NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
379496 |
1hz8   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1hz8
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 700
_Distance_constraint_stats_list.Viol_count 3372
_Distance_constraint_stats_list.Viol_total 6845.573
_Distance_constraint_stats_list.Viol_max 0.273
_Distance_constraint_stats_list.Viol_rms 0.0327
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0109
_Distance_constraint_stats_list.Viol_average_violations_only 0.0677
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 THR 4.694 0.118 2 0 "[ . 1 . 2 . 3]"
1 3 ASN 6.381 0.162 26 0 "[ . 1 . 2 . 3]"
1 4 GLU 3.303 0.118 15 0 "[ . 1 . 2 . 3]"
1 5 CYS 9.024 0.177 26 0 "[ . 1 . 2 . 3]"
1 6 LEU 7.278 0.116 22 0 "[ . 1 . 2 . 3]"
1 7 ASP 7.532 0.123 26 0 "[ . 1 . 2 . 3]"
1 8 ASN 13.971 0.232 19 0 "[ . 1 . 2 . 3]"
1 9 ASN 1.464 0.089 15 0 "[ . 1 . 2 . 3]"
1 10 GLY 7.026 0.155 26 0 "[ . 1 . 2 . 3]"
1 11 GLY 3.162 0.131 6 0 "[ . 1 . 2 . 3]"
1 12 CYS 6.004 0.186 23 0 "[ . 1 . 2 . 3]"
1 13 SER 2.077 0.100 10 0 "[ . 1 . 2 . 3]"
1 14 HIS 8.243 0.145 28 0 "[ . 1 . 2 . 3]"
1 15 VAL 2.892 0.122 11 0 "[ . 1 . 2 . 3]"
1 16 CYS 1.779 0.086 19 0 "[ . 1 . 2 . 3]"
1 17 ASN 1.631 0.102 3 0 "[ . 1 . 2 . 3]"
1 18 ASP 0.033 0.008 13 0 "[ . 1 . 2 . 3]"
1 19 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 20 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 21 ILE 1.047 0.048 22 0 "[ . 1 . 2 . 3]"
1 22 GLY 5.673 0.213 6 0 "[ . 1 . 2 . 3]"
1 23 TYR 1.977 0.096 2 0 "[ . 1 . 2 . 3]"
1 24 GLU 8.562 0.244 6 0 "[ . 1 . 2 . 3]"
1 25 CYS 7.586 0.207 18 0 "[ . 1 . 2 . 3]"
1 26 LEU 4.835 0.122 2 0 "[ . 1 . 2 . 3]"
1 27 CYS 4.382 0.132 30 0 "[ . 1 . 2 . 3]"
1 28 PRO 2.939 0.197 26 0 "[ . 1 . 2 . 3]"
1 29 ASP 5.738 0.197 26 0 "[ . 1 . 2 . 3]"
1 30 GLY 3.238 0.144 13 0 "[ . 1 . 2 . 3]"
1 31 PHE 6.303 0.120 14 0 "[ . 1 . 2 . 3]"
1 32 GLN 3.375 0.155 23 0 "[ . 1 . 2 . 3]"
1 33 LEU 0.066 0.014 17 0 "[ . 1 . 2 . 3]"
1 34 VAL 1.007 0.123 5 0 "[ . 1 . 2 . 3]"
1 35 ALA 6.185 0.165 25 0 "[ . 1 . 2 . 3]"
1 36 GLN 0.911 0.094 28 0 "[ . 1 . 2 . 3]"
1 37 ARG 0.041 0.019 4 0 "[ . 1 . 2 . 3]"
1 38 ARG 1.429 0.126 19 0 "[ . 1 . 2 . 3]"
1 39 CYS 0.016 0.016 10 0 "[ . 1 . 2 . 3]"
1 40 GLU 0.693 0.149 17 0 "[ . 1 . 2 . 3]"
1 41 ASP 1.646 0.135 28 0 "[ . 1 . 2 . 3]"
1 42 ILE 5.443 0.210 17 0 "[ . 1 . 2 . 3]"
1 43 ASP 1.871 0.095 29 0 "[ . 1 . 2 . 3]"
1 44 GLU 4.282 0.161 17 0 "[ . 1 . 2 . 3]"
1 45 CYS 8.912 0.157 22 0 "[ . 1 . 2 . 3]"
1 46 GLN 4.953 0.111 28 0 "[ . 1 . 2 . 3]"
1 47 ASP 5.500 0.160 28 0 "[ . 1 . 2 . 3]"
1 48 PRO 0.162 0.065 28 0 "[ . 1 . 2 . 3]"
1 49 ASP 1.546 0.065 8 0 "[ . 1 . 2 . 3]"
1 50 THR 2.758 0.113 30 0 "[ . 1 . 2 . 3]"
1 51 CYS 4.921 0.133 9 0 "[ . 1 . 2 . 3]"
1 52 SER 3.468 0.137 8 0 "[ . 1 . 2 . 3]"
1 53 GLN 1.275 0.152 15 0 "[ . 1 . 2 . 3]"
1 54 LEU 2.072 0.152 15 0 "[ . 1 . 2 . 3]"
1 55 CYS 2.169 0.133 9 0 "[ . 1 . 2 . 3]"
1 56 VAL 0.531 0.193 20 0 "[ . 1 . 2 . 3]"
1 57 ASN 1.996 0.104 14 0 "[ . 1 . 2 . 3]"
1 58 LEU 5.418 0.139 28 0 "[ . 1 . 2 . 3]"
1 59 GLU 9.893 0.273 12 0 "[ . 1 . 2 . 3]"
1 60 GLY 3.127 0.232 23 0 "[ . 1 . 2 . 3]"
1 61 GLY 6.312 0.273 12 0 "[ . 1 . 2 . 3]"
1 62 TYR 0.521 0.232 23 0 "[ . 1 . 2 . 3]"
1 63 LYS 8.118 0.252 13 0 "[ . 1 . 2 . 3]"
1 64 CYS 8.805 0.245 6 0 "[ . 1 . 2 . 3]"
1 65 GLN 6.820 0.245 6 0 "[ . 1 . 2 . 3]"
1 66 CYS 12.652 0.257 17 0 "[ . 1 . 2 . 3]"
1 67 GLU 1.752 0.121 4 0 "[ . 1 . 2 . 3]"
1 68 GLU 0.945 0.058 23 0 "[ . 1 . 2 . 3]"
1 69 GLY 5.126 0.149 17 0 "[ . 1 . 2 . 3]"
1 70 PHE 7.389 0.149 17 0 "[ . 1 . 2 . 3]"
1 71 GLN 6.592 0.102 2 0 "[ . 1 . 2 . 3]"
1 72 LEU 3.679 0.089 26 0 "[ . 1 . 2 . 3]"
1 73 ASP 3.227 0.082 1 0 "[ . 1 . 2 . 3]"
1 74 PRO 0.756 0.049 13 0 "[ . 1 . 2 . 3]"
1 75 HIS 1.165 0.049 13 0 "[ . 1 . 2 . 3]"
1 76 THR 2.731 0.078 16 0 "[ . 1 . 2 . 3]"
1 77 LYS 9.193 0.234 26 0 "[ . 1 . 2 . 3]"
1 78 ALA 0.954 0.058 26 0 "[ . 1 . 2 . 3]"
1 79 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 80 LYS 2.473 0.137 8 0 "[ . 1 . 2 . 3]"
1 81 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 82 VAL 2.088 0.060 29 0 "[ . 1 . 2 . 3]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 THR H 1 2 THR HA 0.000 . 2.700 2.686 2.288 2.818 0.118 2 0 "[ . 1 . 2 . 3]" 1
2 1 2 THR H 1 2 THR HB 0.000 . 2.700 2.593 2.385 2.779 0.079 1 0 "[ . 1 . 2 . 3]" 1
3 1 2 THR HA 1 2 THR MG 0.000 . 3.700 2.974 2.437 3.230 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 2 THR HA 1 3 ASN H 0.000 . 2.700 2.431 2.273 2.799 0.099 27 0 "[ . 1 . 2 . 3]" 1
5 1 2 THR HB 1 3 ASN H 0.000 . 3.500 3.574 3.516 3.605 0.105 4 0 "[ . 1 . 2 . 3]" 1
6 1 2 THR MG 1 3 ASN H 0.000 . 6.000 2.660 1.771 3.339 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 2 THR MG 1 3 ASN HA 0.000 . 6.000 3.943 3.649 4.127 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 2 THR MG 1 3 ASN QB 0.000 . 6.300 4.057 3.028 4.646 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 2 THR MG 1 4 GLU H 0.000 . 3.700 2.452 1.858 2.807 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 2 THR MG 1 23 TYR QD 0.000 . 6.500 4.379 3.667 5.069 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 3 ASN H 1 3 ASN HB2 0.000 . 2.700 2.726 2.605 2.833 0.133 12 0 "[ . 1 . 2 . 3]" 1
12 1 3 ASN H 1 3 ASN HB3 0.000 . 2.700 2.507 2.347 2.648 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 3 ASN H 1 4 GLU H 0.000 . 5.000 3.215 2.591 3.743 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 3 ASN H 1 6 LEU HG 0.000 . 5.000 5.006 4.808 5.116 0.116 22 0 "[ . 1 . 2 . 3]" 1
15 1 3 ASN HA 1 4 GLU H 0.000 . 2.700 2.571 2.346 2.806 0.106 19 0 "[ . 1 . 2 . 3]" 1
16 1 3 ASN HA 1 5 CYS H 0.000 . 3.500 3.258 2.934 3.662 0.162 26 0 "[ . 1 . 2 . 3]" 1
17 1 3 ASN HB2 1 6 LEU MD1 0.000 . 6.000 3.193 2.383 3.875 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 3 ASN HB3 1 6 LEU MD1 0.000 . 6.000 2.948 2.063 4.006 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 4 GLU H 1 4 GLU HB2 0.000 . 3.500 3.132 2.317 3.618 0.118 15 0 "[ . 1 . 2 . 3]" 1
20 1 4 GLU H 1 4 GLU HB3 0.000 . 3.500 2.961 2.325 3.611 0.111 2 0 "[ . 1 . 2 . 3]" 1
21 1 4 GLU H 1 4 GLU HG2 0.000 . 5.000 3.555 1.945 4.475 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 4 GLU H 1 4 GLU HG3 0.000 . 5.000 2.883 1.841 4.449 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 4 GLU H 1 5 CYS H 0.000 . 2.700 2.491 2.091 2.738 0.038 17 0 "[ . 1 . 2 . 3]" 1
24 1 4 GLU HA 1 5 CYS H 0.000 . 3.500 3.378 3.199 3.531 0.031 26 0 "[ . 1 . 2 . 3]" 1
25 1 4 GLU QB 1 23 TYR QD 0.000 . 5.800 3.634 2.020 4.470 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 5 CYS H 1 5 CYS HA 0.000 . 2.700 2.832 2.791 2.877 0.177 26 0 "[ . 1 . 2 . 3]" 1
27 1 5 CYS H 1 5 CYS HB2 0.000 . 3.500 2.380 2.172 2.492 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 5 CYS H 1 5 CYS HB3 0.000 . 3.500 3.421 2.671 3.551 0.051 18 0 "[ . 1 . 2 . 3]" 1
29 1 5 CYS H 1 6 LEU H 0.000 . 2.700 2.353 2.224 2.512 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 5 CYS H 1 6 LEU QB 0.000 . 5.300 4.309 4.121 4.547 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 5 CYS H 1 6 LEU HG 0.000 . 3.500 3.547 3.512 3.600 0.100 12 0 "[ . 1 . 2 . 3]" 1
32 1 5 CYS H 1 6 LEU MD2 0.000 . 6.000 4.688 4.489 4.792 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 5 CYS H 1 7 ASP H 0.000 . 5.000 4.191 3.775 4.780 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 5 CYS HA 1 9 ASN HA 0.000 . 5.000 2.554 2.067 3.018 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 5 CYS HA 1 10 GLY H 0.000 . 3.500 3.440 2.882 3.563 0.063 12 0 "[ . 1 . 2 . 3]" 1
36 1 5 CYS HB2 1 6 LEU H 0.000 . 3.500 2.626 2.371 3.581 0.081 23 0 "[ . 1 . 2 . 3]" 1
37 1 5 CYS HB3 1 6 LEU H 0.000 . 3.500 3.416 2.492 3.577 0.077 2 0 "[ . 1 . 2 . 3]" 1
38 1 5 CYS QB 1 6 LEU MD1 0.000 . 7.000 4.645 4.440 4.879 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 5 CYS QB 1 6 LEU MD2 0.000 . 7.000 3.409 3.166 3.677 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 5 CYS QB 1 10 GLY H 0.000 . 6.000 5.333 4.856 5.445 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 5 CYS QB 1 16 CYS QB 0.000 . 5.500 3.326 2.609 3.653 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 6 LEU H 1 6 LEU HA 0.000 . 2.700 2.750 2.693 2.792 0.092 19 0 "[ . 1 . 2 . 3]" 1
43 1 6 LEU H 1 6 LEU HB2 0.000 . 3.500 2.541 2.460 2.641 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 6 LEU H 1 6 LEU HB3 0.000 . 3.500 3.540 3.522 3.564 0.064 1 0 "[ . 1 . 2 . 3]" 1
45 1 6 LEU H 1 6 LEU MD1 0.000 . 4.500 3.502 3.436 3.570 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 6 LEU H 1 6 LEU MD2 0.000 . 4.500 3.030 2.884 3.195 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 6 LEU HA 1 6 LEU MD1 0.000 . 4.500 3.832 3.818 3.840 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 6 LEU HA 1 6 LEU MD2 0.000 . 3.700 2.029 2.014 2.048 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 6 LEU HA 1 7 ASP H 0.000 . 3.500 3.496 3.464 3.522 0.022 1 0 "[ . 1 . 2 . 3]" 1
50 1 6 LEU HB2 1 7 ASP H 0.000 . 3.500 2.377 2.144 2.523 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 6 LEU HB3 1 7 ASP H 0.000 . 3.500 3.483 3.185 3.578 0.078 26 0 "[ . 1 . 2 . 3]" 1
52 1 7 ASP H 1 7 ASP HB2 0.000 . 2.700 2.712 2.655 2.747 0.047 15 0 "[ . 1 . 2 . 3]" 1
53 1 7 ASP H 1 7 ASP HB3 0.000 . 2.700 2.506 2.484 2.542 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 7 ASP H 1 8 ASN H 0.000 . 5.000 4.256 4.191 4.295 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 7 ASP H 1 10 GLY H 0.000 . 5.000 5.066 5.015 5.123 0.123 26 0 "[ . 1 . 2 . 3]" 1
56 1 7 ASP HA 1 8 ASN H 0.000 . 2.700 2.785 2.758 2.812 0.112 19 0 "[ . 1 . 2 . 3]" 1
57 1 7 ASP HB3 1 8 ASN H 0.000 . 2.700 2.747 2.726 2.766 0.066 5 0 "[ . 1 . 2 . 3]" 1
58 1 7 ASP HB3 1 10 GLY H 0.000 . 5.000 4.948 4.811 5.025 0.025 15 0 "[ . 1 . 2 . 3]" 1
59 1 8 ASN H 1 8 ASN HA 0.000 . 2.700 2.755 2.727 2.774 0.074 8 0 "[ . 1 . 2 . 3]" 1
60 1 8 ASN H 1 8 ASN HB2 0.000 . 3.500 2.419 2.327 2.495 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 8 ASN H 1 8 ASN HB3 0.000 . 3.500 3.555 3.538 3.569 0.069 20 0 "[ . 1 . 2 . 3]" 1
