NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
551936 |
2ljv   |
17963 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ljv
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 904
_Distance_constraint_stats_list.Viol_count 785
_Distance_constraint_stats_list.Viol_total 1021.533
_Distance_constraint_stats_list.Viol_max 0.502
_Distance_constraint_stats_list.Viol_rms 0.0242
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0651
_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 1.064 0.162 17 0 "[ . 1 . 2]"
1 4 CYS 3.408 0.238 10 0 "[ . 1 . 2]"
1 5 ASP 0.403 0.109 12 0 "[ . 1 . 2]"
1 6 CYS 0.519 0.083 7 0 "[ . 1 . 2]"
1 7 SER 0.573 0.070 12 0 "[ . 1 . 2]"
1 8 SER 0.200 0.037 16 0 "[ . 1 . 2]"
1 9 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLU 0.227 0.036 13 0 "[ . 1 . 2]"
1 11 ASN 0.428 0.037 16 0 "[ . 1 . 2]"
1 12 PRO 0.208 0.056 10 0 "[ . 1 . 2]"
1 13 CYS 1.438 0.160 15 0 "[ . 1 . 2]"
1 14 CYS 1.989 0.202 18 0 "[ . 1 . 2]"
1 15 ASP 0.252 0.079 3 0 "[ . 1 . 2]"
1 16 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 THR 3.145 0.446 11 0 "[ . 1 . 2]"
1 19 CYS 2.382 0.238 10 0 "[ . 1 . 2]"
1 20 LYS 3.539 0.446 11 0 "[ . 1 . 2]"
1 21 LEU 6.871 0.426 18 0 "[ . 1 . 2]"
1 22 ARG 0.879 0.129 12 0 "[ . 1 . 2]"
1 23 PRO 2.401 0.426 18 0 "[ . 1 . 2]"
1 24 GLY 0.332 0.109 15 0 "[ . 1 . 2]"
1 25 ALA 1.796 0.109 15 0 "[ . 1 . 2]"
1 26 GLN 0.962 0.337 17 0 "[ . 1 . 2]"
1 27 CYS 1.655 0.188 3 0 "[ . 1 . 2]"
1 28 GLY 1.686 0.278 12 0 "[ . 1 . 2]"
1 29 GLU 0.511 0.091 15 0 "[ . 1 . 2]"
1 30 GLY 0.153 0.036 10 0 "[ . 1 . 2]"
1 31 LEU 1.713 0.233 2 0 "[ . 1 . 2]"
1 32 CYS 0.387 0.071 8 0 "[ . 1 . 2]"
1 33 CYS 1.314 0.188 3 0 "[ . 1 . 2]"
1 34 GLU 0.483 0.088 19 0 "[ . 1 . 2]"
1 35 GLN 0.436 0.088 19 0 "[ . 1 . 2]"
1 36 CYS 0.919 0.098 13 0 "[ . 1 . 2]"
1 37 LYS 0.707 0.052 13 0 "[ . 1 . 2]"
1 38 PHE 0.880 0.337 17 0 "[ . 1 . 2]"
1 39 SER 1.068 0.081 8 0 "[ . 1 . 2]"
1 40 ARG 0.949 0.081 2 0 "[ . 1 . 2]"
1 41 ALA 0.690 0.215 9 0 "[ . 1 . 2]"
1 42 GLY 5.297 0.461 1 0 "[ . 1 . 2]"
1 43 LYS 3.293 0.335 15 0 "[ . 1 . 2]"
1 44 ILE 3.778 0.335 15 0 "[ . 1 . 2]"
1 45 CYS 2.099 0.300 5 0 "[ . 1 . 2]"
1 46 ARG 0.765 0.077 5 0 "[ . 1 . 2]"
1 47 ILE 1.929 0.495 10 0 "[ . 1 . 2]"
1 48 PRO 2.168 0.495 10 0 "[ . 1 . 2]"
1 49 ARG 1.064 0.462 6 0 "[ . 1 . 2]"
1 50 LEU 6.475 0.502 2 1 "[ + . 1 . 2]"
1 51 ASP 3.313 0.455 16 0 "[ . 1 . 2]"
1 52 MET 2.864 0.502 2 1 "[ + . 1 . 2]"
1 53 PRO 0.995 0.156 1 0 "[ . 1 . 2]"
1 54 ASP 1.064 0.156 1 0 "[ . 1 . 2]"
1 55 ASP 0.392 0.153 8 0 "[ . 1 . 2]"
1 56 ARG 6.013 0.461 1 0 "[ . 1 . 2]"
1 57 CYS 2.162 0.215 9 0 "[ . 1 . 2]"
1 58 THR 1.137 0.181 2 0 "[ . 1 . 2]"
1 59 GLY 0.101 0.047 9 0 "[ . 1 . 2]"
1 60 GLN 0.728 0.360 11 0 "[ . 1 . 2]"
1 61 SER 1.452 0.360 11 0 "[ . 1 . 2]"
1 62 ALA 0.278 0.036 10 0 "[ . 1 . 2]"
1 63 ASP 0.290 0.037 11 0 "[ . 1 . 2]"
1 64 CYS 1.962 0.233 2 0 "[ . 1 . 2]"
1 65 PRO 1.260 0.310 16 0 "[ . 1 . 2]"
1 66 ARG 2.861 0.450 16 0 "[ . 1 . 2]"
1 67 TYR 1.722 0.450 16 0 "[ . 1 . 2]"
1 68 HIS 0.122 0.079 11 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 3.699 2.445 4.582 . 0 0 "[ . 1 . 2]" 1
2 1 3 GLU H 1 4 CYS H 3.500 . 5.000 2.285 1.950 3.266 0.050 20 0 "[ . 1 . 2]" 1
3 1 4 CYS H 1 5 ASP H 3.500 . 5.000 4.286 3.989 4.483 . 0 0 "[ . 1 . 2]" 1
4 1 5 ASP H 1 6 CYS H 3.500 . 5.000 2.314 2.000 2.646 0.000 7 0 "[ . 1 . 2]" 1
5 1 6 CYS H 1 7 SER H 4.200 2.400 6.000 4.147 2.345 4.558 0.055 18 0 "[ . 1 . 2]" 1
6 1 7 SER H 1 8 SER H 3.500 . 5.000 2.387 1.979 3.073 0.021 13 0 "[ . 1 . 2]" 1
7 1 10 GLU H 1 11 ASN H 2.600 . 3.400 2.620 1.865 3.289 . 0 0 "[ . 1 . 2]" 1
8 1 13 CYS H 1 14 CYS H 2.600 . 3.400 2.781 2.259 3.123 . 0 0 "[ . 1 . 2]" 1
9 1 14 CYS H 1 15 ASP H 4.200 2.400 6.000 4.460 4.334 4.581 . 0 0 "[ . 1 . 2]" 1
10 1 15 ASP H 1 16 ALA H 4.200 2.400 6.000 4.561 4.347 4.668 . 0 0 "[ . 1 . 2]" 1
11 1 16 ALA H 1 17 ALA H 3.500 . 5.000 2.630 2.465 2.769 . 0 0 "[ . 1 . 2]" 1
12 1 17 ALA H 1 18 THR H 2.600 . 3.400 2.790 2.325 3.049 . 0 0 "[ . 1 . 2]" 1
13 1 18 THR H 1 19 CYS H 2.600 . 3.400 2.219 1.852 2.570 . 0 0 "[ . 1 . 2]" 1
14 1 19 CYS H 1 20 LYS H 3.500 . 5.000 2.861 2.358 3.082 . 0 0 "[ . 1 . 2]" 1
15 1 20 LYS H 1 21 LEU H 4.200 2.400 6.000 4.440 4.302 4.535 . 0 0 "[ . 1 . 2]" 1
16 1 21 LEU H 1 22 ARG H 4.200 2.400 6.000 4.489 4.400 4.593 . 0 0 "[ . 1 . 2]" 1
17 1 24 GLY H 1 25 ALA H 3.500 . 5.000 3.381 1.891 4.034 0.109 15 0 "[ . 1 . 2]" 1
18 1 25 ALA H 1 26 GLN H 3.500 . 5.000 4.400 3.802 4.604 . 0 0 "[ . 1 . 2]" 1
19 1 26 GLN H 1 27 CYS H 2.600 . 3.400 2.226 1.843 2.498 . 0 0 "[ . 1 . 2]" 1
20 1 27 CYS H 1 28 GLY H 4.200 2.400 6.000 4.345 4.256 4.423 . 0 0 "[ . 1 . 2]" 1
21 1 28 GLY H 1 29 GLU H 2.600 . 3.400 2.232 1.939 2.518 . 0 0 "[ . 1 . 2]" 1
22 1 29 GLU H 1 30 GLY H 4.200 2.400 6.000 4.426 4.360 4.478 . 0 0 "[ . 1 . 2]" 1
23 1 30 GLY H 1 31 LEU H 4.200 2.400 6.000 4.281 3.956 4.418 . 0 0 "[ . 1 . 2]" 1
24 1 31 LEU H 1 32 CYS H 3.500 . 5.000 2.559 2.186 2.742 . 0 0 "[ . 1 . 2]" 1
25 1 32 CYS H 1 33 CYS H 3.500 . 5.000 2.837 2.311 3.497 . 0 0 "[ . 1 . 2]" 1
26 1 33 CYS H 1 34 GLU H 4.200 2.400 6.000 4.058 3.690 4.360 . 0 0 "[ . 1 . 2]" 1
27 1 34 GLU H 1 35 GLN H 4.200 2.400 6.000 4.418 4.195 4.512 . 0 0 "[ . 1 . 2]" 1
28 1 35 GLN H 1 36 CYS H 3.500 . 5.000 2.635 2.546 2.779 . 0 0 "[ . 1 . 2]" 1
29 1 36 CYS H 1 37 LYS H 3.500 . 5.000 2.613 2.528 2.685 . 0 0 "[ . 1 . 2]" 1
30 1 37 LYS H 1 38 PHE H 4.200 2.400 6.000 4.486 4.411 4.557 . 0 0 "[ . 1 . 2]" 1
31 1 38 PHE H 1 39 SER H 4.200 2.400 6.000 4.633 4.543 4.681 . 0 0 "[ . 1 . 2]" 1
32 1 39 SER H 1 40 ARG H 4.200 2.400 6.000 3.960 3.386 4.643 . 0 0 "[ . 1 . 2]" 1
33 1 42 GLY H 1 43 LYS H 3.500 . 5.000 2.354 1.968 2.553 0.032 17 0 "[ . 1 . 2]" 1
34 1 43 LYS H 1 44 ILE H 4.200 2.400 6.000 4.485 4.435 4.580 . 0 0 "[ . 1 . 2]" 1
35 1 44 ILE H 1 45 CYS H 4.200 2.400 6.000 4.537 4.440 4.660 . 0 0 "[ . 1 . 2]" 1
36 1 45 CYS H 1 46 ARG H 3.500 . 5.000 1.985 1.923 2.069 0.077 5 0 "[ . 1 . 2]" 1
37 1 46 ARG H 1 47 ILE H 3.500 . 5.000 4.246 3.802 4.402 . 0 0 "[ . 1 . 2]" 1
38 1 50 LEU H 1 51 ASP H 4.200 2.400 6.000 3.366 2.290 4.661 0.110 18 0 "[ . 1 . 2]" 1
39 1 51 ASP H 1 52 MET H 4.200 2.400 6.000 2.680 2.378 4.251 0.022 4 0 "[ . 1 . 2]" 1
40 1 54 ASP H 1 55 ASP H 3.500 . 5.000 4.601 4.346 4.708 . 0 0 "[ . 1 . 2]" 1
41 1 56 ARG H 1 57 CYS H 4.200 2.400 6.000 4.501 4.291 4.583 . 0 0 "[ . 1 . 2]" 1
42 1 57 CYS H 1 58 THR H 4.200 2.400 6.000 4.634 4.599 4.683 . 0 0 "[ . 1 . 2]" 1
43 1 58 THR H 1 59 GLY H 3.500 . 5.000 2.554 2.363 2.692 . 0 0 "[ . 1 . 2]" 1
44 1 59 GLY H 1 60 GLN H 3.500 . 5.000 2.892 2.370 3.407 . 0 0 "[ . 1 . 2]" 1
45 1 60 GLN H 1 61 SER H 2.600 . 3.400 2.088 1.810 2.387 . 0 0 "[ . 1 . 2]" 1
46 1 61 SER H 1 62 ALA H 4.200 2.400 6.000 4.484 4.296 4.647 . 0 0 "[ . 1 . 2]" 1
47 1 62 ALA H 1 63 ASP H 3.500 . 5.000 2.610 2.324 2.909 . 0 0 "[ . 1 . 2]" 1
48 1 63 ASP H 1 64 CYS H 4.200 2.400 6.000 4.575 4.479 4.636 . 0 0 "[ . 1 . 2]" 1
49 1 66 ARG H 1 67 TYR H 3.500 . 5.000 4.231 1.993 4.590 0.007 19 0 "[ . 1 . 2]" 1
50 1 67 TYR H 1 68 HIS H 3.500 . 5.000 3.604 2.002 4.662 . 0 0 "[ . 1 . 2]" 1
51 1 3 GLU HA 1 4 CYS H 2.600 . 3.400 3.380 2.792 3.562 0.162 17 0 "[ . 1 . 2]" 1
52 1 4 CYS HA 1 5 ASP H 2.600 . 3.400 2.206 2.080 2.309 . 0 0 "[ . 1 . 2]" 1
53 1 6 CYS HA 1 7 SER H 3.500 . 5.000 2.597 2.202 3.605 . 0 0 "[ . 1 . 2]" 1
54 1 7 SER HA 1 8 SER H 3.500 . 5.000 3.069 2.761 3.338 . 0 0 "[ . 1 . 2]" 1
55 1 9 PRO HA 1 10 GLU H 3.500 . 5.000 3.347 3.230 3.542 . 0 0 "[ . 1 . 2]" 1
56 1 10 GLU HA 1 11 ASN H 3.500 . 5.000 2.981 2.538 3.543 . 0 0 "[ . 1 . 2]" 1
57 1 12 PRO HA 1 13 CYS H 3.500 . 5.000 3.536 3.212 3.594 . 0 0 "[ . 1 . 2]" 1
58 1 13 CYS HA 1 14 CYS H 3.500 . 5.000 3.561 3.443 3.605 . 0 0 "[ . 1 . 2]" 1
59 1 14 CYS HA 1 15 ASP H 2.600 . 3.400 2.184 2.139 2.274 . 0 0 "[ . 1 . 2]" 1
60 1 15 ASP HA 1 16 ALA H 2.600 . 3.400 2.221 2.191 2.274 . 0 0 "[ . 1 . 2]" 1
61 1 16 ALA HA 1 17 ALA H 3.500 . 5.000 3.526 3.309 3.580 . 0 0 "[ . 1 . 2]" 1
62 1 19 CYS HA 1 20 LYS H 3.500 . 5.000 2.991 2.618 3.244 . 0 0 "[ . 1 . 2]" 1
63 1 20 LYS HA 1 21 LEU H 2.600 . 3.400 2.464 2.260 2.897 . 0 0 "[ . 1 . 2]" 1
64 1 21 LEU HA 1 22 ARG H 2.600 . 3.400 2.203 2.141 2.371 . 0 0 "[ . 1 . 2]" 1
65 1 23 PRO HA 1 24 GLY H 2.600 . 3.400 2.547 2.466 2.711 . 0 0 "[ . 1 . 2]" 1
66 1 25 ALA HA 1 26 GLN H 2.600 . 3.400 2.656 2.327 3.284 . 0 0 "[ . 1 . 2]" 1
67 1 26 GLN HA 1 27 CYS H 3.500 . 5.000 3.573 3.527 3.587 . 0 0 "[ . 1 . 2]" 1
68 1 27 CYS HA 1 28 GLY H 2.600 . 3.400 2.286 2.207 2.497 . 0 0 "[ . 1 . 2]" 1
69 1 29 GLU HA 1 30 GLY H 2.600 . 3.400 2.358 2.240 2.633 . 0 0 "[ . 1 . 2]" 1
70 1 31 LEU HA 1 32 CYS H 3.500 . 5.000 3.399 3.139 3.562 . 0 0 "[ . 1 . 2]" 1
71 1 32 CYS HA 1 33 CYS H 3.500 . 5.000 2.735 2.452 2.882 . 0 0 "[ . 1 . 2]" 1
72 1 33 CYS HA 1 34 GLU H 2.600 . 3.400 2.227 2.177 2.298 . 0 0 "[ . 1 . 2]" 1
73 1 34 GLU HA 1 35 GLN H 2.600 . 3.400 2.242 2.184 2.349 . 0 0 "[ . 1 . 2]" 1
74 1 35 GLN HA 1 36 CYS H 3.500 . 5.000 2.933 2.768 3.088 . 0 0 "[ . 1 . 2]" 1
75 1 36 CYS HA 1 37 LYS H 3.500 . 5.000 3.126 2.904 3.278 . 0 0 "[ . 1 . 2]" 1
76 1 37 LYS HA 1 38 PHE H 2.600 . 3.400 2.453 2.385 2.584 . 0 0 "[ . 1 . 2]" 1
77 1 38 PHE HA 1 39 SER H 2.600 . 3.400 2.334 2.195 2.715 . 0 0 "[ . 1 . 2]" 1
78 1 39 SER HA 1 40 ARG H 2.600 . 3.400 3.147 2.239 3.481 0.081 2 0 "[ . 1 . 2]" 1
79 1 40 ARG HA 1 41 ALA H 2.600 . 3.400 2.437 2.305 2.553 . 0 0 "[ . 1 . 2]" 1
80 1 41 ALA HA 1 42 GLY H 2.600 . 3.400 2.302 2.188 2.631 . 0 0 "[ . 1 . 2]" 1
81 1 43 LYS HA 1 44 ILE H 3.500 . 5.000 2.194 2.171 2.220 . 0 0 "[ . 1 . 2]" 1
82 1 44 ILE HA 1 45 CYS H 2.600 . 3.400 2.186 2.164 2.257 . 0 0 "[ . 1 . 2]" 1
83 1 45 CYS HA 1 46 ARG H 3.500 . 5.000 3.461 3.333 3.568 . 0 0 "[ . 1 . 2]" 1
84 1 46 ARG HA 1 47 ILE H 3.500 . 5.000 2.246 2.125 2.529 . 0 0 "[ . 1 . 2]" 1
85 1 49 ARG HA 1 50 LEU H 3.500 . 5.000 2.791 2.215 3.542 . 0 0 "[ . 1 . 2]" 1
86 1 51 ASP HA 1 52 MET H 3.500 . 5.000 2.991 2.230 3.575 . 0 0 "[ . 1 . 2]" 1
87 1 53 PRO HA 1 54 ASP H 2.600 . 3.400 2.317 2.192 2.545 . 0 0 "[ . 1 . 2]" 1
88 1 54 ASP HA 1 55 ASP H 2.600 . 3.400 2.316 2.188 2.817 . 0 0 "[ . 1 . 2]" 1
89 1 55 ASP HA 1 56 ARG H 2.600 . 3.400 2.240 2.193 2.425 . 0 0 "[ . 1 . 2]" 1
90 1 56 ARG HA 1 57 CYS H 2.600 . 3.400 2.355 2.129 2.482 . 0 0 "[ . 1 . 2]" 1
91 1 57 CYS HA 1 58 THR H 2.600 . 3.400 2.306 2.200 2.400 . 0 0 "[ . 1 . 2]" 1
92 1 60 GLN HA 1 61 SER H 3.500 . 5.000 3.440 3.309 3.541 . 0 0 "[ . 1 . 2]" 1
93 1 61 SER HA 1 62 ALA H 3.500 . 5.000 2.234 2.191 2.340 . 0 0 "[ . 1 . 2]" 1
94 1 63 ASP HA 1 64 CYS H 2.600 . 3.400 2.551 2.385 2.759 . 0 0 "[ . 1 . 2]" 1
95 1 65 PRO HA 1 66 ARG H 3.500 . 5.000 2.889 2.364 3.528 . 0 0 "[ . 1 . 2]" 1
96 1 66 ARG HA 1 67 TYR H 2.600 . 3.400 2.501 2.195 3.480 0.080 13 0 "[ . 1 . 2]" 1
97 1 67 TYR HA 1 68 HIS H 3.500 . 5.000 2.736 2.192 3.586 . 0 0 "[ . 1 . 2]" 1
98 1 1 GLY QA 1 2 LYS H 3.400 . 6.000 2.427 2.155 2.773 . 0 0 "[ . 1 . 2]" 1
