
303 1 21 LEU MD1 1 28 GLY HA2 4.200 2.400 6.000 4.336 3.748 4.820 . 0 0 "[ . 1 . 2]" 1
304 1 21 LEU MD2 1 28 GLY HA2 3.400 . 6.000 2.965 2.236 3.887 . 0 0 "[ . 1 . 2]" 1
305 1 30 GLY HA3 1 62 ALA MB 2.600 . 3.400 2.434 2.041 2.696 . 0 0 "[ . 1 . 2]" 1
306 1 30 GLY HA2 1 62 ALA MB 3.400 . 6.000 3.819 3.439 3.985 . 0 0 "[ . 1 . 2]" 1
307 1 31 LEU HA 1 64 CYS HB2 4.200 2.400 6.000 6.015 5.712 6.131 0.131 20 0 "[ . 1 . 2]" 1
308 1 32 CYS HA 1 62 ALA HA 3.200 . 5.000 4.899 4.596 5.058 0.058 5 0 "[ . 1 . 2]" 1
309 1 32 CYS HA 1 39 SER HB3 3.200 . 5.000 3.887 2.823 4.452 . 0 0 "[ . 1 . 2]" 1
310 1 32 CYS HA 1 39 SER HB2 3.200 . 5.000 3.023 1.885 3.624 . 0 0 "[ . 1 . 2]" 1
311 1 32 CYS HA 1 43 LYS QE 4.500 2.500 7.000 3.923 2.756 5.651 . 0 0 "[ . 1 . 2]" 1
312 1 32 CYS HA 1 57 CYS HB2 4.200 2.400 6.000 4.653 3.570 5.544 . 0 0 "[ . 1 . 2]" 1
313 1 32 CYS HB2 1 62 ALA MB 3.400 . 6.000 4.309 3.524 5.111 . 0 0 "[ . 1 . 2]" 1
314 1 32 CYS HB2 1 43 LYS HG3 4.200 2.400 6.000 5.448 4.643 6.042 0.042 12 0 "[ . 1 . 2]" 1
315 1 33 CYS HA 1 38 PHE HA 3.200 . 5.000 2.923 2.398 3.256 . 0 0 "[ . 1 . 2]" 1
316 1 33 CYS HA 1 62 ALA HA 4.200 2.400 6.000 3.832 3.354 4.335 . 0 0 "[ . 1 . 2]" 1
317 1 33 CYS HA 1 39 SER HA 4.200 2.400 6.000 4.651 3.960 5.281 . 0 0 "[ . 1 . 2]" 1
318 1 27 CYS HB3 1 33 CYS HA 4.200 2.400 6.000 4.530 3.125 5.790 . 0 0 "[ . 1 . 2]" 1
319 1 27 CYS HB2 1 33 CYS HA 4.200 2.400 6.000 4.974 4.080 6.049 0.049 11 0 "[ . 1 . 2]" 1
320 1 33 CYS HA 1 39 SER HB2 4.200 2.400 6.000 4.336 3.291 5.345 . 0 0 "[ . 1 . 2]" 1
321 1 13 CYS HB3 1 36 CYS HB3 3.200 . 5.000 3.859 1.876 5.114 0.114 12 0 "[ . 1 . 2]" 1
322 1 13 CYS HB2 1 36 CYS HB3 4.200 2.400 6.000 4.508 3.570 4.957 . 0 0 "[ . 1 . 2]" 1
323 1 25 ALA MB 1 36 CYS HB3 2.600 . 3.400 1.756 1.635 2.096 0.165 12 0 "[ . 1 . 2]" 1
324 1 21 LEU MD2 1 36 CYS HB3 4.200 2.400 6.000 3.246 2.753 3.741 . 0 0 "[ . 1 . 2]" 1
325 1 25 ALA MB 1 36 CYS HB2 2.600 . 3.400 2.427 1.790 2.754 0.010 1 0 "[ . 1 . 2]" 1
326 1 26 GLN HA 1 37 LYS HA 3.200 . 5.000 4.683 4.253 5.004 0.004 8 0 "[ . 1 . 2]" 1
327 1 26 GLN HB3 1 37 LYS HA 3.200 . 5.000 3.312 2.884 3.703 . 0 0 "[ . 1 . 2]" 1
328 1 26 GLN HB2 1 37 LYS HA 3.200 . 5.000 2.402 1.855 4.431 . 0 0 "[ . 1 . 2]" 1
329 1 26 GLN HB3 1 38 PHE HA 4.200 2.400 6.000 4.269 3.760 5.494 . 0 0 "[ . 1 . 2]" 1
330 1 26 GLN HB2 1 38 PHE HA 4.200 2.400 6.000 4.932 4.129 5.885 . 0 0 "[ . 1 . 2]" 1
331 1 38 PHE HB2 1 60 GLN QG 4.500 2.500 7.000 5.253 4.113 6.235 . 0 0 "[ . 1 . 2]" 1
332 1 34 GLU QG 1 39 SER HA 3.400 . 6.000 4.395 2.166 5.348 . 0 0 "[ . 1 . 2]" 1
333 1 34 GLU HB3 1 39 SER HA 4.200 2.400 6.000 4.585 3.111 5.938 . 0 0 "[ . 1 . 2]" 1
334 1 34 GLU HB2 1 39 SER HA 3.200 . 5.000 3.869 2.948 5.002 0.002 9 0 "[ . 1 . 2]" 1
335 1 39 SER HB2 1 57 CYS HB2 3.200 . 5.000 4.348 3.633 5.005 0.005 4 0 "[ . 1 . 2]" 1
336 1 32 CYS HB2 1 39 SER HB2 3.200 . 5.000 4.057 2.686 4.811 . 0 0 "[ . 1 . 2]" 1
337 1 40 ARG HA 1 59 GLY HA3 3.200 . 5.000 3.019 2.572 3.758 . 0 0 "[ . 1 . 2]" 1
338 1 41 ALA HA 1 57 CYS HB2 3.200 . 5.000 3.458 2.797 4.397 . 0 0 "[ . 1 . 2]" 1
339 1 42 GLY HA3 1 56 ARG HD3 3.200 . 5.000 4.267 3.254 5.005 0.005 12 0 "[ . 1 . 2]" 1
340 1 42 GLY HA3 1 56 ARG HD2 3.200 . 5.000 3.467 2.973 3.960 . 0 0 "[ . 1 . 2]" 1
341 1 42 GLY HA2 1 56 ARG HB3 3.200 . 5.000 2.271 1.836 4.065 . 0 0 "[ . 1 . 2]" 1
342 1 42 GLY HA2 1 56 ARG HB2 3.200 . 5.000 2.851 2.249 4.243 . 0 0 "[ . 1 . 2]" 1
343 1 43 LYS HA 1 57 CYS HB2 4.200 2.400 6.000 4.631 3.985 4.849 . 0 0 "[ . 1 . 2]" 1
344 1 44 ILE HA 1 56 ARG HD3 3.200 . 5.000 3.224 2.159 4.062 . 0 0 "[ . 1 . 2]" 1
345 1 44 ILE HA 1 54 ASP HB3 4.200 2.400 6.000 4.337 3.854 5.001 . 0 0 "[ . 1 . 2]" 1
346 1 44 ILE HA 1 54 ASP HB2 4.200 2.400 6.000 5.065 4.212 5.767 . 0 0 "[ . 1 . 2]" 1
347 1 31 LEU HA 1 45 CYS HA 4.200 2.400 6.000 6.006 5.794 6.151 0.151 10 0 "[ . 1 . 2]" 1
348 1 45 CYS HA 1 64 CYS HB3 3.200 . 5.000 5.110 5.052 5.177 0.177 10 0 "[ . 1 . 2]" 1
349 1 45 CYS HA 1 64 CYS HB2 3.200 . 5.000 3.853 3.470 4.167 . 0 0 "[ . 1 . 2]" 1
350 1 31 LEU HG 1 45 CYS HA 4.200 2.400 6.000 4.760 2.884 6.082 0.082 7 0 "[ . 1 . 2]" 1
351 1 31 LEU HB3 1 45 CYS HA 3.200 . 5.000 4.955 4.759 5.052 0.052 1 0 "[ . 1 . 2]" 1
352 1 31 LEU HB2 1 45 CYS HA 3.200 . 5.000 3.693 3.352 4.431 . 0 0 "[ . 1 . 2]" 1
353 1 31 LEU QD 1 45 CYS HA 4.500 2.500 7.500 2.911 1.704 3.932 0.796 5 4 "[ + -* *. 2]" 1
354 1 45 CYS HB3 1 64 CYS HB2 3.200 . 5.000 2.756 2.090 3.446 . 0 0 "[ . 1 . 2]" 1
355 1 31 LEU QD 1 45 CYS HB3 4.500 2.500 7.500 2.463 1.655 2.869 0.845 1 3 "[+ . 1 * - 2]" 1
356 1 46 ARG HD3 1 55 ASP HB3 4.200 2.400 6.000 4.869 3.651 6.008 0.008 7 0 "[ . 1 . 2]" 1
357 1 31 LEU QD 1 46 ARG HD3 5.000 2.500 8.400 5.185 4.030 6.012 . 0 0 "[ . 1 . 2]" 1
358 1 46 ARG HD2 1 55 ASP HB3 3.200 . 5.000 4.432 3.726 5.024 0.024 14 0 "[ . 1 . 2]" 1
359 1 31 LEU QD 1 46 ARG HD2 5.000 2.500 8.400 4.196 2.950 5.207 . 0 0 "[ . 1 . 2]" 1
360 1 48 PRO HD2 1 54 ASP HA 3.200 . 5.000 3.156 1.911 5.112 0.112 18 0 "[ . 1 . 2]" 1
361 1 48 PRO HD3 1 54 ASP HA 3.200 . 5.000 2.645 1.824 5.023 0.023 18 0 "[ . 1 . 2]" 1
362 1 48 PRO QB 1 54 ASP HA 4.500 2.500 7.000 4.356 1.983 5.826 0.517 17 1 "[ . 1 . + 2]" 1
363 1 48 PRO QG 1 54 ASP HA 3.400 . 6.000 3.136 2.068 5.000 . 0 0 "[ . 1 . 2]" 1
364 1 47 ILE HB 1 54 ASP HA 4.200 2.400 6.000 5.590 4.973 6.065 0.065 17 0 "[ . 1 . 2]" 1
365 1 47 ILE HG13 1 54 ASP HA 4.200 2.400 6.000 5.174 4.373 6.079 0.079 14 0 "[ . 1 . 2]" 1
