NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
441133 |
2kak   |
16025 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kak
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 533
_Distance_constraint_stats_list.Viol_count 2001
_Distance_constraint_stats_list.Viol_total 2680.846
_Distance_constraint_stats_list.Viol_max 0.122
_Distance_constraint_stats_list.Viol_rms 0.0282
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0126
_Distance_constraint_stats_list.Viol_average_violations_only 0.0670
_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 GLU 0.316 0.083 2 0 "[ . 1 . 2]"
1 3 HIS 4.919 0.097 7 0 "[ . 1 . 2]"
1 4 THR 7.865 0.098 16 0 "[ . 1 . 2]"
1 5 THR 5.895 0.103 16 0 "[ . 1 . 2]"
1 6 CYS 10.832 0.104 9 0 "[ . 1 . 2]"
1 7 GLY 2.103 0.094 13 0 "[ . 1 . 2]"
1 8 CYS 12.122 0.104 9 0 "[ . 1 . 2]"
1 9 GLY 7.919 0.100 7 0 "[ . 1 . 2]"
1 10 GLU 7.124 0.114 1 0 "[ . 1 . 2]"
1 11 HIS 6.475 0.098 9 0 "[ . 1 . 2]"
1 12 CYS 6.022 0.098 16 0 "[ . 1 . 2]"
1 13 GLY 5.538 0.122 3 0 "[ . 1 . 2]"
1 14 CYS 10.742 0.122 3 0 "[ . 1 . 2]"
1 15 ASN 13.486 0.115 14 0 "[ . 1 . 2]"
1 16 PRO 2.527 0.089 16 0 "[ . 1 . 2]"
1 17 CYS 7.466 0.103 6 0 "[ . 1 . 2]"
1 18 ALA 3.736 0.110 18 0 "[ . 1 . 2]"
1 19 CYS 5.578 0.092 6 0 "[ . 1 . 2]"
1 20 GLY 6.535 0.110 18 0 "[ . 1 . 2]"
1 21 ARG 6.273 0.103 20 0 "[ . 1 . 2]"
1 22 GLU 2.175 0.102 8 0 "[ . 1 . 2]"
1 23 GLY 1.709 0.098 15 0 "[ . 1 . 2]"
1 24 THR 4.320 0.109 7 0 "[ . 1 . 2]"
1 25 PRO 3.059 0.100 6 0 "[ . 1 . 2]"
1 26 SER 2.596 0.109 7 0 "[ . 1 . 2]"
1 27 GLY 0.491 0.087 3 0 "[ . 1 . 2]"
1 28 ARG 2.587 0.096 14 0 "[ . 1 . 2]"
1 29 ALA 4.663 0.116 15 0 "[ . 1 . 2]"
1 30 ASN 2.658 0.116 15 0 "[ . 1 . 2]"
1 31 ARG 5.233 0.108 8 0 "[ . 1 . 2]"
1 32 ARG 9.601 0.121 19 0 "[ . 1 . 2]"
1 33 ALA 4.094 0.117 13 0 "[ . 1 . 2]"
1 34 ASN 2.471 0.101 14 0 "[ . 1 . 2]"
1 35 CYS 13.044 0.117 2 0 "[ . 1 . 2]"
1 36 SER 5.645 0.103 12 0 "[ . 1 . 2]"
1 37 CYS 4.577 0.108 12 0 "[ . 1 . 2]"
1 38 GLY 4.725 0.114 1 0 "[ . 1 . 2]"
1 39 ALA 1.044 0.105 12 0 "[ . 1 . 2]"
1 40 ALA 1.521 0.102 3 0 "[ . 1 . 2]"
1 41 CYS 3.930 0.095 10 0 "[ . 1 . 2]"
1 42 ASN 3.307 0.097 3 0 "[ . 1 . 2]"
1 43 CYS 12.999 0.097 20 0 "[ . 1 . 2]"
1 44 ALA 0.995 0.116 6 0 "[ . 1 . 2]"
1 45 SER 5.644 0.116 6 0 "[ . 1 . 2]"
1 46 CYS 8.366 0.107 8 0 "[ . 1 . 2]"
1 47 GLY 2.067 0.095 3 0 "[ . 1 . 2]"
1 48 SER 1.295 0.086 6 0 "[ . 1 . 2]"
1 49 ALA 1.653 0.104 10 0 "[ . 1 . 2]"
1 50 THR 0.683 0.101 5 0 "[ . 1 . 2]"
1 51 ALA 2.397 0.103 2 0 "[ . 1 . 2]"
1 52 PRO 2.018 0.103 2 0 "[ . 1 . 2]"
1 53 GLY 0.379 0.097 10 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 HIS HE1 1 19 CYS HB3 . . 3.360 1.998 1.933 2.067 . 0 0 "[ . 1 . 2]" 1
2 1 24 THR HA 1 25 PRO QG . . 4.100 3.912 3.852 3.973 . 0 0 "[ . 1 . 2]" 1
3 1 4 THR MG 1 17 CYS HA . . 4.440 3.742 3.390 4.050 . 0 0 "[ . 1 . 2]" 1
4 1 4 THR HG1 1 17 CYS HA . . 4.680 3.522 2.218 4.126 . 0 0 "[ . 1 . 2]" 1
5 1 18 ALA MB 1 19 CYS HA . . 4.150 4.147 4.005 4.230 0.080 6 0 "[ . 1 . 2]" 1
6 1 5 THR HA 1 15 ASN QB . . 4.570 2.791 2.550 3.634 . 0 0 "[ . 1 . 2]" 1
7 1 25 PRO HB2 1 34 ASN HA . . 3.880 3.407 2.595 3.964 0.084 7 0 "[ . 1 . 2]" 1
8 1 5 THR HB 1 10 GLU HB2 . . 5.500 5.356 5.081 5.567 0.067 9 0 "[ . 1 . 2]" 1
9 1 10 GLU HB2 1 37 CYS HA . . 5.500 5.027 4.248 5.406 . 0 0 "[ . 1 . 2]" 1
10 1 45 SER QB 1 47 GLY H . . 5.080 5.004 4.843 5.153 0.073 10 0 "[ . 1 . 2]" 1
11 1 45 SER QB 1 46 CYS H . . 3.110 3.190 3.077 3.217 0.107 8 0 "[ . 1 . 2]" 1
12 1 7 GLY H 1 9 GLY H . . 5.190 4.406 4.283 4.538 . 0 0 "[ . 1 . 2]" 1
13 1 43 CYS H 1 46 CYS H . . 5.370 5.122 4.999 5.340 . 0 0 "[ . 1 . 2]" 1
14 1 6 CYS HA 1 9 GLY H . . 5.110 4.952 4.748 5.105 . 0 0 "[ . 1 . 2]" 1
15 1 43 CYS HA 1 46 CYS H . . 5.480 4.502 4.395 4.605 . 0 0 "[ . 1 . 2]" 1
16 1 46 CYS H 1 48 SER H . . 4.200 3.959 3.553 4.281 0.081 9 0 "[ . 1 . 2]" 1
17 1 46 CYS HA 1 48 SER H . . 4.940 4.575 3.988 5.014 0.074 15 0 "[ . 1 . 2]" 1
18 1 48 SER H 1 49 ALA H . . 4.770 4.014 2.585 4.588 . 0 0 "[ . 1 . 2]" 1
19 1 8 CYS H 1 9 GLY H . . 3.030 2.659 2.417 2.827 . 0 0 "[ . 1 . 2]" 1
20 1 8 CYS H 1 10 GLU H . . 4.140 4.053 3.575 4.218 0.078 2 0 "[ . 1 . 2]" 1
21 1 6 CYS H 1 8 CYS H . . 5.220 5.039 4.735 5.249 0.029 9 0 "[ . 1 . 2]" 1
22 1 6 CYS HB2 1 8 CYS H . . 4.380 4.452 4.357 4.484 0.104 9 0 "[ . 1 . 2]" 1
23 1 6 CYS HA 1 8 CYS H . . 4.390 4.036 3.948 4.286 . 0 0 "[ . 1 . 2]" 1
24 1 27 GLY H 1 28 ARG H . . 3.660 3.209 2.348 3.747 0.087 3 0 "[ . 1 . 2]" 1
25 1 5 THR HB 1 10 GLU HB3 . . 5.500 5.016 4.461 5.332 . 0 0 "[ . 1 . 2]" 1
26 1 10 GLU HB3 1 37 CYS HA . . 5.500 4.574 3.928 5.132 . 0 0 "[ . 1 . 2]" 1
27 1 14 CYS HA 1 14 CYS QB . . 2.480 2.165 2.130 2.205 . 0 0 "[ . 1 . 2]" 1
28 1 8 CYS H 1 42 ASN H . . 5.440 5.447 5.248 5.533 0.093 9 0 "[ . 1 . 2]" 1
29 1 19 CYS HA 1 19 CYS HB2 . . 3.020 2.240 2.194 2.280 . 0 0 "[ . 1 . 2]" 1
30 1 7 GLY H 1 15 ASN HD22 . . 5.380 4.080 3.574 5.055 . 0 0 "[ . 1 . 2]" 1
31 1 7 GLY H 1 15 ASN QB . . 5.250 5.204 4.060 5.344 0.094 13 0 "[ . 1 . 2]" 1
32 1 33 ALA H 1 35 CYS H . . 5.140 3.639 2.752 4.094 . 0 0 "[ . 1 . 2]" 1
33 1 11 HIS H 1 11 HIS HB3 . . 3.650 3.386 3.293 3.515 . 0 0 "[ . 1 . 2]" 1
34 1 5 THR MG 1 11 HIS H . . 3.990 3.166 2.945 3.397 . 0 0 "[ . 1 . 2]" 1
35 1 46 CYS H 1 47 GLY H . . 3.030 2.134 1.931 2.363 . 0 0 "[ . 1 . 2]" 1
36 1 46 CYS H 1 46 CYS HB2 . . 3.390 2.492 2.335 2.598 . 0 0 "[ . 1 . 2]" 1
37 1 22 GLU HA 1 22 GLU HG2 . . 4.200 3.512 2.549 3.890 . 0 0 "[ . 1 . 2]" 1
38 1 21 ARG HB3 1 21 ARG QD . . 3.690 2.405 2.186 3.171 . 0 0 "[ . 1 . 2]" 1
39 1 49 ALA MB 1 50 THR H . . 4.040 3.178 1.934 3.779 . 0 0 "[ . 1 . 2]" 1
40 1 32 ARG QD 1 34 ASN H . . 5.380 5.110 4.311 5.479 0.099 19 0 "[ . 1 . 2]" 1
41 1 50 THR H 1 50 THR MG . . 4.530 2.682 1.944 3.437 . 0 0 "[ . 1 . 2]" 1