99 1 24 GLY HA3 1 25 ALA H 3.500 . 5.000 3.432 2.806 3.592 . 0 0 "[ . 1 . 2]" 1
100 1 24 GLY HA2 1 25 ALA H 3.500 . 5.000 2.767 2.388 3.593 . 0 0 "[ . 1 . 2]" 1
101 1 28 GLY HA3 1 29 GLU H 3.500 . 5.000 2.930 2.774 3.140 . 0 0 "[ . 1 . 2]" 1
102 1 28 GLY HA2 1 29 GLU H 3.500 . 5.000 3.519 3.422 3.575 . 0 0 "[ . 1 . 2]" 1
103 1 30 GLY HA3 1 31 LEU H 2.600 . 3.400 2.804 2.374 3.156 . 0 0 "[ . 1 . 2]" 1
104 1 30 GLY HA2 1 31 LEU H 2.600 . 3.400 2.459 2.222 2.934 . 0 0 "[ . 1 . 2]" 1
105 1 42 GLY HA3 1 43 LYS H 3.500 . 5.000 3.493 3.395 3.570 . 0 0 "[ . 1 . 2]" 1
106 1 42 GLY HA2 1 43 LYS H 3.500 . 5.000 2.984 2.772 3.180 . 0 0 "[ . 1 . 2]" 1
107 1 50 LEU HA 1 51 ASP H 3.500 . 5.000 3.061 2.286 3.487 . 0 0 "[ . 1 . 2]" 1
108 1 59 GLY HA3 1 60 GLN H 3.500 . 5.000 2.967 2.675 3.348 . 0 0 "[ . 1 . 2]" 1
109 1 59 GLY HA2 1 60 GLN H 4.200 2.400 6.000 3.493 3.199 3.589 . 0 0 "[ . 1 . 2]" 1
110 1 5 ASP H 1 20 LYS H 4.200 2.400 6.000 4.449 4.102 4.797 . 0 0 "[ . 1 . 2]" 1
111 1 5 ASP H 1 21 LEU H 4.200 2.400 6.000 4.289 3.732 4.653 . 0 0 "[ . 1 . 2]" 1
112 1 15 ASP H 1 22 ARG H 4.200 2.400 6.000 3.400 2.442 4.903 . 0 0 "[ . 1 . 2]" 1
113 1 15 ASP H 1 20 LYS H 4.200 2.400 6.000 3.140 2.401 3.762 . 0 0 "[ . 1 . 2]" 1
114 1 14 CYS H 1 22 ARG H 4.200 2.400 6.000 5.251 4.937 5.485 . 0 0 "[ . 1 . 2]" 1
115 1 26 GLN H 1 38 PHE H 4.200 2.400 6.000 5.104 4.455 5.578 . 0 0 "[ . 1 . 2]" 1
116 1 27 CYS H 1 36 CYS H 4.200 2.400 6.000 5.307 5.037 5.569 . 0 0 "[ . 1 . 2]" 1
117 1 27 CYS H 1 38 PHE H 4.200 2.400 6.000 4.744 4.056 5.348 . 0 0 "[ . 1 . 2]" 1
118 1 33 CYS H 1 39 SER H 4.200 2.400 6.000 4.579 4.195 5.403 . 0 0 "[ . 1 . 2]" 1
119 1 34 GLU H 1 39 SER H 4.200 2.400 6.000 3.847 3.040 4.942 . 0 0 "[ . 1 . 2]" 1
120 1 26 GLN H 1 37 LYS H 4.200 2.400 6.000 4.613 4.377 4.878 . 0 0 "[ . 1 . 2]" 1
121 1 42 GLY H 1 57 CYS H 4.200 2.400 6.000 3.937 3.646 4.459 . 0 0 "[ . 1 . 2]" 1
122 1 43 LYS H 1 57 CYS H 3.500 . 5.000 2.406 1.998 3.337 0.002 14 0 "[ . 1 . 2]" 1
123 1 45 CYS H 1 55 ASP H 4.200 2.400 6.000 4.387 3.757 4.808 . 0 0 "[ . 1 . 2]" 1
124 1 45 CYS H 1 57 CYS H 4.200 2.400 6.000 4.077 3.769 4.717 . 0 0 "[ . 1 . 2]" 1
125 1 46 ARG H 1 55 ASP H 4.200 2.400 6.000 3.390 2.944 3.796 . 0 0 "[ . 1 . 2]" 1
126 1 13 CYS H 1 28 GLY HA2 4.200 2.400 6.000 5.061 4.368 5.726 . 0 0 "[ . 1 . 2]" 1
127 1 13 CYS H 1 28 GLY HA3 4.200 2.400 6.000 5.303 4.793 5.965 . 0 0 "[ . 1 . 2]" 1
128 1 14 CYS H 1 21 LEU HA 4.200 2.400 6.000 4.059 3.715 4.407 . 0 0 "[ . 1 . 2]" 1
129 1 14 CYS HA 1 21 LEU H 4.200 2.400 6.000 3.512 2.987 4.324 . 0 0 "[ . 1 . 2]" 1
130 1 14 CYS HA 1 22 ARG H 2.600 . 3.400 3.368 3.170 3.529 0.129 12 0 "[ . 1 . 2]" 1
131 1 26 GLN H 1 37 LYS HA 3.500 . 5.000 2.948 2.358 3.480 . 0 0 "[ . 1 . 2]" 1
132 1 27 CYS H 1 37 LYS HA 3.500 . 5.000 3.017 2.240 3.700 . 0 0 "[ . 1 . 2]" 1
133 1 31 LEU H 1 64 CYS HA 4.200 2.400 6.000 5.727 5.502 5.935 . 0 0 "[ . 1 . 2]" 1
134 1 32 CYS H 1 63 ASP HA 3.500 . 5.000 3.115 2.044 4.015 . 0 0 "[ . 1 . 2]" 1
135 1 34 GLU H 1 39 SER HA 4.200 2.400 6.000 3.703 3.334 4.264 . 0 0 "[ . 1 . 2]" 1
136 1 25 ALA HA 1 37 LYS H 4.200 2.400 6.000 5.957 5.823 6.052 0.052 13 0 "[ . 1 . 2]" 1
137 1 26 GLN HA 1 38 PHE H 4.200 2.400 6.000 5.674 4.940 6.044 0.044 13 0 "[ . 1 . 2]" 1
138 1 33 CYS HA 1 38 PHE H 4.200 2.400 6.000 4.628 4.356 5.242 . 0 0 "[ . 1 . 2]" 1
139 1 33 CYS HA 1 39 SER H 3.500 . 5.000 3.208 2.603 3.882 . 0 0 "[ . 1 . 2]" 1
140 1 43 LYS H 1 56 ARG HA 4.200 2.400 6.000 4.276 4.049 4.674 . 0 0 "[ . 1 . 2]" 1
141 1 43 LYS H 1 57 CYS HA 3.500 . 5.000 4.387 4.060 4.927 . 0 0 "[ . 1 . 2]" 1
142 1 44 ILE H 1 56 ARG HA 4.200 2.400 6.000 4.021 3.891 4.216 . 0 0 "[ . 1 . 2]" 1
143 1 45 CYS H 1 56 ARG HA 3.500 . 5.000 2.574 2.210 3.232 . 0 0 "[ . 1 . 2]" 1
144 1 46 ARG H 1 56 ARG HA 4.200 2.400 6.000 4.267 3.923 4.859 . 0 0 "[ . 1 . 2]" 1
145 1 44 ILE HA 1 55 ASP H 4.200 2.400 6.000 4.947 4.192 5.341 . 0 0 "[ . 1 . 2]" 1
146 1 41 ALA HA 1 57 CYS H 4.200 2.400 6.000 5.357 4.498 5.992 . 0 0 "[ . 1 . 2]" 1
147 1 42 GLY HA3 1 57 CYS H 4.200 2.400 6.000 5.116 4.806 5.739 . 0 0 "[ . 1 . 2]" 1
148 1 42 GLY HA2 1 57 CYS H 4.200 2.400 6.000 3.890 3.471 4.504 . 0 0 "[ . 1 . 2]" 1
149 1 43 LYS HA 1 57 CYS H 4.200 2.400 6.000 3.890 3.734 4.355 . 0 0 "[ . 1 . 2]" 1
150 1 44 ILE HA 1 57 CYS H 3.500 . 5.000 3.800 2.621 3.967 . 0 0 "[ . 1 . 2]" 1
151 1 45 CYS HA 1 57 CYS H 4.200 2.400 6.000 5.487 5.142 5.690 . 0 0 "[ . 1 . 2]" 1
152 1 41 ALA HA 1 58 THR H 4.200 2.400 6.000 4.706 3.816 4.931 . 0 0 "[ . 1 . 2]" 1
153 1 41 ALA HA 1 59 GLY H 4.200 2.400 6.000 2.814 2.363 3.097 0.037 9 0 "[ . 1 . 2]" 1
154 1 30 GLY HA3 1 62 ALA H 4.200 2.400 6.000 5.814 5.280 6.036 0.036 10 0 "[ . 1 . 2]" 1
155 1 31 LEU HA 1 64 CYS H 4.200 2.400 6.000 5.479 5.076 6.105 0.105 2 0 "[ . 1 . 2]" 1
156 1 5 ASP H 1 19 CYS HB2 4.200 2.400 6.000 4.475 2.766 5.978 . 0 0 "[ . 1 . 2]" 1
157 1 5 ASP H 1 20 LYS HB2 3.500 . 5.000 4.236 3.306 4.735 . 0 0 "[ . 1 . 2]" 1
158 1 6 CYS H 1 19 CYS HB2 4.200 2.400 6.000 4.544 3.028 6.063 0.063 16 0 "[ . 1 . 2]" 1
159 1 15 ASP H 1 21 LEU HB2 4.200 2.400 6.000 5.683 5.274 6.079 0.079 3 0 "[ . 1 . 2]" 1
160 1 14 CYS HB2 1 19 CYS H 4.200 2.400 6.000 5.523 4.785 6.202 0.202 18 0 "[ . 1 . 2]" 1
161 1 14 CYS HB2 1 20 LYS H 4.200 2.400 6.000 3.919 2.612 5.802 . 0 0 "[ . 1 . 2]" 1
162 1 15 ASP HB2 1 20 LYS H 4.200 2.400 6.000 3.337 2.990 3.909 . 0 0 "[ . 1 . 2]" 1
163 1 14 CYS HB2 1 22 ARG H 4.200 2.400 6.000 5.658 5.382 6.054 0.054 7 0 "[ . 1 . 2]" 1
164 1 25 ALA H 1 36 CYS HB2 4.200 2.400 6.000 5.709 5.093 6.041 0.041 6 0 "[ . 1 . 2]" 1
165 1 26 GLN H 1 36 CYS HB2 4.200 2.400 6.000 3.885 3.559 4.304 . 0 0 "[ . 1 . 2]" 1
166 1 21 LEU HB2 1 27 CYS H 4.200 2.400 6.000 5.969 5.737 6.064 0.064 15 0 "[ . 1 . 2]" 1
167 1 27 CYS H 1 36 CYS HB2 3.500 . 5.000 4.833 4.279 5.030 0.030 8 0 "[ . 1 . 2]" 1
168 1 13 CYS HB2 1 28 GLY H 4.200 2.400 6.000 5.497 4.180 6.014 0.014 16 0 "[ . 1 . 2]" 1
169 1 21 LEU HB2 1 28 GLY H 4.200 2.400 6.000 5.884 5.325 6.060 0.060 19 0 "[ . 1 . 2]" 1
170 1 31 LEU H 1 45 CYS HB2 4.200 2.400 6.000 5.611 5.285 5.953 . 0 0 "[ . 1 . 2]" 1
171 1 31 LEU H 1 63 ASP HB2 4.200 2.400 6.000 4.713 3.269 5.149 . 0 0 "[ . 1 . 2]" 1
172 1 31 LEU H 1 64 CYS HB2 3.500 . 5.000 4.814 4.544 5.064 0.064 2 0 "[ . 1 . 2]" 1
173 1 26 GLN HB2 1 38 PHE H 3.500 . 5.000 3.109 2.547 3.571 . 0 0 "[ . 1 . 2]" 1
174 1 32 CYS HB2 1 39 SER H 4.200 2.400 6.000 3.790 2.872 5.057 . 0 0 "[ . 1 . 2]" 1
175 1 33 CYS HB2 1 39 SER H 4.200 2.400 6.000 5.351 4.066 6.062 0.062 5 0 "[ . 1 . 2]" 1
176 1 41 ALA H 1 57 CYS HB2 4.200 2.400 6.000 5.969 5.523 6.215 0.215 9 0 "[ . 1 . 2]" 1
177 1 42 GLY H 1 57 CYS HB2 4.200 2.400 6.000 3.821 3.079 4.879 . 0 0 "[ . 1 . 2]" 1
178 1 43 LYS H 1 57 CYS HB2 3.500 . 5.000 2.553 2.051 3.150 . 0 0 "[ . 1 . 2]" 1
179 1 45 CYS H 1 55 ASP HB2 4.200 2.400 6.000 3.795 2.966 4.401 . 0 0 "[ . 1 . 2]" 1
180 1 46 ARG H 1 54 ASP HB2 4.200 2.400 6.000 5.778 5.289 6.018 0.018 5 0 "[ . 1 . 2]" 1
181 1 46 ARG H 1 55 ASP HB2 4.200 2.400 6.000 2.671 2.348 3.390 0.052 8 0 "[ . 1 . 2]" 1
182 1 45 CYS HB2 1 57 CYS H 4.200 2.400 6.000 5.718 5.368 5.923 . 0 0 "[ . 1 . 2]" 1
183 1 38 PHE HB2 1 61 SER H 4.200 2.400 6.000 5.668 4.954 6.011 0.011 10 0 "[ . 1 . 2]" 1
184 1 27 CYS HB2 1 62 ALA H 4.200 2.400 6.000 5.284 4.462 5.975 . 0 0 "[ . 1 . 2]" 1
185 1 31 LEU HB2 1 64 CYS H 4.200 2.400 6.000 2.860 2.390 5.047 0.010 6 0 "[ . 1 . 2]" 1
186 1 5 ASP H 1 19 CYS HB3 4.200 2.400 6.000 4.716 3.824 5.738 . 0 0 "[ . 1 . 2]" 1
187 1 6 CYS H 1 19 CYS HB3 4.200 2.400 6.000 4.970 4.500 5.679 . 0 0 "[ . 1 . 2]" 1
188 1 7 SER H 1 29 GLU HB3 4.200 2.400 6.000 3.397 2.451 5.297 . 0 0 "[ . 1 . 2]" 1
189 1 15 ASP H 1 21 LEU HB3 4.200 2.400 6.000 5.310 4.897 5.667 . 0 0 "[ . 1 . 2]" 1
190 1 15 ASP HB3 1 20 LYS H 3.500 . 5.000 4.110 3.542 4.865 . 0 0 "[ . 1 . 2]" 1
191 1 14 CYS HB3 1 22 ARG H 4.200 2.400 6.000 5.666 5.020 6.033 0.033 18 0 "[ . 1 . 2]" 1
192 1 25 ALA H 1 36 CYS HB3 4.200 2.400 6.000 4.969 4.327 5.615 . 0 0 "[ . 1 . 2]" 1
193 1 26 GLN H 1 36 CYS HB3 4.200 2.400 6.000 3.267 2.660 4.041 . 0 0 "[ . 1 . 2]" 1
194 1 21 LEU HB3 1 27 CYS H 4.200 2.400 6.000 5.711 5.480 6.008 0.008 18 0 "[ . 1 . 2]" 1
195 1 27 CYS H 1 36 CYS HB3 3.500 . 5.000 3.927 3.191 4.431 . 0 0 "[ . 1 . 2]" 1
196 1 21 LEU HB3 1 28 GLY H 4.200 2.400 6.000 5.715 5.485 6.048 0.048 1 0 "[ . 1 . 2]" 1
197 1 31 LEU H 1 45 CYS HB3 4.200 2.400 6.000 5.824 5.520 6.014 0.014 1 0 "[ . 1 . 2]" 1
198 1 31 LEU H 1 63 ASP HB3 4.200 2.400 6.000 3.638 2.761 4.225 . 0 0 "[ . 1 . 2]" 1
199 1 31 LEU H 1 64 CYS HB3 4.200 2.400 6.000 5.120 4.473 5.662 . 0 0 "[ . 1 . 2]" 1
200 1 26 GLN HB3 1 37 LYS H 4.200 2.400 6.000 5.544 4.738 6.035 0.035 16 0 "[ . 1 . 2]" 1
201 1 43 LYS H 1 57 CYS HB3 3.500 . 5.000 4.076 2.907 4.427 . 0 0 "[ . 1 . 2]" 1
202 1 46 ARG H 1 54 ASP HB3 4.200 2.400 6.000 4.664 4.048 4.959 . 0 0 "[ . 1 . 2]" 1
203 1 46 ARG H 1 55 ASP HB3 4.200 2.400 6.000 3.448 2.441 3.916 . 0 0 "[ . 1 . 2]" 1
204 1 46 ARG H 1 64 CYS HB3 4.200 2.400 6.000 5.562 4.875 5.997 . 0 0 "[ . 1 . 2]" 1
205 1 45 CYS HB3 1 57 CYS H 4.200 2.400 6.000 4.229 3.821 4.492 . 0 0 "[ . 1 . 2]" 1
206 1 38 PHE HB3 1 61 SER H 4.200 2.400 6.000 4.420 3.793 4.706 . 0 0 "[ . 1 . 2]" 1
207 1 27 CYS HB3 1 62 ALA H 4.200 2.400 6.000 5.201 4.639 5.903 . 0 0 "[ . 1 . 2]" 1
208 1 31 LEU HB3 1 64 CYS H 3.500 . 5.000 4.026 2.474 4.737 . 0 0 "[ . 1 . 2]" 1
209 1 13 CYS H 1 25 ALA MB 4.100 2.300 7.000 5.627 5.133 5.916 . 0 0 "[ . 1 . 2]" 1
210 1 5 ASP QB 1 20 LYS H 4.100 2.300 7.000 5.197 4.670 6.140 . 0 0 "[ . 1 . 2]" 1
211 1 5 ASP QB 1 21 LEU H 3.400 . 6.000 2.924 2.499 3.831 . 0 0 "[ . 1 . 2]" 1
212 1 27 CYS H 1 62 ALA MB 4.100 2.300 7.000 4.728 4.300 5.017 . 0 0 "[ . 1 . 2]" 1
213 1 5 ASP QB 1 28 GLY H 4.100 2.300 7.000 3.529 2.656 4.421 . 0 0 "[ . 1 . 2]" 1
214 1 28 GLY H 1 62 ALA MB 3.400 . 6.000 4.913 4.559 5.060 . 0 0 "[ . 1 . 2]" 1
215 1 29 GLU H 1 62 ALA MB 3.400 . 6.000 4.628 4.312 4.943 . 0 0 "[ . 1 . 2]" 1
216 1 30 GLY H 1 62 ALA MB 4.100 2.300 7.000 5.043 4.488 5.489 . 0 0 "[ . 1 . 2]" 1
217 1 33 CYS H 1 62 ALA MB 3.400 . 6.000 4.684 4.348 4.921 . 0 0 "[ . 1 . 2]" 1
218 1 42 GLY H 1 56 ARG QB 4.100 2.300 7.000 3.618 3.122 4.238 . 0 0 "[ . 1 . 2]" 1
219 1 45 CYS H 1 56 ARG QB 3.400 . 6.000 4.612 3.937 5.219 . 0 0 "[ . 1 . 2]" 1
220 1 46 ARG QB 1 55 ASP H 4.100 2.300 7.000 3.421 2.700 4.303 . 0 0 "[ . 1 . 2]" 1
221 1 44 ILE HB 1 57 CYS H 4.200 2.400 6.000 5.972 4.972 6.057 0.057 19 0 "[ . 1 . 2]" 1
222 1 41 ALA MB 1 59 GLY H 3.400 . 6.000 4.107 3.537 4.531 . 0 0 "[ . 1 . 2]" 1
223 1 41 ALA MB 1 60 GLN H 4.100 2.300 7.000 4.403 3.934 4.884 . 0 0 "[ . 1 . 2]" 1
224 1 7 SER H 1 29 GLU HG2 4.200 2.400 6.000 4.608 3.380 5.983 . 0 0 "[ . 1 . 2]" 1
225 1 21 LEU HG 1 27 CYS H 4.200 2.400 6.000 5.758 5.241 6.042 0.042 15 0 "[ . 1 . 2]" 1
226 1 21 LEU HG 1 28 GLY H 4.200 2.400 6.000 3.862 3.468 4.507 . 0 0 "[ . 1 . 2]" 1
227 1 26 GLN HG2 1 38 PHE H 3.500 . 5.000 4.039 3.086 4.939 . 0 0 "[ . 1 . 2]" 1