366 1 47 ILE HG12 1 54 ASP HA 4.200 2.400 6.000 5.135 3.832 6.025 0.025 13 0 "[ . 1 . 2]" 1
367 1 44 ILE MD 1 54 ASP HA 3.400 . 6.000 3.353 2.166 3.901 . 0 0 "[ . 1 . 2]" 1
368 1 47 ILE MD 1 54 ASP HA 4.500 2.500 7.000 4.741 2.793 5.978 . 0 0 "[ . 1 . 2]" 1
369 1 44 ILE MD 1 54 ASP HB3 2.600 . 3.400 2.092 1.744 2.812 0.056 9 0 "[ . 1 . 2]" 1
370 1 44 ILE MD 1 55 ASP HA 4.500 2.500 7.000 4.374 3.821 4.768 . 0 0 "[ . 1 . 2]" 1
371 1 46 ARG QB 1 55 ASP HA 3.400 . 6.000 4.436 3.946 5.340 . 0 0 "[ . 1 . 2]" 1
372 1 46 ARG QB 1 55 ASP HB3 3.400 . 6.000 2.445 1.851 3.343 . 0 0 "[ . 1 . 2]" 1
373 1 44 ILE MD 1 55 ASP HB3 4.500 2.500 7.000 4.014 2.608 5.071 . 0 0 "[ . 1 . 2]" 1
374 1 42 GLY HA3 1 56 ARG HA 4.200 2.400 6.000 5.734 5.488 6.062 0.062 20 0 "[ . 1 . 2]" 1
375 1 42 GLY HA2 1 56 ARG HA 4.200 2.400 6.000 4.350 4.030 4.686 . 0 0 "[ . 1 . 2]" 1
376 1 44 ILE HA 1 56 ARG HA 2.600 . 3.400 2.477 2.312 2.677 . 0 0 "[ . 1 . 2]" 1
377 1 41 ALA HA 1 56 ARG HA 4.200 2.400 6.000 6.123 6.068 6.162 0.162 7 0 "[ . 1 . 2]" 1
378 1 44 ILE MG 1 56 ARG HA 3.400 . 6.000 4.820 4.664 5.076 . 0 0 "[ . 1 . 2]" 1
379 1 44 ILE MD 1 56 ARG HA 3.400 . 6.000 3.749 3.484 3.948 . 0 0 "[ . 1 . 2]" 1
380 1 44 ILE MD 1 56 ARG HD3 3.400 . 6.000 3.932 2.990 4.800 . 0 0 "[ . 1 . 2]" 1
381 1 57 CYS HA 1 64 CYS HA 3.200 . 5.000 3.937 2.986 4.455 . 0 0 "[ . 1 . 2]" 1
382 1 57 CYS HA 1 65 PRO HD3 3.200 . 5.000 3.758 2.963 4.536 . 0 0 "[ . 1 . 2]" 1
383 1 57 CYS HA 1 65 PRO HD2 3.200 . 5.000 3.154 2.162 4.116 . 0 0 "[ . 1 . 2]" 1
384 1 45 CYS HB3 1 57 CYS HA 4.200 2.400 6.000 3.948 2.761 4.622 . 0 0 "[ . 1 . 2]" 1
385 1 45 CYS HB2 1 57 CYS HA 4.200 2.400 6.000 5.175 4.208 5.923 . 0 0 "[ . 1 . 2]" 1
386 1 57 CYS HA 1 65 PRO HG3 4.200 2.400 6.000 4.352 2.656 6.004 0.004 3 0 "[ . 1 . 2]" 1
387 1 57 CYS HA 1 65 PRO HG2 4.200 2.400 6.000 4.110 2.685 5.524 . 0 0 "[ . 1 . 2]" 1
388 1 43 LYS HG3 1 57 CYS HA 4.200 2.400 6.000 5.598 5.185 6.086 0.086 14 0 "[ . 1 . 2]" 1
389 1 41 ALA MB 1 57 CYS HA 4.500 2.500 7.000 5.338 5.004 5.627 . 0 0 "[ . 1 . 2]" 1
390 1 43 LYS HG3 1 57 CYS HB3 3.200 . 5.000 4.621 2.600 5.054 0.054 17 0 "[ . 1 . 2]" 1
391 1 41 ALA MB 1 57 CYS HB3 4.500 2.500 7.000 4.966 4.026 5.546 . 0 0 "[ . 1 . 2]" 1
392 1 43 LYS QB 1 57 CYS HB2 3.400 . 6.000 1.822 1.696 1.904 0.104 12 0 "[ . 1 . 2]" 1
393 1 43 LYS HG3 1 57 CYS HB2 3.200 . 5.000 3.613 2.724 4.007 . 0 0 "[ . 1 . 2]" 1
394 1 43 LYS HG2 1 57 CYS HB2 3.200 . 5.000 3.749 2.204 4.558 . 0 0 "[ . 1 . 2]" 1
395 1 41 ALA MB 1 57 CYS HB2 4.500 2.500 7.000 4.931 4.416 5.732 . 0 0 "[ . 1 . 2]" 1
396 1 41 ALA MB 1 58 THR HB 3.400 . 6.000 3.719 3.410 4.568 . 0 0 "[ . 1 . 2]" 1
397 1 41 ALA HA 1 59 GLY HA3 3.200 . 5.000 3.185 2.829 3.624 . 0 0 "[ . 1 . 2]" 1
398 1 41 ALA MB 1 59 GLY HA3 2.600 . 3.400 2.445 1.857 2.694 . 0 0 "[ . 1 . 2]" 1
399 1 32 CYS HB3 1 62 ALA HA 3.200 . 5.000 3.584 2.116 4.512 . 0 0 "[ . 1 . 2]" 1
400 1 32 CYS HB2 1 62 ALA HA 3.200 . 5.000 2.898 1.859 3.881 . 0 0 "[ . 1 . 2]" 1
401 1 31 LEU HG 1 63 ASP HA 3.200 . 5.000 3.347 2.097 5.068 0.068 10 0 "[ . 1 . 2]" 1
402 1 31 LEU HB3 1 63 ASP HB3 4.200 2.400 6.000 5.927 5.476 6.034 0.034 19 0 "[ . 1 . 2]" 1
403 1 31 LEU QD 1 63 ASP HB3 5.000 2.500 8.400 3.292 2.547 3.883 . 0 0 "[ . 1 . 2]" 1
404 1 45 CYS HB3 1 64 CYS HA 4.200 2.400 6.000 3.738 2.988 4.231 . 0 0 "[ . 1 . 2]" 1
405 1 45 CYS HB2 1 64 CYS HA 4.200 2.400 6.000 3.448 2.282 4.211 0.118 10 0 "[ . 1 . 2]" 1
406 1 31 LEU HB2 1 64 CYS HA 4.200 2.400 6.000 5.862 5.555 6.186 0.186 5 0 "[ . 1 . 2]" 1
407 1 58 THR MG 1 64 CYS HA 4.500 2.500 7.000 5.494 4.746 5.790 . 0 0 "[ . 1 . 2]" 1
408 1 31 LEU QD 1 64 CYS HA 2.600 . 3.400 2.289 1.899 2.521 . 0 0 "[ . 1 . 2]" 1
409 1 31 LEU HG 1 64 CYS HB2 3.200 . 5.000 3.273 1.809 3.982 . 0 0 "[ . 1 . 2]" 1
410 1 31 LEU HB3 1 64 CYS HB2 3.200 . 5.000 4.405 3.790 4.745 . 0 0 "[ . 1 . 2]" 1
411 1 31 LEU HB2 1 64 CYS HB2 3.200 . 5.000 4.014 3.757 4.709 . 0 0 "[ . 1 . 2]" 1
412 1 31 LEU QD 1 64 CYS HB2 3.200 . 5.000 1.600 1.506 1.819 0.294 19 0 "[ . 1 . 2]" 1
413 1 58 THR MG 1 65 PRO HD3 3.400 . 6.000 4.239 4.008 4.530 . 0 0 "[ . 1 . 2]" 1
414 1 45 CYS HB2 1 65 PRO HD2 4.200 2.400 6.000 4.667 3.328 5.884 . 0 0 "[ . 1 . 2]" 1
415 1 45 CYS HB3 1 65 PRO HD3 4.200 2.400 6.000 5.191 3.831 6.081 0.081 12 0 "[ . 1 . 2]" 1
416 1 45 CYS HB2 1 65 PRO HD3 4.200 2.400 6.000 5.279 3.938 6.091 0.091 3 0 "[ . 1 . 2]" 1
417 1 26 GLN HE21 1 38 PHE QE 5.000 2.500 7.500 4.875 3.224 5.735 . 0 0 "[ . 1 . 2]" 1
418 1 26 GLN HA 1 38 PHE QD 5.000 2.500 8.400 4.671 4.163 5.317 . 0 0 "[ . 1 . 2]" 1
419 1 26 GLN QG 1 38 PHE QD 5.000 2.500 7.500 2.173 1.843 3.744 0.657 4 11 "[* *+* * * * .**-*2]" 1
420 1 26 GLN HB3 1 38 PHE QD 4.500 2.500 7.500 2.711 2.147 4.081 0.353 11 0 "[ . 1 . 2]" 1
421 1 26 GLN HB2 1 38 PHE QD 4.500 2.500 7.500 3.667 3.245 3.930 . 0 0 "[ . 1 . 2]" 1
422 1 26 GLN H 1 38 PHE QE 5.000 2.500 8.400 5.764 5.525 6.177 . 0 0 "[ . 1 . 2]" 1
423 1 26 GLN QG 1 38 PHE QE 4.500 2.500 7.500 2.715 2.013 4.834 0.487 2 0 "[ . 1 . 2]" 1
424 1 26 GLN HB3 1 38 PHE QE 4.500 2.500 7.500 3.188 2.866 4.968 . 0 0 "[ . 1 . 2]" 1
425 1 26 GLN HB2 1 38 PHE QE 4.500 2.500 7.500 4.441 3.612 4.842 . 0 0 "[ . 1 . 2]" 1
426 1 27 CYS H 1 38 PHE QD 5.000 2.500 8.400 5.238 4.718 5.686 . 0 0 "[ . 1 . 2]" 1
427 1 27 CYS HA 1 38 PHE QD 5.000 2.500 8.400 5.346 4.856 6.069 . 0 0 "[ . 1 . 2]" 1
428 1 27 CYS HB3 1 38 PHE QD 4.500 2.500 7.500 3.265 2.736 3.973 . 0 0 "[ . 1 . 2]" 1
429 1 27 CYS HB2 1 38 PHE QD 4.500 2.500 7.500 4.086 3.069 4.971 . 0 0 "[ . 1 . 2]" 1