42 1 50 THR H 1 50 THR HG1 . . 5.180 3.583 1.910 4.855 . 0 0 "[ . 1 . 2]" 1
43 1 20 GLY H 1 21 ARG HB3 . . 5.340 5.322 5.052 5.419 0.079 1 0 "[ . 1 . 2]" 1
44 1 19 CYS HB2 1 20 GLY H . . 4.600 4.422 4.354 4.518 . 0 0 "[ . 1 . 2]" 1
45 1 18 ALA HA 1 20 GLY H . . 4.470 4.231 4.035 4.374 . 0 0 "[ . 1 . 2]" 1
46 1 17 CYS HB3 1 20 GLY H . . 4.490 4.509 4.393 4.576 0.086 14 0 "[ . 1 . 2]" 1
47 1 20 GLY H 1 21 ARG HB2 . . 5.340 5.266 5.079 5.426 0.086 20 0 "[ . 1 . 2]" 1
48 1 19 CYS H 1 20 GLY H . . 3.070 2.028 1.790 2.303 . 0 0 "[ . 1 . 2]" 1
49 1 17 CYS H 1 20 GLY H . . 4.730 2.977 2.796 3.219 . 0 0 "[ . 1 . 2]" 1
50 1 18 ALA MB 1 20 GLY H . . 4.520 4.597 4.541 4.630 0.110 18 0 "[ . 1 . 2]" 1
51 1 14 CYS H 1 15 ASN H . . 2.940 2.646 2.106 2.918 . 0 0 "[ . 1 . 2]" 1
52 1 15 ASN H 1 16 PRO HD2 . . 4.480 4.118 3.801 4.369 . 0 0 "[ . 1 . 2]" 1
53 1 4 THR MG 1 15 ASN H . . 5.500 5.243 4.769 5.588 0.088 5 0 "[ . 1 . 2]" 1
54 1 13 GLY H 1 15 ASN H . . 4.640 4.537 4.276 4.705 0.065 18 0 "[ . 1 . 2]" 1
55 1 3 HIS HA 1 11 HIS HE1 . . 4.750 4.838 4.827 4.847 0.097 7 0 "[ . 1 . 2]" 1
56 1 3 HIS QB 1 11 HIS HE1 . . 2.790 2.033 1.985 2.081 . 0 0 "[ . 1 . 2]" 1
57 1 5 THR MG 1 11 HIS HE1 . . 3.120 2.988 2.779 3.185 0.065 3 0 "[ . 1 . 2]" 1
58 1 3 HIS HA 1 4 THR H . . 3.120 2.552 2.361 2.785 . 0 0 "[ . 1 . 2]" 1
59 1 4 THR H 1 17 CYS HA . . 4.370 3.742 3.373 4.273 . 0 0 "[ . 1 . 2]" 1
60 1 4 THR H 1 5 THR MG . . 4.310 4.078 3.954 4.233 . 0 0 "[ . 1 . 2]" 1
61 1 4 THR H 1 4 THR HG1 . . 3.700 2.451 2.069 2.933 . 0 0 "[ . 1 . 2]" 1
62 1 4 THR H 1 5 THR H . . 4.460 4.363 3.812 4.490 0.030 8 0 "[ . 1 . 2]" 1
63 1 8 CYS HA 1 43 CYS H . . 5.270 5.350 5.331 5.363 0.093 12 0 "[ . 1 . 2]" 1
64 1 8 CYS HB2 1 43 CYS H . . 5.180 5.268 5.257 5.277 0.097 20 0 "[ . 1 . 2]" 1
65 1 43 CYS H 1 47 GLY H . . 5.390 5.338 4.911 5.471 0.081 12 0 "[ . 1 . 2]" 1
66 1 43 CYS H 1 46 CYS HB2 . . 4.370 4.105 3.861 4.312 . 0 0 "[ . 1 . 2]" 1
67 1 5 THR MG 1 11 HIS HD2 . . 4.310 3.971 3.766 4.263 . 0 0 "[ . 1 . 2]" 1
68 1 49 ALA HA 1 50 THR MG . . 4.590 4.383 3.666 4.691 0.101 5 0 "[ . 1 . 2]" 1
69 1 21 ARG HA 1 21 ARG QG . . 3.940 2.466 2.282 2.711 . 0 0 "[ . 1 . 2]" 1
70 1 43 CYS HB2 1 44 ALA H . . 5.300 4.368 4.233 4.521 . 0 0 "[ . 1 . 2]" 1
71 1 44 ALA H 1 44 ALA MB . . 3.560 2.214 2.180 2.268 . 0 0 "[ . 1 . 2]" 1
72 1 21 ARG H 1 21 ARG QG . . 4.100 4.042 3.890 4.203 0.103 14 0 "[ . 1 . 2]" 1
73 1 17 CYS HB3 1 21 ARG H . . 5.500 5.579 5.561 5.592 0.092 3 0 "[ . 1 . 2]" 1
74 1 19 CYS HA 1 21 ARG H . . 5.140 4.497 4.210 5.209 0.069 14 0 "[ . 1 . 2]" 1
75 1 26 SER HA 1 28 ARG H . . 4.830 3.865 3.222 4.630 . 0 0 "[ . 1 . 2]" 1
76 1 22 GLU HB3 1 23 GLY H . . 4.600 4.136 2.935 4.636 0.036 3 0 "[ . 1 . 2]" 1
77 1 22 GLU HA 1 23 GLY H . . 3.250 2.869 2.077 3.343 0.093 14 0 "[ . 1 . 2]" 1
78 1 22 GLU HB2 1 23 GLY H . . 4.600 3.634 2.344 4.407 . 0 0 "[ . 1 . 2]" 1
79 1 28 ARG HB2 1 28 ARG QD . . 3.640 2.800 2.193 3.531 . 0 0 "[ . 1 . 2]" 1
80 1 14 CYS H 1 14 CYS QB . . 2.770 2.432 2.212 2.721 . 0 0 "[ . 1 . 2]" 1
81 1 15 ASN HA 1 15 ASN HD22 . . 4.330 3.886 3.718 4.379 0.049 16 0 "[ . 1 . 2]" 1
82 1 14 CYS H 1 35 CYS HA . . 4.790 4.836 4.532 4.884 0.094 4 0 "[ . 1 . 2]" 1
83 1 6 CYS HB2 1 14 CYS H . . 4.900 4.860 4.600 4.981 0.081 9 0 "[ . 1 . 2]" 1
84 1 5 THR HG1 1 15 ASN HD22 . . 5.500 5.554 5.435 5.581 0.081 5 0 "[ . 1 . 2]" 1
85 1 6 CYS HA 1 15 ASN HD22 . . 4.510 3.611 3.117 4.593 0.083 16 0 "[ . 1 . 2]" 1
86 1 15 ASN QB 1 15 ASN HD22 . . 3.340 3.283 3.193 3.344 0.004 1 0 "[ . 1 . 2]" 1
87 1 15 ASN HD22 1 16 PRO HD2 . . 5.500 5.479 5.302 5.577 0.077 6 0 "[ . 1 . 2]" 1
88 1 4 THR MG 1 15 ASN HD22 . . 3.170 3.110 2.481 3.266 0.096 7 0 "[ . 1 . 2]" 1
89 1 5 THR H 1 15 ASN HD22 . . 4.470 4.058 3.847 4.544 0.074 16 0 "[ . 1 . 2]" 1
90 1 13 GLY H 1 14 CYS H . . 3.310 2.819 2.593 3.118 . 0 0 "[ . 1 . 2]" 1
91 1 14 CYS H 1 16 PRO HD3 . . 5.500 5.388 4.832 5.576 0.076 4 0 "[ . 1 . 2]" 1
92 1 51 ALA MB 1 52 PRO HG2 . . 3.810 3.796 3.582 3.913 0.103 2 0 "[ . 1 . 2]" 1
93 1 24 THR MG 1 25 PRO QD . . 3.310 2.672 2.258 3.356 0.046 8 0 "[ . 1 . 2]" 1
94 1 24 THR HA 1 24 THR MG . . 3.210 2.362 2.196 2.672 . 0 0 "[ . 1 . 2]" 1
95 1 24 THR HA 1 24 THR HG1 . . 3.640 2.868 2.289 3.549 . 0 0 "[ . 1 . 2]" 1
96 1 11 HIS HB2 1 12 CYS H . . 4.710 4.570 4.409 4.678 . 0 0 "[ . 1 . 2]" 1
97 1 11 HIS HB3 1 12 CYS H . . 4.010 3.652 3.367 3.875 . 0 0 "[ . 1 . 2]" 1
98 1 12 CYS H 1 14 CYS H . . 4.740 4.475 3.923 4.824 0.084 16 0 "[ . 1 . 2]" 1
99 1 5 THR MG 1 12 CYS H . . 4.330 4.143 3.772 4.424 0.094 3 0 "[ . 1 . 2]" 1
100 1 10 GLU HA 1 10 GLU HG3 . . 4.060 3.388 2.290 4.126 0.066 13 0 "[ . 1 . 2]" 1
101 1 10 GLU H 1 11 HIS H . . 4.320 4.210 3.936 4.405 0.085 13 0 "[ . 1 . 2]" 1
102 1 10 GLU H 1 10 GLU HB2 . . 3.600 3.539 3.061 3.706 0.106 15 0 "[ . 1 . 2]" 1
103 1 5 THR HB 1 10 GLU H . . 3.940 2.715 2.298 3.483 . 0 0 "[ . 1 . 2]" 1
104 1 5 THR MG 1 10 GLU H . . 4.900 4.093 3.680 4.628 . 0 0 "[ . 1 . 2]" 1
105 1 5 THR HG1 1 10 GLU H . . 5.080 4.015 3.680 4.705 . 0 0 "[ . 1 . 2]" 1
106 1 10 GLU H 1 10 GLU HG2 . . 4.630 4.299 3.788 4.724 0.094 17 0 "[ . 1 . 2]" 1
107 1 24 THR HA 1 25 PRO QD . . 3.000 1.997 1.948 2.058 . 0 0 "[ . 1 . 2]" 1
108 1 24 THR H 1 36 SER HB2 . . 4.600 3.924 2.821 4.687 0.087 17 0 "[ . 1 . 2]" 1
109 1 24 THR H 1 24 THR HG1 . . 3.770 2.987 2.224 3.837 0.067 17 0 "[ . 1 . 2]" 1
110 1 24 THR H 1 25 PRO QD . . 5.020 4.050 2.917 4.344 . 0 0 "[ . 1 . 2]" 1
111 1 24 THR H 1 24 THR HB . . 3.180 2.679 2.395 3.269 0.089 17 0 "[ . 1 . 2]" 1
112 1 38 GLY H 1 39 ALA MB . . 5.370 3.992 3.048 5.475 0.105 12 0 "[ . 1 . 2]" 1
113 1 28 ARG HA 1 28 ARG QG . . 3.610 3.029 2.263 3.533 . 0 0 "[ . 1 . 2]" 1