62 1 8 ASN H 1 8 ASN QD 0.000 . 5.300 3.021 1.459 4.052 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 8 ASN H 1 9 ASN H 0.000 . 5.000 4.455 4.243 4.709 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 8 ASN HA 1 8 ASN HB2 0.000 . 2.700 2.924 2.916 2.932 0.232 19 0 "[ . 1 . 2 . 3]" 1
65 1 8 ASN HA 1 8 ASN HB3 0.000 . 2.700 2.488 2.450 2.548 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 8 ASN HA 1 9 ASN H 0.000 . 3.500 2.197 2.135 2.375 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 8 ASN HB2 1 9 ASN H 0.000 . 5.000 4.244 4.201 4.296 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 8 ASN HB2 1 11 GLY H 0.000 . 5.000 3.471 3.119 3.810 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 8 ASN HB3 1 9 ASN H 0.000 . 5.000 3.591 3.390 3.842 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 8 ASN HB3 1 11 GLY H 0.000 . 5.000 3.397 3.231 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 9 ASN H 1 9 ASN HA 0.000 . 2.700 2.719 2.693 2.762 0.062 15 0 "[ . 1 . 2 . 3]" 1
72 1 9 ASN H 1 9 ASN HB2 0.000 . 3.500 2.373 2.127 2.538 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 9 ASN H 1 9 ASN HB3 0.000 . 3.500 2.840 2.501 3.589 0.089 15 0 "[ . 1 . 2 . 3]" 1
74 1 9 ASN H 1 10 GLY H 0.000 . 5.000 4.088 4.017 4.136 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 9 ASN H 1 13 SER QB 0.000 . 3.800 3.453 3.425 3.518 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 9 ASN HA 1 10 GLY H 0.000 . 3.500 2.272 2.162 2.330 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 9 ASN QB 1 10 GLY H 0.000 . 5.300 3.972 3.750 4.062 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 9 ASN HB2 1 12 CYS H 0.000 . 5.000 4.600 3.095 5.034 0.034 1 0 "[ . 1 . 2 . 3]" 1
79 1 9 ASN HB3 1 12 CYS H 0.000 . 5.000 3.633 3.199 4.461 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 9 ASN QD 1 12 CYS H 0.000 . 5.300 3.901 3.252 4.793 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 9 ASN QD 1 12 CYS QB 0.000 . 6.300 3.914 2.027 4.977 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 10 GLY H 1 10 GLY HA2 0.000 . 2.700 2.315 2.279 2.345 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 10 GLY H 1 10 GLY HA3 0.000 . 2.700 2.809 2.778 2.855 0.155 26 0 "[ . 1 . 2 . 3]" 1
84 1 10 GLY H 1 11 GLY H 0.000 . 2.700 2.740 2.622 2.781 0.081 6 0 "[ . 1 . 2 . 3]" 1
85 1 10 GLY H 1 12 CYS H 0.000 . 5.000 4.350 3.827 4.629 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 10 GLY HA2 1 11 GLY H 0.000 . 5.000 3.225 3.080 3.387 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 10 GLY HA2 1 12 CYS H 0.000 . 5.000 4.821 4.604 4.947 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 10 GLY HA2 1 23 TYR QD 0.000 . 5.500 3.972 3.138 4.661 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 10 GLY HA3 1 11 GLY H 0.000 . 5.000 3.249 3.073 3.372 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 10 GLY HA3 1 12 CYS H 0.000 . 5.000 4.109 3.689 4.317 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 10 GLY HA3 1 23 TYR QD 0.000 . 5.500 4.504 3.371 5.273 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 10 GLY QA 1 12 CYS H 0.000 . 4.500 3.891 3.549 4.038 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 11 GLY H 1 11 GLY HA2 0.000 . 2.700 2.613 2.554 2.686 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 11 GLY H 1 12 CYS H 0.000 . 2.700 2.129 1.488 2.502 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 11 GLY H 1 12 CYS HB3 0.000 . 5.000 5.055 5.008 5.131 0.131 6 0 "[ . 1 . 2 . 3]" 1
96 1 11 GLY HA2 1 12 CYS H 0.000 . 3.500 3.409 3.075 3.526 0.026 18 0 "[ . 1 . 2 . 3]" 1
97 1 11 GLY HA3 1 12 CYS H 0.000 . 3.500 3.003 2.791 3.466 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 12 CYS H 1 12 CYS HB2 0.000 . 3.500 3.224 2.287 3.660 0.160 15 0 "[ . 1 . 2 . 3]" 1
99 1 12 CYS H 1 12 CYS HB3 0.000 . 3.500 2.979 2.554 3.686 0.186 23 0 "[ . 1 . 2 . 3]" 1
100 1 12 CYS H 1 13 SER H 0.000 . 5.000 3.939 3.657 4.118 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 12 CYS HA 1 13 SER H 0.000 . 3.500 3.092 2.910 3.198 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 12 CYS HB2 1 13 SER H 0.000 . 5.000 2.114 1.851 2.868 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 12 CYS HB3 1 13 SER H 0.000 . 5.000 2.792 1.693 3.408 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 12 CYS HB2 1 14 HIS H 0.000 . 3.500 3.347 2.801 3.563 0.063 18 0 "[ . 1 . 2 . 3]" 1
105 1 13 SER H 1 14 HIS H 0.000 . 3.500 2.037 1.722 2.295 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 13 SER HA 1 14 HIS H 0.000 . 2.700 2.769 2.730 2.800 0.100 10 0 "[ . 1 . 2 . 3]" 1
107 1 14 HIS H 1 14 HIS HB2 0.000 . 3.500 2.443 2.377 2.493 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 14 HIS H 1 14 HIS HB3 0.000 . 3.500 3.621 3.579 3.645 0.145 28 0 "[ . 1 . 2 . 3]" 1
109 1 14 HIS H 1 15 VAL H 0.000 . 3.500 3.411 2.700 3.620 0.120 18 0 "[ . 1 . 2 . 3]" 1
110 1 14 HIS HA 1 14 HIS HD1 0.000 . 5.000 4.159 2.245 4.710 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 14 HIS HA 1 15 VAL H 0.000 . 3.500 3.349 3.246 3.520 0.020 19 0 "[ . 1 . 2 . 3]" 1
112 1 14 HIS HB2 1 14 HIS HD1 0.000 . 3.500 2.686 2.439 3.533 0.033 13 0 "[ . 1 . 2 . 3]" 1
113 1 14 HIS HB2 1 15 VAL H 0.000 . 2.700 2.015 1.817 2.170 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 14 HIS HB2 1 15 VAL QG 0.000 . 7.400 3.624 3.216 4.029 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 14 HIS HB3 1 14 HIS HD1 0.000 . 3.500 3.314 2.467 3.634 0.134 18 0 "[ . 1 . 2 . 3]" 1
116 1 14 HIS HB3 1 15 VAL H 0.000 . 2.700 2.180 1.855 2.713 0.013 23 0 "[ . 1 . 2 . 3]" 1
117 1 14 HIS HB3 1 15 VAL QG 0.000 . 7.400 3.020 2.725 3.330 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 14 HIS QB 1 27 CYS HA 0.000 . 5.300 3.411 2.644 3.893 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 15 VAL H 1 15 VAL HB 0.000 . 2.700 2.694 2.494 2.822 0.122 11 0 "[ . 1 . 2 . 3]" 1
120 1 15 VAL H 1 26 LEU QB 0.000 . 5.300 4.418 4.172 4.573 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 15 VAL H 1 27 CYS HA 0.000 . 5.000 4.665 4.010 5.027 0.027 13 0 "[ . 1 . 2 . 3]" 1
122 1 15 VAL HA 1 16 CYS H 0.000 . 2.700 2.139 2.062 2.202 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 15 VAL QG 1 16 CYS H 0.000 . 5.100 2.935 2.459 3.132 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 15 VAL QG 1 17 ASN HB2 0.000 . 5.100 2.534 2.098 3.124 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 15 VAL QG 1 17 ASN HB3 0.000 . 5.100 3.403 2.999 3.766 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 15 VAL QG 1 26 LEU HA 0.000 . 5.900 3.895 3.610 4.320 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 16 CYS H 1 16 CYS HB3 0.000 . 3.500 2.656 2.502 2.820 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 16 CYS H 1 16 CYS HB2 0.000 . 3.500 3.557 3.533 3.586 0.086 19 0 "[ . 1 . 2 . 3]" 1
129 1 16 CYS HA 1 17 ASN H 0.000 . 2.700 2.281 2.144 2.430 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 16 CYS HA 1 25 CYS HA 0.000 . 5.000 3.757 3.322 4.244 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 16 CYS HA 1 26 LEU H 0.000 . 5.000 4.696 4.321 5.058 0.058 2 0 "[ . 1 . 2 . 3]" 1
132 1 16 CYS HB3 1 17 ASN H 0.000 . 5.000 4.585 4.506 4.705 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 17 ASN H 1 17 ASN HB2 0.000 . 3.500 2.844 2.597 2.954 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 17 ASN H 1 17 ASN HB3 0.000 . 3.500 2.239 2.043 2.370 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 17 ASN H 1 23 TYR QD 0.000 . 7.000 6.115 5.686 6.492 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 17 ASN H 1 24 GLU H 0.000 . 3.500 3.444 3.173 3.602 0.102 3 0 "[ . 1 . 2 . 3]" 1
137 1 17 ASN H 1 24 GLU QG 0.000 . 5.300 4.702 3.764 4.873 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 17 ASN H 1 25 CYS HA 0.000 . 5.000 3.662 3.265 4.172 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 17 ASN H 1 26 LEU H 0.000 . 5.000 3.510 3.269 4.033 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 17 ASN H 1 26 LEU MD1 0.000 . 6.000 4.293 3.416 4.889 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 17 ASN HA 1 18 ASP H 0.000 . 2.700 2.036 1.966 2.188 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 17 ASN HA 1 18 ASP HB2 0.000 . 5.000 4.409 4.237 4.620 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 17 ASN HA 1 18 ASP HB3 0.000 . 5.000 4.417 4.258 4.700 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 17 ASN HB2 1 18 ASP H 0.000 . 5.000 4.264 4.197 4.353 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 17 ASN HB3 1 24 GLU HA 0.000 . 5.000 4.512 3.879 4.852 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 17 ASN HD21 1 24 GLU H 0.000 . 5.000 3.936 3.302 4.853 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 17 ASN HD21 1 26 LEU MD1 0.000 . 3.700 2.433 1.649 2.712 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 17 ASN HD22 1 24 GLU H 0.000 . 5.000 5.016 4.625 5.077 0.077 13 0 "[ . 1 . 2 . 3]" 1
149 1 17 ASN HD22 1 26 LEU MD1 0.000 . 3.700 2.741 2.665 2.956 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 18 ASP H 1 18 ASP HB2 0.000 . 2.700 2.420 2.241 2.633 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 18 ASP H 1 18 ASP HB3 0.000 . 2.700 2.613 2.527 2.708 0.008 13 0 "[ . 1 . 2 . 3]" 1
152 1 18 ASP H 1 19 LEU H 0.000 . 5.000 4.051 3.738 4.204 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 18 ASP H 1 26 LEU QD 0.000 . 7.400 5.369 5.141 5.465 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 18 ASP HA 1 19 LEU H 0.000 . 2.700 2.174 2.028 2.446 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 18 ASP HA 1 19 LEU QB 0.000 . 5.300 3.921 3.744 4.167 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 18 ASP HA 1 23 TYR HB2 0.000 . 5.000 4.340 3.902 5.006 0.006 26 0 "[ . 1 . 2 . 3]" 1