430 1 27 CYS H 1 38 PHE QE 5.000 2.500 8.400 5.058 4.595 5.523 . 0 0 "[ . 1 . 2]" 1
431 1 27 CYS HB3 1 38 PHE QE 3.400 . 5.200 2.680 1.969 3.555 . 0 0 "[ . 1 . 2]" 1
432 1 33 CYS HA 1 38 PHE QD 4.500 2.500 7.500 3.967 3.410 4.577 . 0 0 "[ . 1 . 2]" 1
433 1 33 CYS HB2 1 38 PHE QD 5.000 2.500 8.400 4.855 3.290 6.167 . 0 0 "[ . 1 . 2]" 1
434 1 33 CYS HB2 1 38 PHE QE 5.000 2.500 8.400 5.454 3.889 6.690 . 0 0 "[ . 1 . 2]" 1
435 1 38 PHE QD 1 60 GLN H 5.000 2.500 8.400 5.556 5.148 6.129 . 0 0 "[ . 1 . 2]" 1
436 1 38 PHE QD 1 60 GLN HA 3.400 . 5.200 3.426 2.770 3.900 . 0 0 "[ . 1 . 2]" 1
437 1 38 PHE QE 1 60 GLN H 5.000 2.500 8.400 6.655 6.010 7.313 . 0 0 "[ . 1 . 2]" 1
438 1 38 PHE QD 1 61 SER H 5.000 2.500 8.400 4.645 3.843 5.107 . 0 0 "[ . 1 . 2]" 1
439 1 38 PHE QD 1 61 SER HB2 5.000 2.500 8.400 5.879 5.143 6.532 . 0 0 "[ . 1 . 2]" 1
440 1 38 PHE QE 1 61 SER HA 5.000 2.500 8.400 3.827 3.100 4.623 . 0 0 "[ . 1 . 2]" 1
441 1 38 PHE QE 1 61 SER HB2 5.000 2.500 8.400 6.045 5.035 6.877 . 0 0 "[ . 1 . 2]" 1
442 1 38 PHE QD 1 62 ALA H 4.500 2.500 7.500 3.529 2.701 4.390 . 0 0 "[ . 1 . 2]" 1
443 1 38 PHE QD 1 62 ALA HA 4.500 2.500 7.500 2.499 2.177 2.942 0.323 12 0 "[ . 1 . 2]" 1
444 1 38 PHE QE 1 62 ALA H 4.500 2.500 7.500 2.606 1.858 3.465 0.642 20 3 "[ .* 1 .- +]" 1
445 1 38 PHE QE 1 62 ALA HA 4.500 2.500 7.500 3.328 2.474 3.754 0.026 9 0 "[ . 1 . 2]" 1
446 1 53 PRO HD2 1 67 TYR QD 5.000 2.500 8.400 6.024 4.730 7.596 . 0 0 "[ . 1 . 2]" 1
447 1 53 PRO HB2 1 67 TYR QD 5.000 2.500 8.400 4.457 2.503 7.091 . 0 0 "[ . 1 . 2]" 1
448 1 53 PRO HB2 1 67 TYR QE 5.000 2.500 8.400 4.587 1.922 7.625 0.578 14 1 "[ . 1 +. 2]" 1
449 1 56 ARG H 1 67 TYR QD 5.000 2.500 8.400 5.156 3.722 6.971 . 0 0 "[ . 1 . 2]" 1
450 1 6 CYS HB2 1 11 ASN HD22 4.200 2.400 6.000 3.985 2.802 5.353 . 0 0 "[ . 1 . 2]" 1
451 1 6 CYS HB2 1 11 ASN HD21 3.200 . 5.000 2.960 2.003 4.506 . 0 0 "[ . 1 . 2]" 1
452 1 6 CYS HA 1 11 ASN HD21 4.200 2.400 6.000 4.822 3.854 6.003 0.003 12 0 "[ . 1 . 2]" 1
453 1 11 ASN HD22 1 28 GLY HA3 3.200 . 5.000 3.271 1.923 5.006 0.006 1 0 "[ . 1 . 2]" 1
454 1 11 ASN HD22 1 28 GLY HA2 4.200 2.400 6.000 3.383 2.380 5.044 0.020 2 0 "[ . 1 . 2]" 1
455 1 11 ASN HD21 1 28 GLY HA2 4.200 2.400 6.000 4.606 3.554 5.932 . 0 0 "[ . 1 . 2]" 1
456 1 11 ASN HD22 1 29 GLU HB3 4.200 2.400 6.000 3.629 2.525 5.122 . 0 0 "[ . 1 . 2]" 1
457 1 11 ASN HD22 1 29 GLU HB2 4.200 2.400 6.000 4.391 2.400 5.390 . 0 0 "[ . 1 . 2]" 1
458 1 11 ASN HD22 1 29 GLU HG3 4.200 2.400 6.000 5.095 2.908 6.009 0.009 11 0 "[ . 1 . 2]" 1
459 1 11 ASN HD22 1 29 GLU HG2 4.200 2.400 6.000 4.723 3.681 5.977 . 0 0 "[ . 1 . 2]" 1
460 1 11 ASN HD21 1 29 GLU HG3 4.200 2.400 6.000 4.683 2.415 5.982 . 0 0 "[ . 1 . 2]" 1
461 1 11 ASN HD21 1 29 GLU HB2 4.200 2.400 6.000 4.121 2.396 5.093 0.004 20 0 "[ . 1 . 2]" 1
462 1 11 ASN HD21 1 29 GLU HB3 4.200 2.400 6.000 3.326 2.404 5.247 . 0 0 "[ . 1 . 2]" 1
463 1 11 ASN HD21 1 29 GLU HG2 4.200 2.400 6.000 4.070 3.221 5.384 . 0 0 "[ . 1 . 2]" 1
464 1 26 GLN HE22 1 38 PHE H 4.200 2.400 6.000 5.142 3.589 5.934 . 0 0 "[ . 1 . 2]" 1
465 1 4 CYS H 1 6 CYS H 4.200 2.400 6.000 5.546 5.262 5.902 . 0 0 "[ . 1 . 2]" 1
466 1 8 SER H 1 11 ASN H 4.200 2.400 6.000 4.978 4.505 5.959 . 0 0 "[ . 1 . 2]" 1
467 1 11 ASN H 1 13 CYS H 4.200 2.400 6.000 5.501 4.482 5.957 . 0 0 "[ . 1 . 2]" 1
468 1 16 ALA H 1 18 THR H 4.200 2.400 6.000 4.359 3.987 4.763 . 0 0 "[ . 1 . 2]" 1
469 1 18 THR H 1 20 LYS H 4.200 2.400 6.000 3.657 3.480 4.055 . 0 0 "[ . 1 . 2]" 1
470 1 15 ASP H 1 19 CYS H 4.200 2.400 6.000 4.869 4.372 5.330 . 0 0 "[ . 1 . 2]" 1
471 1 16 ALA H 1 19 CYS H 4.200 2.400 6.000 4.304 4.116 4.611 . 0 0 "[ . 1 . 2]" 1
472 1 22 ARG H 1 25 ALA H 4.200 2.400 6.000 5.173 4.147 5.509 . 0 0 "[ . 1 . 2]" 1
473 1 31 LEU H 1 33 CYS H 4.200 2.400 6.000 4.005 3.170 5.107 . 0 0 "[ . 1 . 2]" 1
474 1 34 GLU H 1 36 CYS H 4.200 2.400 6.000 4.325 3.945 4.673 . 0 0 "[ . 1 . 2]" 1
475 1 34 GLU H 1 37 LYS H 3.200 . 5.000 3.033 2.682 3.485 . 0 0 "[ . 1 . 2]" 1
476 1 34 GLU H 1 38 PHE H 4.200 2.400 6.000 5.105 4.741 5.450 . 0 0 "[ . 1 . 2]" 1
477 1 35 GLN H 1 37 LYS H 4.200 2.400 6.000 4.066 3.752 4.482 . 0 0 "[ . 1 . 2]" 1
478 1 40 ARG H 1 43 LYS H 4.200 2.400 6.000 5.777 5.453 6.020 0.020 13 0 "[ . 1 . 2]" 1
479 1 41 ALA H 1 43 LYS H 4.200 2.400 6.000 5.241 5.060 5.373 . 0 0 "[ . 1 . 2]" 1
480 1 44 ILE H 1 46 ARG H 4.200 2.400 6.000 5.849 5.464 6.018 0.018 17 0 "[ . 1 . 2]" 1
481 1 49 ARG H 1 52 MET H 4.200 2.400 6.000 5.168 3.160 6.121 0.121 17 0 "[ . 1 . 2]" 1
482 1 50 GLY H 1 52 MET H 4.200 2.400 6.000 4.096 2.426 5.740 . 0 0 "[ . 1 . 2]" 1
483 1 58 THR H 1 60 GLN H 4.200 2.400 6.000 3.961 3.282 4.888 . 0 0 "[ . 1 . 2]" 1
484 1 58 THR H 1 61 SER H 4.200 2.400 6.000 3.349 2.904 4.043 . 0 0 "[ . 1 . 2]" 1
485 1 59 GLY H 1 61 SER H 3.200 . 5.000 3.119 2.901 3.269 . 0 0 "[ . 1 . 2]" 1
486 1 44 ILE MG 1 45 CYS H 4.500 2.500 7.000 3.990 3.174 4.197 . 0 0 "[ . 1 . 2]" 1
487 1 47 ILE MG 1 49 ARG H 3.400 . 6.000 4.549 3.421 4.879 . 0 0 "[ . 1 . 2]" 1
488 1 26 GLN QG 1 27 CYS H 4.200 2.400 5.000 4.507 3.402 4.695 . 0 0 "[ . 1 . 2]" 1
489 1 37 LYS HG2 1 38 PHE H 4.200 2.400 6.000 3.938 2.716 5.014 . 0 0 "[ . 1 . 2]" 1
490 1 43 LYS HG2 1 44 ILE H 3.200 . 5.000 4.746 3.855 5.012 0.012 3 0 "[ . 1 . 2]" 1
491 1 12 PRO QG 1 13 CYS H 3.400 . 6.000 3.115 2.628 4.097 . 0 0 "[ . 1 . 2]" 1
492 1 37 LYS HG3 1 38 PHE H 4.200 2.400 6.000 4.243 2.473 5.505 . 0 0 "[ . 1 . 2]" 1