114 1 6 CYS H 1 15 ASN H . . 5.500 5.568 5.538 5.588 0.088 15 0 "[ . 1 . 2]" 1
115 1 6 CYS H 1 15 ASN QB . . 3.910 3.281 3.068 3.766 . 0 0 "[ . 1 . 2]" 1
116 1 32 ARG H 1 33 ALA H . . 4.680 3.032 2.757 3.248 . 0 0 "[ . 1 . 2]" 1
117 1 31 ARG QG 1 32 ARG H . . 4.300 4.011 3.392 4.347 0.047 17 0 "[ . 1 . 2]" 1
118 1 32 ARG H 1 32 ARG QD . . 3.910 3.702 2.837 4.031 0.121 19 0 "[ . 1 . 2]" 1
119 1 8 CYS HB3 1 9 GLY H . . 4.230 4.298 4.233 4.318 0.088 5 0 "[ . 1 . 2]" 1
120 1 32 ARG H 1 32 ARG QG . . 4.080 3.524 2.776 4.048 . 0 0 "[ . 1 . 2]" 1
121 1 32 ARG H 1 35 CYS HB2 . . 3.830 3.702 3.274 3.916 0.086 12 0 "[ . 1 . 2]" 1
122 1 5 THR HG1 1 9 GLY H . . 4.080 4.145 4.095 4.169 0.089 14 0 "[ . 1 . 2]" 1
123 1 32 ARG H 1 32 ARG HB3 . . 3.240 3.151 2.874 3.322 0.082 12 0 "[ . 1 . 2]" 1
124 1 22 GLU H 1 22 GLU HG2 . . 4.400 2.899 2.065 4.295 . 0 0 "[ . 1 . 2]" 1
125 1 29 ALA HA 1 30 ASN H . . 3.150 2.565 2.180 3.240 0.090 14 0 "[ . 1 . 2]" 1
126 1 21 ARG QD 1 22 GLU H . . 4.830 3.797 2.490 4.908 0.078 8 0 "[ . 1 . 2]" 1
127 1 13 GLY H 1 35 CYS H . . 5.500 5.399 5.035 5.588 0.088 9 0 "[ . 1 . 2]" 1
128 1 32 ARG HA 1 32 ARG QD . . 3.730 2.684 1.921 3.839 0.109 18 0 "[ . 1 . 2]" 1
129 1 8 CYS HB3 1 41 CYS HA . . 3.650 2.375 2.039 2.673 . 0 0 "[ . 1 . 2]" 1
130 1 28 ARG H 1 28 ARG QG . . 3.380 2.478 1.964 3.131 . 0 0 "[ . 1 . 2]" 1
131 1 32 ARG HB2 1 32 ARG QD . . 3.440 2.668 2.269 3.401 . 0 0 "[ . 1 . 2]" 1
132 1 3 HIS H 1 11 HIS HE1 . . 5.110 4.131 3.499 4.960 . 0 0 "[ . 1 . 2]" 1
133 1 3 HIS H 1 5 THR MG . . 4.880 3.277 2.873 3.673 . 0 0 "[ . 1 . 2]" 1
134 1 29 ALA MB 1 30 ASN H . . 3.220 2.462 1.727 3.330 0.110 16 0 "[ . 1 . 2]" 1
135 1 31 ARG HB3 1 35 CYS HB2 . . 4.360 3.141 2.434 3.735 . 0 0 "[ . 1 . 2]" 1
136 1 31 ARG HB2 1 35 CYS HB2 . . 4.360 4.081 3.390 4.427 0.067 13 0 "[ . 1 . 2]" 1
137 1 18 ALA H 1 20 GLY H . . 5.200 4.301 4.229 4.393 . 0 0 "[ . 1 . 2]" 1
138 1 4 THR H 1 18 ALA H . . 4.970 4.345 3.950 4.765 . 0 0 "[ . 1 . 2]" 1
139 1 18 ALA H 1 19 CYS H . . 3.760 2.983 2.855 3.107 . 0 0 "[ . 1 . 2]" 1
140 1 4 THR HG1 1 18 ALA H . . 4.880 4.603 3.805 4.954 0.074 15 0 "[ . 1 . 2]" 1
141 1 18 ALA H 1 18 ALA MB . . 3.050 2.149 1.990 2.221 . 0 0 "[ . 1 . 2]" 1
142 1 39 ALA H 1 39 ALA MB . . 3.470 2.273 2.118 2.685 . 0 0 "[ . 1 . 2]" 1
143 1 35 CYS HB3 1 37 CYS H . . 4.570 4.433 4.045 4.669 0.099 4 0 "[ . 1 . 2]" 1
144 1 37 CYS H 1 38 GLY H . . 4.830 4.787 4.272 4.887 0.057 8 0 "[ . 1 . 2]" 1
145 1 36 SER HB3 1 37 CYS H . . 4.670 3.826 2.773 4.312 . 0 0 "[ . 1 . 2]" 1
146 1 24 THR MG 1 26 SER H . . 5.280 5.075 3.841 5.389 0.109 7 0 "[ . 1 . 2]" 1
147 1 45 SER H 1 45 SER QB . . 2.860 2.492 2.106 2.906 0.046 11 0 "[ . 1 . 2]" 1
148 1 45 SER H 1 47 GLY H . . 4.360 4.184 3.971 4.332 . 0 0 "[ . 1 . 2]" 1
149 1 44 ALA MB 1 45 SER H . . 3.030 2.582 2.272 2.793 . 0 0 "[ . 1 . 2]" 1
150 1 45 SER H 1 46 CYS HB2 . . 5.180 4.944 4.766 5.054 . 0 0 "[ . 1 . 2]" 1
151 1 5 THR HA 1 5 THR MG . . 3.080 2.270 2.163 2.444 . 0 0 "[ . 1 . 2]" 1
152 1 32 ARG HB3 1 32 ARG QD . . 3.440 2.805 2.323 3.382 . 0 0 "[ . 1 . 2]" 1
153 1 51 ALA MB 1 53 GLY H . . 5.280 3.769 2.304 5.377 0.097 10 0 "[ . 1 . 2]" 1
154 1 46 CYS HB3 1 47 GLY H . . 4.370 3.796 3.484 4.156 . 0 0 "[ . 1 . 2]" 1
155 1 45 SER HA 1 47 GLY H . . 5.420 4.574 4.232 4.943 . 0 0 "[ . 1 . 2]" 1
156 1 47 GLY H 1 48 SER HA . . 5.500 5.118 4.497 5.354 . 0 0 "[ . 1 . 2]" 1
157 1 44 ALA MB 1 47 GLY H . . 4.970 4.274 4.084 4.408 . 0 0 "[ . 1 . 2]" 1
158 1 44 ALA HA 1 47 GLY H . . 3.840 2.925 2.712 3.141 . 0 0 "[ . 1 . 2]" 1
159 1 46 CYS HB2 1 47 GLY H . . 4.000 3.071 2.709 3.373 . 0 0 "[ . 1 . 2]" 1
160 1 22 GLU HA 1 22 GLU HG3 . . 4.200 3.820 3.081 4.235 0.035 17 0 "[ . 1 . 2]" 1
161 1 21 ARG HB2 1 21 ARG QD . . 3.690 2.996 2.526 3.423 . 0 0 "[ . 1 . 2]" 1
162 1 35 CYS HB3 1 36 SER H . . 4.360 4.405 4.320 4.440 0.080 18 0 "[ . 1 . 2]" 1
163 1 36 SER H 1 36 SER HB2 . . 3.830 3.135 2.333 3.543 . 0 0 "[ . 1 . 2]" 1
164 1 6 CYS HB2 1 7 GLY H . . 4.350 4.400 4.316 4.432 0.082 14 0 "[ . 1 . 2]" 1
165 1 32 ARG HB3 1 35 CYS H . . 4.770 4.529 3.928 4.853 0.083 12 0 "[ . 1 . 2]" 1
166 1 35 CYS H 1 37 CYS H . . 5.500 5.388 5.124 5.587 0.087 12 0 "[ . 1 . 2]" 1
167 1 31 ARG HB2 1 35 CYS H . . 4.240 3.731 2.856 4.198 . 0 0 "[ . 1 . 2]" 1
168 1 33 ALA HA 1 35 CYS H . . 4.000 3.823 3.474 4.090 0.090 12 0 "[ . 1 . 2]" 1
169 1 33 ALA MB 1 35 CYS H . . 4.720 4.693 4.212 4.833 0.113 16 0 "[ . 1 . 2]" 1
170 1 19 CYS H 1 19 CYS HB2 . . 3.820 3.849 3.790 3.884 0.064 20 0 "[ . 1 . 2]" 1
171 1 19 CYS H 1 21 ARG H . . 4.560 4.112 3.885 4.615 0.055 14 0 "[ . 1 . 2]" 1
172 1 17 CYS HB2 1 19 CYS H . . 4.010 2.719 2.567 2.910 . 0 0 "[ . 1 . 2]" 1
173 1 18 ALA MB 1 19 CYS H . . 3.170 3.081 2.889 3.234 0.064 18 0 "[ . 1 . 2]" 1
174 1 19 CYS H 1 20 GLY HA3 . . 4.790 4.669 4.429 4.862 0.072 14 0 "[ . 1 . 2]" 1
175 1 28 ARG HB3 1 28 ARG QD . . 3.640 2.679 2.302 3.620 . 0 0 "[ . 1 . 2]" 1
176 1 31 ARG H 1 49 ALA MB . . 4.790 4.544 3.763 4.894 0.104 10 0 "[ . 1 . 2]" 1
177 1 31 ARG H 1 31 ARG HB2 . . 3.780 2.736 2.460 3.029 . 0 0 "[ . 1 . 2]" 1
178 1 39 ALA MB 1 40 ALA H . . 3.950 2.778 2.082 3.408 . 0 0 "[ . 1 . 2]" 1
179 1 40 ALA H 1 40 ALA MB . . 3.590 2.416 2.206 2.739 . 0 0 "[ . 1 . 2]" 1
180 1 3 HIS HD2 1 11 HIS HE1 . . 5.230 5.219 5.033 5.312 0.082 10 0 "[ . 1 . 2]" 1
181 1 6 CYS HA 1 15 ASN QB . . 3.790 3.424 2.406 3.754 . 0 0 "[ . 1 . 2]" 1
182 1 15 ASN QB 1 16 PRO HD2 . . 4.210 4.049 3.872 4.194 . 0 0 "[ . 1 . 2]" 1
183 1 3 HIS HA 1 3 HIS HE1 . . 5.470 5.387 5.198 5.531 0.061 12 0 "[ . 1 . 2]" 1
184 1 3 HIS HE1 1 19 CYS HB2 . . 3.630 3.683 3.602 3.707 0.077 12 0 "[ . 1 . 2]" 1
185 1 3 HIS QB 1 3 HIS HE1 . . 4.460 4.439 4.406 4.473 0.013 18 0 "[ . 1 . 2]" 1