157 1 18 ASP HA 1 23 TYR HB3 0.000 . 5.000 2.684 2.282 3.454 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 18 ASP HA 1 23 TYR QD 0.000 . 5.500 2.237 1.974 3.113 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 19 LEU H 1 19 LEU HB2 0.000 . 2.700 2.176 2.116 2.234 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 19 LEU H 1 19 LEU HB3 0.000 . 2.700 2.535 2.480 2.611 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 19 LEU H 1 19 LEU MD1 0.000 . 4.500 3.780 3.757 3.802 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 19 LEU H 1 20 LYS H 0.000 . 5.000 4.582 4.541 4.641 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 19 LEU H 1 23 TYR HA 0.000 . 2.700 1.848 1.679 2.286 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 19 LEU H 1 23 TYR HB2 0.000 . 5.000 4.306 4.121 4.612 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 19 LEU H 1 23 TYR HB3 0.000 . 3.500 2.995 2.828 3.278 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 19 LEU H 1 23 TYR QD 0.000 . 7.000 2.001 1.811 2.297 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 19 LEU H 1 24 GLU H 0.000 . 3.500 2.913 2.595 3.366 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 19 LEU HA 1 20 LYS H 0.000 . 2.700 2.544 2.418 2.617 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 19 LEU HA 1 21 ILE H 0.000 . 5.000 4.515 4.436 4.607 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 19 LEU HB2 1 23 TYR HA 0.000 . 3.500 2.071 2.016 2.140 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 19 LEU HB2 1 23 TYR QD 0.000 . 4.700 3.613 3.189 4.000 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 19 LEU HB2 1 23 TYR QE 0.000 . 7.000 5.477 5.241 5.628 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 19 LEU HB2 1 24 GLU H 0.000 . 5.000 3.098 2.894 3.526 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 19 LEU HB3 1 23 TYR HA 0.000 . 2.500 2.202 2.098 2.445 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 19 LEU HB3 1 23 TYR QD 0.000 . 4.700 2.954 2.059 3.457 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 19 LEU HB3 1 23 TYR QE 0.000 . 7.000 4.351 3.949 4.575 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 19 LEU QB 1 20 LYS H 0.000 . 3.800 3.156 3.050 3.326 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 19 LEU QB 1 23 TYR H 0.000 . 5.300 2.956 2.850 3.177 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 19 LEU MD1 1 24 GLU H 0.000 . 6.000 4.524 4.275 4.828 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 19 LEU MD2 1 23 TYR H 0.000 . 4.500 3.592 3.566 3.624 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 19 LEU MD2 1 24 GLU H 0.000 . 6.000 4.301 3.914 4.642 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 19 LEU QD 1 20 LYS H 0.000 . 5.900 2.585 2.446 2.668 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 19 LEU QD 1 21 ILE H 0.000 . 5.900 3.010 2.960 3.052 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 19 LEU QD 1 23 TYR HA 0.000 . 5.900 3.188 2.949 3.319 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 20 LYS H 1 20 LYS QB 0.000 . 3.000 2.559 2.538 2.577 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 20 LYS H 1 20 LYS HG2 0.000 . 3.500 2.006 1.952 2.067 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 20 LYS H 1 20 LYS HG3 0.000 . 3.500 3.227 3.146 3.280 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 20 LYS H 1 21 ILE H 0.000 . 2.700 2.469 2.366 2.609 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 20 LYS HA 1 21 ILE H 0.000 . 5.000 3.541 3.529 3.551 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 20 LYS QG 1 21 ILE H 0.000 . 3.000 1.915 1.832 1.959 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 21 ILE H 1 21 ILE HB 0.000 . 2.700 2.735 2.728 2.748 0.048 22 0 "[ . 1 . 2 . 3]" 1
192 1 21 ILE H 1 21 ILE MG 0.000 . 4.500 3.860 3.855 3.864 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 21 ILE H 1 21 ILE HG12 0.000 . 5.000 4.159 4.130 4.180 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 21 ILE H 1 21 ILE HG13 0.000 . 3.500 3.187 3.133 3.227 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 21 ILE HA 1 22 GLY H 0.000 . 2.700 2.207 2.183 2.234 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 21 ILE HA 1 23 TYR QD 0.000 . 5.500 4.930 4.054 5.229 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 21 ILE HA 1 23 TYR QE 0.000 . 4.700 4.215 3.250 4.597 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 21 ILE MG 1 22 GLY H 0.000 . 4.500 3.101 2.860 3.271 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 22 GLY H 1 22 GLY HA2 0.000 . 2.700 2.352 2.305 2.415 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 22 GLY H 1 22 GLY HA3 0.000 . 2.700 2.889 2.848 2.913 0.213 6 0 "[ . 1 . 2 . 3]" 1
201 1 22 GLY H 1 23 TYR H 0.000 . 3.500 2.305 2.150 2.591 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 22 GLY HA2 1 23 TYR H 0.000 . 3.500 2.561 2.472 2.649 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 22 GLY HA2 1 23 TYR QD 0.000 . 7.000 4.345 3.819 4.750 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 22 GLY HA3 1 23 TYR H 0.000 . 3.500 3.436 3.416 3.460 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 22 GLY HA3 1 23 TYR QD 0.000 . 7.000 5.389 5.012 5.534 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 23 TYR H 1 23 TYR QD 0.000 . 5.500 2.684 2.348 2.855 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 23 TYR HA 1 24 GLU H 0.000 . 2.700 2.291 2.225 2.400 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 23 TYR HB2 1 24 GLU H 0.000 . 3.500 3.565 3.492 3.596 0.096 2 0 "[ . 1 . 2 . 3]" 1
209 1 23 TYR HB3 1 24 GLU H 0.000 . 3.500 2.638 2.455 2.773 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 23 TYR QB 1 24 GLU H 0.000 . 3.020 2.571 2.413 2.679 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 23 TYR QD 1 24 GLU H 0.000 . 4.700 4.061 3.794 4.369 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 24 GLU H 1 24 GLU HB2 0.000 . 3.500 2.669 2.355 3.744 0.244 6 0 "[ . 1 . 2 . 3]" 1
213 1 24 GLU H 1 24 GLU HB3 0.000 . 3.500 3.513 2.642 3.698 0.198 2 0 "[ . 1 . 2 . 3]" 1
214 1 24 GLU H 1 25 CYS H 0.000 . 5.000 4.418 4.301 4.479 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 24 GLU HA 1 25 CYS H 0.000 . 2.700 2.147 1.978 2.294 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 24 GLU HB2 1 25 CYS H 0.000 . 3.500 3.406 2.021 3.586 0.086 21 0 "[ . 1 . 2 . 3]" 1
217 1 24 GLU HB3 1 25 CYS H 0.000 . 3.500 2.575 2.130 3.549 0.049 22 0 "[ . 1 . 2 . 3]" 1
218 1 24 GLU QG 1 25 CYS H 0.000 . 6.000 3.661 1.780 4.280 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 25 CYS H 1 25 CYS HA 0.000 . 2.700 2.894 2.856 2.907 0.207 18 0 "[ . 1 . 2 . 3]" 1
220 1 25 CYS H 1 25 CYS HB2 0.000 . 3.500 2.866 2.357 3.318 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 25 CYS H 1 25 CYS HB3 0.000 . 3.500 2.820 2.261 3.602 0.102 5 0 "[ . 1 . 2 . 3]" 1
222 1 25 CYS HA 1 26 LEU H 0.000 . 2.700 2.441 2.257 2.660 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 25 CYS HB2 1 26 LEU H 0.000 . 5.000 4.606 4.449 4.746 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 25 CYS HB3 1 26 LEU H 0.000 . 5.000 4.422 4.177 4.533 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 25 CYS HB3 1 33 LEU QD 0.000 . 5.100 3.578 2.992 3.850 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 26 LEU H 1 26 LEU HB2 0.000 . 3.500 2.680 2.500 2.842 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 26 LEU H 1 26 LEU HB3 0.000 . 3.500 3.590 3.573 3.622 0.122 2 0 "[ . 1 . 2 . 3]" 1
228 1 26 LEU H 1 26 LEU HG 0.000 . 5.000 2.234 1.916 3.859 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 26 LEU H 1 27 CYS H 0.000 . 5.000 4.400 4.277 4.503 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 26 LEU HA 1 27 CYS H 0.000 . 2.700 2.647 2.479 2.748 0.048 2 0 "[ . 1 . 2 . 3]" 1
231 1 26 LEU HB2 1 27 CYS H 0.000 . 2.700 2.754 2.562 2.804 0.104 17 0 "[ . 1 . 2 . 3]" 1
232 1 26 LEU HB3 1 27 CYS H 0.000 . 2.700 2.000 1.699 2.227 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 26 LEU HG 1 27 CYS H 0.000 . 5.000 4.603 3.892 4.777 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 26 LEU QD 1 27 CYS H 0.000 . 5.100 3.497 3.284 3.696 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 27 CYS H 1 27 CYS HB2 0.000 . 2.700 2.364 2.302 2.439 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 27 CYS H 1 27 CYS HB3 0.000 . 3.500 3.576 3.550 3.632 0.132 30 0 "[ . 1 . 2 . 3]" 1
237 1 27 CYS H 1 33 LEU MD1 0.000 . 4.500 3.501 3.419 3.669 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 27 CYS HA 1 28 PRO HD2 0.000 . 3.500 2.508 2.194 3.014 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 27 CYS HA 1 28 PRO HD3 0.000 . 3.500 2.098 1.912 2.300 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 28 PRO HA 1 29 ASP H 0.000 . 3.500 3.488 3.402 3.527 0.027 4 0 "[ . 1 . 2 . 3]" 1
241 1 28 PRO HB2 1 29 ASP H 0.000 . 3.500 2.415 2.052 3.042 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 28 PRO HB3 1 29 ASP H 0.000 . 3.500 3.591 3.522 3.697 0.197 26 0 "[ . 1 . 2 . 3]" 1
243 1 29 ASP H 1 29 ASP HB2 0.000 . 3.500 3.583 3.551 3.603 0.103 10 0 "[ . 1 . 2 . 3]" 1
244 1 29 ASP H 1 29 ASP HB3 0.000 . 3.500 2.624 2.549 2.727 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 29 ASP H 1 30 GLY H 0.000 . 5.000 4.397 4.150 4.514 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 29 ASP HA 1 30 GLY H 0.000 . 3.500 2.651 2.331 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 29 ASP HA 1 31 PHE H 0.000 . 5.000 4.621 4.370 5.019 0.019 2 0 "[ . 1 . 2 . 3]" 1
248 1 29 ASP HB2 1 30 GLY H 0.000 . 3.500 1.992 1.831 2.165 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 29 ASP HB3 1 30 GLY H 0.000 . 3.500 3.486 3.365 3.534 0.034 21 0 "[ . 1 . 2 . 3]" 1
250 1 29 ASP QB 1 31 PHE H 0.000 . 5.300 3.455 3.047 3.911 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 30 GLY H 1 30 GLY HA2 0.000 . 2.700 2.774 2.721 2.844 0.144 13 0 "[ . 1 . 2 . 3]" 1
252 1 30 GLY H 1 30 GLY HA3 0.000 . 2.700 2.287 2.269 2.319 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 30 GLY H 1 31 PHE H 0.000 . 3.500 2.951 2.674 3.111 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 30 GLY HA2 1 31 PHE H 0.000 . 3.500 3.502 3.414 3.587 0.087 22 0 "[ . 1 . 2 . 3]" 1
255 1 30 GLY HA3 1 31 PHE H 0.000 . 3.500 3.082 2.745 3.316 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 31 PHE H 1 31 PHE QD 0.000 . 4.700 2.552 2.176 2.955 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 31 PHE H 1 31 PHE HB2 0.000 . 3.500 2.437 2.325 2.559 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 31 PHE H 1 31 PHE HB3 0.000 . 3.500 3.541 3.502 3.581 0.081 30 0 "[ . 1 . 2 . 3]" 1