228 1 26 GLN HG3 1 38 PHE H 3.500 . 5.000 4.506 2.224 5.040 0.040 20 0 "[ . 1 . 2]" 1
229 1 42 GLY H 1 56 ARG QG 4.100 2.300 7.000 5.421 4.373 6.073 . 0 0 "[ . 1 . 2]" 1
230 1 45 CYS H 1 56 ARG QG 3.400 . 6.000 3.882 3.614 4.435 . 0 0 "[ . 1 . 2]" 1
231 1 31 LEU HG 1 64 CYS H 4.200 2.400 6.000 4.087 2.698 4.819 . 0 0 "[ . 1 . 2]" 1
232 1 5 ASP H 1 21 LEU MD2 4.100 2.300 7.000 5.809 5.696 5.965 . 0 0 "[ . 1 . 2]" 1
233 1 13 CYS H 1 21 LEU MD2 4.100 2.300 7.000 4.937 4.582 5.311 . 0 0 "[ . 1 . 2]" 1
234 1 14 CYS H 1 21 LEU MD2 4.100 2.300 7.000 3.826 3.249 4.489 . 0 0 "[ . 1 . 2]" 1
235 1 15 ASP H 1 21 LEU MD2 4.100 2.300 7.000 5.448 5.018 5.698 . 0 0 "[ . 1 . 2]" 1
236 1 21 LEU MD2 1 27 CYS H 3.400 . 6.000 2.853 2.447 3.146 . 0 0 "[ . 1 . 2]" 1
237 1 21 LEU MD2 1 28 GLY H 3.400 . 6.000 2.529 2.116 3.174 . 0 0 "[ . 1 . 2]" 1
238 1 21 LEU MD2 1 29 GLU H 4.100 2.300 7.000 4.279 4.042 4.778 . 0 0 "[ . 1 . 2]" 1
239 1 44 ILE H 1 56 ARG QD 4.100 2.300 7.000 4.061 3.009 4.896 . 0 0 "[ . 1 . 2]" 1
240 1 5 ASP H 1 21 LEU MD1 4.100 2.300 7.000 4.198 3.287 4.900 . 0 0 "[ . 1 . 2]" 1
241 1 21 LEU MD1 1 27 CYS H 3.400 . 6.000 3.881 3.586 4.641 . 0 0 "[ . 1 . 2]" 1
242 1 21 LEU MD1 1 28 GLY H 4.100 2.300 7.000 3.046 2.022 3.408 0.278 12 0 "[ . 1 . 2]" 1
243 1 21 LEU MD1 1 29 GLU H 4.100 2.300 7.000 4.898 3.655 5.484 . 0 0 "[ . 1 . 2]" 1
244 1 58 THR H 1 65 PRO HD3 4.200 2.400 6.000 5.093 4.535 5.485 . 0 0 "[ . 1 . 2]" 1
245 1 42 GLY H 1 56 ARG QD 4.100 2.300 7.000 4.969 4.306 6.084 . 0 0 "[ . 1 . 2]" 1
246 1 31 LEU QD 1 46 ARG H 4.100 2.300 8.000 4.742 4.031 5.740 . 0 0 "[ . 1 . 2]" 1
247 1 44 ILE MD 1 54 ASP H 4.100 2.300 7.000 4.433 3.865 5.682 . 0 0 "[ . 1 . 2]" 1
248 1 48 PRO QD 1 54 ASP H 4.100 2.300 7.000 4.401 3.837 5.378 . 0 0 "[ . 1 . 2]" 1
249 1 48 PRO QD 1 55 ASP H 4.100 2.300 7.000 3.055 2.147 3.803 0.153 8 0 "[ . 1 . 2]" 1
250 1 44 ILE MD 1 55 ASP H 4.100 2.300 7.000 3.713 2.839 4.189 . 0 0 "[ . 1 . 2]" 1
251 1 44 ILE MD 1 57 CYS H 4.100 2.300 7.000 5.033 4.536 5.900 . 0 0 "[ . 1 . 2]" 1
252 1 31 LEU QD 1 64 CYS H 2.300 . 7.400 2.899 1.710 3.865 0.090 2 0 "[ . 1 . 2]" 1
253 1 3 GLU HA 1 20 LYS HB2 3.500 . 5.000 4.735 3.959 5.029 0.029 20 0 "[ . 1 . 2]" 1
254 1 3 GLU HA 1 20 LYS QG 2.600 . 3.400 2.908 2.586 3.199 . 0 0 "[ . 1 . 2]" 1
255 1 3 GLU HA 1 20 LYS QD 3.400 . 6.000 4.649 3.939 5.050 . 0 0 "[ . 1 . 2]" 1
256 1 4 CYS HA 1 19 CYS HA 4.200 2.400 6.000 4.170 3.988 4.326 . 0 0 "[ . 1 . 2]" 1
257 1 4 CYS HA 1 19 CYS HB3 4.200 2.400 6.000 3.168 2.264 3.989 0.136 20 0 "[ . 1 . 2]" 1
258 1 4 CYS HA 1 19 CYS HB2 4.200 2.400 6.000 3.146 2.377 4.103 0.023 19 0 "[ . 1 . 2]" 1
259 1 4 CYS HA 1 20 LYS HB3 4.200 2.400 6.000 4.813 2.399 6.047 0.047 10 0 "[ . 1 . 2]" 1
260 1 4 CYS HA 1 20 LYS HB2 3.500 . 5.000 4.215 3.449 5.059 0.059 6 0 "[ . 1 . 2]" 1
261 1 4 CYS HA 1 20 LYS QG 2.300 . 5.200 3.184 1.992 4.020 . 0 0 "[ . 1 . 2]" 1
262 1 5 ASP QB 1 20 LYS HB2 2.300 . 5.200 4.399 2.515 4.819 . 0 0 "[ . 1 . 2]" 1
263 1 5 ASP QB 1 20 LYS HB3 4.100 2.300 7.000 4.104 2.881 4.715 . 0 0 "[ . 1 . 2]" 1
264 1 5 ASP QB 1 21 LEU HG 2.300 . 5.200 3.103 2.342 4.292 . 0 0 "[ . 1 . 2]" 1
265 1 5 ASP QB 1 21 LEU MD1 2.300 . 7.000 2.066 1.691 2.706 0.109 12 0 "[ . 1 . 2]" 1
266 1 5 ASP QB 1 21 LEU MD2 2.300 . 7.000 3.616 3.217 4.118 . 0 0 "[ . 1 . 2]" 1
267 1 6 CYS HA 1 28 GLY HA2 4.200 2.400 6.000 5.697 4.608 6.083 0.083 7 0 "[ . 1 . 2]" 1
268 1 6 CYS HA 1 14 CYS QB 4.100 2.300 7.000 4.385 4.077 4.920 . 0 0 "[ . 1 . 2]" 1
269 1 6 CYS HA 1 29 GLU HB2 3.500 . 5.000 3.156 2.023 4.035 . 0 0 "[ . 1 . 2]" 1
270 1 6 CYS HA 1 29 GLU HB3 3.500 . 5.000 3.003 2.016 4.816 . 0 0 "[ . 1 . 2]" 1
271 1 6 CYS HA 1 29 GLU QG 3.400 . 6.000 4.302 2.187 5.371 . 0 0 "[ . 1 . 2]" 1
272 1 6 CYS HB3 1 29 GLU HB2 4.200 2.400 6.000 4.176 3.277 5.321 . 0 0 "[ . 1 . 2]" 1
273 1 6 CYS HB2 1 29 GLU HB2 4.200 2.400 6.000 3.244 2.396 4.477 0.004 12 0 "[ . 1 . 2]" 1
274 1 6 CYS HB2 1 29 GLU HB3 4.200 2.400 6.000 3.965 2.508 5.330 . 0 0 "[ . 1 . 2]" 1
275 1 9 PRO HA 1 16 ALA HA 4.200 2.400 6.000 4.333 3.739 5.150 . 0 0 "[ . 1 . 2]" 1
276 1 9 PRO HA 1 16 ALA MB 3.400 . 6.000 3.034 1.817 3.948 . 0 0 "[ . 1 . 2]" 1
277 1 9 PRO QB 1 16 ALA HA 4.100 2.300 7.000 5.532 4.848 6.196 . 0 0 "[ . 1 . 2]" 1
278 1 9 PRO QB 1 16 ALA MB 3.400 . 6.000 3.817 2.983 4.400 . 0 0 "[ . 1 . 2]" 1
279 1 13 CYS HA 1 36 CYS HB3 4.200 2.400 6.000 4.682 3.244 5.455 . 0 0 "[ . 1 . 2]" 1
280 1 13 CYS HA 1 21 LEU HG 4.200 2.400 6.000 5.472 3.875 6.033 0.033 14 0 "[ . 1 . 2]" 1
281 1 13 CYS HA 1 21 LEU HB2 4.200 2.400 6.000 6.062 6.007 6.160 0.160 15 0 "[ . 1 . 2]" 1
282 1 13 CYS HA 1 21 LEU HB3 4.200 2.400 6.000 4.412 4.301 4.860 . 0 0 "[ . 1 . 2]" 1
283 1 13 CYS HA 1 21 LEU MD2 3.400 . 6.000 3.998 2.824 4.443 . 0 0 "[ . 1 . 2]" 1
284 1 13 CYS HB3 1 21 LEU MD1 4.100 2.300 7.000 4.672 3.748 4.965 . 0 0 "[ . 1 . 2]" 1
285 1 13 CYS HB3 1 21 LEU MD2 3.400 . 6.000 2.155 1.878 2.481 . 0 0 "[ . 1 . 2]" 1
286 1 13 CYS HB2 1 21 LEU MD2 3.400 . 6.000 3.236 2.657 3.720 . 0 0 "[ . 1 . 2]" 1
287 1 13 CYS HB2 1 25 ALA MB 3.400 . 6.000 4.219 3.708 4.718 . 0 0 "[ . 1 . 2]" 1
288 1 14 CYS HA 1 22 ARG HA 4.200 2.400 6.000 5.674 5.488 5.933 . 0 0 "[ . 1 . 2]" 1
289 1 14 CYS HA 1 21 LEU HA 2.600 . 3.400 1.792 1.663 1.919 0.137 15 0 "[ . 1 . 2]" 1
290 1 6 CYS HB3 1 14 CYS HA 4.200 2.400 6.000 4.688 4.009 5.911 . 0 0 "[ . 1 . 2]" 1
291 1 14 CYS HA 1 22 ARG QB 3.400 . 6.000 4.833 4.608 5.352 . 0 0 "[ . 1 . 2]" 1
292 1 14 CYS HA 1 21 LEU HG 3.500 . 5.000 2.779 1.963 3.187 0.037 12 0 "[ . 1 . 2]" 1
293 1 14 CYS HA 1 21 LEU HB2 3.500 . 5.000 4.468 4.196 4.639 . 0 0 "[ . 1 . 2]" 1
294 1 14 CYS HA 1 21 LEU HB3 3.500 . 5.000 3.844 3.626 4.106 . 0 0 "[ . 1 . 2]" 1
295 1 14 CYS HA 1 21 LEU MD1 4.100 2.300 7.000 4.159 2.867 4.682 . 0 0 "[ . 1 . 2]" 1
296 1 14 CYS HA 1 21 LEU MD2 3.400 . 6.000 3.731 3.361 3.976 . 0 0 "[ . 1 . 2]" 1
297 1 14 CYS QB 1 21 LEU MD2 4.100 2.300 8.000 3.230 2.214 4.293 0.086 3 0 "[ . 1 . 2]" 1
298 1 15 ASP HB2 1 20 LYS HB2 4.200 2.400 6.000 5.040 4.504 5.844 . 0 0 "[ . 1 . 2]" 1
299 1 15 ASP HB2 1 20 LYS HB3 4.200 2.400 6.000 5.076 4.449 6.052 0.052 9 0 "[ . 1 . 2]" 1
300 1 15 ASP HB2 1 20 LYS QG 4.100 2.300 7.000 5.740 3.534 6.313 . 0 0 "[ . 1 . 2]" 1
301 1 4 CYS HB3 1 19 CYS HA 4.200 2.400 6.000 5.264 4.630 5.894 . 0 0 "[ . 1 . 2]" 1
302 1 4 CYS HB3 1 19 CYS HB3 3.500 . 5.000 3.709 3.541 4.497 . 0 0 "[ . 1 . 2]" 1
303 1 4 CYS HB3 1 19 CYS HB2 3.500 . 5.000 3.505 2.150 5.238 0.238 10 0 "[ . 1 . 2]" 1
304 1 4 CYS HB2 1 19 CYS HB2 3.500 . 5.000 3.776 3.171 5.192 0.192 10 0 "[ . 1 . 2]" 1
305 1 4 CYS HB2 1 19 CYS HB3 3.500 . 5.000 3.881 1.932 5.044 0.068 15 0 "[ . 1 . 2]" 1
306 1 5 ASP QB 1 20 LYS HA 2.300 . 5.200 2.623 2.145 3.636 . 0 0 "[ . 1 . 2]" 1
307 1 15 ASP HB3 1 21 LEU HA 4.100 2.300 7.000 6.217 5.343 6.667 . 0 0 "[ . 1 . 2]" 1
308 1 14 CYS QB 1 21 LEU HA 4.100 2.300 7.000 3.430 2.991 3.910 . 0 0 "[ . 1 . 2]" 1
309 1 25 ALA HA 1 36 CYS HB3 3.500 . 5.000 3.637 2.811 4.521 . 0 0 "[ . 1 . 2]" 1
310 1 25 ALA HA 1 36 CYS HB2 3.500 . 5.000 3.707 3.229 4.632 . 0 0 "[ . 1 . 2]" 1
311 1 25 ALA MB 1 36 CYS HB2 3.400 . 6.000 2.508 1.795 2.973 0.005 12 0 "[ . 1 . 2]" 1
312 1 25 ALA MB 1 36 CYS HB3 3.400 . 3.400 1.803 1.702 2.195 0.098 13 0 "[ . 1 . 2]" 1
313 1 25 ALA HA 1 37 LYS QE 3.400 . 6.000 3.763 2.020 5.180 . 0 0 "[ . 1 . 2]" 1
314 1 21 LEU MD2 1 26 GLN HA 4.100 2.300 7.000 4.079 3.663 4.473 . 0 0 "[ . 1 . 2]" 1
315 1 21 LEU MD1 1 26 GLN HA 4.100 2.300 7.000 3.857 2.955 5.403 . 0 0 "[ . 1 . 2]" 1
316 1 27 CYS HA 1 33 CYS HB3 4.200 2.400 6.000 5.571 4.367 6.188 0.188 3 0 "[ . 1 . 2]" 1
317 1 27 CYS HA 1 62 ALA MB 3.400 . 6.000 4.192 3.834 4.535 . 0 0 "[ . 1 . 2]" 1
318 1 21 LEU QB 1 27 CYS HA 3.400 . 6.000 4.817 4.162 5.062 . 0 0 "[ . 1 . 2]" 1
319 1 21 LEU MD1 1 27 CYS HA 2.600 . 3.400 2.417 1.919 2.676 . 0 0 "[ . 1 . 2]" 1
320 1 21 LEU MD2 1 27 CYS HA 2.600 . 3.400 2.521 2.116 2.690 . 0 0 "[ . 1 . 2]" 1
321 1 27 CYS HB3 1 33 CYS HB2 3.500 . 5.000 4.244 3.082 5.026 0.026 12 0 "[ . 1 . 2]" 1
322 1 27 CYS HB3 1 62 ALA MB 2.600 . 3.400 2.412 2.022 2.701 . 0 0 "[ . 1 . 2]" 1
323 1 21 LEU MD1 1 27 CYS HB3 4.100 2.300 7.000 4.580 4.010 5.082 . 0 0 "[ . 1 . 2]" 1
324 1 21 LEU MD2 1 27 CYS HB3 4.100 2.300 7.000 4.419 4.100 4.688 . 0 0 "[ . 1 . 2]" 1
325 1 27 CYS HB2 1 62 ALA MB 2.600 . 3.400 2.396 1.932 2.729 . 0 0 "[ . 1 . 2]" 1
326 1 21 LEU MD1 1 27 CYS HB2 4.100 2.300 7.000 4.402 3.673 4.880 . 0 0 "[ . 1 . 2]" 1
327 1 21 LEU MD2 1 27 CYS HB2 4.100 2.300 7.000 4.343 4.014 4.552 . 0 0 "[ . 1 . 2]" 1
328 1 13 CYS HB2 1 28 GLY HA3 3.500 . 5.000 3.695 2.459 4.382 . 0 0 "[ . 1 . 2]" 1
329 1 21 LEU MD2 1 28 GLY HA3 3.400 . 6.000 2.672 2.243 3.280 . 0 0 "[ . 1 . 2]" 1
330 1 13 CYS HB3 1 28 GLY HA2 4.200 2.400 6.000 3.345 2.396 4.226 0.004 6 0 "[ . 1 . 2]" 1
331 1 5 ASP QB 1 28 GLY HA3 4.100 2.300 7.000 4.655 3.260 5.640 . 0 0 "[ . 1 . 2]" 1
332 1 13 CYS HB2 1 28 GLY HA2 3.500 . 5.000 3.103 2.016 4.091 . 0 0 "[ . 1 . 2]" 1
333 1 21 LEU HG 1 28 GLY HA2 4.200 2.400 6.000 4.622 3.787 5.468 . 0 0 "[ . 1 . 2]" 1
334 1 21 LEU MD1 1 28 GLY HA2 4.100 2.300 7.000 4.592 3.279 5.027 . 0 0 "[ . 1 . 2]" 1
335 1 21 LEU MD2 1 28 GLY HA2 3.400 . 6.000 2.612 2.113 3.075 . 0 0 "[ . 1 . 2]" 1
336 1 30 GLY HA3 1 62 ALA MB 3.400 . 6.000 2.759 2.064 3.120 . 0 0 "[ . 1 . 2]" 1
337 1 30 GLY HA2 1 62 ALA MB 3.400 . 6.000 4.097 3.418 4.484 . 0 0 "[ . 1 . 2]" 1
338 1 31 LEU HA 1 64 CYS HB2 4.200 2.400 6.000 5.398 5.139 6.026 0.026 2 0 "[ . 1 . 2]" 1
339 1 32 CYS HA 1 39 SER HB3 3.500 . 5.000 3.631 2.220 5.023 0.023 8 0 "[ . 1 . 2]" 1
340 1 32 CYS HA 1 39 SER HB2 3.500 . 5.000 3.077 1.944 3.860 0.056 9 0 "[ . 1 . 2]" 1
341 1 32 CYS HA 1 43 LYS QE 4.100 2.300 7.000 4.119 2.275 4.890 0.025 9 0 "[ . 1 . 2]" 1
342 1 32 CYS HA 1 57 CYS HB2 4.200 2.400 6.000 5.168 4.378 5.726 . 0 0 "[ . 1 . 2]" 1
343 1 32 CYS HB2 1 62 ALA MB 3.400 . 6.000 4.328 3.810 4.891 . 0 0 "[ . 1 . 2]" 1
344 1 32 CYS HB2 1 43 LYS HG3 4.200 2.400 6.000 5.470 4.857 6.040 0.040 9 0 "[ . 1 . 2]" 1
345 1 33 CYS HA 1 38 PHE HA 3.500 . 5.000 2.509 2.002 3.071 . 0 0 "[ . 1 . 2]" 1
346 1 33 CYS HA 1 39 SER HA 4.200 2.400 6.000 4.616 3.951 5.106 . 0 0 "[ . 1 . 2]" 1
347 1 27 CYS HB2 1 33 CYS HA 4.200 2.400 6.000 5.260 4.651 6.159 0.159 3 0 "[ . 1 . 2]" 1
348 1 33 CYS HA 1 39 SER HB2 4.200 2.400 6.000 4.862 3.666 5.965 . 0 0 "[ . 1 . 2]" 1
349 1 13 CYS HB3 1 36 CYS HB3 4.200 2.400 6.000 3.116 2.365 5.114 0.035 15 0 "[ . 1 . 2]" 1
350 1 13 CYS HB2 1 36 CYS HB3 4.200 2.400 6.000 3.910 3.328 4.814 . 0 0 "[ . 1 . 2]" 1
351 1 21 LEU MD2 1 36 CYS HB3 4.100 2.300 7.000 2.812 2.337 3.380 . 0 0 "[ . 1 . 2]" 1
352 1 21 LEU MD2 1 36 CYS HB2 4.100 2.300 7.000 4.256 3.742 4.784 . 0 0 "[ . 1 . 2]" 1
353 1 26 GLN HA 1 37 LYS HA 4.200 2.400 6.000 4.576 4.082 4.903 . 0 0 "[ . 1 . 2]" 1
354 1 26 GLN HB3 1 37 LYS HA 3.500 . 5.000 2.926 2.006 3.625 . 0 0 "[ . 1 . 2]" 1
355 1 26 GLN HB2 1 37 LYS HA 3.500 . 5.000 2.012 1.948 2.231 0.052 20 0 "[ . 1 . 2]" 1