186 1 3 HIS HE1 1 19 CYS HA . . 3.960 3.889 3.685 4.008 0.048 16 0 "[ . 1 . 2]" 1
187 1 3 HIS HE1 1 19 CYS H . . 4.120 2.503 2.122 2.850 . 0 0 "[ . 1 . 2]" 1
188 1 21 ARG HA 1 21 ARG QD . . 4.590 3.897 3.317 4.264 . 0 0 "[ . 1 . 2]" 1
189 1 39 ALA MB 1 41 CYS H . . 5.040 4.705 4.219 5.081 0.041 15 0 "[ . 1 . 2]" 1
190 1 8 CYS HB3 1 41 CYS H . . 5.200 5.015 4.728 5.239 0.039 12 0 "[ . 1 . 2]" 1
191 1 39 ALA HA 1 41 CYS H . . 4.510 4.311 3.662 4.599 0.089 13 0 "[ . 1 . 2]" 1
192 1 40 ALA MB 1 41 CYS H . . 3.770 3.731 3.648 3.804 0.034 14 0 "[ . 1 . 2]" 1
193 1 8 CYS HB2 1 41 CYS H . . 5.200 4.856 4.424 5.172 . 0 0 "[ . 1 . 2]" 1
194 1 32 ARG HB3 1 33 ALA H . . 4.100 3.926 2.034 4.191 0.091 12 0 "[ . 1 . 2]" 1
195 1 17 CYS H 1 20 GLY HA3 . . 4.580 4.216 3.837 4.620 0.040 13 0 "[ . 1 . 2]" 1
196 1 17 CYS H 1 17 CYS HB3 . . 3.690 3.244 2.868 3.412 . 0 0 "[ . 1 . 2]" 1
197 1 17 CYS H 1 19 CYS H . . 4.640 4.028 3.741 4.290 . 0 0 "[ . 1 . 2]" 1
198 1 17 CYS H 1 17 CYS HB2 . . 3.840 3.663 3.527 3.735 . 0 0 "[ . 1 . 2]" 1
199 1 31 ARG HA 1 31 ARG QD . . 3.920 3.223 2.310 4.028 0.108 8 0 "[ . 1 . 2]" 1
200 1 15 ASN HA 1 16 PRO HD2 . . 3.050 2.090 2.045 2.141 . 0 0 "[ . 1 . 2]" 1
201 1 4 THR HA 1 4 THR MG . . 2.960 2.236 2.141 2.429 . 0 0 "[ . 1 . 2]" 1
202 1 4 THR MG 1 15 ASN QB . . 3.020 2.424 2.085 3.095 0.075 16 0 "[ . 1 . 2]" 1
203 1 5 THR H 1 5 THR MG . . 3.150 3.106 2.577 3.232 0.082 18 0 "[ . 1 . 2]" 1
204 1 5 THR H 1 5 THR HG1 . . 3.360 2.774 2.377 3.050 . 0 0 "[ . 1 . 2]" 1
205 1 4 THR MG 1 5 THR H . . 3.700 3.245 2.793 3.798 0.098 16 0 "[ . 1 . 2]" 1
206 1 10 GLU HA 1 10 GLU HG2 . . 4.060 3.374 2.818 3.873 . 0 0 "[ . 1 . 2]" 1
207 1 15 ASN HA 1 16 PRO HD3 . . 3.010 2.861 2.667 3.069 0.059 5 0 "[ . 1 . 2]" 1
208 1 15 ASN QB 1 16 PRO HD3 . . 4.520 4.539 4.381 4.609 0.089 16 0 "[ . 1 . 2]" 1
209 1 48 SER HB2 1 49 ALA H . . 4.900 3.669 1.861 4.599 . 0 0 "[ . 1 . 2]" 1
210 1 51 ALA H 1 51 ALA MB . . 3.540 2.553 2.187 3.094 . 0 0 "[ . 1 . 2]" 1
211 1 49 ALA H 1 49 ALA MB . . 3.300 2.715 2.237 3.219 . 0 0 "[ . 1 . 2]" 1
212 1 50 THR H 1 51 ALA H . . 5.500 3.291 2.041 4.492 . 0 0 "[ . 1 . 2]" 1
213 1 6 CYS HB3 1 7 GLY H . . 5.410 4.042 3.931 4.157 . 0 0 "[ . 1 . 2]" 1
214 1 25 PRO QD 1 26 SER H . . 5.440 4.913 4.619 5.025 . 0 0 "[ . 1 . 2]" 1
215 1 4 THR H 1 11 HIS HE1 . . 5.150 5.127 5.000 5.217 0.067 2 0 "[ . 1 . 2]" 1
216 1 34 ASN H 1 34 ASN HD21 . . 5.180 3.849 2.377 4.611 . 0 0 "[ . 1 . 2]" 1
217 1 5 THR H 1 15 ASN HD21 . . 3.880 3.614 3.230 3.952 0.072 14 0 "[ . 1 . 2]" 1
218 1 34 ASN H 1 34 ASN HD22 . . 5.180 4.612 3.292 5.242 0.062 16 0 "[ . 1 . 2]" 1
219 1 16 PRO HD3 1 17 CYS H . . 5.500 5.453 5.218 5.547 0.047 4 0 "[ . 1 . 2]" 1
220 1 28 ARG H 1 29 ALA HA . . 5.380 5.229 4.588 5.471 0.091 8 0 "[ . 1 . 2]" 1
221 1 34 ASN H 1 35 CYS HB2 . . 5.410 4.233 3.993 4.866 . 0 0 "[ . 1 . 2]" 1
222 1 17 CYS H 1 18 ALA MB . . 5.500 5.551 5.369 5.603 0.103 6 0 "[ . 1 . 2]" 1
223 1 49 ALA H 1 50 THR MG . . 5.100 3.800 2.097 5.192 0.092 19 0 "[ . 1 . 2]" 1
224 1 50 THR MG 1 51 ALA H . . 5.320 3.717 1.878 4.523 . 0 0 "[ . 1 . 2]" 1
225 1 4 THR MG 1 15 ASN HD21 . . 3.100 1.730 1.583 2.320 . 0 0 "[ . 1 . 2]" 1
226 1 3 HIS HD2 1 4 THR HG1 . . 5.500 5.502 5.097 5.586 0.086 10 0 "[ . 1 . 2]" 1
227 1 29 ALA MB 1 30 ASN HD21 . . 4.680 4.255 3.141 4.767 0.087 20 0 "[ . 1 . 2]" 1
228 1 33 ALA MB 1 34 ASN HD21 . . 4.510 3.874 2.868 4.606 0.096 9 0 "[ . 1 . 2]" 1
229 1 29 ALA MB 1 30 ASN HD22 . . 4.680 4.421 3.492 4.784 0.104 18 0 "[ . 1 . 2]" 1
230 1 33 ALA MB 1 34 ASN HD22 . . 4.510 3.890 3.166 4.571 0.061 16 0 "[ . 1 . 2]" 1
231 1 15 ASN QB 1 15 ASN HD21 . . 3.020 2.299 2.153 2.416 . 0 0 "[ . 1 . 2]" 1
232 1 42 ASN QB 1 42 ASN HD22 . . 3.520 3.307 3.216 3.428 . 0 0 "[ . 1 . 2]" 1
233 1 4 THR HB 1 15 ASN HD21 . . 3.870 3.872 3.522 3.953 0.083 19 0 "[ . 1 . 2]" 1
234 1 6 CYS HA 1 15 ASN HD21 . . 5.050 4.526 3.753 5.011 . 0 0 "[ . 1 . 2]" 1
235 1 12 CYS HA 1 14 CYS H . . 4.430 4.123 3.942 4.446 0.016 6 0 "[ . 1 . 2]" 1
236 1 4 THR HA 1 15 ASN HD22 . . 4.730 4.754 3.829 4.815 0.085 2 0 "[ . 1 . 2]" 1
237 1 34 ASN HA 1 34 ASN HD21 . . 4.860 3.218 2.011 4.409 . 0 0 "[ . 1 . 2]" 1
238 1 4 THR HA 1 15 ASN HD21 . . 4.620 3.757 3.145 4.160 . 0 0 "[ . 1 . 2]" 1
239 1 34 ASN HA 1 34 ASN HD22 . . 4.860 4.023 3.469 4.941 0.081 7 0 "[ . 1 . 2]" 1
240 1 15 ASN HA 1 15 ASN HD21 . . 4.790 3.009 2.810 4.233 . 0 0 "[ . 1 . 2]" 1
241 1 42 ASN HA 1 42 ASN HD22 . . 5.260 4.603 3.661 5.357 0.097 3 0 "[ . 1 . 2]" 1
242 1 11 HIS H 1 11 HIS HE1 . . 5.500 5.535 5.386 5.589 0.089 20 0 "[ . 1 . 2]" 1
243 1 3 HIS HD2 1 4 THR H . . 4.800 4.063 3.791 4.291 . 0 0 "[ . 1 . 2]" 1
244 1 51 ALA HA 1 52 PRO HG3 . . 4.560 4.616 4.532 4.634 0.074 20 0 "[ . 1 . 2]" 1
245 1 44 ALA MB 1 45 SER QB . . 4.430 4.284 3.608 4.546 0.116 6 0 "[ . 1 . 2]" 1
246 1 14 CYS QB 1 45 SER QB . . 2.680 2.488 2.007 2.794 0.114 20 0 "[ . 1 . 2]" 1
247 1 8 CYS HB2 1 41 CYS HA . . 3.650 2.838 2.644 3.091 . 0 0 "[ . 1 . 2]" 1
248 1 16 PRO HA 1 17 CYS HB3 . . 5.390 4.722 4.556 4.963 . 0 0 "[ . 1 . 2]" 1
249 1 17 CYS HB3 1 20 GLY HA2 . . 5.500 5.225 4.904 5.569 0.069 14 0 "[ . 1 . 2]" 1
250 1 14 CYS HA 1 16 PRO HD3 . . 5.010 3.899 3.544 4.198 . 0 0 "[ . 1 . 2]" 1
251 1 25 PRO QG 1 34 ASN HA . . 3.840 3.013 2.277 3.895 0.055 14 0 "[ . 1 . 2]" 1
252 1 24 THR HA 1 25 PRO HB3 . . 4.960 4.894 4.651 5.022 0.062 9 0 "[ . 1 . 2]" 1
253 1 24 THR HA 1 25 PRO HB2 . . 5.490 5.567 5.538 5.576 0.086 13 0 "[ . 1 . 2]" 1
254 1 14 CYS HA 1 15 ASN QB . . 5.020 5.097 4.918 5.135 0.115 14 0 "[ . 1 . 2]" 1
255 1 4 THR HA 1 15 ASN QB . . 4.890 3.969 3.581 4.638 . 0 0 "[ . 1 . 2]" 1
256 1 24 THR MG 1 25 PRO HB3 . . 5.460 5.345 5.048 5.560 0.100 6 0 "[ . 1 . 2]" 1
257 1 24 THR MG 1 25 PRO QG . . 4.450 3.880 3.306 4.365 . 0 0 "[ . 1 . 2]" 1