259 1 31 PHE H 1 32 GLN H 0.000 . 5.000 4.594 4.516 4.654 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 31 PHE H 1 59 GLU QG 0.000 . 5.300 4.708 4.364 4.929 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 31 PHE HA 1 32 GLN H 0.000 . 2.700 2.355 2.155 2.714 0.014 13 0 "[ . 1 . 2 . 3]" 1
262 1 31 PHE HA 1 41 ASP HA 0.000 . 3.500 3.154 2.650 3.536 0.036 23 0 "[ . 1 . 2 . 3]" 1
263 1 31 PHE HA 1 42 ILE H 0.000 . 5.000 5.015 4.552 5.108 0.108 10 0 "[ . 1 . 2 . 3]" 1
264 1 31 PHE HB2 1 32 GLN H 0.000 . 3.500 3.533 2.999 3.610 0.110 30 0 "[ . 1 . 2 . 3]" 1
265 1 31 PHE HB3 1 32 GLN H 0.000 . 3.500 2.284 1.993 2.663 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 31 PHE QD 1 32 GLN H 0.000 . 5.500 3.850 3.316 4.131 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 31 PHE QD 1 39 CYS HA 0.000 . 7.000 5.265 3.951 6.292 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 31 PHE QD 1 40 GLU HA 0.000 . 5.500 2.750 1.921 3.676 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 31 PHE QD 1 40 GLU QG 0.000 . 5.100 3.939 3.117 4.519 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 31 PHE QD 1 59 GLU HA 0.000 . 7.000 4.316 3.545 4.889 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 31 PHE QD 1 59 GLU QG 0.000 . 6.000 3.289 2.476 3.794 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 31 PHE QD 1 60 GLY H 0.000 . 7.000 4.825 4.088 5.428 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 31 PHE QE 1 32 GLN H 0.000 . 7.000 5.778 5.586 5.935 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 31 PHE QE 1 40 GLU HA 0.000 . 7.000 4.051 3.041 5.099 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 31 PHE QE 1 41 ASP H 0.000 . 7.000 3.628 3.121 4.777 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 31 PHE QE 1 59 GLU HA 0.000 . 7.000 2.616 1.960 3.537 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 31 PHE QE 1 59 GLU QB 0.000 . 7.300 3.214 2.166 4.086 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 31 PHE QE 1 59 GLU QG 0.000 . 5.000 2.393 2.126 2.871 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 31 PHE QE 1 60 GLY H 0.000 . 5.500 2.901 2.259 3.679 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 31 PHE QE 1 60 GLY QA 0.000 . 5.800 3.328 2.382 3.940 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 31 PHE QE 1 61 GLY H 0.000 . 7.000 5.025 4.514 5.526 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 31 PHE HZ 1 59 GLU HA 0.000 . 5.000 2.466 1.823 3.998 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 31 PHE HZ 1 59 GLU HB3 0.000 . 5.000 3.643 2.237 4.553 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 31 PHE HZ 1 59 GLU HB2 0.000 . 5.000 3.389 2.364 5.098 0.098 22 0 "[ . 1 . 2 . 3]" 1
285 1 31 PHE HZ 1 59 GLU QG 0.000 . 3.800 2.804 2.082 3.500 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 31 PHE HZ 1 60 GLY H 0.000 . 3.500 3.442 2.256 3.620 0.120 14 0 "[ . 1 . 2 . 3]" 1
287 1 31 PHE HZ 1 60 GLY QA 0.000 . 5.300 4.053 2.165 4.944 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 32 GLN H 1 32 GLN HB2 0.000 . 3.500 2.716 2.360 3.645 0.145 9 0 "[ . 1 . 2 . 3]" 1
289 1 32 GLN H 1 32 GLN HB3 0.000 . 3.500 3.072 2.485 3.655 0.155 23 0 "[ . 1 . 2 . 3]" 1
290 1 32 GLN H 1 32 GLN HG3 0.000 . 5.000 3.985 2.478 4.878 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 32 GLN H 1 32 GLN HG2 0.000 . 5.000 4.044 2.477 4.855 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 32 GLN H 1 39 CYS HA 0.000 . 5.000 4.535 4.079 5.016 0.016 10 0 "[ . 1 . 2 . 3]" 1
293 1 32 GLN HA 1 33 LEU H 0.000 . 2.700 2.204 1.996 2.343 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 32 GLN QB 1 33 LEU H 0.000 . 3.800 3.299 2.630 3.533 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 33 LEU H 1 33 LEU HB2 0.000 . 2.700 2.506 2.333 2.600 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 33 LEU H 1 33 LEU HB3 0.000 . 2.700 2.648 2.341 2.714 0.014 17 0 "[ . 1 . 2 . 3]" 1
297 1 33 LEU H 1 33 LEU HG 0.000 . 5.000 4.528 4.438 4.577 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 33 LEU HA 1 33 LEU HG 0.000 . 3.500 2.737 2.500 2.911 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 33 LEU HA 1 34 VAL H 0.000 . 3.500 2.292 2.022 2.649 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 33 LEU HA 1 40 GLU H 0.000 . 5.000 3.640 3.025 3.976 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 33 LEU HA 1 39 CYS H 0.000 . 5.000 4.440 3.921 4.970 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 33 LEU HG 1 34 VAL H 0.000 . 5.000 3.805 2.367 4.433 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 33 LEU HG 1 36 GLN H 0.000 . 5.000 4.009 2.804 4.888 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 33 LEU HG 1 38 ARG H 0.000 . 5.000 4.208 3.352 4.601 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 33 LEU MD1 1 34 VAL H 0.000 . 6.000 3.885 2.553 5.095 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 33 LEU MD1 1 37 ARG H 0.000 . 6.000 3.936 2.802 4.329 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 33 LEU MD1 1 37 ARG HA 0.000 . 6.000 2.289 1.880 2.893 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 33 LEU MD1 1 38 ARG H 0.000 . 6.000 3.638 3.193 4.931 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 33 LEU MD1 1 39 CYS HA 0.000 . 6.000 3.133 2.492 4.842 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 33 LEU MD2 1 36 GLN H 0.000 . 6.000 4.419 2.535 4.964 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 33 LEU MD2 1 37 ARG H 0.000 . 6.000 4.309 2.269 4.889 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 33 LEU MD2 1 38 ARG H 0.000 . 6.000 4.813 4.027 5.005 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 33 LEU QD 1 37 ARG QB 0.000 . 5.800 3.620 3.170 3.816 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 34 VAL H 1 34 VAL HB 0.000 . 3.500 2.820 2.425 3.623 0.123 5 0 "[ . 1 . 2 . 3]" 1
315 1 34 VAL HA 1 34 VAL MG1 0.000 . 3.700 2.757 2.229 3.230 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 34 VAL HA 1 34 VAL MG2 0.000 . 3.700 2.511 2.342 3.233 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 34 VAL HA 1 35 ALA H 0.000 . 3.500 3.520 3.460 3.568 0.068 3 0 "[ . 1 . 2 . 3]" 1
318 1 34 VAL HA 1 36 GLN H 0.000 . 5.000 3.909 3.455 4.382 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 34 VAL HB 1 35 ALA H 0.000 . 5.000 3.039 1.844 4.003 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 34 VAL QG 1 35 ALA H 0.000 . 5.900 2.282 1.672 3.151 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 34 VAL QG 1 35 ALA HA 0.000 . 7.400 3.286 3.062 4.102 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 35 ALA H 1 35 ALA HA 0.000 . 2.700 2.852 2.836 2.865 0.165 25 0 "[ . 1 . 2 . 3]" 1
323 1 35 ALA H 1 36 GLN H 0.000 . 3.500 3.374 3.014 3.594 0.094 28 0 "[ . 1 . 2 . 3]" 1
324 1 35 ALA HA 1 36 GLN H 0.000 . 2.700 2.595 2.308 2.776 0.076 9 0 "[ . 1 . 2 . 3]" 1
325 1 35 ALA HA 1 37 ARG H 0.000 . 5.000 4.704 4.167 5.019 0.019 4 0 "[ . 1 . 2 . 3]" 1
326 1 35 ALA MB 1 36 GLN H 0.000 . 4.500 3.673 3.571 3.722 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 35 ALA MB 1 37 ARG H 0.000 . 6.000 3.760 3.004 4.146 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 36 GLN H 1 36 GLN HA 0.000 . 2.700 2.301 2.267 2.330 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 36 GLN H 1 36 GLN QG 0.000 . 3.800 2.777 2.544 3.293 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 36 GLN H 1 37 ARG H 0.000 . 5.000 3.645 2.847 4.043 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 36 GLN HA 1 37 ARG H 0.000 . 5.000 3.463 3.102 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 36 GLN QB 1 37 ARG QD 0.000 . 4.800 3.061 1.950 4.021 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 37 ARG H 1 37 ARG QB 0.000 . 3.800 2.713 2.488 3.258 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 37 ARG H 1 38 ARG H 0.000 . 2.700 1.942 1.634 2.571 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 37 ARG HA 1 37 ARG QD 0.000 . 3.800 2.604 1.985 3.564 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 37 ARG HA 1 38 ARG H 0.000 . 5.000 3.333 2.975 3.547 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 37 ARG HB2 1 37 ARG QD 0.000 . 3.800 2.912 2.255 3.500 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 37 ARG HB3 1 37 ARG QD 0.000 . 3.800 3.018 2.393 3.455 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 38 ARG H 1 38 ARG HB2 0.000 . 3.500 2.664 2.270 3.626 0.126 19 0 "[ . 1 . 2 . 3]" 1
340 1 38 ARG H 1 38 ARG HB3 0.000 . 3.500 3.019 2.406 3.609 0.109 3 0 "[ . 1 . 2 . 3]" 1
341 1 38 ARG HA 1 39 CYS H 0.000 . 2.700 2.152 2.050 2.681 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 38 ARG HB2 1 38 ARG QD 0.000 . 3.800 2.717 2.392 3.494 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 38 ARG HB3 1 38 ARG QD 0.000 . 3.800 2.802 2.384 3.530 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 38 ARG HB2 1 39 CYS H 0.000 . 5.000 4.199 2.844 4.577 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 38 ARG HB3 1 39 CYS H 0.000 . 5.000 3.893 3.063 4.425 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 39 CYS HA 1 40 GLU H 0.000 . 2.700 2.157 2.043 2.536 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 39 CYS HB2 1 40 GLU H 0.000 . 5.000 3.995 2.264 4.406 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 39 CYS HB3 1 40 GLU H 0.000 . 5.000 3.663 2.745 4.217 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 40 GLU H 1 40 GLU HB2 0.000 . 3.500 3.387 3.182 3.649 0.149 17 0 "[ . 1 . 2 . 3]" 1