356 1 38 PHE HB2 1 60 GLN QG 4.100 2.300 7.000 5.471 4.608 6.201 . 0 0 "[ . 1 . 2]" 1
357 1 34 GLU QG 1 39 SER HA 3.400 . 6.000 4.258 1.895 5.417 . 0 0 "[ . 1 . 2]" 1
358 1 34 GLU HB3 1 39 SER HA 4.200 2.400 6.000 4.306 2.967 6.030 0.030 1 0 "[ . 1 . 2]" 1
359 1 34 GLU HB2 1 39 SER HA 3.500 . 5.000 3.932 2.350 4.764 . 0 0 "[ . 1 . 2]" 1
360 1 39 SER HB2 1 57 CYS HB2 3.500 . 5.000 4.469 3.340 5.081 0.081 8 0 "[ . 1 . 2]" 1
361 1 32 CYS HB2 1 39 SER HB2 3.500 . 5.000 4.298 3.201 5.071 0.071 8 0 "[ . 1 . 2]" 1
362 1 40 ARG HA 1 59 GLY HA3 3.500 . 5.000 3.910 3.121 4.729 . 0 0 "[ . 1 . 2]" 1
363 1 41 ALA HA 1 57 CYS HA 4.200 2.400 6.000 5.608 4.631 5.975 . 0 0 "[ . 1 . 2]" 1
364 1 41 ALA HA 1 57 CYS HB2 3.500 . 5.000 4.107 3.491 4.642 . 0 0 "[ . 1 . 2]" 1
365 1 42 GLY HA3 1 56 ARG HD3 3.500 . 5.000 4.621 2.745 5.063 0.063 8 0 "[ . 1 . 2]" 1
366 1 42 GLY HA3 1 56 ARG HD2 3.500 . 5.000 3.641 2.831 5.016 0.016 14 0 "[ . 1 . 2]" 1
367 1 42 GLY HA2 1 56 ARG QB 4.100 2.300 7.000 2.063 1.839 2.510 0.461 1 0 "[ . 1 . 2]" 1
368 1 42 GLY HA2 1 56 ARG HD3 3.500 . 5.000 4.098 2.268 4.632 . 0 0 "[ . 1 . 2]" 1
369 1 43 LYS HA 1 57 CYS HB2 4.200 2.400 6.000 4.538 4.337 4.652 . 0 0 "[ . 1 . 2]" 1
370 1 44 ILE HA 1 56 ARG QB 2.300 . 5.200 3.603 2.580 3.955 . 0 0 "[ . 1 . 2]" 1
371 1 44 ILE HA 1 56 ARG QG 2.300 . 5.200 2.432 1.979 3.094 . 0 0 "[ . 1 . 2]" 1
372 1 44 ILE HA 1 56 ARG HD3 3.500 . 5.000 4.268 2.749 4.989 . 0 0 "[ . 1 . 2]" 1
373 1 44 ILE HA 1 56 ARG HD2 3.500 2.400 5.000 4.357 3.605 4.771 . 0 0 "[ . 1 . 2]" 1
374 1 44 ILE HA 1 54 ASP HB3 4.200 2.400 6.000 4.598 3.991 5.081 . 0 0 "[ . 1 . 2]" 1
375 1 44 ILE HA 1 54 ASP HB2 4.200 2.400 6.000 4.845 4.359 5.149 . 0 0 "[ . 1 . 2]" 1
376 1 45 CYS HA 1 64 CYS HB3 3.500 . 5.000 5.020 4.808 5.145 0.145 2 0 "[ . 1 . 2]" 1
377 1 45 CYS HA 1 64 CYS HB2 3.500 . 5.000 4.202 4.092 4.340 . 0 0 "[ . 1 . 2]" 1
378 1 31 LEU HG 1 45 CYS HA 4.200 2.400 6.000 5.126 2.673 6.014 0.014 19 0 "[ . 1 . 2]" 1
379 1 31 LEU HB3 1 45 CYS HA 3.500 . 5.000 3.537 3.033 4.766 . 0 0 "[ . 1 . 2]" 1
380 1 31 LEU HB2 1 45 CYS HA 3.500 . 5.000 4.889 3.597 5.052 0.052 1 0 "[ . 1 . 2]" 1
381 1 31 LEU QD 1 45 CYS HA 2.300 . 7.400 3.079 1.834 3.848 . 0 0 "[ . 1 . 2]" 1
382 1 45 CYS HB3 1 64 CYS HB2 3.500 . 5.000 2.324 2.035 2.564 . 0 0 "[ . 1 . 2]" 1
383 1 31 LEU QD 1 45 CYS HB3 2.300 . 7.400 3.456 1.862 4.176 . 0 0 "[ . 1 . 2]" 1
384 1 31 LEU HA 1 45 CYS HB2 4.200 2.400 6.000 5.213 4.847 6.037 0.037 2 0 "[ . 1 . 2]" 1
385 1 31 LEU QD 1 46 ARG HA 4.100 2.300 8.400 4.281 3.613 5.230 . 0 0 "[ . 1 . 2]" 1
386 1 46 ARG HA 1 55 ASP HB2 3.500 . 5.000 4.209 3.879 4.662 . 0 0 "[ . 1 . 2]" 1
387 1 46 ARG HG3 1 55 ASP HB3 4.200 2.400 6.000 5.399 3.964 5.990 . 0 0 "[ . 1 . 2]" 1
388 1 46 ARG HG3 1 55 ASP HB2 4.200 2.400 6.000 4.537 3.027 5.117 . 0 0 "[ . 1 . 2]" 1
389 1 46 ARG HG2 1 55 ASP HB3 4.200 2.400 6.000 5.747 5.174 6.014 0.014 8 0 "[ . 1 . 2]" 1
390 1 46 ARG HG2 1 55 ASP HB2 4.200 2.400 6.000 4.611 4.140 5.039 . 0 0 "[ . 1 . 2]" 1
391 1 46 ARG HD3 1 55 ASP HB3 4.200 2.400 6.000 5.205 3.316 6.009 0.009 18 0 "[ . 1 . 2]" 1
392 1 46 ARG HD3 1 55 ASP HB2 4.200 2.400 6.000 4.464 2.590 5.357 . 0 0 "[ . 1 . 2]" 1
393 1 31 LEU QD 1 46 ARG HD3 4.100 2.300 8.400 5.134 2.986 6.007 . 0 0 "[ . 1 . 2]" 1
394 1 46 ARG HD2 1 55 ASP HB3 3.500 . 5.000 4.533 4.076 4.970 . 0 0 "[ . 1 . 2]" 1
395 1 46 ARG HD2 1 55 ASP HB2 4.200 2.400 6.000 4.057 2.787 4.536 . 0 0 "[ . 1 . 2]" 1
396 1 31 LEU QD 1 46 ARG HD2 4.100 2.300 8.400 4.285 2.223 5.861 0.077 14 0 "[ . 1 . 2]" 1
397 1 44 ILE MD 1 54 ASP HA 3.400 . 6.000 4.031 3.698 4.807 . 0 0 "[ . 1 . 2]" 1
398 1 44 ILE MG 1 54 ASP HA 4.100 2.300 7.000 4.620 3.856 5.153 . 0 0 "[ . 1 . 2]" 1
399 1 48 PRO HD3 1 54 ASP HA 3.500 . 5.000 2.824 2.049 3.889 . 0 0 "[ . 1 . 2]" 1
400 1 48 PRO HD2 1 54 ASP HA 3.500 . 5.000 2.531 1.983 3.379 0.017 17 0 "[ . 1 . 2]" 1
401 1 48 PRO QB 1 54 ASP HA 4.100 2.300 7.000 5.275 4.313 6.240 . 0 0 "[ . 1 . 2]" 1
402 1 48 PRO QG 1 54 ASP HA 3.400 . 6.000 3.590 2.460 4.814 . 0 0 "[ . 1 . 2]" 1
403 1 47 ILE HG13 1 54 ASP HA 4.200 2.400 6.000 4.570 2.559 6.000 0.000 8 0 "[ . 1 . 2]" 1
404 1 47 ILE MG 1 54 ASP HA 3.400 . 6.000 4.960 4.780 5.102 . 0 0 "[ . 1 . 2]" 1
405 1 47 ILE MD 1 54 ASP HA 4.100 2.300 7.000 3.623 2.245 5.049 0.055 10 0 "[ . 1 . 2]" 1
406 1 44 ILE MD 1 54 ASP HB3 3.400 . 6.000 2.127 1.790 2.681 0.010 7 0 "[ . 1 . 2]" 1
407 1 44 ILE QG 1 54 ASP HB3 4.100 2.300 7.000 4.157 3.729 4.696 . 0 0 "[ . 1 . 2]" 1
408 1 44 ILE MG 1 54 ASP HB3 3.400 . 6.000 2.938 2.330 3.354 . 0 0 "[ . 1 . 2]" 1
409 1 47 ILE HA 1 54 ASP HB3 4.200 2.400 6.000 3.232 2.459 3.705 . 0 0 "[ . 1 . 2]" 1
410 1 44 ILE QG 1 54 ASP HB2 2.300 . 5.200 4.226 3.769 4.591 . 0 0 "[ . 1 . 2]" 1
411 1 44 ILE MG 1 54 ASP HB2 3.400 . 6.000 3.831 2.515 4.284 . 0 0 "[ . 1 . 2]" 1
412 1 44 ILE MD 1 54 ASP HB2 3.400 . 6.000 2.266 1.832 3.539 . 0 0 "[ . 1 . 2]" 1
413 1 46 ARG QB 1 55 ASP HA 3.400 . 6.000 4.647 4.348 4.971 . 0 0 "[ . 1 . 2]" 1
414 1 46 ARG QB 1 55 ASP HB3 3.400 . 6.000 2.980 2.453 3.699 . 0 0 "[ . 1 . 2]" 1
415 1 44 ILE MG 1 55 ASP HB2 3.400 . 6.000 4.590 4.175 4.971 . 0 0 "[ . 1 . 2]" 1
416 1 44 ILE MD 1 55 ASP HB2 4.100 2.300 7.000 4.805 4.284 5.249 . 0 0 "[ . 1 . 2]" 1
417 1 46 ARG QB 1 55 ASP HB2 2.300 . 5.200 2.043 1.807 2.345 . 0 0 "[ . 1 . 2]" 1
418 1 42 GLY HA3 1 56 ARG HA 4.200 2.400 6.000 5.858 5.573 6.031 0.031 14 0 "[ . 1 . 2]" 1
419 1 42 GLY HA2 1 56 ARG HA 4.200 2.400 6.000 4.513 4.315 4.685 . 0 0 "[ . 1 . 2]" 1
420 1 44 ILE HA 1 56 ARG HA 2.600 . 3.400 2.098 1.686 2.206 0.114 8 0 "[ . 1 . 2]" 1
421 1 45 CYS HB2 1 56 ARG HA 4.200 2.400 6.000 5.450 4.966 6.199 0.199 8 0 "[ . 1 . 2]" 1
422 1 44 ILE HB 1 56 ARG HA 3.500 . 5.000 4.936 3.577 5.066 0.066 19 0 "[ . 1 . 2]" 1
423 1 44 ILE QG 1 56 ARG HA 2.300 . 5.200 4.215 3.997 4.692 . 0 0 "[ . 1 . 2]" 1
424 1 44 ILE MG 1 56 ARG HA 3.400 . 6.000 4.004 2.951 4.158 . 0 0 "[ . 1 . 2]" 1
425 1 44 ILE MD 1 56 ARG HA 3.400 . 6.000 3.285 2.996 4.966 . 0 0 "[ . 1 . 2]" 1
426 1 44 ILE MD 1 56 ARG HD3 3.400 . 6.000 2.792 2.079 4.997 . 0 0 "[ . 1 . 2]" 1
427 1 44 ILE MG 1 56 ARG HD2 4.100 2.300 7.000 5.404 2.563 5.810 . 0 0 "[ . 1 . 2]" 1
428 1 44 ILE MD 1 56 ARG HD2 4.100 2.300 7.000 3.323 2.275 5.862 0.025 18 0 "[ . 1 . 2]" 1
429 1 57 CYS HA 1 64 CYS HA 4.200 2.400 6.000 4.052 3.057 4.634 . 0 0 "[ . 1 . 2]" 1
430 1 57 CYS HA 1 65 PRO HD3 4.200 2.400 6.000 4.730 4.092 4.954 . 0 0 "[ . 1 . 2]" 1
431 1 57 CYS HA 1 65 PRO HD2 4.200 2.400 6.000 3.939 3.383 4.470 . 0 0 "[ . 1 . 2]" 1
432 1 57 CYS HA 1 65 PRO HG3 4.200 2.400 6.000 5.886 4.842 6.035 0.035 17 0 "[ . 1 . 2]" 1
433 1 43 LYS QB 1 57 CYS HB3 2.300 . 5.200 3.348 2.156 4.607 . 0 0 "[ . 1 . 2]" 1
434 1 43 LYS HG3 1 57 CYS HB3 3.500 . 5.000 4.918 4.502 5.025 0.025 4 0 "[ . 1 . 2]" 1
435 1 43 LYS HG2 1 57 CYS HB3 3.500 . 5.000 4.896 3.303 5.105 0.105 9 0 "[ . 1 . 2]" 1
436 1 43 LYS QB 1 57 CYS HB2 3.400 . 6.000 1.921 1.765 3.298 0.035 9 0 "[ . 1 . 2]" 1
437 1 43 LYS HG3 1 57 CYS HB2 3.500 . 5.000 3.860 3.474 4.075 . 0 0 "[ . 1 . 2]" 1
438 1 43 LYS HG2 1 57 CYS HB2 3.500 . 5.000 3.863 1.868 4.124 0.132 8 0 "[ . 1 . 2]" 1
439 1 41 ALA MB 1 57 CYS HB2 4.100 2.300 7.000 5.475 4.982 5.873 . 0 0 "[ . 1 . 2]" 1
440 1 41 ALA MB 1 58 THR HA 4.100 2.300 7.000 3.576 2.691 3.988 . 0 0 "[ . 1 . 2]" 1
441 1 41 ALA MB 1 58 THR HB 3.400 . 6.000 4.603 3.994 4.854 . 0 0 "[ . 1 . 2]" 1
442 1 58 THR HA 1 60 GLN QG 4.100 2.300 7.000 5.238 4.032 6.195 . 0 0 "[ . 1 . 2]" 1
443 1 41 ALA HA 1 59 GLY HA3 3.500 . 5.000 2.288 1.993 2.891 0.007 17 0 "[ . 1 . 2]" 1
444 1 41 ALA MB 1 59 GLY HA3 2.600 . 3.400 2.393 1.844 2.739 . 0 0 "[ . 1 . 2]" 1
445 1 33 CYS HA 1 62 ALA HA 4.200 2.400 6.000 3.959 3.616 4.327 . 0 0 "[ . 1 . 2]" 1
446 1 32 CYS HA 1 62 ALA HA 3.500 . 5.000 4.954 4.695 5.027 0.027 4 0 "[ . 1 . 2]" 1
447 1 32 CYS HB3 1 62 ALA HA 3.500 . 5.000 3.869 2.800 4.508 . 0 0 "[ . 1 . 2]" 1
448 1 32 CYS HB2 1 62 ALA HA 3.500 . 5.000 2.945 2.180 3.866 . 0 0 "[ . 1 . 2]" 1
449 1 31 LEU HA 1 63 ASP HA 4.200 2.400 6.000 4.677 4.423 4.915 . 0 0 "[ . 1 . 2]" 1
450 1 31 LEU HB3 1 63 ASP HA 3.500 . 5.000 4.274 2.863 4.829 . 0 0 "[ . 1 . 2]" 1
451 1 31 LEU HG 1 63 ASP HA 3.500 . 5.000 4.531 2.019 5.037 0.037 11 0 "[ . 1 . 2]" 1
452 1 31 LEU QD 1 63 ASP HA 4.100 2.300 8.400 3.576 2.661 4.522 . 0 0 "[ . 1 . 2]" 1
453 1 31 LEU HB3 1 63 ASP HB3 4.200 2.400 6.000 5.805 4.450 6.017 0.017 16 0 "[ . 1 . 2]" 1
454 1 31 LEU HB3 1 64 CYS HA 4.200 2.400 6.000 5.095 4.574 6.228 0.228 2 0 "[ . 1 . 2]" 1
455 1 31 LEU HB2 1 64 CYS HA 4.200 2.400 6.000 4.556 4.036 6.039 0.039 1 0 "[ . 1 . 2]" 1
456 1 31 LEU QD 1 64 CYS HA 2.300 . 7.400 4.534 2.214 5.388 . 0 0 "[ . 1 . 2]" 1
457 1 45 CYS HB3 1 64 CYS HA 4.200 2.400 6.000 4.365 4.014 4.721 . 0 0 "[ . 1 . 2]" 1
458 1 45 CYS HB2 1 64 CYS HA 4.200 2.400 6.000 4.271 4.072 4.505 . 0 0 "[ . 1 . 2]" 1
459 1 58 THR MG 1 64 CYS HA 4.100 2.300 7.000 5.332 4.746 5.675 . 0 0 "[ . 1 . 2]" 1
460 1 31 LEU HG 1 64 CYS HB3 3.500 . 5.000 3.963 2.479 4.864 . 0 0 "[ . 1 . 2]" 1
461 1 31 LEU QD 1 64 CYS HB3 2.300 . 5.200 2.670 1.680 3.921 0.120 2 0 "[ . 1 . 2]" 1
462 1 31 LEU HG 1 64 CYS HB2 3.500 . 5.000 4.261 3.105 5.028 0.028 6 0 "[ . 1 . 2]" 1
463 1 31 LEU HB3 1 64 CYS HB2 3.500 . 5.000 2.941 2.476 4.402 . 0 0 "[ . 1 . 2]" 1
464 1 31 LEU HB2 1 64 CYS HB2 3.500 . 5.000 2.943 2.373 4.262 . 0 0 "[ . 1 . 2]" 1
465 1 31 LEU QD 1 64 CYS HB2 2.300 . 5.200 3.117 1.567 3.985 0.233 2 0 "[ . 1 . 2]" 1
466 1 64 CYS HB2 1 65 PRO HD3 4.200 2.400 6.000 4.484 4.340 4.588 . 0 0 "[ . 1 . 2]" 1
467 1 64 CYS HB2 1 65 PRO HD2 4.200 2.400 6.000 4.160 3.942 4.387 . 0 0 "[ . 1 . 2]" 1
468 1 58 THR MG 1 65 PRO HD2 4.100 2.300 7.000 4.236 3.350 5.024 . 0 0 "[ . 1 . 2]" 1
469 1 58 THR MG 1 65 PRO HD3 3.400 . 6.000 4.591 4.201 4.885 . 0 0 "[ . 1 . 2]" 1
470 1 6 CYS HB2 1 11 ASN HD22 4.200 2.400 6.000 4.547 3.304 5.960 . 0 0 "[ . 1 . 2]" 1
471 1 6 CYS HB2 1 11 ASN HD21 3.500 . 5.000 3.662 2.116 4.880 . 0 0 "[ . 1 . 2]" 1
472 1 6 CYS HA 1 11 ASN HD21 4.200 2.400 6.000 5.283 4.257 6.002 0.002 8 0 "[ . 1 . 2]" 1
473 1 11 ASN HD22 1 28 GLY HA3 3.500 . 5.000 3.523 2.041 4.568 . 0 0 "[ . 1 . 2]" 1
474 1 11 ASN HD22 1 28 GLY HA2 4.200 2.400 6.000 3.527 2.659 4.566 . 0 0 "[ . 1 . 2]" 1
475 1 11 ASN HD21 1 28 GLY HA2 4.200 2.400 6.000 4.441 3.131 5.462 . 0 0 "[ . 1 . 2]" 1
476 1 11 ASN HD22 1 29 GLU HB3 4.200 2.400 6.000 5.377 4.451 5.937 . 0 0 "[ . 1 . 2]" 1
477 1 11 ASN HD22 1 29 GLU HB2 4.200 2.400 6.000 4.041 3.120 5.811 . 0 0 "[ . 1 . 2]" 1
478 1 11 ASN HD22 1 29 GLU HG3 4.200 2.400 6.000 5.048 4.093 5.927 . 0 0 "[ . 1 . 2]" 1
479 1 11 ASN HD22 1 29 GLU HG2 4.200 2.400 6.000 5.274 2.516 6.023 0.023 5 0 "[ . 1 . 2]" 1
480 1 11 ASN HD21 1 29 GLU HG3 4.200 2.400 6.000 4.650 3.575 5.776 . 0 0 "[ . 1 . 2]" 1
481 1 11 ASN HD21 1 29 GLU HB2 4.200 2.400 6.000 3.498 2.642 5.461 . 0 0 "[ . 1 . 2]" 1
482 1 11 ASN HD21 1 29 GLU HB3 4.200 2.400 6.000 4.968 4.183 5.659 . 0 0 "[ . 1 . 2]" 1