258 1 29 ALA MB 1 31 ARG QD . . 4.000 2.929 1.959 4.105 0.105 18 0 "[ . 1 . 2]" 1
259 1 5 THR HG1 1 9 GLY QA . . 4.100 3.425 3.120 3.675 . 0 0 "[ . 1 . 2]" 1
260 1 5 THR MG 1 11 HIS HA . . 3.830 2.376 2.110 2.692 . 0 0 "[ . 1 . 2]" 1
261 1 5 THR HG1 1 6 CYS HB3 . . 5.250 5.196 4.923 5.321 0.071 4 0 "[ . 1 . 2]" 1
262 1 3 HIS QB 1 5 THR MG . . 3.070 2.640 2.422 2.900 . 0 0 "[ . 1 . 2]" 1
263 1 40 ALA HA 1 41 CYS HA . . 5.500 4.462 4.310 4.691 . 0 0 "[ . 1 . 2]" 1
264 1 20 GLY HA2 1 21 ARG H . . 3.310 3.065 2.655 3.299 . 0 0 "[ . 1 . 2]" 1
265 1 21 ARG H 1 21 ARG HB2 . . 3.040 2.592 2.346 3.100 0.060 2 0 "[ . 1 . 2]" 1
266 1 17 CYS HB2 1 21 ARG H . . 5.410 5.237 5.140 5.365 . 0 0 "[ . 1 . 2]" 1
267 1 21 ARG H 1 21 ARG QD . . 4.720 4.475 4.010 4.823 0.103 20 0 "[ . 1 . 2]" 1
268 1 21 ARG H 1 21 ARG HB3 . . 3.040 2.553 2.284 2.722 . 0 0 "[ . 1 . 2]" 1
269 1 19 CYS HB2 1 21 ARG H . . 4.640 4.068 3.771 4.699 0.059 14 0 "[ . 1 . 2]" 1
270 1 42 ASN HA 1 47 GLY H . . 5.500 5.564 5.461 5.595 0.095 3 0 "[ . 1 . 2]" 1
271 1 47 GLY H 1 48 SER H . . 2.820 2.606 2.416 2.889 0.069 3 0 "[ . 1 . 2]" 1
272 1 11 HIS H 1 12 CYS H . . 4.550 4.528 4.377 4.616 0.066 4 0 "[ . 1 . 2]" 1
273 1 6 CYS HB2 1 12 CYS H . . 4.360 3.721 3.481 3.957 . 0 0 "[ . 1 . 2]" 1
274 1 6 CYS H 1 12 CYS H . . 3.180 3.222 3.116 3.278 0.098 9 0 "[ . 1 . 2]" 1
275 1 5 THR HA 1 12 CYS H . . 3.860 3.295 3.111 3.498 . 0 0 "[ . 1 . 2]" 1
276 1 12 CYS H 1 12 CYS HB3 . . 3.420 2.870 2.689 3.132 . 0 0 "[ . 1 . 2]" 1
277 1 11 HIS HA 1 12 CYS H . . 2.760 2.217 2.150 2.289 . 0 0 "[ . 1 . 2]" 1
278 1 12 CYS H 1 13 GLY HA2 . . 5.250 4.842 4.645 5.046 . 0 0 "[ . 1 . 2]" 1
279 1 12 CYS H 1 12 CYS HB2 . . 3.280 3.167 2.897 3.340 0.060 1 0 "[ . 1 . 2]" 1
280 1 6 CYS HB3 1 12 CYS H . . 4.920 4.902 4.660 5.000 0.080 9 0 "[ . 1 . 2]" 1
281 1 11 HIS HD2 1 12 CYS H . . 4.790 4.305 3.590 4.646 . 0 0 "[ . 1 . 2]" 1
282 1 12 CYS H 1 15 ASN QB . . 4.880 3.190 2.773 4.237 . 0 0 "[ . 1 . 2]" 1
283 1 12 CYS H 1 15 ASN H . . 4.750 4.067 3.858 4.448 . 0 0 "[ . 1 . 2]" 1
284 1 14 CYS QB 1 15 ASN H . . 3.880 3.936 3.859 3.967 0.087 7 0 "[ . 1 . 2]" 1
285 1 13 GLY HA3 1 15 ASN H . . 4.350 4.305 4.131 4.443 0.093 5 0 "[ . 1 . 2]" 1
286 1 15 ASN H 1 16 PRO HD3 . . 3.740 3.400 3.120 3.734 . 0 0 "[ . 1 . 2]" 1
287 1 15 ASN H 1 16 PRO HA . . 4.590 4.240 4.066 4.430 . 0 0 "[ . 1 . 2]" 1
288 1 12 CYS HB3 1 15 ASN H . . 4.320 4.076 3.473 4.410 0.090 6 0 "[ . 1 . 2]" 1
289 1 15 ASN H 1 15 ASN QB . . 3.000 2.612 2.503 2.792 . 0 0 "[ . 1 . 2]" 1
290 1 13 GLY HA2 1 15 ASN H . . 4.360 3.416 3.269 3.602 . 0 0 "[ . 1 . 2]" 1
291 1 8 CYS HB2 1 9 GLY H . . 4.230 4.309 4.290 4.329 0.099 8 0 "[ . 1 . 2]" 1
292 1 5 THR HB 1 9 GLY H . . 4.210 4.275 4.170 4.300 0.090 3 0 "[ . 1 . 2]" 1
293 1 6 CYS HB3 1 9 GLY H . . 4.190 3.608 3.173 3.957 . 0 0 "[ . 1 . 2]" 1
294 1 33 ALA H 1 33 ALA HA . . 2.820 2.303 2.203 2.877 0.057 19 0 "[ . 1 . 2]" 1
295 1 32 ARG HB2 1 33 ALA H . . 4.100 4.072 3.047 4.195 0.095 20 0 "[ . 1 . 2]" 1
296 1 33 ALA H 1 33 ALA MB . . 3.020 2.890 2.723 3.137 0.117 13 0 "[ . 1 . 2]" 1
297 1 10 GLU H 1 10 GLU HG3 . . 4.630 4.650 4.298 4.733 0.103 8 0 "[ . 1 . 2]" 1
298 1 6 CYS HB2 1 10 GLU H . . 3.900 3.939 3.741 3.996 0.096 9 0 "[ . 1 . 2]" 1
299 1 10 GLU H 1 10 GLU HB3 . . 3.600 2.783 2.426 3.058 . 0 0 "[ . 1 . 2]" 1
300 1 9 GLY QA 1 10 GLU H . . 3.220 2.805 2.625 3.080 . 0 0 "[ . 1 . 2]" 1
301 1 6 CYS HB3 1 10 GLU H . . 3.640 2.595 2.336 2.741 . 0 0 "[ . 1 . 2]" 1
302 1 31 ARG HB3 1 32 ARG H . . 3.190 2.177 1.909 2.593 . 0 0 "[ . 1 . 2]" 1
303 1 31 ARG QD 1 32 ARG H . . 4.650 4.371 3.520 4.755 0.105 12 0 "[ . 1 . 2]" 1
304 1 32 ARG H 1 32 ARG HB2 . . 3.240 1.991 1.789 2.106 . 0 0 "[ . 1 . 2]" 1
305 1 31 ARG HB2 1 32 ARG H . . 3.190 3.062 2.449 3.264 0.074 13 0 "[ . 1 . 2]" 1
306 1 31 ARG HA 1 32 ARG H . . 2.850 2.628 2.281 2.847 . 0 0 "[ . 1 . 2]" 1
307 1 32 ARG H 1 35 CYS HB3 . . 4.030 3.890 3.128 4.117 0.087 18 0 "[ . 1 . 2]" 1
308 1 21 ARG QG 1 22 GLU H . . 4.020 2.547 2.053 3.458 . 0 0 "[ . 1 . 2]" 1
309 1 21 ARG HA 1 22 GLU H . . 2.590 2.198 2.041 2.296 . 0 0 "[ . 1 . 2]" 1
310 1 22 GLU H 1 22 GLU HG3 . . 4.400 3.374 2.620 4.094 . 0 0 "[ . 1 . 2]" 1
311 1 33 ALA H 1 34 ASN H . . 4.250 2.843 2.492 3.260 . 0 0 "[ . 1 . 2]" 1
312 1 33 ALA HA 1 34 ASN H . . 3.290 3.120 2.042 3.378 0.088 13 0 "[ . 1 . 2]" 1
313 1 34 ASN H 1 34 ASN HB3 . . 4.160 3.711 3.206 4.043 . 0 0 "[ . 1 . 2]" 1
314 1 34 ASN H 1 35 CYS HB3 . . 4.580 4.351 4.040 4.681 0.101 14 0 "[ . 1 . 2]" 1
315 1 33 ALA MB 1 34 ASN H . . 3.620 3.343 2.525 3.558 . 0 0 "[ . 1 . 2]" 1
316 1 25 PRO HB2 1 34 ASN H . . 5.040 4.240 3.508 4.846 . 0 0 "[ . 1 . 2]" 1
317 1 34 ASN H 1 34 ASN HB2 . . 4.160 2.702 2.391 3.791 . 0 0 "[ . 1 . 2]" 1
318 1 10 GLU HB2 1 11 HIS H . . 4.340 3.729 2.739 4.430 0.090 4 0 "[ . 1 . 2]" 1
319 1 11 HIS H 1 11 HIS HB2 . . 2.890 2.087 1.983 2.214 . 0 0 "[ . 1 . 2]" 1
320 1 5 THR HB 1 11 HIS H . . 4.900 3.848 3.149 4.141 . 0 0 "[ . 1 . 2]" 1
321 1 11 HIS H 1 21 ARG QD . . 5.500 5.261 4.412 5.598 0.098 9 0 "[ . 1 . 2]" 1
322 1 10 GLU HB3 1 11 HIS H . . 4.340 4.288 4.030 4.423 0.083 20 0 "[ . 1 . 2]" 1
323 1 10 GLU HA 1 11 HIS H . . 2.720 2.185 2.090 2.246 . 0 0 "[ . 1 . 2]" 1
324 1 24 THR H 1 36 SER HB3 . . 4.600 4.325 3.366 4.688 0.088 16 0 "[ . 1 . 2]" 1
325 1 6 CYS H 1 11 HIS H . . 5.160 4.565 4.302 4.770 . 0 0 "[ . 1 . 2]" 1
326 1 6 CYS H 1 6 CYS HB2 . . 2.960 2.211 2.155 2.285 . 0 0 "[ . 1 . 2]" 1
327 1 5 THR HA 1 6 CYS H . . 2.850 2.326 2.124 2.453 . 0 0 "[ . 1 . 2]" 1
328 1 6 CYS H 1 12 CYS HB3 . . 3.820 3.573 3.351 3.882 0.062 11 0 "[ . 1 . 2]" 1
329 1 5 THR HB 1 6 CYS H . . 2.720 2.523 2.292 2.717 . 0 0 "[ . 1 . 2]" 1
330 1 5 THR MG 1 6 CYS H . . 4.030 3.587 3.438 3.797 . 0 0 "[ . 1 . 2]" 1