493 1 43 LYS HG3 1 44 ILE H 3.200 . 5.000 3.967 3.212 5.292 0.292 3 0 "[ . 1 . 2]" 1
494 1 2 LYS QG 1 4 CYS H 4.500 2.500 7.000 4.587 2.648 5.607 . 0 0 "[ . 1 . 2]" 1
495 1 15 ASP H 1 18 THR MG 4.500 2.500 7.000 4.781 3.477 5.768 . 0 0 "[ . 1 . 2]" 1
496 1 17 ALA H 1 18 THR MG 3.400 . 6.000 4.134 3.812 4.608 . 0 0 "[ . 1 . 2]" 1
497 1 18 THR MG 1 19 CYS H 3.400 . 6.000 3.402 2.200 4.095 . 0 0 "[ . 1 . 2]" 1
498 1 20 LYS QG 1 21 LEU H 3.400 . 6.000 3.915 3.546 4.157 . 0 0 "[ . 1 . 2]" 1
499 1 23 PRO QG 1 24 GLY H 4.500 2.500 7.000 3.787 3.626 4.228 . 0 0 "[ . 1 . 2]" 1
500 1 29 GLU QG 1 30 GLY H 4.500 2.500 7.000 3.354 1.832 4.065 0.668 20 1 "[ . 1 . +]" 1
501 1 35 GLN QG 1 36 CYS H 4.500 2.500 7.000 4.472 4.210 4.688 . 0 0 "[ . 1 . 2]" 1
502 1 34 GLU QG 1 37 LYS H 3.400 . 6.000 5.032 3.057 5.392 . 0 0 "[ . 1 . 2]" 1
503 1 46 ARG QG 1 47 ILE H 3.400 . 6.000 3.204 1.852 4.164 . 0 0 "[ . 1 . 2]" 1
504 1 49 ARG QG 1 50 GLY H 3.400 . 6.000 3.725 2.064 4.631 . 0 0 "[ . 1 . 2]" 1
505 1 51 ASP H 1 52 MET QG 4.500 2.500 7.000 4.673 3.087 5.902 . 0 0 "[ . 1 . 2]" 1
506 1 58 THR MG 1 59 GLY H 4.500 2.500 7.000 3.903 2.670 4.374 . 0 0 "[ . 1 . 2]" 1
507 1 58 THR MG 1 60 GLN H 4.500 2.500 7.000 4.067 2.074 4.857 0.426 17 0 "[ . 1 . 2]" 1
508 1 58 THR MG 1 61 SER H 4.500 2.500 7.000 3.841 1.822 4.651 0.678 17 2 "[ . 1 -. + 2]" 1
509 1 65 PRO QG 1 66 ARG H 4.500 2.500 7.000 3.752 2.150 4.625 0.350 14 0 "[ . 1 . 2]" 1
510 1 66 ARG QG 1 67 TYR H 3.400 . 6.000 3.630 2.321 4.451 . 0 0 "[ . 1 . 2]" 1
511 1 66 ARG QG 1 68 HIS H 4.500 2.500 7.000 4.044 2.249 6.161 0.251 2 0 "[ . 1 . 2]" 1
512 1 31 LEU HG 1 32 CYS H 4.200 2.400 6.000 3.519 2.695 4.689 . 0 0 "[ . 1 . 2]" 1
513 1 21 LEU MD2 1 22 ARG H 3.400 . 6.000 3.665 2.484 4.208 . 0 0 "[ . 1 . 2]" 1
514 1 52 MET H 1 53 PRO HD2 4.200 2.400 6.000 4.619 2.296 5.001 0.104 15 0 "[ . 1 . 2]" 1
515 1 56 ARG HD2 1 57 CYS H 4.200 2.400 6.000 5.384 4.270 6.007 0.007 8 0 "[ . 1 . 2]" 1
516 1 12 PRO HD3 1 13 CYS H 3.200 . 5.000 3.782 3.648 4.245 . 0 0 "[ . 1 . 2]" 1
517 1 12 PRO HD2 1 13 CYS H 3.200 . 5.000 2.519 2.258 3.328 . 0 0 "[ . 1 . 2]" 1
518 1 52 MET H 1 53 PRO HD3 4.200 2.400 6.000 4.607 2.694 4.876 . 0 0 "[ . 1 . 2]" 1
519 1 56 ARG HD3 1 57 CYS H 3.200 . 5.000 4.645 3.827 5.013 0.013 19 0 "[ . 1 . 2]" 1
520 1 31 LEU QD 1 32 CYS H 5.000 2.500 8.400 1.817 1.720 2.026 0.780 19 19 "[****************- +*]" 1
521 1 31 LEU QD 1 33 CYS H 5.000 2.500 8.400 3.960 3.536 4.535 . 0 0 "[ . 1 . 2]" 1
522 1 37 LYS QD 1 38 PHE H 4.500 2.500 7.000 4.515 2.670 5.455 . 0 0 "[ . 1 . 2]" 1
523 1 40 ARG QD 1 41 ALA H 3.400 . 6.000 4.658 3.068 5.227 . 0 0 "[ . 1 . 2]" 1
524 1 44 ILE MD 1 45 CYS H 3.400 . 6.000 2.819 1.970 3.368 . 0 0 "[ . 1 . 2]" 1
525 1 44 ILE MD 1 46 ARG H 2.600 . 3.400 2.290 1.848 2.640 . 0 0 "[ . 1 . 2]" 1
526 1 49 ARG QD 1 50 GLY H 4.500 2.500 7.000 4.682 3.562 5.689 . 0 0 "[ . 1 . 2]" 1
527 1 3 GLU HB2 1 4 CYS H 3.200 . 5.000 3.865 3.193 4.677 . 0 0 "[ . 1 . 2]" 1
528 1 4 CYS HB2 1 5 ASP H 3.200 . 5.000 4.441 4.158 4.645 . 0 0 "[ . 1 . 2]" 1
529 1 4 CYS HB2 1 6 CYS H 3.200 . 5.000 4.870 4.606 5.009 0.009 11 0 "[ . 1 . 2]" 1
530 1 6 CYS HB2 1 7 SER H 4.200 2.400 6.000 2.874 2.298 4.507 0.102 17 0 "[ . 1 . 2]" 1
531 1 6 CYS HB2 1 8 SER H 3.200 . 5.000 2.854 2.460 4.366 . 0 0 "[ . 1 . 2]" 1
532 1 8 SER H 1 11 ASN HB2 4.200 2.400 6.000 4.089 3.502 6.009 0.009 9 0 "[ . 1 . 2]" 1
533 1 8 SER HB2 1 10 GLU H 3.200 . 5.000 4.001 2.757 4.942 . 0 0 "[ . 1 . 2]" 1
534 1 10 GLU H 1 11 ASN HB2 3.200 . 5.000 4.676 3.843 5.073 0.073 9 0 "[ . 1 . 2]" 1
535 1 10 GLU HB2 1 11 ASN H 4.200 2.400 6.000 3.836 2.842 4.597 . 0 0 "[ . 1 . 2]" 1
536 1 13 CYS HB2 1 14 CYS H 3.200 . 5.000 3.642 2.799 4.204 . 0 0 "[ . 1 . 2]" 1
537 1 14 CYS HB2 1 15 ASP H 3.200 . 5.000 3.365 2.284 4.254 . 0 0 "[ . 1 . 2]" 1
538 1 15 ASP HB2 1 16 ALA H 3.200 . 5.000 4.453 4.332 4.544 . 0 0 "[ . 1 . 2]" 1
539 1 15 ASP HB2 1 17 ALA H 4.200 2.400 6.000 4.973 4.685 5.288 . 0 0 "[ . 1 . 2]" 1
540 1 15 ASP HB2 1 18 THR H 4.200 2.400 6.000 4.226 3.978 4.490 . 0 0 "[ . 1 . 2]" 1
541 1 15 ASP HB2 1 19 CYS H 4.200 2.400 6.000 4.910 4.656 5.156 . 0 0 "[ . 1 . 2]" 1
542 1 19 CYS HB2 1 20 LYS H 4.200 2.400 6.000 4.431 4.152 4.609 . 0 0 "[ . 1 . 2]" 1
543 1 27 CYS HB2 1 28 GLY H 3.200 . 5.000 3.210 2.643 4.094 . 0 0 "[ . 1 . 2]" 1
544 1 28 GLY H 1 29 GLU HB2 4.200 2.400 6.000 5.774 5.034 6.101 0.101 1 0 "[ . 1 . 2]" 1
545 1 27 CYS HB2 1 29 GLU H 3.200 . 5.000 3.289 2.393 4.429 . 0 0 "[ . 1 . 2]" 1
546 1 29 GLU H 1 33 CYS HB2 4.200 2.400 6.000 4.627 3.695 5.313 . 0 0 "[ . 1 . 2]" 1
547 1 29 GLU HB2 1 30 GLY H 3.200 . 5.000 2.951 1.911 4.219 . 0 0 "[ . 1 . 2]" 1
548 1 30 GLY H 1 33 CYS HB2 3.200 . 5.000 4.146 2.945 5.039 0.039 4 0 "[ . 1 . 2]" 1
549 1 31 LEU HB2 1 32 CYS H 3.200 . 5.000 3.869 3.445 4.359 . 0 0 "[ . 1 . 2]" 1
550 1 33 CYS HB2 1 34 GLU H 4.200 2.400 6.000 4.462 4.300 4.569 . 0 0 "[ . 1 . 2]" 1
551 1 34 GLU H 1 37 LYS HB2 4.200 2.400 6.000 4.300 3.276 5.134 . 0 0 "[ . 1 . 2]" 1
552 1 34 GLU HB2 1 35 GLN H 3.200 . 5.000 4.350 3.638 4.632 . 0 0 "[ . 1 . 2]" 1
553 1 35 GLN HB2 1 36 CYS H 4.200 2.400 6.000 4.370 4.034 4.601 . 0 0 "[ . 1 . 2]" 1
554 1 35 GLN HB2 1 37 LYS H 4.200 2.400 6.000 4.410 3.502 5.150 . 0 0 "[ . 1 . 2]" 1
555 1 36 CYS HB2 1 37 LYS H 4.200 2.400 6.000 4.054 3.734 4.387 . 0 0 "[ . 1 . 2]" 1
556 1 37 LYS HB2 1 38 PHE H 3.200 . 5.000 4.167 2.625 4.513 . 0 0 "[ . 1 . 2]" 1
557 1 38 PHE HB2 1 39 SER H 3.200 . 5.000 4.408 4.232 4.587 . 0 0 "[ . 1 . 2]" 1