483 1 11 ASN HD21 1 29 GLU HG2 4.200 2.400 6.000 4.950 2.542 5.993 . 0 0 "[ . 1 . 2]" 1
484 1 26 GLN HE22 1 38 PHE H 4.200 2.400 6.000 4.781 3.188 5.946 . 0 0 "[ . 1 . 2]" 1
485 1 26 GLN HE21 1 38 PHE QE 4.100 2.300 7.400 3.821 1.963 5.331 0.337 17 0 "[ . 1 . 2]" 1
486 1 26 GLN HA 1 38 PHE QD 4.100 2.300 8.400 5.644 5.043 6.130 . 0 0 "[ . 1 . 2]" 1
487 1 26 GLN HG3 1 38 PHE QD 4.100 2.300 8.400 4.507 3.188 5.398 . 0 0 "[ . 1 . 2]" 1
488 1 26 GLN HG2 1 38 PHE QD 2.300 . 7.400 3.735 2.076 5.369 . 0 0 "[ . 1 . 2]" 1
489 1 26 GLN HB3 1 38 PHE QD 2.300 . 7.400 3.505 2.662 3.986 . 0 0 "[ . 1 . 2]" 1
490 1 26 GLN HB2 1 38 PHE QD 2.300 . 7.400 4.276 3.665 4.936 . 0 0 "[ . 1 . 2]" 1
491 1 26 GLN HG2 1 38 PHE QE 2.300 . 7.400 2.913 1.992 5.091 . 0 0 "[ . 1 . 2]" 1
492 1 26 GLN HB3 1 38 PHE QE 2.300 . 7.400 3.008 2.445 3.815 . 0 0 "[ . 1 . 2]" 1
493 1 26 GLN HB2 1 38 PHE QE 2.300 . 7.400 4.214 3.582 5.011 . 0 0 "[ . 1 . 2]" 1
494 1 27 CYS H 1 38 PHE QD 4.100 2.300 8.400 4.840 3.978 5.283 . 0 0 "[ . 1 . 2]" 1
495 1 27 CYS HA 1 38 PHE QD 4.100 2.300 8.400 5.708 4.991 6.272 . 0 0 "[ . 1 . 2]" 1
496 1 27 CYS HB3 1 38 PHE QD 2.300 . 7.400 3.453 2.488 4.725 . 0 0 "[ . 1 . 2]" 1
497 1 27 CYS HB2 1 38 PHE QD 2.300 . 7.400 4.153 2.898 5.281 . 0 0 "[ . 1 . 2]" 1
498 1 27 CYS H 1 38 PHE QE 4.100 2.300 8.400 4.433 3.350 4.932 . 0 0 "[ . 1 . 2]" 1
499 1 27 CYS HB3 1 38 PHE QE 2.300 . 5.200 2.627 2.023 3.286 . 0 0 "[ . 1 . 2]" 1
500 1 33 CYS HA 1 38 PHE QD 2.300 . 7.400 3.624 3.254 4.138 . 0 0 "[ . 1 . 2]" 1
501 1 33 CYS HB2 1 38 PHE QD 4.100 2.300 8.400 4.476 2.336 5.789 . 0 0 "[ . 1 . 2]" 1
502 1 33 CYS HB2 1 38 PHE QE 4.100 2.300 8.400 5.520 3.800 6.612 . 0 0 "[ . 1 . 2]" 1
503 1 38 PHE QD 1 60 GLN H 4.100 2.300 8.400 5.278 4.591 5.986 . 0 0 "[ . 1 . 2]" 1
504 1 38 PHE QD 1 60 GLN HA 2.300 . 5.200 2.702 2.143 3.466 . 0 0 "[ . 1 . 2]" 1
505 1 38 PHE QE 1 60 GLN H 4.100 2.300 8.400 6.407 5.250 7.172 . 0 0 "[ . 1 . 2]" 1
506 1 38 PHE QD 1 61 SER H 4.100 2.300 8.400 5.024 4.033 5.400 . 0 0 "[ . 1 . 2]" 1
507 1 38 PHE QD 1 61 SER HB2 4.100 2.300 8.400 6.377 5.811 6.832 . 0 0 "[ . 1 . 2]" 1
508 1 38 PHE QE 1 61 SER H 4.100 2.300 8.400 5.821 4.881 6.487 . 0 0 "[ . 1 . 2]" 1
509 1 38 PHE QE 1 61 SER HA 4.100 2.300 8.400 4.604 3.736 5.288 . 0 0 "[ . 1 . 2]" 1
510 1 38 PHE QE 1 61 SER HB2 4.100 2.300 8.400 6.715 5.842 7.433 . 0 0 "[ . 1 . 2]" 1
511 1 38 PHE QD 1 62 ALA H 2.300 . 7.400 3.786 2.926 4.489 . 0 0 "[ . 1 . 2]" 1
512 1 38 PHE QD 1 62 ALA HA 2.300 . 7.400 2.512 2.027 3.301 . 0 0 "[ . 1 . 2]" 1
513 1 38 PHE QE 1 62 ALA H 2.300 . 7.400 3.435 2.625 4.496 . 0 0 "[ . 1 . 2]" 1
514 1 38 PHE QD 1 63 ASP H 4.100 2.300 8.400 5.445 4.850 5.867 . 0 0 "[ . 1 . 2]" 1
515 1 38 PHE QE 1 63 ASP H 4.100 2.300 8.400 5.275 4.617 5.859 . 0 0 "[ . 1 . 2]" 1
516 1 38 PHE QE 1 62 ALA HA 2.300 . 7.400 3.812 2.912 4.641 . 0 0 "[ . 1 . 2]" 1
517 1 53 PRO HG2 1 67 TYR QD 4.100 2.300 8.400 4.950 3.300 6.183 . 0 0 "[ . 1 . 2]" 1
518 1 53 PRO HG3 1 67 TYR QD 4.100 2.300 8.400 5.739 3.634 7.089 . 0 0 "[ . 1 . 2]" 1
519 1 53 PRO HG2 1 67 TYR QE 4.100 2.300 8.400 5.072 2.654 6.503 . 0 0 "[ . 1 . 2]" 1
520 1 53 PRO HG3 1 67 TYR QE 4.100 2.300 8.400 5.529 3.394 7.074 . 0 0 "[ . 1 . 2]" 1
521 1 56 ARG H 1 67 TYR QD 4.100 2.300 8.400 5.201 2.761 6.925 . 0 0 "[ . 1 . 2]" 1
522 1 4 CYS H 1 6 CYS H 4.200 2.400 6.000 5.514 5.034 5.849 . 0 0 "[ . 1 . 2]" 1
523 1 8 SER H 1 11 ASN H 4.200 2.400 6.000 5.184 4.435 5.790 . 0 0 "[ . 1 . 2]" 1
524 1 16 ALA H 1 18 THR H 4.200 2.400 6.000 4.365 3.963 4.783 . 0 0 "[ . 1 . 2]" 1
525 1 18 THR H 1 20 LYS H 4.200 2.400 6.000 3.604 3.225 4.469 . 0 0 "[ . 1 . 2]" 1
526 1 15 ASP H 1 19 CYS H 4.200 2.400 6.000 4.875 4.480 5.315 . 0 0 "[ . 1 . 2]" 1
527 1 16 ALA H 1 19 CYS H 4.200 2.400 6.000 4.422 4.111 4.686 . 0 0 "[ . 1 . 2]" 1
528 1 31 LEU H 1 33 CYS H 4.200 2.400 6.000 4.786 4.232 5.361 . 0 0 "[ . 1 . 2]" 1
529 1 34 GLU H 1 36 CYS H 4.200 2.400 6.000 4.459 4.050 4.774 . 0 0 "[ . 1 . 2]" 1
530 1 34 GLU H 1 37 LYS H 3.500 . 5.000 3.243 2.877 3.624 . 0 0 "[ . 1 . 2]" 1
531 1 34 GLU H 1 38 PHE H 4.200 2.400 6.000 4.860 4.612 5.242 . 0 0 "[ . 1 . 2]" 1
532 1 35 GLN H 1 37 LYS H 4.200 2.400 6.000 4.040 3.865 4.403 . 0 0 "[ . 1 . 2]" 1
533 1 40 ARG H 1 43 LYS H 4.200 2.400 6.000 4.847 3.835 6.049 0.049 12 0 "[ . 1 . 2]" 1
534 1 41 ALA H 1 43 LYS H 4.200 2.400 6.000 5.164 4.653 5.639 . 0 0 "[ . 1 . 2]" 1
535 1 49 ARG H 1 52 MET H 4.200 2.400 6.000 5.366 3.886 6.071 0.071 4 0 "[ . 1 . 2]" 1
536 1 50 LEU H 1 52 MET H 4.200 2.400 6.000 4.114 3.171 5.721 . 0 0 "[ . 1 . 2]" 1
537 1 58 THR H 1 60 GLN H 4.200 2.400 6.000 4.027 3.182 4.544 . 0 0 "[ . 1 . 2]" 1
538 1 58 THR H 1 61 SER H 4.200 2.400 6.000 3.444 2.849 3.707 . 0 0 "[ . 1 . 2]" 1
539 1 59 GLY H 1 61 SER H 3.500 . 5.000 3.156 2.892 3.736 . 0 0 "[ . 1 . 2]" 1
540 1 7 SER H 1 8 SER HA 4.200 2.400 6.000 4.735 4.411 5.190 . 0 0 "[ . 1 . 2]" 1
541 1 6 CYS HA 1 8 SER H 3.500 . 5.000 4.185 3.447 4.844 . 0 0 "[ . 1 . 2]" 1
542 1 8 SER HA 1 10 GLU H 4.200 2.400 6.000 3.656 3.443 4.007 . 0 0 "[ . 1 . 2]" 1
543 1 9 PRO HA 1 11 ASN H 3.500 . 5.000 4.177 3.713 4.641 . 0 0 "[ . 1 . 2]" 1
544 1 12 PRO HA 1 14 CYS H 3.500 . 5.000 4.701 3.882 5.056 0.056 10 0 "[ . 1 . 2]" 1
545 1 15 ASP HA 1 17 ALA H 4.200 2.400 6.000 3.937 3.622 4.415 . 0 0 "[ . 1 . 2]" 1
546 1 16 ALA HA 1 18 THR H 4.200 2.400 6.000 4.318 3.752 4.986 . 0 0 "[ . 1 . 2]" 1
547 1 16 ALA HA 1 19 CYS H 4.200 2.400 6.000 3.037 2.609 3.531 . 0 0 "[ . 1 . 2]" 1
548 1 23 PRO HA 1 25 ALA H 3.500 . 5.000 4.513 4.075 4.978 . 0 0 "[ . 1 . 2]" 1
549 1 28 GLY H 1 29 GLU HA 4.200 2.400 6.000 4.931 4.675 5.112 . 0 0 "[ . 1 . 2]" 1
550 1 27 CYS HA 1 29 GLU H 3.500 . 5.000 4.063 3.799 4.431 . 0 0 "[ . 1 . 2]" 1
551 1 32 CYS H 1 33 CYS HA 4.200 2.400 6.000 4.722 4.419 5.265 . 0 0 "[ . 1 . 2]" 1
552 1 30 GLY HA2 1 33 CYS H 4.200 2.400 6.000 5.367 4.951 5.960 . 0 0 "[ . 1 . 2]" 1
553 1 30 GLY HA3 1 33 CYS H 4.200 2.400 6.000 4.223 3.812 4.716 . 0 0 "[ . 1 . 2]" 1
554 1 34 GLU H 1 35 GLN HA 4.200 2.400 6.000 5.983 5.732 6.088 0.088 19 0 "[ . 1 . 2]" 1
555 1 34 GLU H 1 38 PHE HA 4.200 2.400 6.000 3.680 3.261 4.080 . 0 0 "[ . 1 . 2]" 1
556 1 34 GLU HA 1 36 CYS H 4.200 2.400 6.000 3.584 3.275 4.028 . 0 0 "[ . 1 . 2]" 1
557 1 33 CYS HA 1 37 LYS H 4.200 2.400 6.000 4.240 3.764 4.794 . 0 0 "[ . 1 . 2]" 1
558 1 35 GLN HA 1 37 LYS H 4.200 2.400 6.000 4.298 4.138 4.788 . 0 0 "[ . 1 . 2]" 1
559 1 41 ALA HA 1 43 LYS H 3.500 . 5.000 3.558 3.029 4.422 . 0 0 "[ . 1 . 2]" 1
560 1 44 ILE HA 1 46 ARG H 4.200 2.400 6.000 3.641 3.380 4.052 . 0 0 "[ . 1 . 2]" 1
561 1 50 LEU HA 1 52 MET H 4.200 2.400 6.000 4.261 2.888 5.815 . 0 0 "[ . 1 . 2]" 1
562 1 58 THR HA 1 60 GLN H 3.500 . 5.000 4.314 4.169 4.558 . 0 0 "[ . 1 . 2]" 1
563 1 58 THR HA 1 61 SER H 3.500 . 5.000 5.039 4.960 5.120 0.120 9 0 "[ . 1 . 2]" 1
564 1 61 SER HA 1 63 ASP H 3.500 . 5.000 4.103 3.544 4.710 . 0 0 "[ . 1 . 2]" 1
565 1 3 GLU HB2 1 4 CYS H 3.500 . 5.000 3.781 2.979 4.522 . 0 0 "[ . 1 . 2]" 1
566 1 4 CYS HB2 1 5 ASP H 3.500 . 5.000 4.366 4.046 4.647 . 0 0 "[ . 1 . 2]" 1
567 1 4 CYS HB2 1 6 CYS H 3.500 . 5.000 4.587 4.075 4.992 . 0 0 "[ . 1 . 2]" 1
568 1 6 CYS HB2 1 7 SER H 4.200 2.400 6.000 3.006 2.330 4.378 0.070 12 0 "[ . 1 . 2]" 1
569 1 6 CYS HB2 1 8 SER H 3.500 . 5.000 3.346 2.268 4.778 . 0 0 "[ . 1 . 2]" 1
570 1 8 SER H 1 11 ASN HB2 4.200 2.400 6.000 3.890 3.550 4.091 . 0 0 "[ . 1 . 2]" 1
571 1 8 SER HB2 1 10 GLU H 3.500 . 5.000 3.515 2.250 4.581 . 0 0 "[ . 1 . 2]" 1
572 1 10 GLU H 1 11 ASN HB2 3.500 . 5.000 3.825 3.373 4.526 . 0 0 "[ . 1 . 2]" 1
573 1 10 GLU HB2 1 11 ASN H 4.200 2.400 6.000 4.107 2.861 4.662 . 0 0 "[ . 1 . 2]" 1
574 1 13 CYS HB2 1 14 CYS H 3.500 . 5.000 2.771 2.030 3.370 . 0 0 "[ . 1 . 2]" 1
575 1 14 CYS HB2 1 15 ASP H 3.500 . 5.000 3.540 2.836 4.390 . 0 0 "[ . 1 . 2]" 1
576 1 15 ASP HB2 1 16 ALA H 3.500 . 5.000 4.375 3.949 4.634 . 0 0 "[ . 1 . 2]" 1
577 1 15 ASP HB2 1 17 ALA H 4.200 2.400 6.000 4.513 3.289 4.943 . 0 0 "[ . 1 . 2]" 1
578 1 15 ASP HB2 1 18 THR H 4.200 2.400 6.000 3.450 2.534 4.207 . 0 0 "[ . 1 . 2]" 1
579 1 15 ASP HB2 1 19 CYS H 4.200 2.400 6.000 4.370 3.904 4.958 . 0 0 "[ . 1 . 2]" 1
580 1 19 CYS HB2 1 20 LYS H 4.200 2.400 6.000 4.417 4.205 4.688 . 0 0 "[ . 1 . 2]" 1
581 1 20 LYS HB2 1 21 LEU H 3.500 . 5.000 3.704 2.256 4.340 . 0 0 "[ . 1 . 2]" 1
582 1 26 GLN HB2 1 27 CYS H 3.500 . 5.000 2.859 2.043 3.367 . 0 0 "[ . 1 . 2]" 1
583 1 27 CYS HB2 1 28 GLY H 3.500 . 5.000 3.394 2.586 4.096 . 0 0 "[ . 1 . 2]" 1
584 1 28 GLY H 1 29 GLU HB2 4.200 2.400 6.000 4.954 4.419 5.473 . 0 0 "[ . 1 . 2]" 1
585 1 27 CYS HB2 1 29 GLU H 3.500 . 5.000 3.862 2.661 4.990 . 0 0 "[ . 1 . 2]" 1
586 1 29 GLU H 1 33 CYS HB2 4.200 2.400 6.000 4.834 4.139 6.019 0.019 1 0 "[ . 1 . 2]" 1
587 1 29 GLU HB2 1 30 GLY H 3.500 . 5.000 4.011 2.803 4.312 . 0 0 "[ . 1 . 2]" 1
588 1 30 GLY H 1 33 CYS HB2 4.200 2.400 6.000 4.133 2.709 6.012 0.012 1 0 "[ . 1 . 2]" 1
589 1 31 LEU HB2 1 32 CYS H 3.500 . 5.000 3.474 2.812 4.201 . 0 0 "[ . 1 . 2]" 1
590 1 33 CYS HB2 1 34 GLU H 4.200 2.400 6.000 4.447 4.298 4.668 . 0 0 "[ . 1 . 2]" 1
591 1 34 GLU H 1 37 LYS HB2 4.200 2.400 6.000 4.355 3.831 5.337 . 0 0 "[ . 1 . 2]" 1
592 1 34 GLU HB2 1 35 GLN H 3.500 . 5.000 4.108 3.378 4.527 . 0 0 "[ . 1 . 2]" 1
593 1 35 GLN HB2 1 36 CYS H 4.200 2.400 6.000 4.300 3.997 4.651 . 0 0 "[ . 1 . 2]" 1
594 1 35 GLN HB2 1 37 LYS H 4.200 2.400 6.000 3.939 3.071 5.107 . 0 0 "[ . 1 . 2]" 1
595 1 36 CYS HB2 1 37 LYS H 4.200 2.400 6.000 3.846 3.605 4.136 . 0 0 "[ . 1 . 2]" 1
596 1 37 LYS HB2 1 38 PHE H 3.500 . 5.000 3.686 2.356 4.112 . 0 0 "[ . 1 . 2]" 1
597 1 38 PHE HB2 1 39 SER H 3.500 . 5.000 3.817 2.941 4.239 . 0 0 "[ . 1 . 2]" 1
598 1 38 PHE HB2 1 40 ARG H 4.200 2.400 6.000 5.915 5.380 6.072 0.072 9 0 "[ . 1 . 2]" 1
599 1 39 SER HB2 1 40 ARG H 3.500 . 5.000 2.688 2.030 4.384 . 0 0 "[ . 1 . 2]" 1
600 1 45 CYS HB2 1 46 ARG H 4.200 2.400 6.000 3.812 3.419 4.098 . 0 0 "[ . 1 . 2]" 1
601 1 51 ASP HB2 1 52 MET H 4.200 2.400 6.000 4.343 3.954 4.687 . 0 0 "[ . 1 . 2]" 1
602 1 55 ASP HB2 1 56 ARG H 4.200 2.400 6.000 4.316 4.005 4.642 . 0 0 "[ . 1 . 2]" 1
603 1 57 CYS HB2 1 58 THR H 4.200 2.400 6.000 3.806 3.458 4.165 . 0 0 "[ . 1 . 2]" 1
604 1 57 CYS HB2 1 59 GLY H 4.200 2.400 6.000 2.941 2.474 4.009 . 0 0 "[ . 1 . 2]" 1
605 1 57 CYS HB2 1 60 GLN H 4.200 2.400 6.000 5.747 4.808 6.062 0.062 9 0 "[ . 1 . 2]" 1
606 1 60 GLN HB2 1 61 SER H 4.200 2.400 6.000 3.404 2.815 4.251 . 0 0 "[ . 1 . 2]" 1
607 1 63 ASP HB2 1 64 CYS H 4.200 2.400 6.000 3.102 2.390 3.473 0.010 1 0 "[ . 1 . 2]" 1
608 1 67 TYR HB2 1 68 HIS H 3.500 . 5.000 3.863 2.664 4.699 . 0 0 "[ . 1 . 2]" 1
609 1 3 GLU HB3 1 4 CYS H 3.500 . 5.000 3.647 2.344 4.494 . 0 0 "[ . 1 . 2]" 1
610 1 4 CYS HB3 1 5 ASP H 4.200 2.400 6.000 3.875 3.076 4.367 . 0 0 "[ . 1 . 2]" 1
611 1 4 CYS HB3 1 6 CYS H 3.500 . 5.000 3.619 2.869 4.542 . 0 0 "[ . 1 . 2]" 1
612 1 6 CYS HB3 1 7 SER H 4.200 2.400 6.000 3.846 2.567 4.545 . 0 0 "[ . 1 . 2]" 1
613 1 6 CYS HB3 1 8 SER H 3.500 . 5.000 4.177 2.375 4.663 . 0 0 "[ . 1 . 2]" 1