331 1 5 THR HG1 1 6 CYS H . . 4.370 3.950 3.722 4.102 . 0 0 "[ . 1 . 2]" 1
332 1 6 CYS H 1 12 CYS HB2 . . 3.880 3.872 3.461 3.978 0.098 16 0 "[ . 1 . 2]" 1
333 1 6 CYS H 1 7 GLY H . . 5.090 4.609 4.509 4.746 . 0 0 "[ . 1 . 2]" 1
334 1 6 CYS H 1 6 CYS HB3 . . 2.880 2.500 2.402 2.645 . 0 0 "[ . 1 . 2]" 1
335 1 6 CYS H 1 11 HIS HA . . 3.680 3.210 2.876 3.476 . 0 0 "[ . 1 . 2]" 1
336 1 6 CYS H 1 9 GLY QA . . 5.020 5.087 4.870 5.120 0.100 7 0 "[ . 1 . 2]" 1
337 1 6 CYS H 1 10 GLU HA . . 5.330 4.723 4.579 4.976 . 0 0 "[ . 1 . 2]" 1
338 1 26 SER QB 1 28 ARG H . . 3.900 3.592 3.042 3.996 0.096 14 0 "[ . 1 . 2]" 1
339 1 28 ARG H 1 28 ARG HB3 . . 3.960 3.254 2.518 3.906 . 0 0 "[ . 1 . 2]" 1
340 1 28 ARG H 1 29 ALA H . . 5.020 2.969 2.084 3.941 . 0 0 "[ . 1 . 2]" 1
341 1 28 ARG H 1 28 ARG QD . . 4.560 4.135 3.832 4.445 . 0 0 "[ . 1 . 2]" 1
342 1 28 ARG H 1 28 ARG HB2 . . 3.960 3.109 2.326 3.962 0.002 10 0 "[ . 1 . 2]" 1
343 1 38 GLY H 1 39 ALA H . . 5.500 2.551 1.536 4.269 . 0 0 "[ . 1 . 2]" 1
344 1 36 SER H 1 37 CYS H . . 3.130 2.492 2.097 2.838 . 0 0 "[ . 1 . 2]" 1
345 1 36 SER HB2 1 37 CYS H . . 4.670 3.948 3.300 4.378 . 0 0 "[ . 1 . 2]" 1
346 1 12 CYS HB2 1 37 CYS H . . 5.170 4.253 3.547 4.906 . 0 0 "[ . 1 . 2]" 1
347 1 35 CYS HA 1 37 CYS H . . 3.950 3.298 3.132 3.506 . 0 0 "[ . 1 . 2]" 1
348 1 3 HIS H 1 3 HIS QB . . 3.040 2.498 2.112 2.887 . 0 0 "[ . 1 . 2]" 1
349 1 2 GLU HA 1 3 HIS H . . 2.970 2.589 2.124 3.053 0.083 2 0 "[ . 1 . 2]" 1
350 1 3 HIS H 1 4 THR H . . 4.820 4.528 4.341 4.749 . 0 0 "[ . 1 . 2]" 1
351 1 4 THR HB 1 18 ALA H . . 5.260 4.912 4.335 5.271 0.011 13 0 "[ . 1 . 2]" 1
352 1 17 CYS HB3 1 18 ALA H . . 5.040 3.692 3.541 3.818 . 0 0 "[ . 1 . 2]" 1
353 1 17 CYS HA 1 18 ALA H . . 3.120 2.403 2.318 2.499 . 0 0 "[ . 1 . 2]" 1
354 1 34 ASN HA 1 35 CYS H . . 3.510 3.223 2.975 3.508 . 0 0 "[ . 1 . 2]" 1
355 1 31 ARG HB3 1 35 CYS H . . 4.240 3.968 3.378 4.322 0.082 9 0 "[ . 1 . 2]" 1
356 1 32 ARG H 1 35 CYS H . . 4.180 4.178 3.750 4.275 0.095 15 0 "[ . 1 . 2]" 1
357 1 34 ASN H 1 35 CYS H . . 3.310 2.267 1.771 2.918 . 0 0 "[ . 1 . 2]" 1
358 1 35 CYS H 1 35 CYS HB2 . . 2.940 2.890 2.477 3.026 0.086 11 0 "[ . 1 . 2]" 1
359 1 32 ARG HB2 1 35 CYS H . . 4.770 4.683 4.031 4.861 0.091 6 0 "[ . 1 . 2]" 1
360 1 35 CYS H 1 36 SER H . . 4.670 4.084 3.629 4.576 . 0 0 "[ . 1 . 2]" 1
361 1 31 ARG QG 1 35 CYS H . . 5.280 4.908 4.051 5.373 0.093 16 0 "[ . 1 . 2]" 1
362 1 35 CYS H 1 35 CYS HB3 . . 2.920 2.540 2.084 2.729 . 0 0 "[ . 1 . 2]" 1
363 1 25 PRO HB2 1 35 CYS H . . 4.520 3.501 2.698 4.586 0.066 14 0 "[ . 1 . 2]" 1
364 1 35 CYS H 1 36 SER HA . . 5.370 5.115 4.755 5.421 0.051 16 0 "[ . 1 . 2]" 1
365 1 35 CYS HB2 1 36 SER H . . 4.470 4.487 4.328 4.549 0.079 4 0 "[ . 1 . 2]" 1
366 1 12 CYS HA 1 36 SER H . . 4.120 3.609 3.162 4.141 0.021 16 0 "[ . 1 . 2]" 1
367 1 36 SER H 1 36 SER HB3 . . 3.830 2.474 2.273 2.851 . 0 0 "[ . 1 . 2]" 1
368 1 12 CYS HB2 1 36 SER H . . 4.800 4.462 3.860 4.873 0.073 19 0 "[ . 1 . 2]" 1
369 1 35 CYS HA 1 36 SER H . . 2.650 2.212 2.040 2.363 . 0 0 "[ . 1 . 2]" 1
370 1 20 GLY H 1 21 ARG H . . 3.070 3.039 2.919 3.147 0.077 7 0 "[ . 1 . 2]" 1
371 1 17 CYS HB2 1 20 GLY H . . 3.670 3.753 3.741 3.761 0.091 20 0 "[ . 1 . 2]" 1
372 1 19 CYS HB3 1 20 GLY H . . 4.410 4.227 4.067 4.329 . 0 0 "[ . 1 . 2]" 1
373 1 20 GLY H 1 20 GLY HA3 . . 2.820 2.730 2.665 2.794 . 0 0 "[ . 1 . 2]" 1
374 1 19 CYS H 1 19 CYS HB3 . . 2.840 2.906 2.836 2.932 0.092 6 0 "[ . 1 . 2]" 1
375 1 17 CYS HB3 1 19 CYS H . . 4.480 4.158 4.023 4.264 . 0 0 "[ . 1 . 2]" 1
376 1 19 CYS H 1 20 GLY HA2 . . 4.970 4.247 4.045 4.542 . 0 0 "[ . 1 . 2]" 1
377 1 4 THR H 1 19 CYS H . . 5.500 5.559 5.468 5.582 0.082 20 0 "[ . 1 . 2]" 1
378 1 40 ALA HA 1 41 CYS H . . 3.550 2.536 2.309 2.978 . 0 0 "[ . 1 . 2]" 1
379 1 41 CYS H 1 41 CYS QB . . 2.700 2.418 2.018 2.782 0.082 2 0 "[ . 1 . 2]" 1
380 1 40 ALA H 1 41 CYS H . . 4.090 3.549 2.977 3.922 . 0 0 "[ . 1 . 2]" 1
381 1 31 ARG H 1 31 ARG HB3 . . 3.780 3.726 3.648 3.864 0.084 12 0 "[ . 1 . 2]" 1
382 1 31 ARG H 1 32 ARG H . . 4.610 4.531 4.368 4.682 0.072 19 0 "[ . 1 . 2]" 1
383 1 29 ALA HA 1 31 ARG H . . 4.570 4.357 4.039 4.654 0.084 4 0 "[ . 1 . 2]" 1
384 1 30 ASN H 1 31 ARG H . . 3.740 3.141 2.342 3.737 . 0 0 "[ . 1 . 2]" 1
385 1 30 ASN HA 1 31 ARG H . . 3.390 3.003 2.334 3.376 . 0 0 "[ . 1 . 2]" 1
386 1 31 ARG H 1 31 ARG QD . . 4.640 3.166 1.828 4.639 . 0 0 "[ . 1 . 2]" 1
387 1 29 ALA MB 1 31 ARG H . . 3.630 2.994 2.508 3.719 0.089 12 0 "[ . 1 . 2]" 1
388 1 31 ARG H 1 31 ARG QG . . 3.790 2.605 2.015 3.679 . 0 0 "[ . 1 . 2]" 1
389 1 38 GLY H 1 40 ALA H . . 5.500 5.226 3.706 5.602 0.102 3 0 "[ . 1 . 2]" 1
390 1 26 SER H 1 26 SER QB . . 3.390 2.560 2.126 3.277 . 0 0 "[ . 1 . 2]" 1
391 1 26 SER H 1 28 ARG H . . 5.500 5.355 4.634 5.587 0.087 18 0 "[ . 1 . 2]" 1
392 1 26 SER H 1 37 CYS H . . 5.500 5.213 4.583 5.591 0.091 19 0 "[ . 1 . 2]" 1
393 1 25 PRO HB2 1 26 SER H . . 4.040 3.185 2.356 4.094 0.054 1 0 "[ . 1 . 2]" 1
394 1 26 SER H 1 36 SER H . . 5.440 4.807 4.100 5.269 . 0 0 "[ . 1 . 2]" 1
395 1 25 PRO QG 1 26 SER H . . 4.890 4.452 3.940 4.786 . 0 0 "[ . 1 . 2]" 1
396 1 26 SER H 1 36 SER HA . . 3.320 2.943 2.241 3.403 0.083 11 0 "[ . 1 . 2]" 1
397 1 29 ALA H 1 30 ASN HA . . 4.880 4.792 3.933 4.955 0.075 12 0 "[ . 1 . 2]" 1
398 1 28 ARG HA 1 29 ALA H . . 3.100 2.935 2.293 3.178 0.078 9 0 "[ . 1 . 2]" 1
399 1 29 ALA H 1 29 ALA MB . . 3.440 2.685 2.309 2.953 . 0 0 "[ . 1 . 2]" 1
400 1 21 ARG QG 1 23 GLY H . . 4.850 3.389 1.920 4.932 0.082 12 0 "[ . 1 . 2]" 1
401 1 11 HIS HB3 1 23 GLY H . . 4.850 4.279 3.693 4.923 0.073 19 0 "[ . 1 . 2]" 1
402 1 22 GLU H 1 23 GLY H . . 4.140 2.933 1.751 4.202 0.062 18 0 "[ . 1 . 2]" 1