350 1 40 GLU H 1 40 GLU HB3 0.000 . 3.500 2.921 2.775 3.086 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 40 GLU H 1 40 GLU HG2 0.000 . 5.000 4.121 1.830 4.624 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 40 GLU H 1 40 GLU HG3 0.000 . 5.000 4.512 2.967 4.870 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 40 GLU H 1 41 ASP H 0.000 . 5.000 4.366 4.199 4.479 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 40 GLU HA 1 40 GLU QG 0.000 . 3.800 2.528 2.268 3.298 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 40 GLU HA 1 41 ASP H 0.000 . 2.700 2.252 2.091 2.428 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 40 GLU HA 1 41 ASP HB2 0.000 . 5.000 4.443 4.217 4.655 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 40 GLU HA 1 41 ASP HB3 0.000 . 5.000 4.582 4.319 5.009 0.009 13 0 "[ . 1 . 2 . 3]" 1
358 1 40 GLU HB2 1 41 ASP H 0.000 . 5.000 3.727 2.685 4.112 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 40 GLU HB3 1 41 ASP H 0.000 . 5.000 3.743 3.494 4.017 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 41 ASP H 1 41 ASP HB2 0.000 . 2.700 2.729 2.385 2.835 0.135 28 0 "[ . 1 . 2 . 3]" 1
361 1 41 ASP H 1 41 ASP HB3 0.000 . 2.700 2.425 2.325 2.621 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 41 ASP HA 1 42 ILE H 0.000 . 2.700 2.345 2.193 2.519 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 41 ASP HB3 1 42 ILE H 0.000 . 5.000 3.552 3.153 3.719 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 41 ASP HB2 1 42 ILE H 0.000 . 5.000 3.680 3.531 4.059 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 42 ILE H 1 42 ILE HA 0.000 . 2.700 2.837 2.798 2.910 0.210 17 0 "[ . 1 . 2 . 3]" 1
366 1 42 ILE H 1 42 ILE QG 0.000 . 4.500 3.483 1.988 4.099 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 42 ILE HA 1 42 ILE QG 0.000 . 3.800 2.724 2.404 3.374 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 42 ILE HA 1 43 ASP H 0.000 . 2.700 2.388 2.163 2.699 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 44 GLU H 1 44 GLU HG2 0.000 . 3.500 3.291 2.387 3.661 0.161 17 0 "[ . 1 . 2 . 3]" 1
370 1 44 GLU HG2 1 45 CYS H 0.000 . 5.000 4.214 2.928 5.099 0.099 19 0 "[ . 1 . 2 . 3]" 1
371 1 44 GLU HG2 1 62 TYR QD 0.000 . 5.500 3.074 2.158 3.436 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 44 GLU HG2 1 62 TYR QE 0.000 . 5.500 3.381 2.684 4.763 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 44 GLU HG3 1 62 TYR QD 0.000 . 5.500 3.805 2.397 4.735 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 44 GLU HG3 1 62 TYR QE 0.000 . 5.500 3.819 2.911 4.388 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 44 GLU H 1 44 GLU HG3 0.000 . 3.500 3.404 3.171 3.602 0.102 1 0 "[ . 1 . 2 . 3]" 1
376 1 44 GLU HG3 1 45 CYS H 0.000 . 5.000 4.855 4.473 5.021 0.021 6 0 "[ . 1 . 2 . 3]" 1
377 1 43 ASP H 1 43 ASP HB2 0.000 . 2.700 2.720 2.591 2.771 0.071 28 0 "[ . 1 . 2 . 3]" 1
378 1 43 ASP H 1 43 ASP HB3 0.000 . 2.700 2.598 2.540 2.640 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 43 ASP HA 1 44 GLU H 0.000 . 2.700 2.085 2.006 2.207 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 43 ASP HA 1 45 CYS H 0.000 . 3.500 3.486 3.293 3.595 0.095 29 0 "[ . 1 . 2 . 3]" 1
381 1 43 ASP HB2 1 44 GLU H 0.000 . 5.000 4.426 4.329 4.563 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 43 ASP HB3 1 44 GLU H 0.000 . 5.000 4.305 4.204 4.416 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 43 ASP QB 1 45 CYS H 0.000 . 5.300 4.083 3.934 4.200 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 44 GLU H 1 45 CYS H 0.000 . 2.700 2.519 2.341 2.766 0.066 24 0 "[ . 1 . 2 . 3]" 1
385 1 44 GLU H 1 62 TYR QD 0.000 . 7.000 4.701 4.248 5.404 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 44 GLU HA 1 45 CYS H 0.000 . 5.000 3.470 3.359 3.514 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 44 GLU HB3 1 62 TYR QD 0.000 . 5.500 4.231 3.370 5.251 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 44 GLU HB2 1 62 TYR QE 0.000 . 5.500 4.078 3.249 5.241 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 45 CYS H 1 45 CYS HA 0.000 . 2.700 2.819 2.772 2.857 0.157 22 0 "[ . 1 . 2 . 3]" 1
390 1 45 CYS H 1 45 CYS HB2 0.000 . 3.500 2.435 2.304 2.598 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 45 CYS H 1 45 CYS HB3 0.000 . 3.500 3.554 3.531 3.575 0.075 29 0 "[ . 1 . 2 . 3]" 1
392 1 45 CYS H 1 45 CYS QB 0.000 . 3.000 2.394 2.277 2.538 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 45 CYS H 1 46 GLN H 0.000 . 2.700 2.738 2.624 2.792 0.092 13 0 "[ . 1 . 2 . 3]" 1
394 1 45 CYS H 1 57 ASN HB3 0.000 . 5.000 4.568 4.021 5.049 0.049 3 0 "[ . 1 . 2 . 3]" 1
395 1 45 CYS HA 1 46 GLN H 0.000 . 5.000 3.448 3.379 3.505 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 45 CYS HA 1 47 ASP H 0.000 . 5.000 4.381 4.175 4.612 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 45 CYS QB 1 46 GLN H 0.000 . 5.300 1.960 1.854 2.370 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 45 CYS QB 1 55 CYS H 0.000 . 5.300 4.337 3.757 4.537 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 46 GLN H 1 46 GLN HA 0.000 . 2.700 2.721 2.685 2.756 0.056 18 0 "[ . 1 . 2 . 3]" 1
400 1 46 GLN H 1 46 GLN HB2 0.000 . 2.700 2.563 2.512 2.649 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 46 GLN H 1 46 GLN HB3 0.000 . 3.500 3.569 3.543 3.611 0.111 28 0 "[ . 1 . 2 . 3]" 1
402 1 46 GLN H 1 46 GLN HG2 0.000 . 3.500 2.202 1.882 3.239 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 46 GLN H 1 46 GLN HG3 0.000 . 3.500 3.157 1.896 3.494 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 46 GLN H 1 55 CYS QB 0.000 . 5.300 4.624 4.429 4.722 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 46 GLN HA 1 47 ASP H 0.000 . 3.500 3.502 3.477 3.540 0.040 28 0 "[ . 1 . 2 . 3]" 1
406 1 46 GLN HB2 1 47 ASP H 0.000 . 2.700 2.509 2.318 2.705 0.005 29 0 "[ . 1 . 2 . 3]" 1
407 1 46 GLN HB3 1 47 ASP H 0.000 . 3.500 3.510 3.347 3.571 0.071 2 0 "[ . 1 . 2 . 3]" 1
408 1 47 ASP H 1 47 ASP HA 0.000 . 2.700 2.850 2.846 2.860 0.160 28 0 "[ . 1 . 2 . 3]" 1
409 1 47 ASP H 1 47 ASP HB2 0.000 . 2.700 2.649 2.602 2.689 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 47 ASP H 1 47 ASP HB3 0.000 . 2.700 2.462 2.413 2.539 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 47 ASP H 1 48 PRO QD 0.000 . 6.000 4.370 4.247 4.453 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 47 ASP HA 1 48 PRO HD2 0.000 . 2.700 2.458 2.212 2.718 0.018 13 0 "[ . 1 . 2 . 3]" 1
413 1 47 ASP HA 1 48 PRO HD3 0.000 . 2.700 2.246 1.994 2.557 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 47 ASP HB2 1 48 PRO HD2 0.000 . 5.000 4.061 3.759 4.570 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 47 ASP HB3 1 48 PRO HD2 0.000 . 5.000 4.298 4.086 4.782 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 48 PRO HA 1 49 ASP H 0.000 . 2.700 2.316 2.150 2.765 0.065 28 0 "[ . 1 . 2 . 3]" 1
417 1 48 PRO QB 1 49 ASP H 0.000 . 4.500 3.877 3.704 4.037 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 49 ASP H 1 49 ASP HB2 0.000 . 3.500 3.287 2.827 3.349 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 49 ASP H 1 49 ASP HB3 0.000 . 2.700 2.727 2.501 2.765 0.065 8 0 "[ . 1 . 2 . 3]" 1
420 1 49 ASP H 1 50 THR H 0.000 . 2.700 1.923 1.598 2.571 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 49 ASP HA 1 50 THR H 0.000 . 3.500 3.508 3.451 3.537 0.037 13 0 "[ . 1 . 2 . 3]" 1
422 1 49 ASP HB2 1 50 THR H 0.000 . 5.000 3.832 3.515 4.021 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 49 ASP HB3 1 50 THR H 0.000 . 5.000 2.503 1.985 2.885 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 50 THR H 1 50 THR HB 0.000 . 3.500 3.279 2.451 3.557 0.057 14 0 "[ . 1 . 2 . 3]" 1
425 1 50 THR H 1 50 THR MG 0.000 . 4.500 2.484 1.816 3.793 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 50 THR H 1 51 CYS H 0.000 . 3.500 3.440 2.948 3.613 0.113 30 0 "[ . 1 . 2 . 3]" 1
427 1 50 THR HA 1 51 CYS H 0.000 . 3.500 3.474 3.279 3.579 0.079 9 0 "[ . 1 . 2 . 3]" 1
428 1 50 THR HB 1 51 CYS H 0.000 . 3.500 2.365 1.902 3.601 0.101 7 0 "[ . 1 . 2 . 3]" 1
429 1 50 THR MG 1 51 CYS H 0.000 . 4.500 3.256 1.628 3.755 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 51 CYS H 1 51 CYS HB2 0.000 . 3.500 2.417 2.210 2.598 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 51 CYS H 1 51 CYS HB3 0.000 . 3.500 3.561 3.513 3.620 0.120 17 0 "[ . 1 . 2 . 3]" 1
432 1 51 CYS H 1 52 SER H 0.000 . 5.000 4.589 4.433 4.720 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 51 CYS H 1 55 CYS HB2 0.000 . 5.000 3.706 3.361 4.215 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 51 CYS H 1 55 CYS HB3 0.000 . 5.000 5.061 5.006 5.133 0.133 9 0 "[ . 1 . 2 . 3]" 1
435 1 51 CYS HA 1 52 SER H 0.000 . 2.700 2.470 2.198 2.701 0.001 18 0 "[ . 1 . 2 . 3]" 1
436 1 51 CYS HA 1 53 GLN H 0.000 . 5.000 4.309 3.439 5.014 0.014 17 0 "[ . 1 . 2 . 3]" 1
437 1 51 CYS HB2 1 52 SER H 0.000 . 5.000 3.641 2.982 4.152 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 51 CYS HB3 1 52 SER H 0.000 . 5.000 2.573 1.883 3.357 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 52 SER H 1 52 SER HB2 0.000 . 3.500 2.665 2.381 3.564 0.064 11 0 "[ . 1 . 2 . 3]" 1
440 1 52 SER H 1 52 SER HB3 0.000 . 3.500 2.888 2.421 3.567 0.067 15 0 "[ . 1 . 2 . 3]" 1
441 1 52 SER H 1 80 LYS HA 0.000 . 5.000 5.079 5.035 5.137 0.137 8 0 "[ . 1 . 2 . 3]" 1
442 1 52 SER H 1 78 ALA HA 0.000 . 6.000 5.270 4.233 6.050 0.050 23 0 "[ . 1 . 2 . 3]" 1
443 1 52 SER HA 1 53 GLN H 0.000 . 3.500 3.426 3.061 3.537 0.037 17 0 "[ . 1 . 2 . 3]" 1
444 1 52 SER QB 1 53 GLN H 0.000 . 4.500 2.859 2.225 3.824 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 53 GLN H 1 53 GLN QG 0.000 . 3.800 2.941 2.540 3.199 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 53 GLN HB2 1 54 LEU H 0.000 . 2.700 1.926 1.649 2.174 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 53 GLN HB3 1 54 LEU H 0.000 . 2.700 2.326 1.840 2.852 0.152 15 0 "[ . 1 . 2 . 3]" 1
448 1 53 GLN HB2 1 66 CYS HA 0.000 . 5.000 3.333 2.193 3.771 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 53 GLN HB3 1 66 CYS HA 0.000 . 5.000 4.651 3.153 5.093 0.093 12 0 "[ . 1 . 2 . 3]" 1
450 1 53 GLN QG 1 66 CYS HA 0.000 . 5.300 4.422 2.196 4.899 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 54 LEU H 1 54 LEU HB2 0.000 . 3.500 2.463 2.368 2.581 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 54 LEU H 1 54 LEU HB3 0.000 . 3.500 3.060 2.112 3.605 0.105 10 0 "[ . 1 . 2 . 3]" 1