614 1 7 SER HB3 1 8 SER H 3.500 . 5.000 4.202 3.570 4.704 . 0 0 "[ . 1 . 2]" 1
615 1 8 SER H 1 11 ASN HB3 3.500 . 5.000 4.758 3.878 5.037 0.037 16 0 "[ . 1 . 2]" 1
616 1 8 SER HB3 1 10 GLU H 3.500 . 5.000 2.889 2.304 3.770 . 0 0 "[ . 1 . 2]" 1
617 1 10 GLU H 1 11 ASN HB3 3.500 . 5.000 4.999 4.914 5.036 0.036 13 0 "[ . 1 . 2]" 1
618 1 10 GLU HB3 1 11 ASN H 3.500 . 5.000 4.165 2.809 4.686 . 0 0 "[ . 1 . 2]" 1
619 1 12 PRO HB3 1 13 CYS H 4.200 2.400 6.000 4.093 3.685 4.629 . 0 0 "[ . 1 . 2]" 1
620 1 12 PRO HB2 1 13 CYS H 3.500 . 5.000 3.190 2.476 4.115 . 0 0 "[ . 1 . 2]" 1
621 1 13 CYS H 1 14 CYS HB3 4.200 2.400 6.000 5.397 4.446 5.885 . 0 0 "[ . 1 . 2]" 1
622 1 13 CYS HB3 1 14 CYS H 3.500 . 5.000 3.120 2.068 4.085 . 0 0 "[ . 1 . 2]" 1
623 1 14 CYS HB3 1 15 ASP H 3.500 . 5.000 4.275 3.366 4.644 . 0 0 "[ . 1 . 2]" 1
624 1 15 ASP HB3 1 16 ALA H 3.500 . 5.000 3.406 3.048 3.940 . 0 0 "[ . 1 . 2]" 1
625 1 15 ASP HB3 1 17 ALA H 3.500 . 5.000 3.014 2.299 3.412 . 0 0 "[ . 1 . 2]" 1
626 1 15 ASP HB3 1 18 THR H 3.500 . 5.000 2.633 2.155 3.685 . 0 0 "[ . 1 . 2]" 1
627 1 15 ASP HB3 1 19 CYS H 4.200 2.400 6.000 3.986 3.216 5.080 . 0 0 "[ . 1 . 2]" 1
628 1 19 CYS HB3 1 20 LYS H 4.200 2.400 6.000 4.358 3.730 4.709 . 0 0 "[ . 1 . 2]" 1
629 1 20 LYS HB3 1 21 LEU H 3.500 . 5.000 2.945 1.971 3.720 0.029 18 0 "[ . 1 . 2]" 1
630 1 26 GLN HB3 1 27 CYS H 3.500 . 5.000 2.880 2.323 3.500 . 0 0 "[ . 1 . 2]" 1
631 1 27 CYS HB3 1 28 GLY H 3.500 . 5.000 4.050 3.650 4.441 . 0 0 "[ . 1 . 2]" 1
632 1 28 GLY H 1 29 GLU HB3 4.200 2.400 6.000 5.131 4.579 6.050 0.050 15 0 "[ . 1 . 2]" 1
633 1 27 CYS HB3 1 29 GLU H 3.500 . 5.000 4.762 4.250 5.003 0.003 12 0 "[ . 1 . 2]" 1
634 1 29 GLU H 1 33 CYS HB3 4.200 2.400 6.000 4.454 3.908 5.203 . 0 0 "[ . 1 . 2]" 1
635 1 29 GLU HB3 1 30 GLY H 4.200 2.400 6.000 3.509 2.408 4.012 . 0 0 "[ . 1 . 2]" 1
636 1 30 GLY H 1 33 CYS HB3 4.200 2.400 6.000 4.224 3.490 5.721 . 0 0 "[ . 1 . 2]" 1
637 1 31 LEU HB3 1 32 CYS H 3.500 . 5.000 3.785 2.458 4.619 . 0 0 "[ . 1 . 2]" 1
638 1 32 CYS H 1 33 CYS HB3 4.200 2.400 6.000 4.848 4.177 5.844 . 0 0 "[ . 1 . 2]" 1
639 1 33 CYS HB3 1 34 GLU H 4.200 2.400 6.000 4.115 3.729 4.543 . 0 0 "[ . 1 . 2]" 1
640 1 34 GLU HB3 1 35 GLN H 4.200 2.400 6.000 3.639 2.779 4.277 . 0 0 "[ . 1 . 2]" 1
641 1 35 GLN HB3 1 36 CYS H 4.200 2.400 6.000 4.261 3.999 4.548 . 0 0 "[ . 1 . 2]" 1
642 1 34 GLU HB3 1 37 LYS H 4.200 2.400 6.000 5.002 4.495 5.536 . 0 0 "[ . 1 . 2]" 1
643 1 35 GLN HB3 1 37 LYS H 4.200 2.400 6.000 3.827 3.107 4.771 . 0 0 "[ . 1 . 2]" 1
644 1 36 CYS HB3 1 37 LYS H 4.200 2.400 6.000 4.455 4.265 4.592 . 0 0 "[ . 1 . 2]" 1
645 1 37 LYS HB3 1 38 PHE H 3.500 . 5.000 2.633 2.308 3.809 . 0 0 "[ . 1 . 2]" 1
646 1 38 PHE HB3 1 39 SER H 3.500 . 5.000 2.871 2.044 3.361 . 0 0 "[ . 1 . 2]" 1
647 1 38 PHE HB3 1 40 ARG H 4.200 2.400 6.000 5.415 4.747 6.033 0.033 1 0 "[ . 1 . 2]" 1
648 1 39 SER HB3 1 40 ARG H 3.500 . 5.000 2.587 1.972 4.329 0.028 8 0 "[ . 1 . 2]" 1
649 1 45 CYS HB3 1 46 ARG H 4.200 2.400 6.000 4.258 4.078 4.521 . 0 0 "[ . 1 . 2]" 1
650 1 51 ASP HB3 1 52 MET H 4.200 2.400 6.000 3.880 2.575 4.537 . 0 0 "[ . 1 . 2]" 1
651 1 54 ASP HB3 1 55 ASP H 3.500 . 5.000 2.976 1.978 3.482 0.022 13 0 "[ . 1 . 2]" 1
652 1 55 ASP HB3 1 56 ARG H 4.200 2.400 6.000 3.330 2.795 3.983 . 0 0 "[ . 1 . 2]" 1
653 1 57 CYS HB3 1 58 THR H 4.200 2.400 6.000 2.916 2.638 3.255 . 0 0 "[ . 1 . 2]" 1
654 1 57 CYS HB3 1 59 GLY H 4.200 2.400 6.000 2.622 2.353 2.858 0.047 9 0 "[ . 1 . 2]" 1
655 1 57 CYS HB3 1 60 GLN H 4.200 2.400 6.000 5.046 4.318 5.757 . 0 0 "[ . 1 . 2]" 1
656 1 60 GLN HB3 1 61 SER H 3.500 . 5.000 4.172 3.800 4.455 . 0 0 "[ . 1 . 2]" 1
657 1 63 ASP HB3 1 64 CYS H 4.200 2.400 6.000 2.537 2.378 3.897 0.022 7 0 "[ . 1 . 2]" 1
658 1 5 ASP QB 1 6 CYS H 3.400 . 6.000 3.378 2.946 3.880 . 0 0 "[ . 1 . 2]" 1
659 1 8 SER QB 1 11 ASN H 3.400 . 6.000 3.195 2.112 4.093 . 0 0 "[ . 1 . 2]" 1
660 1 16 ALA MB 1 18 THR H 4.100 2.300 7.000 4.623 4.256 5.038 . 0 0 "[ . 1 . 2]" 1
661 1 17 ALA MB 1 18 THR H 2.600 . 3.400 2.531 2.010 2.819 . 0 0 "[ . 1 . 2]" 1
662 1 16 ALA MB 1 19 CYS H 4.100 2.300 7.000 4.242 3.998 4.756 . 0 0 "[ . 1 . 2]" 1
663 1 17 ALA MB 1 19 CYS H 4.100 2.300 7.000 4.160 3.868 4.421 . 0 0 "[ . 1 . 2]" 1
664 1 18 THR HB 1 20 LYS H 4.200 2.400 6.000 4.172 3.132 4.904 . 0 0 "[ . 1 . 2]" 1
665 1 21 LEU HB2 1 22 ARG H 3.500 . 5.000 3.963 3.449 4.255 . 0 0 "[ . 1 . 2]" 1
666 1 21 LEU HB3 1 22 ARG H 3.500 . 5.000 3.241 1.962 3.763 0.038 1 0 "[ . 1 . 2]" 1
667 1 23 PRO QB 1 24 GLY H 3.400 . 6.000 2.697 2.087 3.973 . 0 0 "[ . 1 . 2]" 1
668 1 21 LEU HB2 1 25 ALA H 4.200 2.400 6.000 3.853 3.190 5.749 . 0 0 "[ . 1 . 2]" 1
669 1 21 LEU HB3 1 25 ALA H 4.200 2.400 6.000 3.717 3.294 4.346 . 0 0 "[ . 1 . 2]" 1
670 1 25 ALA MB 1 26 GLN H 3.400 . 6.000 2.226 1.781 2.771 0.019 15 0 "[ . 1 . 2]" 1
671 1 40 ARG QB 1 41 ALA H 2.600 . 3.400 2.533 2.212 2.849 . 0 0 "[ . 1 . 2]" 1
672 1 41 ALA MB 1 42 GLY H 3.400 . 6.000 3.040 2.402 3.728 . 0 0 "[ . 1 . 2]" 1
673 1 41 ALA MB 1 43 LYS H 4.100 2.300 7.000 4.618 4.079 5.344 . 0 0 "[ . 1 . 2]" 1
674 1 44 ILE HB 1 45 CYS H 3.500 . 5.000 4.264 2.725 4.444 . 0 0 "[ . 1 . 2]" 1
675 1 44 ILE HB 1 46 ARG H 4.200 2.400 6.000 5.119 2.885 5.729 . 0 0 "[ . 1 . 2]" 1
676 1 46 ARG QB 1 47 ILE H 4.100 2.300 7.000 3.242 2.362 3.850 . 0 0 "[ . 1 . 2]" 1
677 1 48 PRO QB 1 49 ARG H 3.400 . 6.000 2.669 1.737 3.805 0.063 1 0 "[ . 1 . 2]" 1
678 1 49 ARG QB 1 50 LEU H 3.400 . 6.000 3.452 1.935 3.927 . 0 0 "[ . 1 . 2]" 1
679 1 50 LEU QB 1 51 ASP H 4.100 2.300 7.000 2.824 1.845 4.036 0.455 16 0 "[ . 1 . 2]" 1
680 1 50 LEU QB 1 52 MET H 4.100 2.300 7.000 4.401 2.240 5.322 0.060 2 0 "[ . 1 . 2]" 1
681 1 53 PRO QB 1 54 ASP H 2.300 . 5.200 3.095 2.410 3.916 . 0 0 "[ . 1 . 2]" 1
682 1 56 ARG QB 1 57 CYS H 2.300 . 5.200 2.725 2.371 3.248 . 0 0 "[ . 1 . 2]" 1
683 1 58 THR HB 1 60 GLN H 3.500 . 5.000 3.661 2.999 4.475 . 0 0 "[ . 1 . 2]" 1
684 1 58 THR HB 1 61 SER H 4.200 2.400 6.000 4.379 3.886 5.085 . 0 0 "[ . 1 . 2]" 1
685 1 61 SER QB 1 62 ALA H 2.300 . 5.200 3.427 2.836 3.900 . 0 0 "[ . 1 . 2]" 1
686 1 61 SER QB 1 63 ASP H 4.100 2.300 7.000 3.728 3.037 5.012 . 0 0 "[ . 1 . 2]" 1
687 1 62 ALA MB 1 63 ASP H 3.400 . 6.000 2.524 1.901 2.992 . 0 0 "[ . 1 . 2]" 1
688 1 65 PRO QB 1 66 ARG H 3.400 . 6.000 2.112 1.824 3.996 . 0 0 "[ . 1 . 2]" 1
689 1 65 PRO QB 1 67 TYR H 4.100 2.300 7.000 5.314 4.355 5.871 . 0 0 "[ . 1 . 2]" 1
690 1 66 ARG QB 1 67 TYR H 4.100 2.300 7.000 2.858 1.850 3.814 0.450 16 0 "[ . 1 . 2]" 1
691 1 66 ARG QB 1 68 HIS H 4.100 2.300 7.000 4.425 2.221 6.080 0.079 11 0 "[ . 1 . 2]" 1
692 1 2 LYS QG 1 4 CYS H 4.100 2.300 7.000 4.761 3.463 6.260 . 0 0 "[ . 1 . 2]" 1
693 1 12 PRO QG 1 13 CYS H 3.400 . 6.000 2.548 1.967 3.822 . 0 0 "[ . 1 . 2]" 1
694 1 17 ALA H 1 18 THR MG 3.400 . 6.000 4.333 3.782 4.773 . 0 0 "[ . 1 . 2]" 1
695 1 18 THR MG 1 19 CYS H 3.400 . 6.000 3.611 2.445 4.298 . 0 0 "[ . 1 . 2]" 1
696 1 18 THR MG 1 20 LYS H 4.100 2.300 7.000 3.346 1.854 5.269 0.446 11 0 "[ . 1 . 2]" 1
697 1 20 LYS QG 1 21 LEU H 3.400 . 6.000 3.499 2.288 4.336 . 0 0 "[ . 1 . 2]" 1
698 1 21 LEU HG 1 22 ARG H 3.500 . 5.000 4.488 3.282 4.847 . 0 0 "[ . 1 . 2]" 1
699 1 23 PRO QG 1 24 GLY H 4.100 2.300 7.000 4.232 3.869 4.651 . 0 0 "[ . 1 . 2]" 1
700 1 21 LEU HG 1 25 ALA H 4.200 2.400 6.000 6.014 5.863 6.097 0.097 12 0 "[ . 1 . 2]" 1
701 1 26 GLN HG3 1 27 CYS H 3.500 . 5.000 4.684 4.324 4.940 . 0 0 "[ . 1 . 2]" 1
702 1 26 GLN HG2 1 27 CYS H 4.200 2.400 6.000 4.752 3.802 5.160 . 0 0 "[ . 1 . 2]" 1
703 1 29 GLU QG 1 30 GLY H 2.300 . 5.200 2.316 1.855 4.265 . 0 0 "[ . 1 . 2]" 1
704 1 31 LEU HG 1 32 CYS H 4.200 2.400 6.000 4.936 3.605 5.712 . 0 0 "[ . 1 . 2]" 1
705 1 35 GLN QG 1 36 CYS H 4.100 2.300 7.000 4.500 3.707 4.883 . 0 0 "[ . 1 . 2]" 1
706 1 34 GLU QG 1 37 LYS H 3.400 . 6.000 5.040 3.534 5.437 . 0 0 "[ . 1 . 2]" 1
707 1 37 LYS HG3 1 38 PHE H 4.200 2.400 6.000 4.422 2.898 5.121 . 0 0 "[ . 1 . 2]" 1
708 1 37 LYS HG2 1 38 PHE H 4.200 2.400 6.000 3.983 2.653 4.976 . 0 0 "[ . 1 . 2]" 1
709 1 43 LYS HG3 1 44 ILE H 3.500 . 5.000 3.481 3.069 4.632 . 0 0 "[ . 1 . 2]" 1
710 1 43 LYS HG2 1 44 ILE H 3.500 . 5.000 4.511 2.954 4.769 . 0 0 "[ . 1 . 2]" 1
711 1 44 ILE MG 1 45 CYS H 4.100 2.300 7.000 2.773 2.000 3.918 0.300 5 0 "[ . 1 . 2]" 1
712 1 44 ILE MG 1 46 ARG H 4.100 2.300 7.000 2.768 2.247 4.460 0.053 1 0 "[ . 1 . 2]" 1
713 1 46 ARG HG3 1 47 ILE H 4.200 2.400 6.000 3.995 2.863 5.135 . 0 0 "[ . 1 . 2]" 1
714 1 46 ARG HG2 1 47 ILE H 4.200 2.400 6.000 3.389 2.399 4.741 0.001 13 0 "[ . 1 . 2]" 1
715 1 47 ILE MG 1 49 ARG H 3.400 . 6.000 4.521 3.863 4.896 . 0 0 "[ . 1 . 2]" 1
716 1 49 ARG HG3 1 50 LEU H 4.200 2.400 6.000 4.395 2.624 5.941 . 0 0 "[ . 1 . 2]" 1
717 1 49 ARG HG2 1 50 LEU H 4.200 2.400 6.000 4.845 2.378 5.950 0.022 10 0 "[ . 1 . 2]" 1
718 1 48 PRO QG 1 51 ASP H 4.100 2.300 7.000 5.451 4.430 6.129 . 0 0 "[ . 1 . 2]" 1
719 1 50 LEU HG 1 51 ASP H 4.200 2.400 6.000 4.280 2.373 5.669 0.027 4 0 "[ . 1 . 2]" 1
720 1 50 LEU HG 1 52 MET H 4.200 2.400 6.000 5.167 2.653 6.333 0.333 13 0 "[ . 1 . 2]" 1
721 1 53 PRO HG3 1 54 ASP H 4.200 2.400 6.000 5.528 5.061 5.822 . 0 0 "[ . 1 . 2]" 1
722 1 53 PRO HG2 1 54 ASP H 3.500 . 5.000 4.932 4.413 5.156 0.156 1 0 "[ . 1 . 2]" 1
723 1 56 ARG QG 1 57 CYS H 2.300 . 5.200 3.863 2.790 4.452 . 0 0 "[ . 1 . 2]" 1
724 1 58 THR MG 1 59 GLY H 4.100 2.300 7.000 3.978 3.253 4.214 . 0 0 "[ . 1 . 2]" 1
725 1 58 THR MG 1 60 GLN H 4.100 2.300 7.000 4.191 2.119 4.601 0.181 2 0 "[ . 1 . 2]" 1
726 1 58 THR MG 1 61 SER H 4.100 2.300 7.000 3.883 2.171 4.378 0.129 2 0 "[ . 1 . 2]" 1
727 1 60 GLN QG 1 61 SER H 4.100 2.300 7.000 3.517 1.940 4.437 0.360 11 0 "[ . 1 . 2]" 1
728 1 65 PRO QG 1 66 ARG H 4.100 2.300 7.000 3.502 1.990 4.665 0.310 16 0 "[ . 1 . 2]" 1
729 1 65 PRO QG 1 67 TYR H 4.100 2.300 7.000 5.781 4.798 6.092 . 0 0 "[ . 1 . 2]" 1
730 1 66 ARG QG 1 67 TYR H 3.400 . 6.000 3.254 2.021 4.475 . 0 0 "[ . 1 . 2]" 1
731 1 66 ARG QG 1 68 HIS H 4.100 2.300 7.000 4.644 2.257 6.276 0.043 16 0 "[ . 1 . 2]" 1
732 1 12 PRO HD3 1 13 CYS H 3.500 . 5.000 3.731 3.646 4.064 . 0 0 "[ . 1 . 2]" 1
733 1 12 PRO HD2 1 13 CYS H 3.500 . 5.000 2.406 2.244 3.035 . 0 0 "[ . 1 . 2]" 1
734 1 21 LEU MD1 1 22 ARG H 4.100 2.300 7.000 5.010 4.290 5.370 . 0 0 "[ . 1 . 2]" 1
735 1 21 LEU MD2 1 22 ARG H 3.400 . 6.000 4.442 2.998 4.933 . 0 0 "[ . 1 . 2]" 1
736 1 21 LEU MD2 1 25 ALA H 4.100 2.300 7.000 4.058 3.453 4.360 . 0 0 "[ . 1 . 2]" 1
737 1 21 LEU MD1 1 25 ALA H 4.100 2.300 7.000 4.594 4.058 5.979 . 0 0 "[ . 1 . 2]" 1
738 1 31 LEU QD 1 32 CYS H 4.100 2.300 8.000 4.020 3.055 4.422 . 0 0 "[ . 1 . 2]" 1
739 1 31 LEU QD 1 33 CYS H 4.100 2.300 8.000 5.159 4.064 5.866 . 0 0 "[ . 1 . 2]" 1
740 1 37 LYS QD 1 38 PHE H 4.100 2.300 7.000 4.342 3.354 5.101 . 0 0 "[ . 1 . 2]" 1
741 1 40 ARG QD 1 41 ALA H 3.400 . 6.000 4.587 2.791 5.331 . 0 0 "[ . 1 . 2]" 1
742 1 43 LYS QD 1 44 ILE H 4.100 2.300 7.000 2.427 1.965 5.501 0.335 15 0 "[ . 1 . 2]" 1