403 1 22 GLU HG3 1 23 GLY H . . 5.410 4.334 3.111 5.481 0.071 5 0 "[ . 1 . 2]" 1
404 1 22 GLU HG2 1 23 GLY H . . 5.410 4.268 2.692 5.478 0.068 10 0 "[ . 1 . 2]" 1
405 1 25 PRO QG 1 27 GLY H . . 5.140 4.277 3.317 5.208 0.068 14 0 "[ . 1 . 2]" 1
406 1 25 PRO HB2 1 27 GLY H . . 4.800 3.790 2.245 4.861 0.061 1 0 "[ . 1 . 2]" 1
407 1 4 THR HB 1 5 THR H . . 4.390 4.183 3.941 4.372 . 0 0 "[ . 1 . 2]" 1
408 1 5 THR H 1 15 ASN QB . . 4.330 3.509 3.029 4.433 0.103 16 0 "[ . 1 . 2]" 1
409 1 5 THR H 1 5 THR HB . . 4.180 3.769 3.570 3.879 . 0 0 "[ . 1 . 2]" 1
410 1 4 THR HA 1 5 THR H . . 2.490 2.172 2.113 2.295 . 0 0 "[ . 1 . 2]" 1
411 1 13 GLY H 1 37 CYS H . . 5.500 5.529 5.277 5.608 0.108 12 0 "[ . 1 . 2]" 1
412 1 13 GLY H 1 13 GLY HA3 . . 2.930 2.272 2.204 2.335 . 0 0 "[ . 1 . 2]" 1
413 1 12 CYS HB3 1 13 GLY H . . 4.210 3.733 3.296 3.963 . 0 0 "[ . 1 . 2]" 1
414 1 13 GLY H 1 36 SER H . . 4.530 3.853 3.232 4.478 . 0 0 "[ . 1 . 2]" 1
415 1 12 CYS HA 1 13 GLY H . . 2.880 2.400 2.295 2.548 . 0 0 "[ . 1 . 2]" 1
416 1 12 CYS HB2 1 13 GLY H . . 4.050 4.090 4.015 4.135 0.085 16 0 "[ . 1 . 2]" 1
417 1 13 GLY H 1 14 CYS QB . . 4.540 4.644 4.636 4.662 0.122 3 0 "[ . 1 . 2]" 1
418 1 13 GLY H 1 35 CYS HA . . 4.330 3.387 3.008 3.672 . 0 0 "[ . 1 . 2]" 1
419 1 38 GLY H 1 41 CYS H . . 5.500 5.533 5.147 5.595 0.095 10 0 "[ . 1 . 2]" 1
420 1 37 CYS HA 1 38 GLY H . . 2.950 2.444 1.956 2.712 . 0 0 "[ . 1 . 2]" 1
421 1 46 CYS H 1 46 CYS HB3 . . 3.750 3.631 3.520 3.742 . 0 0 "[ . 1 . 2]" 1
422 1 43 CYS HB2 1 46 CYS H . . 4.520 4.597 4.514 4.616 0.096 16 0 "[ . 1 . 2]" 1
423 1 43 CYS HB3 1 46 CYS H . . 3.450 3.487 3.275 3.544 0.094 14 0 "[ . 1 . 2]" 1
424 1 44 ALA MB 1 46 CYS H . . 4.300 4.229 4.100 4.349 0.049 4 0 "[ . 1 . 2]" 1
425 1 14 CYS QB 1 46 CYS H . . 4.810 4.836 4.560 4.915 0.105 19 0 "[ . 1 . 2]" 1
426 1 44 ALA HA 1 48 SER H . . 4.580 3.658 3.133 4.599 0.019 9 0 "[ . 1 . 2]" 1
427 1 48 SER H 1 49 ALA MB . . 4.950 4.833 4.243 5.036 0.086 6 0 "[ . 1 . 2]" 1
428 1 8 CYS H 1 8 CYS HB3 . . 3.720 2.577 2.489 2.765 . 0 0 "[ . 1 . 2]" 1
429 1 8 CYS H 1 43 CYS HB3 . . 4.620 4.695 4.650 4.715 0.095 2 0 "[ . 1 . 2]" 1
430 1 7 GLY H 1 8 CYS H . . 4.000 3.094 2.948 3.348 . 0 0 "[ . 1 . 2]" 1
431 1 6 CYS HB3 1 8 CYS H . . 3.620 3.122 2.950 3.257 . 0 0 "[ . 1 . 2]" 1
432 1 8 CYS H 1 43 CYS H . . 4.890 4.778 4.548 4.951 0.061 16 0 "[ . 1 . 2]" 1
433 1 8 CYS H 1 8 CYS HB2 . . 3.720 3.625 3.560 3.738 0.018 5 0 "[ . 1 . 2]" 1
434 1 8 CYS H 1 9 GLY QA . . 4.510 4.524 4.315 4.602 0.092 14 0 "[ . 1 . 2]" 1
435 1 41 CYS QB 1 42 ASN H . . 4.480 3.898 3.642 4.057 . 0 0 "[ . 1 . 2]" 1
436 1 41 CYS HA 1 42 ASN H . . 3.570 2.171 2.031 2.357 . 0 0 "[ . 1 . 2]" 1
437 1 3 HIS QB 1 4 THR H . . 3.140 2.715 2.447 2.980 . 0 0 "[ . 1 . 2]" 1
438 1 4 THR H 1 4 THR HB . . 3.240 2.772 2.394 3.023 . 0 0 "[ . 1 . 2]" 1
439 1 4 THR H 1 17 CYS HB2 . . 3.420 2.891 2.715 3.048 . 0 0 "[ . 1 . 2]" 1
440 1 4 THR H 1 17 CYS HB3 . . 4.470 2.408 2.223 2.653 . 0 0 "[ . 1 . 2]" 1
441 1 43 CYS H 1 44 ALA H . . 5.060 4.565 4.475 4.633 . 0 0 "[ . 1 . 2]" 1
442 1 8 CYS HB3 1 43 CYS H . . 5.180 3.755 3.640 3.825 . 0 0 "[ . 1 . 2]" 1
443 1 43 CYS H 1 46 CYS HB3 . . 5.500 5.547 5.347 5.590 0.090 6 0 "[ . 1 . 2]" 1
444 1 43 CYS H 1 43 CYS HB2 . . 2.760 2.710 2.471 2.838 0.078 17 0 "[ . 1 . 2]" 1
445 1 41 CYS H 1 43 CYS H . . 5.500 5.522 5.314 5.587 0.087 17 0 "[ . 1 . 2]" 1
446 1 41 CYS HA 1 43 CYS H . . 4.080 3.373 3.064 3.634 . 0 0 "[ . 1 . 2]" 1
447 1 42 ASN HA 1 43 CYS H . . 3.320 3.324 3.144 3.398 0.078 17 0 "[ . 1 . 2]" 1
448 1 43 CYS H 1 43 CYS HB3 . . 2.710 2.323 2.103 2.501 . 0 0 "[ . 1 . 2]" 1
449 1 44 ALA H 1 45 SER H . . 4.590 2.993 2.843 3.154 . 0 0 "[ . 1 . 2]" 1
450 1 14 CYS QB 1 45 SER H . . 5.080 5.045 4.876 5.184 0.104 3 0 "[ . 1 . 2]" 1
451 1 45 SER H 1 46 CYS H . . 3.170 2.762 2.675 2.844 . 0 0 "[ . 1 . 2]" 1
452 1 43 CYS HB3 1 45 SER H . . 4.570 4.651 4.635 4.664 0.094 10 0 "[ . 1 . 2]" 1
453 1 17 CYS H 1 18 ALA H . . 4.550 4.408 4.268 4.474 . 0 0 "[ . 1 . 2]" 1
454 1 16 PRO HA 1 17 CYS H . . 2.670 2.159 2.054 2.230 . 0 0 "[ . 1 . 2]" 1
455 1 17 CYS H 1 20 GLY HA2 . . 2.920 2.715 2.349 2.987 0.067 7 0 "[ . 1 . 2]" 1
456 1 4 THR MG 1 17 CYS H . . 5.370 4.967 4.604 5.118 . 0 0 "[ . 1 . 2]" 1
457 1 4 THR H 1 17 CYS H . . 5.500 5.566 5.316 5.591 0.091 3 0 "[ . 1 . 2]" 1
458 1 14 CYS H 1 15 ASN HA . . 5.270 5.223 4.741 5.360 0.090 13 0 "[ . 1 . 2]" 1
459 1 12 CYS HB3 1 14 CYS H . . 3.480 3.030 2.569 3.504 0.024 16 0 "[ . 1 . 2]" 1
460 1 14 CYS H 1 15 ASN QB . . 4.700 4.254 3.666 4.583 . 0 0 "[ . 1 . 2]" 1
461 1 48 SER HB3 1 49 ALA H . . 4.900 3.653 2.422 4.392 . 0 0 "[ . 1 . 2]" 1
462 1 49 ALA H 1 50 THR H . . 5.280 2.715 1.596 4.642 . 0 0 "[ . 1 . 2]" 1
463 1 2 GLU HA 1 2 GLU QG . . 3.500 2.773 2.258 3.579 0.079 7 0 "[ . 1 . 2]" 1
464 1 2 GLU QG 1 3 HIS H . . 4.390 3.418 1.585 4.468 0.078 6 0 "[ . 1 . 2]" 1
465 1 5 THR HB 1 10 GLU QB . . 4.730 4.595 4.239 4.787 0.057 9 0 "[ . 1 . 2]" 1
466 1 5 THR HB 1 10 GLU QG . . 5.340 5.092 4.755 5.410 0.070 12 0 "[ . 1 . 2]" 1
467 1 6 CYS H 1 10 GLU QB . . 4.880 4.571 3.910 4.964 0.084 13 0 "[ . 1 . 2]" 1
468 1 8 CYS H 1 8 CYS QB . . 3.180 2.525 2.443 2.696 . 0 0 "[ . 1 . 2]" 1
469 1 8 CYS QB 1 10 GLU H . . 5.320 4.787 4.448 5.102 . 0 0 "[ . 1 . 2]" 1
470 1 8 CYS QB 1 41 CYS H . . 4.530 4.391 4.061 4.617 0.087 17 0 "[ . 1 . 2]" 1
471 1 8 CYS QB 1 41 CYS HA . . 3.160 2.254 1.985 2.449 . 0 0 "[ . 1 . 2]" 1
472 1 8 CYS QB 1 42 ASN H . . 4.440 3.434 3.180 3.650 . 0 0 "[ . 1 . 2]" 1
473 1 8 CYS QB 1 43 CYS H . . 4.490 3.678 3.578 3.739 . 0 0 "[ . 1 . 2]" 1
474 1 10 GLU H 1 10 GLU QB . . 2.830 2.671 2.376 2.880 0.050 3 0 "[ . 1 . 2]" 1
475 1 10 GLU QB 1 11 HIS H . . 3.810 3.456 2.696 3.890 0.080 17 0 "[ . 1 . 2]" 1