453 1 54 LEU H 1 54 LEU MD2 0.000 . 4.500 3.394 3.062 3.805 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 54 LEU H 1 55 CYS H 0.000 . 5.000 4.456 4.392 4.584 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 54 LEU H 1 66 CYS HA 0.000 . 5.000 3.463 1.922 4.120 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 54 LEU HA 1 54 LEU HG 0.000 . 3.500 3.028 2.575 3.307 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 54 LEU HA 1 55 CYS H 0.000 . 2.700 2.112 1.961 2.356 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 54 LEU HA 1 55 CYS HB2 0.000 . 5.000 4.224 4.121 4.344 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 54 LEU HA 1 55 CYS HB3 0.000 . 5.000 4.081 3.980 4.216 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 54 LEU QB 1 65 GLN H 0.000 . 5.300 3.870 2.850 4.522 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 54 LEU MD1 1 55 CYS H 0.000 . 4.500 3.811 3.705 3.930 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 54 LEU MD2 1 66 CYS H 0.000 . 6.000 4.521 3.285 5.195 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 54 LEU MD2 1 55 CYS H 0.000 . 3.700 2.814 2.450 2.956 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 54 LEU MD1 1 67 GLU H 0.000 . 6.000 4.621 4.178 4.887 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 54 LEU MD1 1 68 GLU H 0.000 . 4.500 3.539 3.254 3.627 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 55 CYS H 1 55 CYS HB2 0.000 . 3.500 3.416 3.353 3.521 0.021 7 0 "[ . 1 . 2 . 3]" 1
467 1 55 CYS H 1 55 CYS HB3 0.000 . 3.500 2.941 2.851 3.018 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 55 CYS HA 1 56 VAL H 0.000 . 2.700 2.560 2.428 2.692 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 55 CYS HA 1 64 CYS HA 0.000 . 5.000 2.273 1.959 2.797 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 55 CYS HA 1 65 GLN H 0.000 . 3.500 2.844 2.365 3.283 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 55 CYS HB2 1 56 VAL H 0.000 . 5.000 3.687 3.542 3.852 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 55 CYS HB3 1 56 VAL H 0.000 . 3.500 3.416 3.228 3.592 0.092 20 0 "[ . 1 . 2 . 3]" 1
473 1 56 VAL H 1 56 VAL HB 0.000 . 3.500 3.262 2.797 3.693 0.193 20 0 "[ . 1 . 2 . 3]" 1
474 1 56 VAL H 1 64 CYS HA 0.000 . 5.000 3.639 2.771 4.076 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 56 VAL HA 1 57 ASN H 0.000 . 2.700 2.115 1.992 2.248 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 56 VAL HA 1 57 ASN HB2 0.000 . 5.000 4.625 4.472 4.834 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 56 VAL HA 1 57 ASN HB3 0.000 . 5.000 4.563 4.370 4.714 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 56 VAL HB 1 57 ASN H 0.000 . 5.000 4.400 3.619 4.498 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 56 VAL QG 1 57 ASN H 0.000 . 5.100 3.271 3.081 3.692 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 57 ASN H 1 57 ASN HB2 0.000 . 2.700 2.678 2.523 2.714 0.014 2 0 "[ . 1 . 2 . 3]" 1
481 1 57 ASN H 1 57 ASN HB3 0.000 . 2.700 2.476 2.397 2.622 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 57 ASN H 1 57 ASN HD21 0.000 . 6.000 4.708 4.570 4.814 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 57 ASN H 1 57 ASN HD22 0.000 . 6.000 5.825 5.750 5.887 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 57 ASN HA 1 58 LEU H 0.000 . 5.000 2.191 2.119 2.308 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 57 ASN HA 1 62 TYR QD 0.000 . 7.000 4.519 4.168 5.478 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 57 ASN HA 1 63 LYS H 0.000 . 5.000 3.809 3.334 4.302 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 57 ASN HB2 1 58 LEU H 0.000 . 5.000 3.697 3.591 3.815 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 57 ASN HB3 1 58 LEU H 0.000 . 3.500 3.556 3.383 3.604 0.104 14 0 "[ . 1 . 2 . 3]" 1
489 1 57 ASN HB3 1 58 LEU HA 0.000 . 5.000 4.610 4.412 4.684 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 58 LEU H 1 58 LEU HG 0.000 . 3.500 3.465 2.869 3.565 0.065 13 0 "[ . 1 . 2 . 3]" 1
491 1 58 LEU HA 1 59 GLU H 0.000 . 2.700 2.799 2.727 2.839 0.139 28 0 "[ . 1 . 2 . 3]" 1
492 1 58 LEU HG 1 59 GLU H 0.000 . 3.500 2.574 2.459 3.282 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 58 LEU HG 1 61 GLY H 0.000 . 3.500 2.374 2.080 2.692 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 58 LEU MD1 1 61 GLY H 0.000 . 4.500 3.590 2.085 3.735 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 58 LEU MD1 1 59 GLU H 0.000 . 4.500 2.920 1.888 3.144 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 58 LEU MD1 1 62 TYR H 0.000 . 6.000 4.511 3.724 4.918 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 58 LEU MD2 1 59 GLU H 0.000 . 4.500 3.865 3.829 3.929 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 58 LEU MD2 1 63 LYS H 0.000 . 4.500 3.276 2.821 3.518 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 58 LEU MD2 1 61 GLY H 0.000 . 4.500 3.536 3.386 3.769 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 58 LEU MD2 1 62 TYR H 0.000 . 4.500 2.963 2.682 3.669 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 59 GLU H 1 59 GLU HB2 0.000 . 3.500 2.510 2.220 2.724 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 59 GLU H 1 59 GLU HB3 0.000 . 3.500 2.807 2.409 3.565 0.065 26 0 "[ . 1 . 2 . 3]" 1
503 1 59 GLU HA 1 60 GLY H 0.000 . 2.700 2.012 1.930 2.158 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 59 GLU HA 1 61 GLY H 0.000 . 3.500 3.710 3.601 3.773 0.273 12 0 "[ . 1 . 2 . 3]" 1
505 1 59 GLU HB3 1 60 GLY H 0.000 . 5.000 4.303 3.745 4.470 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 59 GLU HB2 1 60 GLY H 0.000 . 5.000 4.457 4.390 4.589 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 59 GLU HB3 1 61 GLY H 0.000 . 6.000 4.018 3.785 4.485 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 59 GLU HB2 1 61 GLY H 0.000 . 6.000 4.751 4.112 5.052 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 60 GLY H 1 60 GLY HA3 0.000 . 2.700 2.749 2.726 2.807 0.107 26 0 "[ . 1 . 2 . 3]" 1
510 1 60 GLY H 1 60 GLY HA2 0.000 . 2.700 2.259 2.227 2.297 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 60 GLY HA2 1 61 GLY H 0.000 . 3.500 3.320 3.260 3.412 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 60 GLY HA2 1 62 TYR H 0.000 . 5.500 3.660 3.363 5.580 0.080 23 0 "[ . 1 . 2 . 3]" 1
513 1 60 GLY HA3 1 61 GLY H 0.000 . 3.500 3.149 2.937 3.236 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 60 GLY HA3 1 62 TYR H 0.000 . 5.500 4.496 4.292 5.732 0.232 23 0 "[ . 1 . 2 . 3]" 1
515 1 61 GLY H 1 62 TYR H 0.000 . 5.000 2.817 2.394 4.286 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 61 GLY QA 1 62 TYR H 0.000 . 3.000 2.770 1.882 2.858 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 62 TYR H 1 62 TYR QD 0.000 . 5.500 2.131 1.973 2.320 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 62 TYR HA 1 63 LYS H 0.000 . 2.700 2.215 2.166 2.433 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 62 TYR HB2 1 63 LYS H 0.000 . 5.000 3.171 2.716 4.369 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 62 TYR HB3 1 63 LYS H 0.000 . 5.000 4.216 3.891 4.691 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 62 TYR QD 1 63 LYS H 0.000 . 5.500 3.983 3.522 4.830 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 62 TYR QD 1 63 LYS HA 0.000 . 5.500 3.890 3.198 4.758 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 62 TYR QD 1 64 CYS H 0.000 . 7.000 5.053 4.597 6.142 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 62 TYR QE 1 63 LYS HA 0.000 . 7.000 4.843 4.330 5.632 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 62 TYR QE 1 64 CYS H 0.000 . 7.000 5.778 5.491 6.571 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 63 LYS H 1 63 LYS HB2 0.000 . 3.500 2.824 2.537 3.752 0.252 13 0 "[ . 1 . 2 . 3]" 1
527 1 63 LYS H 1 63 LYS HB3 0.000 . 3.500 3.554 2.721 3.741 0.241 18 0 "[ . 1 . 2 . 3]" 1
528 1 63 LYS H 1 63 LYS HG2 0.000 . 5.000 3.627 2.147 4.673 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 63 LYS H 1 63 LYS HG3 0.000 . 5.000 3.382 2.196 4.932 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 63 LYS HA 1 64 CYS H 0.000 . 2.700 2.228 2.049 2.357 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 63 LYS HB2 1 64 CYS H 0.000 . 3.500 3.476 2.217 3.654 0.154 18 0 "[ . 1 . 2 . 3]" 1
532 1 63 LYS HB3 1 64 CYS H 0.000 . 3.500 2.767 2.324 3.616 0.116 21 0 "[ . 1 . 2 . 3]" 1
533 1 63 LYS HG2 1 64 CYS H 0.000 . 5.000 4.113 2.080 5.007 0.007 27 0 "[ . 1 . 2 . 3]" 1
534 1 63 LYS HG3 1 64 CYS H 0.000 . 5.000 4.447 2.187 5.029 0.029 23 0 "[ . 1 . 2 . 3]" 1
535 1 64 CYS H 1 64 CYS HB2 0.000 . 2.700 2.507 2.324 2.931 0.231 22 0 "[ . 1 . 2 . 3]" 1
536 1 64 CYS H 1 64 CYS HB3 0.000 . 3.500 3.297 2.329 3.656 0.156 29 0 "[ . 1 . 2 . 3]" 1
537 1 64 CYS HA 1 65 GLN H 0.000 . 2.700 2.181 1.920 2.323 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 64 CYS HB2 1 65 GLN H 0.000 . 3.500 3.565 3.511 3.745 0.245 6 0 "[ . 1 . 2 . 3]" 1
539 1 64 CYS HB3 1 65 GLN H 0.000 . 3.500 2.631 2.159 3.700 0.200 25 0 "[ . 1 . 2 . 3]" 1
540 1 65 GLN HA 1 66 CYS H 0.000 . 2.700 2.745 2.618 2.895 0.195 15 0 "[ . 1 . 2 . 3]" 1
541 1 65 GLN HB2 1 66 CYS H 0.000 . 2.700 2.786 2.703 2.835 0.135 26 0 "[ . 1 . 2 . 3]" 1
542 1 65 GLN HB3 1 66 CYS H 0.000 . 2.700 2.046 1.852 2.266 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 66 CYS H 1 66 CYS HB2 0.000 . 2.700 2.691 2.573 2.779 0.079 17 0 "[ . 1 . 2 . 3]" 1
544 1 66 CYS H 1 66 CYS HB3 0.000 . 3.500 3.687 3.611 3.757 0.257 17 0 "[ . 1 . 2 . 3]" 1
545 1 66 CYS HA 1 66 CYS HB3 0.000 . 2.700 2.357 2.287 2.597 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 66 CYS HA 1 67 GLU H 0.000 . 2.700 2.194 2.021 2.672 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 66 CYS HB2 1 67 GLU H 0.000 . 3.500 3.543 3.333 3.621 0.121 4 0 "[ . 1 . 2 . 3]" 1