743 1 44 ILE MD 1 45 CYS H 3.400 . 6.000 3.349 2.951 3.553 . 0 0 "[ . 1 . 2]" 1
744 1 44 ILE MD 1 46 ARG H 3.500 . 5.000 3.785 2.828 4.034 . 0 0 "[ . 1 . 2]" 1
745 1 47 ILE H 1 48 PRO QD 2.300 . 5.200 3.677 2.774 4.192 . 0 0 "[ . 1 . 2]" 1
746 1 48 PRO QD 1 49 ARG H 4.100 2.300 7.000 4.041 2.333 5.003 . 0 0 "[ . 1 . 2]" 1
747 1 49 ARG QD 1 50 LEU H 4.100 2.300 7.000 4.260 1.838 5.887 0.462 6 0 "[ . 1 . 2]" 1
748 1 50 LEU QD 1 51 ASP H 3.400 . 6.000 2.646 1.799 3.672 0.001 7 0 "[ . 1 . 2]" 1
749 1 50 LEU QD 1 52 MET H 4.100 2.300 7.000 3.121 1.798 4.107 0.502 2 1 "[ + . 1 . 2]" 1
750 1 52 MET H 1 53 PRO HD3 4.200 2.400 6.000 4.823 4.655 4.947 . 0 0 "[ . 1 . 2]" 1
751 1 52 MET H 1 53 PRO HD2 4.200 2.400 6.000 4.804 4.669 4.926 . 0 0 "[ . 1 . 2]" 1
752 1 56 ARG QD 1 57 CYS H 4.100 2.300 7.000 4.549 3.690 5.183 . 0 0 "[ . 1 . 2]" 1
753 1 64 CYS H 1 65 PRO QD 4.100 2.300 7.000 3.870 3.415 4.125 . 0 0 "[ . 1 . 2]" 1
754 1 65 PRO QD 1 66 ARG H 4.100 2.300 7.000 4.375 3.088 4.996 . 0 0 "[ . 1 . 2]" 1
755 1 66 ARG QD 1 67 TYR H 4.100 2.300 7.000 4.458 3.149 5.418 . 0 0 "[ . 1 . 2]" 1
756 1 3 GLU HA 1 4 CYS HA 4.200 2.400 6.000 4.544 4.461 4.663 . 0 0 "[ . 1 . 2]" 1
757 1 6 CYS HA 1 7 SER HA 4.200 2.400 6.000 4.608 4.427 5.386 . 0 0 "[ . 1 . 2]" 1
758 1 4 CYS HB3 1 7 SER HA 4.200 2.400 6.000 4.984 4.255 6.010 0.010 16 0 "[ . 1 . 2]" 1
759 1 4 CYS HB2 1 7 SER HA 4.200 2.400 6.000 5.907 5.231 6.048 0.048 1 0 "[ . 1 . 2]" 1
760 1 8 SER HA 1 9 PRO HA 3.500 . 5.000 4.442 4.412 4.489 . 0 0 "[ . 1 . 2]" 1
761 1 8 SER HA 1 9 PRO QB 3.400 . 6.000 4.559 4.534 4.609 . 0 0 "[ . 1 . 2]" 1
762 1 8 SER HA 1 10 GLU QB 4.100 2.300 7.000 5.384 4.860 6.222 . 0 0 "[ . 1 . 2]" 1
763 1 8 SER HB2 1 11 ASN HB3 3.500 . 5.000 4.231 3.252 4.860 . 0 0 "[ . 1 . 2]" 1
764 1 8 SER HB2 1 11 ASN HB2 3.500 . 5.000 2.708 1.980 3.421 0.020 16 0 "[ . 1 . 2]" 1
765 1 8 SER HB2 1 10 GLU QB 4.100 2.300 7.000 4.940 3.728 6.118 . 0 0 "[ . 1 . 2]" 1
766 1 13 CYS HA 1 14 CYS QB 4.100 2.300 7.000 5.293 5.007 5.609 . 0 0 "[ . 1 . 2]" 1
767 1 13 CYS HA 1 14 CYS HA 4.200 2.400 6.000 4.603 4.456 4.731 . 0 0 "[ . 1 . 2]" 1
768 1 14 CYS HA 1 15 ASP HA 4.200 2.400 6.000 4.441 4.395 4.500 . 0 0 "[ . 1 . 2]" 1
769 1 14 CYS HA 1 15 ASP HB3 4.200 2.400 6.000 5.595 5.387 5.730 . 0 0 "[ . 1 . 2]" 1
770 1 14 CYS HA 1 15 ASP HB2 4.200 2.400 6.000 4.341 4.194 4.925 . 0 0 "[ . 1 . 2]" 1
771 1 14 CYS QB 1 15 ASP HA 4.100 2.300 7.000 4.907 4.378 5.261 . 0 0 "[ . 1 . 2]" 1
772 1 15 ASP HB3 1 18 THR MG 3.400 . 6.000 3.132 1.810 4.320 . 0 0 "[ . 1 . 2]" 1
773 1 15 ASP HB2 1 18 THR MG 3.400 . 6.000 3.190 1.803 4.520 . 0 0 "[ . 1 . 2]" 1
774 1 14 CYS QB 1 16 ALA HA 4.100 2.300 7.000 5.153 4.394 5.628 . 0 0 "[ . 1 . 2]" 1
775 1 20 LYS HA 1 21 LEU MD1 4.100 2.300 7.000 3.494 2.790 4.084 . 0 0 "[ . 1 . 2]" 1
776 1 20 LYS HA 1 21 LEU MD2 4.100 2.300 7.000 5.078 4.836 5.803 . 0 0 "[ . 1 . 2]" 1
777 1 21 LEU QB 1 23 PRO HA 4.100 2.300 7.000 5.262 4.121 5.618 . 0 0 "[ . 1 . 2]" 1
778 1 22 ARG HD3 1 23 PRO HD2 4.200 2.400 6.000 5.305 4.188 5.955 . 0 0 "[ . 1 . 2]" 1
779 1 22 ARG HD2 1 23 PRO HD2 4.200 2.400 6.000 5.347 2.863 6.054 0.054 5 0 "[ . 1 . 2]" 1
780 1 21 LEU HB2 1 23 PRO HD2 4.200 2.400 6.000 4.280 3.539 6.200 0.200 15 0 "[ . 1 . 2]" 1
781 1 21 LEU HB3 1 23 PRO HD2 3.500 . 5.000 3.383 2.644 5.426 0.426 18 0 "[ . 1 . 2]" 1
782 1 21 LEU HB2 1 23 PRO HD3 4.200 2.400 6.000 5.419 5.175 5.739 . 0 0 "[ . 1 . 2]" 1
783 1 21 LEU HB3 1 23 PRO HD3 3.500 . 5.000 4.685 4.399 4.987 . 0 0 "[ . 1 . 2]" 1
784 1 24 GLY HA2 1 25 ALA MB 4.100 2.300 7.000 4.519 4.324 4.956 . 0 0 "[ . 1 . 2]" 1
785 1 25 ALA HA 1 26 GLN HA 4.200 2.400 6.000 4.479 4.406 4.652 . 0 0 "[ . 1 . 2]" 1
786 1 27 CYS HA 1 28 GLY HA2 4.200 2.400 6.000 4.425 4.388 4.452 . 0 0 "[ . 1 . 2]" 1
787 1 28 GLY HA2 1 29 GLU HB3 4.200 2.400 6.000 5.961 5.585 6.091 0.091 15 0 "[ . 1 . 2]" 1
788 1 28 GLY HA2 1 29 GLU HB2 4.200 2.400 6.000 5.140 4.905 6.034 0.034 15 0 "[ . 1 . 2]" 1
789 1 28 GLY HA2 1 29 GLU QG 4.100 2.300 7.000 5.873 3.781 6.319 . 0 0 "[ . 1 . 2]" 1
790 1 30 GLY HA3 1 31 LEU HB2 4.200 2.400 6.000 5.028 4.772 5.908 . 0 0 "[ . 1 . 2]" 1
791 1 30 GLY HA2 1 31 LEU QD 4.100 2.300 8.400 3.997 2.801 5.160 . 0 0 "[ . 1 . 2]" 1
792 1 30 GLY HA3 1 31 LEU QD 4.100 2.300 8.400 4.715 3.672 5.561 . 0 0 "[ . 1 . 2]" 1
793 1 30 GLY HA2 1 33 CYS HB2 4.200 2.400 6.000 4.910 4.171 5.861 . 0 0 "[ . 1 . 2]" 1
794 1 31 LEU HA 1 32 CYS HA 4.200 2.400 6.000 4.512 4.428 4.662 . 0 0 "[ . 1 . 2]" 1
795 1 31 LEU QD 1 32 CYS HA 4.100 2.300 8.400 4.796 3.879 5.374 . 0 0 "[ . 1 . 2]" 1
796 1 33 CYS HA 1 34 GLU HB3 4.200 2.400 6.000 5.267 4.464 5.869 . 0 0 "[ . 1 . 2]" 1
797 1 33 CYS HA 1 34 GLU HB2 4.200 2.400 6.000 4.770 4.251 5.846 . 0 0 "[ . 1 . 2]" 1
798 1 33 CYS HA 1 34 GLU QG 4.100 2.300 7.000 4.842 3.587 5.976 . 0 0 "[ . 1 . 2]" 1
799 1 33 CYS HA 1 34 GLU HA 4.200 2.400 6.000 4.469 4.449 4.486 . 0 0 "[ . 1 . 2]" 1
800 1 37 LYS HA 1 38 PHE HA 4.200 2.400 6.000 4.372 4.361 4.380 . 0 0 "[ . 1 . 2]" 1
801 1 38 PHE HA 1 39 SER HA 3.500 . 5.000 4.404 4.373 4.441 . 0 0 "[ . 1 . 2]" 1
802 1 39 SER HB3 1 43 LYS QE 4.100 2.300 7.000 3.795 2.549 5.009 . 0 0 "[ . 1 . 2]" 1
803 1 39 SER HB2 1 43 LYS QD 3.400 . 6.000 4.220 1.774 5.078 0.026 8 0 "[ . 1 . 2]" 1
804 1 39 SER HB2 1 43 LYS HG3 3.500 . 5.000 4.349 3.449 5.023 0.023 2 0 "[ . 1 . 2]" 1
805 1 39 SER HB2 1 43 LYS HG2 4.200 2.400 6.000 3.024 2.406 5.124 . 0 0 "[ . 1 . 2]" 1
806 1 40 ARG HA 1 41 ALA HA 3.500 . 5.000 4.378 4.366 4.393 . 0 0 "[ . 1 . 2]" 1
807 1 38 PHE HB2 1 40 ARG HA 4.200 2.400 6.000 5.333 5.098 5.735 . 0 0 "[ . 1 . 2]" 1
808 1 40 ARG HA 1 41 ALA MB 3.400 . 6.000 4.138 4.073 4.195 . 0 0 "[ . 1 . 2]" 1
809 1 41 ALA MB 1 42 GLY HA3 4.100 2.300 7.000 3.949 3.826 4.245 . 0 0 "[ . 1 . 2]" 1
810 1 41 ALA MB 1 42 GLY HA2 4.100 2.300 7.000 4.420 4.105 4.637 . 0 0 "[ . 1 . 2]" 1
811 1 44 ILE HA 1 45 CYS HB3 4.200 2.400 6.000 4.871 4.725 5.048 . 0 0 "[ . 1 . 2]" 1
812 1 44 ILE HA 1 45 CYS HB2 4.200 2.400 6.000 5.705 5.458 5.779 . 0 0 "[ . 1 . 2]" 1
813 1 45 CYS HA 1 46 ARG HA 3.500 . 5.000 4.536 4.496 4.566 . 0 0 "[ . 1 . 2]" 1
814 1 44 ILE HA 1 45 CYS HA 3.500 . 5.000 4.459 4.409 4.495 . 0 0 "[ . 1 . 2]" 1
815 1 43 LYS HG3 1 45 CYS HA 4.200 2.400 6.000 4.050 3.752 5.559 . 0 0 "[ . 1 . 2]" 1
816 1 43 LYS HG2 1 45 CYS HA 4.200 2.400 6.000 5.202 4.883 5.486 . 0 0 "[ . 1 . 2]" 1
817 1 43 LYS QE 1 45 CYS HA 4.100 2.300 7.000 4.786 2.444 6.307 . 0 0 "[ . 1 . 2]" 1
818 1 44 ILE MG 1 45 CYS HA 4.100 2.300 7.000 3.750 3.404 5.545 . 0 0 "[ . 1 . 2]" 1
819 1 44 ILE QG 1 45 CYS HA 4.100 2.300 7.000 5.928 3.894 6.073 . 0 0 "[ . 1 . 2]" 1
820 1 46 ARG HA 1 47 ILE MG 3.400 . 6.000 4.450 3.537 5.228 . 0 0 "[ . 1 . 2]" 1
821 1 46 ARG HA 1 47 ILE MD 4.100 2.300 7.000 5.668 5.267 5.830 . 0 0 "[ . 1 . 2]" 1
822 1 47 ILE MG 1 48 PRO HA 3.400 . 6.000 4.037 3.772 4.409 . 0 0 "[ . 1 . 2]" 1
823 1 47 ILE HA 1 48 PRO HD3 3.500 . 5.000 2.123 1.903 2.585 0.097 10 0 "[ . 1 . 2]" 1
824 1 47 ILE HB 1 48 PRO HD3 4.200 2.400 6.000 4.692 4.535 4.883 . 0 0 "[ . 1 . 2]" 1
825 1 47 ILE MG 1 48 PRO HD3 3.400 . 6.000 4.211 3.667 4.518 . 0 0 "[ . 1 . 2]" 1
826 1 47 ILE HG12 1 48 PRO HD3 4.200 2.400 6.000 4.420 3.628 5.711 . 0 0 "[ . 1 . 2]" 1
827 1 47 ILE MD 1 48 PRO HD3 4.100 2.300 7.000 4.004 2.703 5.538 . 0 0 "[ . 1 . 2]" 1
828 1 47 ILE HA 1 48 PRO HD2 3.500 . 5.000 2.165 2.048 2.402 . 0 0 "[ . 1 . 2]" 1
829 1 47 ILE HB 1 48 PRO HD2 4.200 2.400 6.000 4.571 4.182 4.906 . 0 0 "[ . 1 . 2]" 1
830 1 47 ILE MG 1 48 PRO HD2 3.400 . 6.000 3.798 2.679 4.580 . 0 0 "[ . 1 . 2]" 1
831 1 47 ILE HG12 1 48 PRO HD2 4.200 2.400 6.000 3.691 2.361 4.931 0.039 11 0 "[ . 1 . 2]" 1
832 1 47 ILE MD 1 48 PRO HD2 4.100 2.300 7.000 3.063 1.805 4.947 0.495 10 0 "[ . 1 . 2]" 1
833 1 47 ILE MG 1 49 ARG HA 4.100 2.300 7.000 4.503 3.628 5.689 . 0 0 "[ . 1 . 2]" 1
834 1 47 ILE MD 1 49 ARG HA 4.100 2.300 7.000 4.654 2.681 5.799 . 0 0 "[ . 1 . 2]" 1
835 1 47 ILE MG 1 49 ARG QD 4.100 2.300 8.000 4.330 2.506 5.680 . 0 0 "[ . 1 . 2]" 1
836 1 47 ILE MD 1 49 ARG QD 4.100 2.300 8.000 4.848 2.563 5.901 . 0 0 "[ . 1 . 2]" 1
837 1 50 LEU HA 1 51 ASP HB3 4.200 2.400 6.000 5.479 4.648 5.984 . 0 0 "[ . 1 . 2]" 1
838 1 50 LEU HA 1 51 ASP HB2 4.200 2.400 6.000 4.871 3.778 5.845 . 0 0 "[ . 1 . 2]" 1
839 1 48 PRO HD3 1 50 LEU MD1 4.100 2.300 7.000 5.513 4.309 5.809 . 0 0 "[ . 1 . 2]" 1
840 1 48 PRO HD2 1 50 LEU MD1 4.100 2.300 7.000 4.875 3.761 5.748 . 0 0 "[ . 1 . 2]" 1
841 1 48 PRO HD2 1 50 LEU MD2 4.100 2.300 7.000 5.222 3.737 5.818 . 0 0 "[ . 1 . 2]" 1
842 1 50 LEU MD1 1 51 ASP HA 4.100 2.300 7.000 5.084 3.847 5.826 . 0 0 "[ . 1 . 2]" 1
843 1 50 LEU MD2 1 51 ASP HA 4.100 2.300 7.000 5.108 3.476 6.010 . 0 0 "[ . 1 . 2]" 1
844 1 52 MET HA 1 53 PRO HA 4.200 2.400 6.000 4.391 4.383 4.403 . 0 0 "[ . 1 . 2]" 1
845 1 52 MET HA 1 53 PRO HB3 4.200 2.400 6.000 4.911 4.838 5.004 . 0 0 "[ . 1 . 2]" 1
846 1 52 MET HA 1 53 PRO HD3 3.500 . 5.000 2.146 1.960 2.333 0.040 18 0 "[ . 1 . 2]" 1
847 1 52 MET HA 1 53 PRO HD2 3.500 . 5.000 2.792 2.523 3.078 . 0 0 "[ . 1 . 2]" 1
848 1 52 MET HA 1 53 PRO HG3 3.500 . 5.000 4.419 4.229 4.589 . 0 0 "[ . 1 . 2]" 1
849 1 52 MET HA 1 53 PRO HG2 3.500 . 5.000 4.755 4.528 4.983 . 0 0 "[ . 1 . 2]" 1
850 1 53 PRO HA 1 54 ASP HB3 4.200 2.400 6.000 5.766 5.635 5.933 . 0 0 "[ . 1 . 2]" 1
851 1 53 PRO HA 1 54 ASP HB2 3.500 . 5.000 4.912 4.568 5.047 0.047 18 0 "[ . 1 . 2]" 1
852 1 52 MET HG3 1 53 PRO HD3 4.200 2.400 6.000 4.205 2.394 5.040 0.006 2 0 "[ . 1 . 2]" 1
853 1 52 MET HG2 1 53 PRO HD3 4.200 2.400 6.000 3.485 2.370 5.040 0.030 8 0 "[ . 1 . 2]" 1
854 1 52 MET HB3 1 53 PRO HD3 3.400 . 6.000 3.109 2.431 4.037 . 0 0 "[ . 1 . 2]" 1
855 1 52 MET HB2 1 53 PRO HD3 3.400 . 6.000 4.090 2.747 4.497 . 0 0 "[ . 1 . 2]" 1
856 1 52 MET ME 1 53 PRO HD3 3.400 . 6.000 4.120 2.542 5.000 . 0 0 "[ . 1 . 2]" 1
857 1 52 MET HG3 1 53 PRO HD2 4.200 2.400 6.000 3.666 2.423 4.521 . 0 0 "[ . 1 . 2]" 1
858 1 52 MET HG2 1 53 PRO HD2 4.200 2.400 6.000 3.170 2.377 4.495 0.023 6 0 "[ . 1 . 2]" 1
859 1 52 MET HB3 1 53 PRO HD2 2.300 . 5.200 1.981 1.792 3.486 0.008 15 0 "[ . 1 . 2]" 1
860 1 52 MET HB2 1 53 PRO HD2 2.300 . 5.200 3.215 1.798 3.769 0.002 7 0 "[ . 1 . 2]" 1
861 1 52 MET ME 1 53 PRO HD2 2.300 . 5.200 3.576 1.980 4.183 . 0 0 "[ . 1 . 2]" 1
862 1 53 PRO HG2 1 54 ASP HA 4.200 2.400 6.000 5.565 5.119 5.845 . 0 0 "[ . 1 . 2]" 1
863 1 53 PRO HD2 1 54 ASP HA 4.200 2.400 6.000 5.719 5.233 5.955 . 0 0 "[ . 1 . 2]" 1
864 1 54 ASP HB3 1 56 ARG QB 4.100 2.300 7.000 6.082 5.788 6.312 . 0 0 "[ . 1 . 2]" 1
865 1 54 ASP HB3 1 56 ARG QG 4.100 2.300 7.000 4.192 3.772 5.214 . 0 0 "[ . 1 . 2]" 1
866 1 54 ASP HB2 1 56 ARG QB 4.100 2.300 7.000 5.360 5.011 5.866 . 0 0 "[ . 1 . 2]" 1
867 1 54 ASP HB2 1 56 ARG QG 4.100 2.300 7.000 3.495 2.947 4.904 . 0 0 "[ . 1 . 2]" 1
868 1 55 ASP HA 1 56 ARG QB 4.100 2.300 7.000 4.381 3.972 4.792 . 0 0 "[ . 1 . 2]" 1
869 1 55 ASP HA 1 56 ARG QG 4.100 2.300 7.000 3.940 3.111 5.056 . 0 0 "[ . 1 . 2]" 1
870 1 56 ARG HA 1 57 CYS HB2 4.200 2.400 6.000 4.900 4.296 5.130 . 0 0 "[ . 1 . 2]" 1