558 1 39 SER HB2 1 40 ARG H 3.200 . 5.000 3.085 2.055 4.055 . 0 0 "[ . 1 . 2]" 1
559 1 55 ASP HB2 1 56 ARG H 3.200 . 5.000 4.357 3.944 4.691 . 0 0 "[ . 1 . 2]" 1
560 1 56 ARG HB2 1 57 CYS H 3.200 . 5.000 4.010 3.702 4.566 . 0 0 "[ . 1 . 2]" 1
561 1 57 CYS HB2 1 58 THR H 4.200 2.400 6.000 3.803 3.476 4.250 . 0 0 "[ . 1 . 2]" 1
562 1 60 GLN H 1 61 SER HB2 3.200 . 5.000 4.480 3.946 5.011 0.011 15 0 "[ . 1 . 2]" 1
563 1 60 GLN HB2 1 61 SER H 4.200 2.400 6.000 3.504 3.204 4.311 . 0 0 "[ . 1 . 2]" 1
564 1 61 SER HB2 1 62 ALA H 3.200 . 5.000 4.073 3.527 4.489 . 0 0 "[ . 1 . 2]" 1
565 1 61 SER HB2 1 63 ASP H 3.200 . 5.000 4.844 4.186 5.062 0.062 12 0 "[ . 1 . 2]" 1
566 1 66 ARG HB2 1 68 HIS H 3.200 . 5.000 4.050 2.203 5.034 0.034 12 0 "[ . 1 . 2]" 1
567 1 67 TYR HB2 1 68 HIS H 3.200 . 5.000 4.015 2.301 4.655 . 0 0 "[ . 1 . 2]" 1
568 1 3 GLU HB3 1 4 CYS H 3.200 . 5.000 4.037 3.403 4.645 . 0 0 "[ . 1 . 2]" 1
569 1 4 CYS HB3 1 5 ASP H 4.200 2.400 6.000 3.950 3.271 4.383 . 0 0 "[ . 1 . 2]" 1
570 1 4 CYS HB3 1 6 CYS H 3.200 . 5.000 3.875 3.213 4.709 . 0 0 "[ . 1 . 2]" 1
571 1 6 CYS HB3 1 7 SER H 4.200 2.400 6.000 3.996 3.589 4.370 . 0 0 "[ . 1 . 2]" 1
572 1 6 CYS HB3 1 8 SER H 3.200 . 5.000 4.254 2.827 5.040 0.040 17 0 "[ . 1 . 2]" 1
573 1 7 SER HB3 1 8 SER H 3.200 . 5.000 3.929 2.722 4.546 . 0 0 "[ . 1 . 2]" 1
574 1 8 SER H 1 11 ASN HB3 3.200 . 5.000 4.279 3.790 4.966 . 0 0 "[ . 1 . 2]" 1
575 1 8 SER HB3 1 10 GLU H 3.200 . 5.000 3.372 2.587 4.972 . 0 0 "[ . 1 . 2]" 1
576 1 10 GLU H 1 11 ASN HB3 3.200 . 5.000 4.857 3.531 5.043 0.043 5 0 "[ . 1 . 2]" 1
577 1 10 GLU HB3 1 11 ASN H 3.200 . 5.000 3.686 2.603 4.425 . 0 0 "[ . 1 . 2]" 1
578 1 12 PRO HB3 1 13 CYS H 4.200 2.400 6.000 4.371 4.162 4.696 . 0 0 "[ . 1 . 2]" 1
579 1 12 PRO HB2 1 13 CYS H 3.200 . 5.000 3.671 3.311 4.247 . 0 0 "[ . 1 . 2]" 1
580 1 13 CYS H 1 14 CYS HB3 4.200 2.400 6.000 4.928 4.297 5.521 . 0 0 "[ . 1 . 2]" 1
581 1 12 PRO QG 1 14 CYS H 4.500 2.500 7.000 5.189 4.799 5.720 . 0 0 "[ . 1 . 2]" 1
582 1 13 CYS HB3 1 14 CYS H 3.200 . 5.000 3.538 2.674 3.998 . 0 0 "[ . 1 . 2]" 1
583 1 14 CYS HB3 1 15 ASP H 3.200 . 5.000 4.213 3.345 4.387 . 0 0 "[ . 1 . 2]" 1
584 1 15 ASP HB3 1 16 ALA H 3.200 . 5.000 4.013 3.725 4.257 . 0 0 "[ . 1 . 2]" 1
585 1 15 ASP HB3 1 18 THR H 4.200 2.400 6.000 2.597 2.398 2.815 0.002 3 0 "[ . 1 . 2]" 1
586 1 15 ASP HB3 1 19 CYS H 2.600 . 3.400 3.258 2.967 3.467 0.067 4 0 "[ . 1 . 2]" 1
587 1 19 CYS HB3 1 20 LYS H 4.200 2.400 6.000 4.014 3.767 4.714 . 0 0 "[ . 1 . 2]" 1
588 1 20 LYS HB3 1 21 LEU H 3.200 . 5.000 2.330 1.924 2.756 . 0 0 "[ . 1 . 2]" 1
589 1 27 CYS HB3 1 28 GLY H 3.200 . 5.000 4.097 3.657 4.462 . 0 0 "[ . 1 . 2]" 1
590 1 28 GLY H 1 29 GLU HB3 4.200 2.400 6.000 5.027 4.523 5.719 . 0 0 "[ . 1 . 2]" 1
591 1 27 CYS HB3 1 29 GLU H 3.200 . 5.000 4.474 4.104 4.600 . 0 0 "[ . 1 . 2]" 1
592 1 29 GLU H 1 33 CYS HB3 4.200 2.400 6.000 4.523 4.038 5.217 . 0 0 "[ . 1 . 2]" 1
593 1 31 LEU HB3 1 32 CYS H 3.200 . 5.000 4.210 3.689 4.492 . 0 0 "[ . 1 . 2]" 1
594 1 32 CYS H 1 33 CYS HB3 4.200 2.400 6.000 5.136 4.095 5.850 . 0 0 "[ . 1 . 2]" 1
595 1 33 CYS HB3 1 34 GLU H 4.200 2.400 6.000 4.085 3.481 4.469 . 0 0 "[ . 1 . 2]" 1
596 1 34 GLU HB3 1 35 GLN H 4.200 2.400 6.000 3.841 3.090 4.483 . 0 0 "[ . 1 . 2]" 1
597 1 35 GLN HB3 1 36 CYS H 4.200 2.400 6.000 4.186 3.941 4.522 . 0 0 "[ . 1 . 2]" 1
598 1 34 GLU HB3 1 37 LYS H 4.200 2.400 6.000 4.797 4.311 5.584 . 0 0 "[ . 1 . 2]" 1
599 1 35 GLN HB3 1 37 LYS H 4.200 2.400 6.000 4.000 3.129 4.934 . 0 0 "[ . 1 . 2]" 1
600 1 36 CYS HB3 1 37 LYS H 4.200 2.400 6.000 4.397 4.186 4.561 . 0 0 "[ . 1 . 2]" 1
601 1 37 LYS HB3 1 38 PHE H 3.200 . 5.000 3.413 2.854 4.051 . 0 0 "[ . 1 . 2]" 1
602 1 38 PHE HB3 1 39 SER H 3.200 . 5.000 3.569 3.301 3.917 . 0 0 "[ . 1 . 2]" 1
603 1 39 SER HB3 1 40 ARG H 3.200 . 5.000 2.293 1.840 3.690 . 0 0 "[ . 1 . 2]" 1
604 1 40 ARG QB 1 41 ALA H 2.600 . 3.400 2.841 2.427 3.086 . 0 0 "[ . 1 . 2]" 1
605 1 54 ASP HB3 1 55 ASP H 3.200 . 5.000 2.934 1.961 3.785 . 0 0 "[ . 1 . 2]" 1
606 1 55 ASP HB3 1 56 ARG H 3.200 . 5.000 3.664 2.993 4.193 . 0 0 "[ . 1 . 2]" 1
607 1 56 ARG HB3 1 57 CYS H 3.200 . 5.000 3.270 2.909 4.237 . 0 0 "[ . 1 . 2]" 1
608 1 57 CYS HB3 1 58 THR H 3.200 . 5.000 2.874 2.491 3.701 . 0 0 "[ . 1 . 2]" 1
609 1 60 GLN H 1 61 SER HB3 4.200 2.400 6.000 4.976 3.790 6.024 0.024 5 0 "[ . 1 . 2]" 1
610 1 60 GLN HB3 1 61 SER H 3.200 . 5.000 4.208 3.927 4.515 . 0 0 "[ . 1 . 2]" 1
611 1 61 SER HB3 1 63 ASP H 3.200 . 5.000 4.181 3.183 5.021 0.021 11 0 "[ . 1 . 2]" 1
612 1 63 ASP HB3 1 64 CYS H 3.200 . 5.000 2.507 2.219 2.926 . 0 0 "[ . 1 . 2]" 1
613 1 66 ARG HB3 1 67 TYR H 3.200 . 5.000 3.250 1.855 4.467 . 0 0 "[ . 1 . 2]" 1
614 1 66 ARG HB3 1 68 HIS H 4.200 2.400 6.000 4.106 2.482 5.997 . 0 0 "[ . 1 . 2]" 1
615 1 5 ASP QB 1 6 CYS H 3.400 . 6.000 3.131 2.803 3.432 . 0 0 "[ . 1 . 2]" 1
616 1 8 SER QB 1 11 ASN H 3.400 . 6.000 2.766 2.285 3.969 . 0 0 "[ . 1 . 2]" 1
617 1 17 ALA MB 1 18 THR H 2.600 . 3.400 2.440 2.224 2.712 . 0 0 "[ . 1 . 2]" 1
618 1 21 LEU QB 1 22 ARG H 3.200 . 5.000 3.214 1.969 3.627 . 0 0 "[ . 1 . 2]" 1
619 1 23 PRO QB 1 24 GLY H 3.400 . 6.000 2.012 1.856 2.504 . 0 0 "[ . 1 . 2]" 1
620 1 21 LEU QB 1 25 ALA H 3.400 . 6.000 3.686 3.033 4.186 . 0 0 "[ . 1 . 2]" 1
621 1 23 PRO QB 1 25 ALA H 4.500 2.500 7.000 3.153 2.543 4.644 . 0 0 "[ . 1 . 2]" 1
622 1 25 ALA MB 1 26 GLN H 3.400 . 6.000 2.762 2.261 3.113 . 0 0 "[ . 1 . 2]" 1
623 1 26 GLN QB 1 27 CYS H 3.400 . 6.000 3.055 2.425 3.612 . 0 0 "[ . 1 . 2]" 1