548 1 66 CYS HB2 1 70 PHE QD 0.000 . 5.500 5.098 3.482 5.345 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 66 CYS HB3 1 67 GLU H 0.000 . 3.500 2.446 1.837 2.671 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 66 CYS HB3 1 70 PHE QD 0.000 . 4.700 3.746 2.370 4.040 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 66 CYS QB 1 70 PHE H 0.000 . 3.800 3.322 3.129 3.534 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 67 GLU H 1 67 GLU QB 0.000 . 3.000 2.269 2.171 2.332 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 67 GLU H 1 68 GLU H 0.000 . 5.000 3.618 3.239 3.876 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 67 GLU H 1 70 PHE H 0.000 . 5.000 3.668 3.452 4.217 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 67 GLU H 1 70 PHE QB 0.000 . 4.500 2.228 1.819 3.472 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 67 GLU H 1 70 PHE QD 0.000 . 5.500 3.200 2.645 3.632 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 67 GLU H 1 70 PHE QE 0.000 . 7.000 4.417 2.995 4.934 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 67 GLU HA 1 67 GLU QG 0.000 . 3.800 2.617 2.466 3.041 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 67 GLU HA 1 68 GLU H 0.000 . 3.500 2.427 2.260 2.660 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 67 GLU HB2 1 70 PHE QD 0.000 . 4.700 4.217 3.760 4.624 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 67 GLU HB2 1 70 PHE QE 0.000 . 4.700 4.243 3.451 4.614 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 67 GLU HB3 1 70 PHE QD 0.000 . 4.700 3.256 2.992 3.568 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 67 GLU HB3 1 70 PHE QE 0.000 . 4.700 3.427 2.613 3.840 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 67 GLU QB 1 68 GLU H 0.000 . 5.300 3.996 3.935 4.037 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 68 GLU HA 1 69 GLY H 0.000 . 3.500 3.499 3.474 3.515 0.015 20 0 "[ . 1 . 2 . 3]" 1
566 1 68 GLU H 1 68 GLU QB 0.000 . 3.800 3.314 3.216 3.392 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 68 GLU HB2 1 69 GLY H 0.000 . 2.700 1.947 1.884 2.054 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 68 GLU HB3 1 69 GLY H 0.000 . 2.700 2.728 2.705 2.758 0.058 23 0 "[ . 1 . 2 . 3]" 1
569 1 69 GLY H 1 69 GLY HA2 0.000 . 2.700 2.794 2.750 2.832 0.132 22 0 "[ . 1 . 2 . 3]" 1
570 1 69 GLY H 1 69 GLY HA3 0.000 . 2.700 2.299 2.278 2.314 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 69 GLY H 1 70 PHE H 0.000 . 2.700 2.736 2.583 2.849 0.149 17 0 "[ . 1 . 2 . 3]" 1
572 1 69 GLY H 1 70 PHE QD 0.000 . 7.000 3.862 3.477 4.227 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 69 GLY HA2 1 70 PHE H 0.000 . 3.500 3.441 3.313 3.502 0.002 25 0 "[ . 1 . 2 . 3]" 1
574 1 69 GLY HA2 1 70 PHE QD 0.000 . 7.000 4.513 4.345 4.738 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 69 GLY HA3 1 70 PHE H 0.000 . 3.500 3.088 2.991 3.253 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 69 GLY HA3 1 70 PHE QD 0.000 . 7.000 3.346 3.181 3.694 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 69 GLY HA3 1 82 VAL MG1 0.000 . 6.000 3.605 3.375 3.807 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 70 PHE H 1 70 PHE HA 0.000 . 2.700 2.835 2.825 2.845 0.145 18 0 "[ . 1 . 2 . 3]" 1
579 1 70 PHE H 1 70 PHE HB2 0.000 . 3.500 2.286 2.223 2.432 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 70 PHE H 1 70 PHE HB3 0.000 . 3.500 3.547 3.527 3.594 0.094 27 0 "[ . 1 . 2 . 3]" 1
581 1 70 PHE H 1 70 PHE QD 0.000 . 4.700 2.321 2.123 2.597 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 70 PHE H 1 82 VAL MG1 0.000 . 6.000 4.833 4.806 4.859 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 70 PHE HA 1 70 PHE HB3 0.000 . 2.700 2.584 2.490 2.629 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 70 PHE HA 1 71 GLN H 0.000 . 2.700 2.338 2.280 2.383 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 70 PHE HA 1 80 LYS H 0.000 . 5.000 4.014 3.795 4.187 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 70 PHE HA 1 81 ALA HA 0.000 . 2.700 2.200 2.088 2.622 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 70 PHE HA 1 81 ALA MB 0.000 . 6.000 3.914 3.832 4.229 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 70 PHE HA 1 82 VAL H 0.000 . 2.700 2.076 2.019 2.121 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 70 PHE HA 1 82 VAL QG 0.000 . 7.400 3.690 3.630 3.753 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 70 PHE HB2 1 71 GLN H 0.000 . 5.000 3.822 3.561 3.888 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 70 PHE HB2 1 82 VAL H 0.000 . 5.000 5.017 4.973 5.050 0.050 23 0 "[ . 1 . 2 . 3]" 1
592 1 70 PHE HB3 1 70 PHE QE 0.000 . 4.700 4.410 4.384 4.455 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 70 PHE HB3 1 71 GLN H 0.000 . 2.700 2.602 2.310 2.668 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 70 PHE HB3 1 82 VAL H 0.000 . 5.000 4.591 4.453 4.669 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 70 PHE QB 1 71 GLN H 0.000 . 3.130 2.561 2.282 2.622 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 70 PHE QD 1 71 GLN H 0.000 . 4.700 4.241 4.158 4.374 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 70 PHE QD 1 79 CYS HA 0.000 . 7.000 4.480 4.280 4.735 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 70 PHE QD 1 79 CYS QB 0.000 . 5.000 2.819 2.484 3.301 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 70 PHE QD 1 80 LYS H 0.000 . 5.500 3.415 3.164 3.959 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 70 PHE QD 1 80 LYS HA 0.000 . 4.700 2.169 1.934 2.634 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 70 PHE QD 1 80 LYS HB2 0.000 . 4.700 4.318 3.996 4.654 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 70 PHE QD 1 80 LYS HB3 0.000 . 7.000 4.318 4.184 4.597 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 70 PHE QD 1 81 ALA H 0.000 . 4.700 3.387 3.266 3.603 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 70 PHE QD 1 81 ALA HA 0.000 . 5.500 2.260 2.009 2.519 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 70 PHE QD 1 81 ALA MB 0.000 . 5.700 3.309 3.180 3.433 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 70 PHE QE 1 80 LYS HA 0.000 . 7.000 2.784 2.547 3.053 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 70 PHE QE 1 80 LYS HB2 0.000 . 7.000 4.329 4.010 4.587 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 70 PHE QE 1 80 LYS HB3 0.000 . 7.000 4.602 4.444 4.720 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 70 PHE QE 1 81 ALA H 0.000 . 5.500 3.256 3.113 3.454 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 70 PHE QE 1 81 ALA HA 0.000 . 5.500 3.312 2.957 3.421 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 70 PHE QE 1 81 ALA MB 0.000 . 5.700 2.658 2.508 2.841 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 70 PHE HZ 1 81 ALA MB 0.000 . 5.700 3.527 3.206 4.296 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 71 GLN H 1 71 GLN HB2 0.000 . 3.500 2.494 2.426 2.545 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 71 GLN H 1 71 GLN HB3 0.000 . 3.500 3.591 3.567 3.602 0.102 2 0 "[ . 1 . 2 . 3]" 1
615 1 71 GLN H 1 71 GLN QB 0.000 . 2.950 2.450 2.389 2.494 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 71 GLN H 1 72 LEU H 0.000 . 5.000 4.326 4.292 4.390 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 71 GLN H 1 73 ASP H 0.000 . 5.000 5.052 5.025 5.082 0.082 1 0 "[ . 1 . 2 . 3]" 1
618 1 71 GLN H 1 79 CYS HA 0.000 . 5.000 4.053 3.887 4.217 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 71 GLN H 1 80 LYS H 0.000 . 2.700 2.635 2.449 2.727 0.027 2 0 "[ . 1 . 2 . 3]" 1
620 1 71 GLN H 1 82 VAL H 0.000 . 3.500 3.472 3.357 3.519 0.019 7 0 "[ . 1 . 2 . 3]" 1
621 1 71 GLN H 1 82 VAL QG 0.000 . 7.400 4.254 4.123 4.367 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 71 GLN HA 1 71 GLN HB3 0.000 . 2.700 2.699 2.678 2.712 0.012 19 0 "[ . 1 . 2 . 3]" 1
623 1 71 GLN HA 1 72 LEU H 0.000 . 2.700 2.348 2.259 2.462 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 71 GLN HA 1 72 LEU HB2 0.000 . 5.000 4.421 4.332 4.546 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 71 GLN HA 1 72 LEU HB3 0.000 . 5.000 4.847 4.760 4.968 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 71 GLN HB2 1 72 LEU H 0.000 . 3.500 3.567 3.536 3.589 0.089 26 0 "[ . 1 . 2 . 3]" 1
627 1 71 GLN HB3 1 72 LEU H 0.000 . 2.700 2.165 2.087 2.220 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 71 GLN QB 1 72 LEU QD 0.000 . 8.400 4.908 4.883 4.938 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 72 LEU H 1 72 LEU HB2 0.000 . 2.700 2.680 2.645 2.707 0.007 1 0 "[ . 1 . 2 . 3]" 1
630 1 72 LEU H 1 72 LEU HB3 0.000 . 2.700 2.562 2.545 2.586 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 72 LEU H 1 72 LEU HG 0.000 . 5.000 4.493 4.476 4.512 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 72 LEU HA 1 72 LEU MD1 0.000 . 4.500 2.012 2.004 2.021 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 72 LEU HA 1 72 LEU MD2 0.000 . 4.500 3.849 3.839 3.856 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 72 LEU HA 1 73 ASP H 0.000 . 2.700 2.124 2.073 2.155 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 72 LEU HA 1 80 LYS H 0.000 . 5.000 4.519 4.300 4.826 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 72 LEU HG 1 73 ASP H 0.000 . 3.500 3.554 3.530 3.567 0.067 7 0 "[ . 1 . 2 . 3]" 1
637 1 72 LEU MD1 1 73 ASP H 0.000 . 4.500 2.981 2.733 3.101 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 72 LEU MD1 1 77 LYS H 0.000 . 6.000 4.115 3.958 4.356 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 72 LEU MD1 1 78 ALA H 0.000 . 6.000 3.853 3.562 4.255 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 72 LEU QD 1 77 LYS HA 0.000 . 5.900 2.211 2.087 2.542 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 72 LEU QD 1 79 CYS HA 0.000 . 7.400 3.839 3.436 4.192 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 73 ASP H 1 73 ASP HB2 0.000 . 2.700 2.617 2.547 2.690 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 73 ASP H 1 73 ASP HB3 0.000 . 2.700 2.560 2.436 2.650 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 73 ASP H 1 77 LYS H 0.000 . 5.000 4.819 4.655 5.013 0.013 28 0 "[ . 1 . 2 . 3]" 1