871 1 54 ASP HB3 1 56 ARG HA 4.200 2.400 6.000 5.745 5.355 6.014 0.014 2 0 "[ . 1 . 2]" 1
872 1 54 ASP HB2 1 56 ARG HA 4.200 2.400 6.000 5.640 5.286 6.039 0.039 18 0 "[ . 1 . 2]" 1
873 1 58 THR HB 1 60 GLN QB 4.100 2.300 7.000 4.621 3.648 5.926 . 0 0 "[ . 1 . 2]" 1
874 1 58 THR HB 1 60 GLN QG 3.400 . 6.000 4.014 2.519 4.968 . 0 0 "[ . 1 . 2]" 1
875 1 59 GLY HA3 1 60 GLN QG 3.400 . 6.000 3.734 3.241 4.693 . 0 0 "[ . 1 . 2]" 1
876 1 62 ALA HA 1 63 ASP HA 4.200 2.400 6.000 4.642 4.568 4.688 . 0 0 "[ . 1 . 2]" 1
877 1 62 ALA MB 1 63 ASP HA 4.100 2.300 7.000 3.857 3.744 4.019 . 0 0 "[ . 1 . 2]" 1
878 1 63 ASP HA 1 64 CYS HB3 4.200 2.400 6.000 4.781 4.625 5.010 . 0 0 "[ . 1 . 2]" 1
879 1 63 ASP HA 1 64 CYS HB2 4.200 2.400 6.000 4.417 4.261 4.613 . 0 0 "[ . 1 . 2]" 1
880 1 64 CYS HA 1 65 PRO HA 4.200 2.400 6.000 4.447 4.386 4.502 . 0 0 "[ . 1 . 2]" 1
881 1 64 CYS HA 1 65 PRO HD3 2.600 . 3.400 2.038 1.866 2.267 . 0 0 "[ . 1 . 2]" 1
882 1 64 CYS HA 1 65 PRO HD2 2.600 . 3.400 2.062 1.956 2.224 . 0 0 "[ . 1 . 2]" 1
883 1 63 ASP HB3 1 64 CYS HA 4.200 2.400 6.000 4.946 4.676 5.925 . 0 0 "[ . 1 . 2]" 1
884 1 63 ASP HB2 1 64 CYS HA 4.200 2.400 6.000 4.537 4.239 4.811 . 0 0 "[ . 1 . 2]" 1
885 1 64 CYS HA 1 65 PRO HB2 4.200 2.400 6.000 5.342 5.337 5.352 . 0 0 "[ . 1 . 2]" 1
886 1 64 CYS HA 1 65 PRO HB3 3.500 . 5.000 4.934 4.816 5.071 0.071 19 0 "[ . 1 . 2]" 1
887 1 64 CYS HA 1 65 PRO HG3 3.500 . 5.000 4.188 4.097 4.326 . 0 0 "[ . 1 . 2]" 1
888 1 64 CYS HA 1 65 PRO HG2 3.500 . 5.000 4.219 4.181 4.288 . 0 0 "[ . 1 . 2]" 1
889 1 63 ASP HB2 1 65 PRO HA 4.200 2.400 6.000 5.221 4.967 5.618 . 0 0 "[ . 1 . 2]" 1
890 1 67 TYR QD 1 68 HIS HA 4.100 2.300 8.400 4.438 2.624 5.464 . 0 0 "[ . 1 . 2]" 1
891 1 67 TYR QE 1 68 HIS HA 4.100 2.300 8.400 5.800 3.773 7.407 . 0 0 "[ . 1 . 2]" 1
892 1 8 SER H 1 11 ASN HD22 4.200 2.400 6.000 5.850 5.470 6.017 0.017 15 0 "[ . 1 . 2]" 1
893 1 8 SER HB2 1 11 ASN HD22 4.200 2.400 6.000 4.666 3.590 5.489 . 0 0 "[ . 1 . 2]" 1
894 1 8 SER HB2 1 11 ASN HD21 4.200 2.400 6.000 3.188 2.542 4.215 . 0 0 "[ . 1 . 2]" 1
895 1 8 SER H 1 11 ASN HD21 4.200 2.400 6.000 4.402 3.937 4.723 . 0 0 "[ . 1 . 2]" 1
896 1 11 ASN HD22 1 13 CYS HB2 4.200 2.400 6.000 4.323 3.126 5.063 . 0 0 "[ . 1 . 2]" 1
897 1 11 ASN HD22 1 13 CYS H 4.200 2.400 6.000 4.815 3.761 5.661 . 0 0 "[ . 1 . 2]" 1
898 1 11 ASN HD21 1 13 CYS HB2 4.200 2.400 6.000 5.155 4.056 5.960 . 0 0 "[ . 1 . 2]" 1
899 1 11 ASN HD21 1 13 CYS H 4.200 2.400 6.000 5.337 4.627 5.974 . 0 0 "[ . 1 . 2]" 1
900 1 34 GLU H 1 38 PHE QD 4.100 2.300 8.400 5.222 4.540 5.703 . 0 0 "[ . 1 . 2]" 1
901 1 37 LYS HA 1 38 PHE QD 4.100 2.300 8.400 4.420 3.403 4.659 . 0 0 "[ . 1 . 2]" 1
902 1 66 ARG HA 1 67 TYR QD 4.100 2.300 8.400 4.827 3.519 6.046 . 0 0 "[ . 1 . 2]" 1
903 1 67 TYR H 1 67 TYR QD 2.300 . 7.400 3.438 1.900 4.483 . 0 0 "[ . 1 . 2]" 1
904 1 67 TYR QD 1 68 HIS H 2.300 . 7.400 3.717 2.341 4.954 . 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 2.009 2.026 . 0 0 "[ . 1 . 2]" 2
2 1 6 CYS SG 1 14 CYS SG 2.020 . 2.120 2.020 2.015 2.026 . 0 0 "[ . 1 . 2]" 2
3 1 13 CYS SG 1 36 CYS SG 2.020 . 2.120 2.019 2.018 2.021 . 0 0 "[ . 1 . 2]" 2
4 1 27 CYS SG 1 33 CYS SG 2.020 . 2.120 2.018 2.007 2.022 . 0 0 "[ . 1 . 2]" 2
5 1 32 CYS SG 1 57 CYS SG 2.020 . 2.120 2.020 2.018 2.025 . 0 0 "[ . 1 . 2]" 2
6 1 45 CYS SG 1 64 CYS SG 2.020 . 2.120 2.019 2.014 2.022 . 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 71
_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 3 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 TYR 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 30 GLY H 1 30 GLY HA2 2.600 . 3.400 2.716 2.617 2.753 . 0 0 "[ . 1 . 2]" 3
2 1 42 GLY H 1 42 GLY HA3 2.600 . 3.400 2.926 2.891 2.983 . 0 0 "[ . 1 . 2]" 3
3 1 50 LEU H 1 50 LEU HA 2.600 . 3.400 2.900 2.702 2.988 . 0 0 "[ . 1 . 2]" 3
4 1 59 GLY H 1 59 GLY QA 2.600 . 3.400 2.309 2.264 2.356 . 0 0 "[ . 1 . 2]" 3
5 1 11 ASN H 1 11 ASN HA 2.600 . 3.400 2.921 2.768 2.991 . 0 0 "[ . 1 . 2]" 3
6 1 16 ALA H 1 16 ALA HA 2.600 . 3.400 2.874 2.815 2.926 . 0 0 "[ . 1 . 2]" 3
7 1 19 CYS H 1 19 CYS HA 2.600 . 3.400 2.357 2.342 2.369 . 0 0 "[ . 1 . 2]" 3
8 1 25 ALA H 1 25 ALA HA 2.600 . 3.400 2.979 2.935 2.994 . 0 0 "[ . 1 . 2]" 3
9 1 27 CYS H 1 27 CYS HA 2.600 . 3.400 2.959 2.945 2.966 . 0 0 "[ . 1 . 2]" 3
10 1 31 LEU HA 1 33 CYS H 4.200 2.400 6.000 4.331 3.674 4.926 . 0 0 "[ . 1 . 2]" 3
11 1 35 GLN H 1 35 GLN HA 2.600 . 3.400 2.345 2.323 2.352 . 0 0 "[ . 1 . 2]" 3
12 1 36 CYS H 1 36 CYS HA 2.600 . 3.400 2.347 2.337 2.358 . 0 0 "[ . 1 . 2]" 3
13 1 40 ARG H 1 40 ARG HA 2.600 . 3.400 2.936 2.749 2.991 . 0 0 "[ . 1 . 2]" 3
14 1 43 LYS H 1 43 LYS HA 2.600 . 3.400 2.945 2.898 2.983 . 0 0 "[ . 1 . 2]" 3
15 1 49 ARG H 1 49 ARG HA 2.600 . 3.400 2.946 2.856 2.994 . 0 0 "[ . 1 . 2]" 3
16 1 51 ASP H 1 51 ASP HA 2.600 . 3.400 2.733 2.354 2.976 . 0 0 "[ . 1 . 2]" 3
17 1 66 ARG H 1 66 ARG HA 2.600 . 3.400 2.971 2.919 2.994 . 0 0 "[ . 1 . 2]" 3
18 1 67 TYR H 1 67 TYR HA 2.600 . 3.400 2.947 2.884 2.993 . 0 0 "[ . 1 . 2]" 3
19 1 3 GLU HA 1 3 GLU HB3 2.600 . 3.400 2.741 2.399 3.035 . 0 0 "[ . 1 . 2]" 3
20 1 3 GLU HA 1 3 GLU HB2 2.600 . 3.400 2.726 2.398 3.033 . 0 0 "[ . 1 . 2]" 3
21 1 4 CYS HA 1 4 CYS HB3 2.600 . 3.400 2.700 2.411 3.033 . 0 0 "[ . 1 . 2]" 3
22 1 5 ASP HA 1 5 ASP QB 3.500 . 5.000 2.475 2.358 2.550 . 0 0 "[ . 1 . 2]" 3
23 1 6 CYS HA 1 6 CYS HB3 2.600 . 3.400 2.646 2.327 3.013 . 0 0 "[ . 1 . 2]" 3
24 1 7 SER HA 1 7 SER HB3 2.600 . 3.400 2.714 2.253 3.034 . 0 0 "[ . 1 . 2]" 3
25 1 7 SER HA 1 7 SER HB2 2.600 . 3.400 2.800 2.387 3.033 . 0 0 "[ . 1 . 2]" 3
26 1 8 SER HA 1 8 SER HB3 2.600 . 3.400 2.587 2.247 2.965 . 0 0 "[ . 1 . 2]" 3
27 1 8 SER HA 1 8 SER HB2 2.600 . 3.400 2.889 2.713 3.034 . 0 0 "[ . 1 . 2]" 3
28 1 9 PRO HA 1 9 PRO HB3 2.600 . 3.400 2.306 2.304 2.308 . 0 0 "[ . 1 . 2]" 3
29 1 10 GLU HA 1 10 GLU QB 2.600 . 3.400 2.419 2.192 2.548 . 0 0 "[ . 1 . 2]" 3
30 1 12 PRO HA 1 12 PRO HB3 2.600 . 3.400 2.305 2.298 2.308 . 0 0 "[ . 1 . 2]" 3
31 1 13 CYS HA 1 13 CYS HB3 2.600 . 3.400 2.658 2.337 2.961 . 0 0 "[ . 1 . 2]" 3
32 1 15 ASP HA 1 15 ASP HB3 2.600 . 3.400 2.692 2.368 2.876 . 0 0 "[ . 1 . 2]" 3
33 1 15 ASP HA 1 15 ASP HB2 2.600 . 3.400 2.965 2.843 3.037 . 0 0 "[ . 1 . 2]" 3
34 1 18 THR HA 1 18 THR HB 2.600 . 3.400 2.457 2.372 2.566 . 0 0 "[ . 1 . 2]" 3
35 1 19 CYS HA 1 19 CYS HB3 2.600 . 3.400 2.654 2.366 3.017 . 0 0 "[ . 1 . 2]" 3
36 1 19 CYS HA 1 19 CYS HB2 2.600 . 3.400 2.605 2.519 2.828 . 0 0 "[ . 1 . 2]" 3
37 1 20 LYS HA 1 20 LYS HB3 2.600 . 3.400 2.751 2.308 2.968 . 0 0 "[ . 1 . 2]" 3
38 1 23 PRO HA 1 23 PRO HB3 2.600 . 3.400 2.297 2.285 2.304 . 0 0 "[ . 1 . 2]" 3
39 1 23 PRO HA 1 23 PRO HB2 2.600 . 3.400 2.756 2.747 2.781 . 0 0 "[ . 1 . 2]" 3
40 1 26 GLN HA 1 26 GLN HB2 2.600 . 3.400 2.899 2.746 3.035 . 0 0 "[ . 1 . 2]" 3
41 1 27 CYS HA 1 27 CYS HB3 2.600 . 3.400 2.679 2.316 3.025 . 0 0 "[ . 1 . 2]" 3
42 1 27 CYS HA 1 27 CYS HB2 2.600 . 3.400 2.461 2.250 2.657 . 0 0 "[ . 1 . 2]" 3
43 1 31 LEU HA 1 31 LEU HB3 2.600 . 3.400 2.679 2.299 3.037 . 0 0 "[ . 1 . 2]" 3
44 1 31 LEU HA 1 31 LEU HB2 2.600 . 3.400 2.919 2.452 3.035 . 0 0 "[ . 1 . 2]" 3
45 1 34 GLU HA 1 34 GLU HB3 2.600 . 3.400 2.738 2.372 3.035 . 0 0 "[ . 1 . 2]" 3
46 1 34 GLU HA 1 34 GLU HB2 2.600 . 3.400 2.749 2.386 3.037 . 0 0 "[ . 1 . 2]" 3
47 1 39 SER HA 1 39 SER HB3 2.600 . 3.400 2.663 2.393 3.036 . 0 0 "[ . 1 . 2]" 3
48 1 39 SER HA 1 39 SER HB2 2.600 . 3.400 2.765 2.268 3.041 . 0 0 "[ . 1 . 2]" 3
49 1 40 ARG HA 1 40 ARG QB 2.600 . 3.400 2.430 2.189 2.546 . 0 0 "[ . 1 . 2]" 3
50 1 43 LYS HA 1 43 LYS QB 2.600 . 3.400 2.287 2.167 2.324 . 0 0 "[ . 1 . 2]" 3
51 1 44 ILE HA 1 44 ILE HB 2.600 . 3.400 2.990 2.356 3.029 . 0 0 "[ . 1 . 2]" 3
52 1 45 CYS HA 1 45 CYS HB3 2.600 . 3.400 2.362 2.296 2.411 . 0 0 "[ . 1 . 2]" 3
53 1 45 CYS HA 1 45 CYS HB2 2.600 . 3.400 2.587 2.502 2.665 . 0 0 "[ . 1 . 2]" 3
54 1 46 ARG HA 1 46 ARG QB 2.600 . 3.400 2.491 2.286 2.550 . 0 0 "[ . 1 . 2]" 3
55 1 47 ILE HA 1 47 ILE HB 2.600 . 3.400 2.711 2.404 2.990 . 0 0 "[ . 1 . 2]" 3
56 1 49 ARG HA 1 49 ARG HB3 2.600 . 3.400 2.841 2.496 3.036 . 0 0 "[ . 1 . 2]" 3
57 1 49 ARG HA 1 49 ARG HB2 2.600 . 3.400 2.798 2.473 3.018 . 0 0 "[ . 1 . 2]" 3
58 1 51 ASP HA 1 51 ASP HB3 2.600 . 3.400 2.888 2.314 3.041 . 0 0 "[ . 1 . 2]" 3
59 1 51 ASP HA 1 51 ASP HB2 2.600 . 3.400 2.693 2.378 3.035 . 0 0 "[ . 1 . 2]" 3
60 1 52 MET HA 1 52 MET QB 2.600 . 3.400 2.451 2.191 2.548 . 0 0 "[ . 1 . 2]" 3
61 1 54 ASP HA 1 54 ASP HB3 2.600 . 3.400 2.397 2.348 2.466 . 0 0 "[ . 1 . 2]" 3
62 1 54 ASP HA 1 54 ASP HB2 2.600 . 3.400 3.025 3.011 3.035 . 0 0 "[ . 1 . 2]" 3
63 1 55 ASP HA 1 55 ASP HB3 2.600 . 3.400 2.631 2.394 2.895 . 0 0 "[ . 1 . 2]" 3
64 1 55 ASP HA 1 55 ASP HB2 2.600 . 3.400 2.993 2.824 3.034 . 0 0 "[ . 1 . 2]" 3
65 1 56 ARG HA 1 56 ARG QB 2.600 . 3.400 2.392 2.201 2.547 . 0 0 "[ . 1 . 2]" 3
66 1 61 SER HA 1 61 SER HB2 2.600 . 3.400 2.726 2.276 3.032 . 0 0 "[ . 1 . 2]" 3
67 1 63 ASP HA 1 63 ASP HB3 2.600 . 3.400 2.378 2.266 2.465 . 0 0 "[ . 1 . 2]" 3
68 1 63 ASP HA 1 63 ASP HB2 2.600 . 3.400 2.979 2.477 3.037 . 0 0 "[ . 1 . 2]" 3
69 1 65 PRO HA 1 65 PRO HB2 2.600 . 3.400 2.737 2.734 2.739 . 0 0 "[ . 1 . 2]" 3
70 1 67 TYR HA 1 67 TYR HB3 2.600 . 3.400 2.810 2.458 3.032 . 0 0 "[ . 1 . 2]" 3
71 1 67 TYR HA 1 67 TYR HB2 2.600 . 3.400 2.604 2.366 2.993 . 0 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 9
_Distance_constraint_stats_list.Viol_count 53
_Distance_constraint_stats_list.Viol_total 60.994
_Distance_constraint_stats_list.Viol_max 0.181
_Distance_constraint_stats_list.Viol_rms 0.0345
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0169
_Distance_constraint_stats_list.Viol_average_violations_only 0.0575
_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 0.342 0.094 9 0 "[ . 1 . 2]"
1 15 ASP 1.612 0.181 18 0 "[ . 1 . 2]"
1 20 LYS 1.612 0.181 18 0 "[ . 1 . 2]"
1 22 ARG 0.342 0.094 9 0 "[ . 1 . 2]"
1 32 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 LYS 1.066 0.140 8 0 "[ . 1 . 2]"
1 45 CYS 0.030 0.017 12 0 "[ . 1 . 2]"
1 55 ASP 0.030 0.017 12 0 "[ . 1 . 2]"
1 57 CYS 1.066 0.140 8 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 13 CYS O 1 22 ARG H 2.000 . 2.500 2.381 1.919 2.594 0.094 9 0 "[ . 1 . 2]" 4
2 1 15 ASP H 1 20 LYS O 2.000 . 2.500 1.684 1.470 2.145 0.030 17 0 "[ . 1 . 2]" 4
3 1 15 ASP O 1 20 LYS H 2.000 . 2.500 2.569 2.348 2.681 0.181 18 0 "[ . 1 . 2]" 4
4 1 34 GLU H 1 37 LYS O 2.000 . 2.500 1.933 1.644 2.252 . 0 0 "[ . 1 . 2]" 4
5 1 34 GLU O 1 37 LYS H 2.000 . 2.500 2.070 1.821 2.279 . 0 0 "[ . 1 . 2]" 4
6 1 32 CYS O 1 39 SER H 2.000 . 2.500 1.973 1.513 2.414 . 0 0 "[ . 1 . 2]" 4
7 1 45 CYS H 1 55 ASP O 2.000 . 2.500 1.835 1.483 2.514 0.017 12 0 "[ . 1 . 2]" 4
8 1 43 LYS O 1 57 CYS H 2.000 . 2.500 1.579 1.478 1.643 0.022 8 0 "[ . 1 . 2]" 4
9 1 43 LYS H 1 57 CYS O 2.000 . 2.500 2.552 2.505 2.640 0.140 8 0 "[ . 1 . 2]" 4
stop_
save_
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