624 1 41 ALA MB 1 42 GLY H 3.400 . 6.000 2.496 2.422 2.613 . 0 0 "[ . 1 . 2]" 1
625 1 45 CYS QB 1 46 ARG H 4.500 2.500 7.000 3.663 3.394 3.965 . 0 0 "[ . 1 . 2]" 1
626 1 48 PRO QB 1 49 ARG H 3.400 . 6.000 2.996 1.882 3.786 . 0 0 "[ . 1 . 2]" 1
627 1 48 PRO QB 1 50 GLY H 4.500 2.500 7.000 4.498 2.203 6.083 0.297 12 0 "[ . 1 . 2]" 1
628 1 49 ARG QB 1 50 GLY H 3.400 . 6.000 3.143 1.858 3.978 . 0 0 "[ . 1 . 2]" 1
629 1 51 ASP QB 1 52 MET H 4.500 2.500 7.000 3.827 3.426 4.052 . 0 0 "[ . 1 . 2]" 1
630 1 62 ALA MB 1 63 ASP H 3.400 . 6.000 2.519 2.313 2.639 . 0 0 "[ . 1 . 2]" 1
631 1 65 PRO QB 1 66 ARG H 3.400 . 6.000 2.285 1.795 3.598 0.005 14 0 "[ . 1 . 2]" 1
632 1 18 THR HB 1 20 LYS H 3.200 . 5.000 4.076 3.461 4.586 . 0 0 "[ . 1 . 2]" 1
633 1 44 ILE HB 1 45 CYS H 3.200 . 5.000 4.500 4.245 4.661 . 0 0 "[ . 1 . 2]" 1
634 1 44 ILE HB 1 46 ARG H 4.200 2.400 6.000 5.106 4.797 5.482 . 0 0 "[ . 1 . 2]" 1
635 1 58 THR HB 1 60 GLN H 3.200 . 5.000 3.792 2.955 4.310 . 0 0 "[ . 1 . 2]" 1
636 1 58 THR HB 1 61 SER H 4.200 2.400 6.000 4.528 2.829 4.928 . 0 0 "[ . 1 . 2]" 1
637 1 50 GLY QA 1 52 MET H 4.500 2.500 7.000 3.938 2.981 5.164 . 0 0 "[ . 1 . 2]" 1
638 1 58 THR HA 1 61 SER H 3.200 . 5.000 5.077 5.011 5.153 0.153 17 0 "[ . 1 . 2]" 1
639 1 7 SER H 1 8 SER HA 4.200 2.400 6.000 4.995 4.568 5.387 . 0 0 "[ . 1 . 2]" 1
640 1 6 CYS HA 1 8 SER H 3.200 . 5.000 3.950 3.527 4.718 . 0 0 "[ . 1 . 2]" 1
641 1 8 SER HA 1 10 GLU H 4.200 2.400 6.000 3.912 3.442 4.329 . 0 0 "[ . 1 . 2]" 1
642 1 9 PRO HA 1 11 ASN H 3.200 . 5.000 3.903 3.645 4.365 . 0 0 "[ . 1 . 2]" 1
643 1 12 PRO HA 1 14 CYS H 3.200 . 5.000 3.788 3.322 4.311 . 0 0 "[ . 1 . 2]" 1
644 1 15 ASP H 1 19 CYS HA 4.200 2.400 6.000 5.055 4.181 5.597 . 0 0 "[ . 1 . 2]" 1
645 1 15 ASP HA 1 17 ALA H 3.200 . 5.000 3.867 3.635 4.159 . 0 0 "[ . 1 . 2]" 1
646 1 16 ALA HA 1 19 CYS H 3.200 . 5.000 3.116 2.843 3.496 . 0 0 "[ . 1 . 2]" 1
647 1 23 PRO HA 1 25 ALA H 3.200 . 5.000 4.360 4.180 5.015 0.015 15 0 "[ . 1 . 2]" 1
648 1 28 GLY H 1 29 GLU HA 4.200 2.400 6.000 4.916 4.713 5.155 . 0 0 "[ . 1 . 2]" 1
649 1 27 CYS HA 1 29 GLU H 3.200 . 5.000 3.869 3.596 4.243 . 0 0 "[ . 1 . 2]" 1
650 1 32 CYS H 1 33 CYS HA 4.200 2.400 6.000 4.870 4.654 4.995 . 0 0 "[ . 1 . 2]" 1
651 1 30 GLY HA2 1 33 CYS H 4.200 2.400 6.000 5.120 4.481 5.944 . 0 0 "[ . 1 . 2]" 1
652 1 30 GLY HA3 1 33 CYS H 3.200 . 5.000 3.903 3.200 4.671 . 0 0 "[ . 1 . 2]" 1
653 1 34 GLU H 1 35 GLN HA 4.200 2.400 6.000 6.007 5.726 6.104 0.104 12 0 "[ . 1 . 2]" 1
654 1 34 GLU H 1 38 PHE HA 4.200 2.400 6.000 4.168 3.720 4.557 . 0 0 "[ . 1 . 2]" 1
655 1 34 GLU HA 1 36 CYS H 3.200 . 5.000 3.722 3.288 4.498 . 0 0 "[ . 1 . 2]" 1
656 1 33 CYS HA 1 37 LYS H 4.200 2.400 6.000 3.696 2.655 4.249 . 0 0 "[ . 1 . 2]" 1
657 1 35 GLN HA 1 37 LYS H 4.200 2.400 6.000 4.497 4.204 5.050 . 0 0 "[ . 1 . 2]" 1
658 1 37 LYS HA 1 39 SER H 4.200 2.400 6.000 5.781 5.426 6.011 0.011 1 0 "[ . 1 . 2]" 1
659 1 41 ALA HA 1 43 LYS H 3.200 . 5.000 3.097 2.945 3.204 . 0 0 "[ . 1 . 2]" 1
660 1 41 ALA MB 1 43 LYS H 4.500 2.500 7.000 4.124 4.011 4.243 . 0 0 "[ . 1 . 2]" 1
661 1 44 ILE HA 1 46 ARG H 3.200 . 5.000 3.401 3.163 3.570 . 0 0 "[ . 1 . 2]" 1
662 1 55 ASP H 1 56 ARG HA 4.200 2.400 6.000 5.104 4.534 5.507 . 0 0 "[ . 1 . 2]" 1
663 1 58 THR HA 1 60 GLN H 3.200 . 5.000 4.334 4.133 4.801 . 0 0 "[ . 1 . 2]" 1
664 1 61 SER HA 1 63 ASP H 3.200 . 5.000 4.168 3.901 4.666 . 0 0 "[ . 1 . 2]" 1
665 1 3 GLU HA 1 4 CYS HA 4.200 2.400 6.000 4.488 4.340 4.542 . 0 0 "[ . 1 . 2]" 1
666 1 6 CYS HA 1 7 SER HA 4.200 2.400 6.000 4.447 4.400 4.614 . 0 0 "[ . 1 . 2]" 1
667 1 4 CYS HB3 1 7 SER HA 4.200 2.400 6.000 4.843 4.141 5.680 . 0 0 "[ . 1 . 2]" 1
668 1 4 CYS HB2 1 7 SER HA 4.200 2.400 6.000 5.939 5.533 6.061 0.061 19 0 "[ . 1 . 2]" 1
669 1 8 SER HA 1 9 PRO HA 3.200 . 5.000 4.443 4.408 4.501 . 0 0 "[ . 1 . 2]" 1
670 1 8 SER HA 1 9 PRO QB 3.400 . 6.000 4.561 4.534 4.615 . 0 0 "[ . 1 . 2]" 1
671 1 8 SER HA 1 10 GLU QB 4.500 2.500 7.000 5.303 4.880 6.267 . 0 0 "[ . 1 . 2]" 1
672 1 8 SER HB2 1 11 ASN HB3 3.200 . 5.000 3.526 2.449 4.935 . 0 0 "[ . 1 . 2]" 1
673 1 8 SER HB2 1 11 ASN HB2 3.200 . 5.000 2.499 1.922 4.412 . 0 0 "[ . 1 . 2]" 1
674 1 8 SER HB2 1 10 GLU QB 4.500 2.500 7.000 4.729 3.574 6.054 . 0 0 "[ . 1 . 2]" 1
675 1 13 CYS HA 1 14 CYS QB 3.400 . 6.000 5.045 4.820 5.357 . 0 0 "[ . 1 . 2]" 1
676 1 13 CYS HA 1 14 CYS HA 4.200 2.400 6.000 4.511 4.451 4.578 . 0 0 "[ . 1 . 2]" 1
677 1 14 CYS HA 1 15 ASP HA 4.200 2.400 6.000 4.420 4.376 4.458 . 0 0 "[ . 1 . 2]" 1
678 1 14 CYS HA 1 15 ASP HB3 3.200 . 5.000 5.000 4.826 5.087 0.087 9 0 "[ . 1 . 2]" 1
679 1 14 CYS HA 1 15 ASP HB2 4.200 2.400 6.000 4.364 4.198 4.556 . 0 0 "[ . 1 . 2]" 1
680 1 14 CYS QB 1 15 ASP HA 4.200 2.400 6.000 4.939 4.654 5.078 . 0 0 "[ . 1 . 2]" 1
681 1 15 ASP HB3 1 18 THR MG 3.400 . 6.000 2.605 1.748 3.511 0.052 7 0 "[ . 1 . 2]" 1
682 1 15 ASP HB2 1 18 THR MG 3.400 . 6.000 3.597 2.775 4.545 . 0 0 "[ . 1 . 2]" 1
683 1 14 CYS QB 1 16 ALA HA 4.500 2.500 7.000 5.187 4.551 5.597 . 0 0 "[ . 1 . 2]" 1
684 1 16 ALA HA 1 19 CYS HA 3.200 . 5.000 2.825 2.473 3.176 . 0 0 "[ . 1 . 2]" 1
685 1 20 LYS HA 1 21 LEU MD1 4.200 2.400 6.000 4.457 3.926 4.995 . 0 0 "[ . 1 . 2]" 1
686 1 22 ARG HD3 1 23 PRO HD2 4.200 2.400 6.000 5.344 4.316 6.040 0.040 20 0 "[ . 1 . 2]" 1
687 1 22 ARG HD2 1 23 PRO HD2 4.200 2.400 6.000 5.488 4.429 6.022 0.022 14 0 "[ . 1 . 2]" 1
688 1 21 LEU QB 1 23 PRO HD2 3.400 . 6.000 3.339 2.796 4.216 . 0 0 "[ . 1 . 2]" 1