645 1 73 ASP H 1 78 ALA H 0.000 . 5.000 4.128 3.801 4.588 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 73 ASP H 1 80 LYS H 0.000 . 5.000 3.951 3.783 4.094 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 73 ASP H 1 80 LYS QG 0.000 . 5.300 3.782 3.524 4.389 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 73 ASP HA 1 74 PRO HD2 0.000 . 3.500 2.321 2.189 2.425 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 73 ASP HA 1 74 PRO HD3 0.000 . 3.500 2.340 2.259 2.479 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 73 ASP HB3 1 76 THR H 0.000 . 5.000 4.761 4.659 4.875 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 73 ASP HB3 1 76 THR HB 0.000 . 5.000 4.105 3.816 4.324 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 73 ASP HB3 1 78 ALA H 0.000 . 3.500 3.200 3.030 3.435 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 73 ASP HB3 1 78 ALA MB 0.000 . 4.500 3.470 3.127 3.508 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 74 PRO HA 1 75 HIS H 0.000 . 3.500 2.316 2.279 2.380 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 74 PRO HB2 1 75 HIS H 0.000 . 2.700 2.598 2.539 2.649 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 74 PRO HG2 1 75 HIS H 0.000 . 5.000 4.285 4.259 4.342 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 74 PRO HG3 1 75 HIS H 0.000 . 5.000 5.025 5.000 5.049 0.049 13 0 "[ . 1 . 2 . 3]" 1
658 1 74 PRO QG 1 75 HIS HD1 0.000 . 3.800 2.182 2.059 2.435 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 75 HIS H 1 75 HIS HA 0.000 . 2.700 2.328 2.320 2.338 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 75 HIS H 1 75 HIS QB 0.000 . 3.800 3.411 3.363 3.444 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 75 HIS H 1 76 THR H 0.000 . 2.700 2.714 2.701 2.723 0.023 25 0 "[ . 1 . 2 . 3]" 1
662 1 75 HIS HA 1 75 HIS HD1 0.000 . 5.000 4.011 3.919 4.105 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 75 HIS HA 1 76 THR H 0.000 . 5.000 3.176 3.120 3.220 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 75 HIS HA 1 76 THR MG 0.000 . 6.000 4.323 4.274 4.398 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 75 HIS QB 1 76 THR H 0.000 . 3.800 3.405 3.375 3.434 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 75 HIS QB 1 76 THR MG 0.000 . 4.800 2.763 2.686 2.869 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 76 THR H 1 76 THR MG 0.000 . 4.500 2.935 2.851 2.987 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 76 THR H 1 77 LYS H 0.000 . 2.700 1.692 1.623 1.755 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 76 THR HA 1 76 THR MG 0.000 . 3.700 2.501 2.489 2.519 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 76 THR HA 1 77 LYS H 0.000 . 3.500 3.409 3.392 3.464 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 76 THR HA 1 78 ALA H 0.000 . 5.000 4.050 3.934 4.122 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 76 THR HB 1 77 LYS H 0.000 . 3.500 3.552 3.530 3.578 0.078 16 0 "[ . 1 . 2 . 3]" 1
673 1 76 THR HB 1 78 ALA H 0.000 . 2.700 2.725 2.697 2.758 0.058 26 0 "[ . 1 . 2 . 3]" 1
674 1 77 LYS H 1 77 LYS HA 0.000 . 2.700 2.331 2.220 2.341 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 77 LYS H 1 77 LYS HB2 0.000 . 3.500 3.510 2.957 3.564 0.064 28 0 "[ . 1 . 2 . 3]" 1
676 1 77 LYS H 1 77 LYS QG 0.000 . 3.800 2.766 2.607 3.643 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 77 LYS H 1 78 ALA H 0.000 . 2.700 2.562 2.462 2.715 0.015 15 0 "[ . 1 . 2 . 3]" 1
678 1 77 LYS HA 1 77 LYS HB2 0.000 . 2.700 2.917 2.652 2.934 0.234 26 0 "[ . 1 . 2 . 3]" 1
679 1 77 LYS HA 1 77 LYS HB3 0.000 . 2.700 2.449 2.400 2.909 0.209 16 0 "[ . 1 . 2 . 3]" 1
680 1 77 LYS HA 1 78 ALA H 0.000 . 3.500 3.102 2.975 3.272 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 77 LYS HA 1 78 ALA MB 0.000 . 6.530 4.783 4.700 4.885 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 77 LYS HB2 1 78 ALA H 0.000 . 5.000 3.714 3.428 4.325 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 77 LYS HB3 1 78 ALA H 0.000 . 5.000 4.348 3.876 4.437 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 78 ALA H 1 79 CYS H 0.000 . 5.000 4.544 4.368 4.656 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 78 ALA HA 1 79 CYS H 0.000 . 3.500 2.320 2.137 2.812 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 78 ALA MB 1 79 CYS H 0.000 . 3.700 2.750 1.959 3.070 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 79 CYS H 1 79 CYS QB 0.000 . 3.800 2.472 2.348 3.260 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 79 CYS H 1 80 LYS H 0.000 . 5.000 4.539 4.319 4.599 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 79 CYS HA 1 80 LYS H 0.000 . 2.700 2.119 2.061 2.247 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 79 CYS QB 1 80 LYS H 0.000 . 3.800 2.836 2.494 3.461 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 80 LYS H 1 80 LYS QB 0.000 . 3.800 3.282 3.182 3.310 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 80 LYS H 1 80 LYS QG 0.000 . 3.800 2.550 2.290 2.751 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 80 LYS HA 1 81 ALA H 0.000 . 2.700 2.442 2.326 2.560 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 80 LYS QB 1 81 ALA H 0.000 . 3.800 2.310 2.146 2.494 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 80 LYS QG 1 81 ALA H 0.000 . 5.300 3.791 3.268 4.405 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 81 ALA HA 1 82 VAL QG 0.000 . 7.400 3.626 3.502 3.707 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 82 VAL H 1 82 VAL HA 0.000 . 2.700 2.747 2.729 2.760 0.060 29 0 "[ . 1 . 2 . 3]" 1
698 1 82 VAL H 1 82 VAL HB 0.000 . 2.700 2.445 2.406 2.471 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 82 VAL H 1 82 VAL MG1 0.000 . 4.500 2.183 2.133 2.266 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 82 VAL H 1 82 VAL MG2 0.000 . 4.500 3.775 3.763 3.790 . 0 0 "[ . 1 . 2 . 3]" 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 30
_Distance_constraint_stats_list.Viol_count 612
_Distance_constraint_stats_list.Viol_total 7946.862
_Distance_constraint_stats_list.Viol_max 2.253
_Distance_constraint_stats_list.Viol_rms 0.5950
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2943
_Distance_constraint_stats_list.Viol_average_violations_only 0.4328
_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 7 ASP 20.825 0.837 26 16 "[**- * * ** *** *** *+ *3]"
1 8 ASN 20.825 0.837 26 16 "[**- * * ** *** *** *+ *3]"
1 17 ASN 2.661 0.106 17 0 "[ . 1 . 2 . 3]"
1 24 GLU 2.661 0.106 17 0 "[ . 1 . 2 . 3]"
1 29 ASP 59.543 2.184 26 19 "[ **.* - *** **** *2* *.+****]"
1 31 PHE 59.543 2.184 26 19 "[ **.* - *** **** *2* *.+****]"
1 32 GLN 3.108 0.153 17 0 "[ . 1 . 2 . 3]"
1 34 VAL 0.610 0.061 3 0 "[ . 1 . 2 . 3]"
1 36 GLN 0.610 0.061 3 0 "[ . 1 . 2 . 3]"
1 40 GLU 3.108 0.153 17 0 "[ . 1 . 2 . 3]"
1 41 ASP 42.809 1.893 13 28 "[*****-******+******* ***.*****]"
1 42 ILE 42.809 1.893 13 28 "[*****-******+******* ***.*****]"
1 43 ASP 121.016 2.253 24 30 [************-**********+******]
1 45 CYS 121.016 2.253 24 30 [************-**********+******]
1 56 VAL 2.485 0.159 26 0 "[ . 1 . 2 . 3]"
1 57 ASN 0.938 0.109 22 0 "[ . 1 . 2 . 3]"
1 58 LEU 0.938 0.109 22 0 "[ . 1 . 2 . 3]"
1 63 LYS 2.485 0.159 26 0 "[ . 1 . 2 . 3]"
1 67 GLU 4.823 0.138 3 0 "[ . 1 . 2 . 3]"
1 69 GLY 7.203 0.138 3 0 "[ . 1 . 2 . 3]"
1 71 GLN 3.698 0.106 1 0 "[ . 1 . 2 . 3]"
1 72 LEU 3.698 0.106 1 0 "[ . 1 . 2 . 3]"
1 82 VAL 2.380 0.092 29 0 "[ . 1 . 2 . 3]"
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 32 GLN H 1 40 GLU O 1.900 . 2.000 2.086 2.037 2.153 0.153 17 0 "[ . 1 . 2 . 3]" 2
2 1 32 GLN N 1 40 GLU O 2.800 2.700 3.000 2.983 2.899 3.079 0.079 17 0 "[ . 1 . 2 . 3]" 2
3 1 69 GLY O 1 82 VAL H 1.900 . 2.000 2.076 2.054 2.092 0.092 29 0 "[ . 1 . 2 . 3]" 2
4 1 69 GLY O 1 82 VAL N 2.800 2.700 3.000 2.999 2.977 3.014 0.014 19 0 "[ . 1 . 2 . 3]" 2
5 1 7 ASP OD2 1 8 ASN H 1.900 . 2.000 2.406 2.041 2.837 0.837 26 16 "[*** * * ** -** *** *+ *3]" 2
6 1 7 ASP OD2 1 8 ASN N 2.800 2.700 3.000 3.235 2.875 3.662 0.662 26 14 "[ *- * * ** .** *** *+ *3]" 2
7 1 34 VAL O 1 36 GLN H 1.900 . 2.000 2.019 1.964 2.061 0.061 3 0 "[ . 1 . 2 . 3]" 2
8 1 34 VAL O 1 36 GLN N 2.800 2.700 3.000 2.893 2.856 2.930 . 0 0 "[ . 1 . 2 . 3]" 2
9 1 32 GLN O 1 40 GLU H 1.900 . 2.000 1.968 1.879 2.047 0.047 5 0 "[ . 1 . 2 . 3]" 2
10 1 32 GLN O 1 40 GLU N 2.800 2.700 3.000 2.862 2.711 3.014 0.014 9 0 "[ . 1 . 2 . 3]" 2
11 1 43 ASP OD2 1 45 CYS H 1.900 . 2.000 4.146 4.003 4.253 2.253 24 30 [*********************-*+******] 2
12 1 43 ASP OD2 1 45 CYS N 2.800 2.700 3.000 4.888 4.810 5.007 2.007 24 30 [************-**********+******] 2
13 1 29 ASP OD1 1 31 PHE H 1.900 . 2.000 3.053 2.047 4.184 2.184 26 19 "[ **.* * *** **** *2* *.+**-*]" 2
14 1 29 ASP OD1 1 31 PHE N 2.800 2.700 3.000 3.901 2.757 4.904 1.904 21 19 "[ **.* - *** **** *2+ *.*****]" 2
15 1 67 GLU O 1 69 GLY H 1.900 . 2.000 2.073 1.999 2.130 0.130 22 0 "[ . 1 . 2 . 3]" 2
16 1 67 GLU O 1 69 GLY N 2.800 2.700 3.000 2.612 2.562 2.694 0.138 3 0 "[ . 1 . 2 . 3]" 2
17 1 56 VAL H 1 63 LYS O 1.900 . 2.000 1.996 1.922 2.042 0.042 21 0 "[ . 1 . 2 . 3]" 2
18 1 56 VAL N 1 63 LYS O 2.800 2.700 3.000 2.781 2.648 2.889 0.052 21 0 "[ . 1 . 2 . 3]" 2
19 1 56 VAL O 1 63 LYS H 1.900 . 2.000 2.065 2.000 2.159 0.159 26 0 "[ . 1 . 2 . 3]" 2
20 1 56 VAL O 1 63 LYS N 2.800 2.700 3.000 2.982 2.862 3.013 0.013 22 0 "[ . 1 . 2 . 3]" 2
21 1 17 ASN H 1 24 GLU O 1.900 . 2.000 2.061 2.010 2.106 0.106 17 0 "[ . 1 . 2 . 3]" 2
22 1 17 ASN N 1 24 GLU O 2.800 2.700 3.000 2.956 2.844 3.028 0.028 2 0 "[ . 1 . 2 . 3]" 2
23 1 17 ASN O 1 24 GLU H 1.900 . 2.000 2.025 1.990 2.068 0.068 26 0 "[ . 1 . 2 . 3]" 2
24 1 17 ASN O 1 24 GLU N 2.800 2.700 3.000 2.957 2.887 3.002 0.002 30 0 "[ . 1 . 2 . 3]" 2
25 1 57 ASN OD1 1 58 LEU H 1.900 . 2.000 2.029 1.998 2.109 0.109 22 0 "[ . 1 . 2 . 3]" 2
26 1 57 ASN OD1 1 58 LEU N 2.800 2.700 3.000 2.799 2.619 2.863 0.081 22 0 "[ . 1 . 2 . 3]" 2
27 1 71 GLN OE1 1 72 LEU H 1.900 . 2.000 2.100 2.094 2.106 0.106 1 0 "[ . 1 . 2 . 3]" 2
28 1 71 GLN OE1 1 72 LEU N 2.800 2.700 3.000 3.023 3.008 3.030 0.030 26 0 "[ . 1 . 2 . 3]" 2
29 1 41 ASP OD2 1 42 ILE H 1.900 . 2.000 3.063 2.166 3.893 1.893 13 28 "[*********-**+******* ***.*****]" 2
30 1 41 ASP OD2 1 42 ILE N 2.800 2.700 3.000 3.342 2.678 4.216 1.216 13 5 "[ .- 1* + . *2 . *3]" 2
stop_
save_
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