689 1 24 GLY HA2 1 25 ALA MB 4.500 2.500 7.000 4.585 4.252 4.734 . 0 0 "[ . 1 . 2]" 1
690 1 25 ALA HA 1 26 GLN QG 4.200 2.400 6.000 5.264 3.808 5.578 . 0 0 "[ . 1 . 2]" 1
691 1 25 ALA HA 1 26 GLN HA 4.200 2.400 6.000 4.411 4.388 4.445 . 0 0 "[ . 1 . 2]" 1
692 1 27 CYS HA 1 28 GLY HA2 3.200 . 5.000 4.420 4.381 4.438 . 0 0 "[ . 1 . 2]" 1
693 1 26 GLN QG 1 27 CYS HB3 4.200 2.400 6.000 5.076 2.645 5.508 . 0 0 "[ . 1 . 2]" 1
694 1 26 GLN HB3 1 27 CYS HB3 4.200 2.400 6.000 3.779 3.276 4.958 . 0 0 "[ . 1 . 2]" 1
695 1 26 GLN HB2 1 27 CYS HB3 4.200 2.400 6.000 4.751 3.670 5.302 . 0 0 "[ . 1 . 2]" 1
696 1 28 GLY HA2 1 29 GLU HB3 4.200 2.400 6.000 4.951 4.661 5.945 . 0 0 "[ . 1 . 2]" 1
697 1 28 GLY HA2 1 29 GLU HB2 4.200 2.400 6.000 5.757 4.592 6.126 0.126 5 0 "[ . 1 . 2]" 1
698 1 28 GLY HA2 1 29 GLU QG 4.500 2.500 7.000 5.148 4.671 6.128 . 0 0 "[ . 1 . 2]" 1
699 1 29 GLU HA 1 33 CYS HB3 4.200 2.400 6.000 4.002 3.261 4.735 . 0 0 "[ . 1 . 2]" 1
700 1 29 GLU HA 1 33 CYS HB2 4.200 2.400 6.000 4.282 3.137 5.182 . 0 0 "[ . 1 . 2]" 1
701 1 30 GLY HA3 1 31 LEU HB2 4.200 2.400 6.000 6.051 5.909 6.203 0.203 1 0 "[ . 1 . 2]" 1
702 1 30 GLY HA3 1 31 LEU QD 4.500 2.500 7.500 3.759 3.230 4.302 . 0 0 "[ . 1 . 2]" 1
703 1 30 GLY HA2 1 33 CYS HB3 4.200 2.400 6.000 5.583 4.702 6.083 0.083 13 0 "[ . 1 . 2]" 1
704 1 31 LEU HA 1 32 CYS HA 4.200 2.400 6.000 4.605 4.462 4.702 . 0 0 "[ . 1 . 2]" 1
705 1 31 LEU QD 1 32 CYS HA 5.000 2.500 8.400 3.230 2.903 3.772 . 0 0 "[ . 1 . 2]" 1
706 1 33 CYS HA 1 34 GLU HB3 4.200 2.400 6.000 5.342 4.477 5.898 . 0 0 "[ . 1 . 2]" 1
707 1 33 CYS HA 1 34 GLU HB2 4.200 2.400 6.000 4.672 4.331 5.814 . 0 0 "[ . 1 . 2]" 1
708 1 33 CYS HA 1 34 GLU QG 4.500 2.500 7.000 4.905 3.578 6.001 . 0 0 "[ . 1 . 2]" 1
709 1 33 CYS HA 1 34 GLU HA 4.200 2.400 6.000 4.479 4.450 4.555 . 0 0 "[ . 1 . 2]" 1
710 1 37 LYS HA 1 38 PHE HA 4.200 2.400 6.000 4.406 4.372 4.438 . 0 0 "[ . 1 . 2]" 1
711 1 38 PHE HA 1 39 SER HA 3.200 . 5.000 4.478 4.437 4.559 . 0 0 "[ . 1 . 2]" 1
712 1 39 SER HB3 1 43 LYS QE 4.500 2.500 7.000 4.158 2.712 5.385 . 0 0 "[ . 1 . 2]" 1
713 1 39 SER HB2 1 43 LYS QD 3.400 . 6.000 4.994 4.447 5.390 . 0 0 "[ . 1 . 2]" 1
714 1 39 SER HB2 1 43 LYS HG3 3.200 . 5.000 4.542 3.033 5.025 0.025 16 0 "[ . 1 . 2]" 1
715 1 39 SER HB2 1 43 LYS HG2 4.200 2.400 6.000 3.593 2.892 4.964 . 0 0 "[ . 1 . 2]" 1
716 1 40 ARG HA 1 41 ALA HA 3.200 . 5.000 4.389 4.361 4.436 . 0 0 "[ . 1 . 2]" 1
717 1 38 PHE HB2 1 40 ARG HA 4.200 2.400 6.000 6.010 5.891 6.083 0.083 20 0 "[ . 1 . 2]" 1
718 1 40 ARG HA 1 41 ALA MB 3.400 . 6.000 4.082 4.006 4.152 . 0 0 "[ . 1 . 2]" 1
719 1 41 ALA MB 1 42 GLY HA2 4.500 2.500 7.000 4.119 4.015 4.196 . 0 0 "[ . 1 . 2]" 1
720 1 42 GLY HA2 1 44 ILE HA 4.200 2.400 6.000 5.770 5.604 6.091 0.091 3 0 "[ . 1 . 2]" 1
721 1 44 ILE HA 1 45 CYS HB2 4.200 2.400 6.000 5.799 5.731 5.857 . 0 0 "[ . 1 . 2]" 1
722 1 45 CYS HA 1 46 ARG HA 3.200 . 5.000 4.519 4.436 4.558 . 0 0 "[ . 1 . 2]" 1
723 1 44 ILE HA 1 45 CYS HA 3.200 . 5.000 4.502 4.456 4.668 . 0 0 "[ . 1 . 2]" 1
724 1 43 LYS HG3 1 45 CYS HA 4.200 2.400 6.000 4.190 3.531 5.778 . 0 0 "[ . 1 . 2]" 1
725 1 43 LYS HG2 1 45 CYS HA 4.200 2.400 6.000 5.422 4.888 6.036 0.036 3 0 "[ . 1 . 2]" 1
726 1 44 ILE MD 1 45 CYS HA 3.400 . 6.000 4.499 3.485 4.888 . 0 0 "[ . 1 . 2]" 1
727 1 46 ARG HA 1 47 ILE MG 3.400 . 6.000 4.230 3.809 5.153 . 0 0 "[ . 1 . 2]" 1
728 1 46 ARG HA 1 47 ILE MD 4.500 2.500 7.000 5.725 5.505 5.857 . 0 0 "[ . 1 . 2]" 1
729 1 47 ILE MG 1 48 PRO HA 3.400 . 6.000 4.068 3.830 4.223 . 0 0 "[ . 1 . 2]" 1
730 1 47 ILE MG 1 48 PRO HD3 3.400 . 6.000 4.217 3.391 4.519 . 0 0 "[ . 1 . 2]" 1
731 1 47 ILE MD 1 48 PRO HD3 4.500 2.500 7.000 3.964 2.620 5.509 . 0 0 "[ . 1 . 2]" 1
732 1 47 ILE MG 1 49 ARG HA 4.500 2.500 7.000 4.493 3.452 5.733 . 0 0 "[ . 1 . 2]" 1
733 1 47 ILE MD 1 49 ARG HA 4.500 2.500 7.000 4.743 2.994 5.764 . 0 0 "[ . 1 . 2]" 1
734 1 47 ILE MG 1 49 ARG QD 5.000 2.500 8.000 4.084 2.050 5.818 0.450 11 0 "[ . 1 . 2]" 1
735 1 47 ILE MD 1 49 ARG QD 5.000 2.500 8.000 4.852 3.314 5.813 . 0 0 "[ . 1 . 2]" 1
736 1 52 MET HA 1 53 PRO HD3 3.200 . 5.000 2.219 1.881 3.889 . 0 0 "[ . 1 . 2]" 1
737 1 52 MET HA 1 53 PRO HD2 3.200 . 5.000 2.791 2.265 4.027 . 0 0 "[ . 1 . 2]" 1
738 1 52 MET HA 1 53 PRO QG 3.400 . 6.000 4.099 3.804 5.343 . 0 0 "[ . 1 . 2]" 1
739 1 53 PRO HA 1 54 ASP HB3 4.200 2.400 6.000 5.793 5.677 5.970 . 0 0 "[ . 1 . 2]" 1
740 1 53 PRO HA 1 54 ASP HB2 3.200 . 5.000 4.898 4.636 5.044 0.044 12 0 "[ . 1 . 2]" 1
741 1 52 MET HG3 1 53 PRO HD3 4.200 2.400 6.000 3.993 2.533 5.215 . 0 0 "[ . 1 . 2]" 1
742 1 52 MET HG2 1 53 PRO HD3 4.200 2.400 6.000 3.601 2.505 4.973 . 0 0 "[ . 1 . 2]" 1
743 1 52 MET HB3 1 53 PRO HD3 3.400 . 6.000 3.259 1.898 4.043 . 0 0 "[ . 1 . 2]" 1
744 1 52 MET HB2 1 53 PRO HD3 3.400 . 6.000 4.036 1.807 4.787 . 0 0 "[ . 1 . 2]" 1
745 1 52 MET ME 1 53 PRO HD3 3.400 . 6.000 4.137 2.182 4.825 . 0 0 "[ . 1 . 2]" 1
746 1 52 MET HG3 1 53 PRO HD2 4.200 2.400 6.000 3.732 2.455 5.137 . 0 0 "[ . 1 . 2]" 1
747 1 52 MET HB3 1 53 PRO HD2 3.400 . 5.500 2.337 1.835 4.474 . 0 0 "[ . 1 . 2]" 1
748 1 52 MET HB2 1 53 PRO HD2 3.400 . 5.500 3.454 1.802 4.372 . 0 0 "[ . 1 . 2]" 1
749 1 52 MET ME 1 53 PRO HD2 3.400 . 5.500 3.678 2.422 4.416 . 0 0 "[ . 1 . 2]" 1
750 1 54 ASP HB3 1 56 ARG QG 4.500 2.500 7.000 4.242 3.025 6.276 . 0 0 "[ . 1 . 2]" 1
751 1 56 ARG HA 1 57 CYS HA 4.200 2.400 6.000 4.409 4.373 4.509 . 0 0 "[ . 1 . 2]" 1
752 1 56 ARG HA 1 57 CYS HB2 4.200 2.400 6.000 4.699 4.175 4.990 . 0 0 "[ . 1 . 2]" 1
753 1 54 ASP HB3 1 56 ARG HA 4.200 2.400 6.000 5.715 5.124 6.019 0.019 15 0 "[ . 1 . 2]" 1
754 1 54 ASP HB2 1 56 ARG HA 4.200 2.400 6.000 5.887 5.323 6.043 0.043 15 0 "[ . 1 . 2]" 1
755 1 57 CYS HA 1 58 THR MG 3.400 . 6.000 3.521 3.192 4.950 . 0 0 "[ . 1 . 2]" 1
756 1 58 THR HB 1 60 GLN QB 3.400 . 6.000 4.586 3.584 5.243 . 0 0 "[ . 1 . 2]" 1
757 1 58 THR HB 1 60 GLN QG 3.400 . 6.000 4.657 3.026 5.398 . 0 0 "[ . 1 . 2]" 1
758 1 59 GLY HA3 1 60 GLN QG 3.400 . 6.000 3.765 3.139 5.101 . 0 0 "[ . 1 . 2]" 1
759 1 63 ASP HA 1 64 CYS HB3 4.200 2.400 6.000 4.788 4.469 5.007 . 0 0 "[ . 1 . 2]" 1
760 1 63 ASP HA 1 64 CYS HB2 4.200 2.400 6.000 4.643 4.472 4.873 . 0 0 "[ . 1 . 2]" 1
761 1 64 CYS HA 1 65 PRO HA 4.200 2.400 6.000 4.439 4.389 4.493 . 0 0 "[ . 1 . 2]" 1
762 1 64 CYS HA 1 65 PRO HD3 2.600 . 3.400 1.985 1.872 2.083 . 0 0 "[ . 1 . 2]" 1
763 1 64 CYS HA 1 65 PRO HD2 2.600 . 3.400 2.107 2.031 2.252 . 0 0 "[ . 1 . 2]" 1
764 1 63 ASP HB3 1 64 CYS HA 4.200 2.400 6.000 4.926 4.613 5.196 . 0 0 "[ . 1 . 2]" 1
765 1 63 ASP HB2 1 64 CYS HA 4.200 2.400 6.000 4.728 4.385 5.543 . 0 0 "[ . 1 . 2]" 1
766 1 64 CYS HA 1 65 PRO HB2 4.200 2.400 6.000 5.345 5.334 5.357 . 0 0 "[ . 1 . 2]" 1
767 1 64 CYS HA 1 65 PRO HB3 3.200 . 5.000 4.917 4.827 5.040 0.040 12 0 "[ . 1 . 2]" 1
768 1 64 CYS HA 1 65 PRO HG3 3.200 . 5.000 4.164 4.107 4.238 . 0 0 "[ . 1 . 2]" 1
769 1 64 CYS HA 1 65 PRO HG2 3.200 . 5.000 4.241 4.206 4.308 . 0 0 "[ . 1 . 2]" 1
770 1 63 ASP HB3 1 65 PRO HA 4.200 2.400 6.000 5.766 4.954 6.015 0.015 8 0 "[ . 1 . 2]" 1
771 1 63 ASP HB2 1 65 PRO HA 4.200 2.400 6.000 5.087 4.798 5.741 . 0 0 "[ . 1 . 2]" 1
772 1 64 CYS HB3 1 65 PRO HD3 4.200 2.400 6.000 4.777 4.646 4.859 . 0 0 "[ . 1 . 2]" 1
773 1 64 CYS HB2 1 65 PRO HD3 4.200 2.400 6.000 4.372 4.163 4.498 . 0 0 "[ . 1 . 2]" 1
774 1 64 CYS HB3 1 65 PRO HD2 4.200 2.400 6.000 4.537 4.127 4.952 . 0 0 "[ . 1 . 2]" 1
775 1 64 CYS HB2 1 65 PRO HD2 4.200 2.400 6.000 4.025 3.645 4.358 . 0 0 "[ . 1 . 2]" 1
776 1 34 GLU H 1 38 PHE QD 5.000 2.500 8.400 5.634 5.202 6.146 . 0 0 "[ . 1 . 2]" 1
777 1 37 LYS HA 1 38 PHE QD 5.000 2.500 8.400 4.812 4.691 5.028 . 0 0 "[ . 1 . 2]" 1
778 1 66 ARG HA 1 67 TYR QD 5.000 2.500 8.400 4.897 3.312 6.097 . 0 0 "[ . 1 . 2]" 1
779 1 67 TYR H 1 67 TYR QD 4.500 2.500 7.500 3.509 1.843 4.417 0.657 2 1 "[ + . 1 . 2]" 1
780 1 67 TYR QD 1 68 HIS H 4.500 2.500 7.500 4.170 2.013 4.926 0.487 2 0 "[ . 1 . 2]" 1
781 1 8 SER H 1 11 ASN HD22 4.200 2.400 6.000 5.763 4.641 6.031 0.031 5 0 "[ . 1 . 2]" 1
782 1 8 SER HB2 1 11 ASN HD22 4.200 2.400 6.000 5.323 4.571 6.020 0.020 7 0 "[ . 1 . 2]" 1
783 1 8 SER HB2 1 11 ASN HD21 4.200 2.400 6.000 3.910 3.281 4.664 . 0 0 "[ . 1 . 2]" 1
784 1 8 SER H 1 11 ASN HD21 4.200 2.400 6.000 4.319 3.835 4.929 . 0 0 "[ . 1 . 2]" 1
785 1 11 ASN HD22 1 13 CYS HB2 4.200 2.400 6.000 3.023 2.389 4.623 0.011 14 0 "[ . 1 . 2]" 1
786 1 11 ASN HD22 1 13 CYS H 4.200 2.400 6.000 3.706 3.193 5.038 . 0 0 "[ . 1 . 2]" 1
787 1 11 ASN HD21 1 13 CYS HB2 4.200 2.400 6.000 4.337 2.437 5.692 . 0 0 "[ . 1 . 2]" 1
788 1 11 ASN HD21 1 13 CYS H 4.200 2.400 6.000 4.455 3.411 5.274 . 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 6
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 4 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 CYS SG 1 19 CYS SG 2.020 . 2.120 2.021 2.020 2.026 . 0 0 "[ . 1 . 2]" 2
2 1 6 CYS SG 1 14 CYS SG 2.020 . 2.120 2.020 2.018 2.023 . 0 0 "[ . 1 . 2]" 2
3 1 13 CYS SG 1 36 CYS SG 2.020 . 2.120 2.019 2.014 2.025 . 0 0 "[ . 1 . 2]" 2
4 1 27 CYS SG 1 33 CYS SG 2.020 . 2.120 2.018 2.016 2.022 . 0 0 "[ . 1 . 2]" 2
5 1 32 CYS SG 1 57 CYS SG 2.020 . 2.120 2.017 2.013 2.022 . 0 0 "[ . 1 . 2]" 2
6 1 45 CYS SG 1 64 CYS SG 2.020 . 2.120 2.022 2.019 2.028 . 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 9
_Distance_constraint_stats_list.Viol_count 61
_Distance_constraint_stats_list.Viol_total 116.425
_Distance_constraint_stats_list.Viol_max 0.252
_Distance_constraint_stats_list.Viol_rms 0.0641
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0323
_Distance_constraint_stats_list.Viol_average_violations_only 0.0954
_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 13 CYS 0.224 0.055 6 0 "[ . 1 . 2]"
1 15 ASP 1.420 0.113 12 0 "[ . 1 . 2]"
1 20 LYS 1.420 0.113 12 0 "[ . 1 . 2]"
1 22 ARG 0.224 0.055 6 0 "[ . 1 . 2]"
1 32 CYS 0.016 0.016 3 0 "[ . 1 . 2]"
1 34 GLU 0.068 0.035 12 0 "[ . 1 . 2]"
1 37 LYS 0.068 0.035 12 0 "[ . 1 . 2]"
1 39 SER 0.016 0.016 3 0 "[ . 1 . 2]"
1 43 LYS 3.933 0.252 3 0 "[ . 1 . 2]"
1 45 CYS 0.160 0.130 18 0 "[ . 1 . 2]"
1 55 ASP 0.160 0.130 18 0 "[ . 1 . 2]"
1 57 CYS 3.933 0.252 3 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 13 CYS O 1 22 ARG H 2.000 . 2.500 2.430 1.844 2.555 0.055 6 0 "[ . 1 . 2]" 3
2 1 15 ASP H 1 20 LYS O 2.000 . 2.500 1.708 1.449 2.025 0.051 3 0 "[ . 1 . 2]" 3
3 1 15 ASP O 1 20 LYS H 2.000 . 2.500 2.568 2.526 2.613 0.113 12 0 "[ . 1 . 2]" 3
4 1 34 GLU H 1 37 LYS O 2.000 . 2.500 2.071 1.688 2.413 . 0 0 "[ . 1 . 2]" 3
5 1 34 GLU O 1 37 LYS H 2.000 . 2.500 2.279 1.947 2.535 0.035 12 0 "[ . 1 . 2]" 3
6 1 32 CYS O 1 39 SER H 2.000 . 2.500 1.746 1.484 2.110 0.016 3 0 "[ . 1 . 2]" 3
7 1 45 CYS H 1 55 ASP O 2.000 . 2.500 1.914 1.516 2.630 0.130 18 0 "[ . 1 . 2]" 3
8 1 43 LYS O 1 57 CYS H 2.000 . 2.500 1.688 1.478 1.959 0.022 4 0 "[ . 1 . 2]" 3
9 1 43 LYS H 1 57 CYS O 2.000 . 2.500 2.695 2.595 2.752 0.252 3 0 "[ . 1 . 2]" 3
stop_
save_
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