476 1 10 GLU QB 1 37 CYS HA . . 4.830 4.235 3.623 4.572 . 0 0 "[ . 1 . 2]" 1
477 1 10 GLU QG 1 11 HIS H . . 3.270 2.972 2.652 3.284 0.014 17 0 "[ . 1 . 2]" 1
478 1 10 GLU QG 1 37 CYS HA . . 3.810 3.182 2.347 3.893 0.083 4 0 "[ . 1 . 2]" 1
479 1 10 GLU QG 1 38 GLY H . . 5.150 4.958 4.136 5.264 0.114 1 0 "[ . 1 . 2]" 1
480 1 12 CYS H 1 22 GLU QB . . 5.340 4.308 3.580 5.431 0.091 9 0 "[ . 1 . 2]" 1
481 1 13 GLY H 1 34 ASN QB . . 4.830 3.629 3.153 4.411 . 0 0 "[ . 1 . 2]" 1
482 1 15 ASN HA 1 16 PRO QB . . 5.020 4.819 4.767 4.855 . 0 0 "[ . 1 . 2]" 1
483 1 16 PRO QB 1 17 CYS H . . 3.510 3.321 3.067 3.598 0.088 14 0 "[ . 1 . 2]" 1
484 1 20 GLY H 1 21 ARG QB . . 4.710 4.711 4.513 4.801 0.091 11 0 "[ . 1 . 2]" 1
485 1 21 ARG HA 1 22 GLU QB . . 4.600 4.473 4.229 4.702 0.102 8 0 "[ . 1 . 2]" 1
486 1 21 ARG QB 1 21 ARG QD . . 3.170 2.278 2.138 2.542 . 0 0 "[ . 1 . 2]" 1
487 1 21 ARG QB 1 22 GLU H . . 3.900 3.646 3.406 3.985 0.085 5 0 "[ . 1 . 2]" 1
488 1 21 ARG QD 1 23 GLY QA . . 4.880 3.889 2.757 4.978 0.098 15 0 "[ . 1 . 2]" 1
489 1 22 GLU H 1 22 GLU QB . . 3.280 3.066 2.618 3.347 0.067 20 0 "[ . 1 . 2]" 1
490 1 22 GLU H 1 22 GLU QG . . 3.730 2.624 2.048 3.270 . 0 0 "[ . 1 . 2]" 1
491 1 22 GLU HA 1 22 GLU QG . . 3.580 3.224 2.468 3.546 . 0 0 "[ . 1 . 2]" 1
492 1 22 GLU QG 1 23 GLY H . . 4.700 3.685 2.539 4.582 . 0 0 "[ . 1 . 2]" 1
493 1 23 GLY H 1 36 SER QB . . 5.340 3.693 1.897 4.954 . 0 0 "[ . 1 . 2]" 1
494 1 23 GLY QA 1 24 THR H . . 2.770 2.343 2.160 2.827 0.057 8 0 "[ . 1 . 2]" 1
495 1 23 GLY QA 1 36 SER QB . . 3.930 2.831 2.409 3.268 . 0 0 "[ . 1 . 2]" 1
496 1 24 THR H 1 36 SER QB . . 3.890 3.619 2.685 3.988 0.098 10 0 "[ . 1 . 2]" 1
497 1 26 SER H 1 36 SER QB . . 5.020 4.493 3.591 5.105 0.085 11 0 "[ . 1 . 2]" 1
498 1 26 SER HA 1 27 GLY QA . . 5.040 4.192 3.974 4.499 . 0 0 "[ . 1 . 2]" 1
499 1 27 GLY QA 1 28 ARG QB . . 5.100 4.472 4.072 4.752 . 0 0 "[ . 1 . 2]" 1
500 1 28 ARG H 1 28 ARG QB . . 3.210 2.602 2.299 3.292 0.082 10 0 "[ . 1 . 2]" 1
501 1 28 ARG QB 1 29 ALA H . . 4.240 3.927 3.495 4.156 . 0 0 "[ . 1 . 2]" 1
502 1 28 ARG QB 1 29 ALA MB . . 4.980 4.265 3.678 4.948 . 0 0 "[ . 1 . 2]" 1
503 1 29 ALA MB 1 30 ASN QD . . 4.100 3.831 2.926 4.216 0.116 15 0 "[ . 1 . 2]" 1
504 1 30 ASN HA 1 30 ASN QD . . 4.390 3.938 2.251 4.385 . 0 0 "[ . 1 . 2]" 1
505 1 30 ASN QB 1 30 ASN QD . . 3.030 2.259 2.123 2.684 . 0 0 "[ . 1 . 2]" 1
506 1 31 ARG QB 1 32 ARG H . . 2.600 2.126 1.896 2.494 . 0 0 "[ . 1 . 2]" 1
507 1 31 ARG QB 1 32 ARG HA . . 4.750 4.380 4.261 4.558 . 0 0 "[ . 1 . 2]" 1
508 1 31 ARG QB 1 33 ALA H . . 3.600 2.924 2.498 3.690 0.090 19 0 "[ . 1 . 2]" 1
509 1 31 ARG QB 1 34 ASN H . . 4.540 4.075 3.824 4.633 0.093 14 0 "[ . 1 . 2]" 1
510 1 31 ARG QB 1 35 CYS HB2 . . 3.660 3.030 2.383 3.351 . 0 0 "[ . 1 . 2]" 1
511 1 31 ARG QB 1 35 CYS HB3 . . 3.760 2.375 2.017 2.718 . 0 0 "[ . 1 . 2]" 1
512 1 31 ARG QB 1 46 CYS HA . . 4.910 4.851 4.124 5.009 0.099 1 0 "[ . 1 . 2]" 1
513 1 32 ARG H 1 32 ARG QB . . 2.580 1.969 1.777 2.069 . 0 0 "[ . 1 . 2]" 1
514 1 32 ARG QB 1 33 ALA MB . . 5.340 4.257 3.164 4.436 . 0 0 "[ . 1 . 2]" 1
515 1 32 ARG QB 1 34 ASN H . . 4.870 2.956 2.488 4.952 0.082 19 0 "[ . 1 . 2]" 1
516 1 32 ARG QB 1 35 CYS H . . 4.100 4.071 3.571 4.217 0.117 2 0 "[ . 1 . 2]" 1
517 1 32 ARG QB 1 35 CYS HB2 . . 4.240 3.770 3.088 4.283 0.043 5 0 "[ . 1 . 2]" 1
518 1 34 ASN H 1 34 ASN QB . . 3.450 2.609 2.359 3.477 0.027 19 0 "[ . 1 . 2]" 1
519 1 34 ASN HA 1 34 ASN QD . . 4.140 3.035 1.999 4.068 . 0 0 "[ . 1 . 2]" 1
520 1 34 ASN QB 1 34 ASN QD . . 3.050 2.407 2.071 2.703 . 0 0 "[ . 1 . 2]" 1
521 1 34 ASN QB 1 35 CYS H . . 4.380 3.609 3.050 3.991 . 0 0 "[ . 1 . 2]" 1
522 1 35 CYS H 1 36 SER QB . . 5.340 5.360 5.199 5.443 0.103 12 0 "[ . 1 . 2]" 1
523 1 36 SER H 1 36 SER QB . . 3.250 2.358 2.129 2.738 . 0 0 "[ . 1 . 2]" 1
524 1 36 SER H 1 37 CYS QB . . 4.710 4.672 4.196 4.811 0.101 5 0 "[ . 1 . 2]" 1
525 1 36 SER QB 1 37 CYS H . . 4.100 3.412 2.717 3.778 . 0 0 "[ . 1 . 2]" 1
526 1 37 CYS H 1 37 CYS QB . . 2.950 2.557 2.262 2.748 . 0 0 "[ . 1 . 2]" 1
527 1 37 CYS QB 1 38 GLY H . . 3.160 2.600 1.957 3.264 0.104 19 0 "[ . 1 . 2]" 1
528 1 42 ASN HA 1 42 ASN QD . . 4.460 3.781 2.359 4.387 . 0 0 "[ . 1 . 2]" 1
529 1 42 ASN QB 1 42 ASN QD . . 3.000 2.293 2.223 2.476 . 0 0 "[ . 1 . 2]" 1
530 1 46 CYS H 1 47 GLY QA . . 4.500 4.052 3.810 4.228 . 0 0 "[ . 1 . 2]" 1
531 1 47 GLY QA 1 48 SER H . . 3.000 2.693 2.479 2.989 . 0 0 "[ . 1 . 2]" 1
532 1 48 SER H 1 48 SER QB . . 3.250 2.446 2.057 3.129 . 0 0 "[ . 1 . 2]" 1
533 1 48 SER QB 1 49 ALA H . . 4.220 3.124 1.852 3.994 . 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 61
_Distance_constraint_stats_list.Viol_count 724
_Distance_constraint_stats_list.Viol_total 1885.796
_Distance_constraint_stats_list.Viol_max 0.316
_Distance_constraint_stats_list.Viol_rms 0.0970
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0773
_Distance_constraint_stats_list.Viol_average_violations_only 0.1302
_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 HIS 11.078 0.283 7 0 "[ . 1 . 2]"
1 6 CYS 12.447 0.300 4 0 "[ . 1 . 2]"
1 8 CYS 5.883 0.246 17 0 "[ . 1 . 2]"
1 11 HIS 7.745 0.261 2 0 "[ . 1 . 2]"
1 12 CYS 8.969 0.316 15 0 "[ . 1 . 2]"
1 14 CYS 8.179 0.302 14 0 "[ . 1 . 2]"
1 17 CYS 3.762 0.131 14 0 "[ . 1 . 2]"
1 19 CYS 9.012 0.298 18 0 "[ . 1 . 2]"
1 35 CYS 8.203 0.312 6 0 "[ . 1 . 2]"
1 37 CYS 13.677 0.315 8 0 "[ . 1 . 2]"
1 41 CYS 4.019 0.274 1 0 "[ . 1 . 2]"
1 43 CYS 5.034 0.163 6 0 "[ . 1 . 2]"
1 46 CYS 12.300 0.307 11 0 "[ . 1 . 2]"
2 1 ZN 18.629 0.298 18 0 "[ . 1 . 2]"
3 1 ZN 17.950 0.315 8 0 "[ . 1 . 2]"
4 1 ZN 20.002 0.305 9 0 "[ . 1 . 2]"
5 1 ZN 21.692 0.316 15 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 17 CYS SG 2 1 ZN ZN . . 2.300 2.368 2.336 2.390 0.090 12 0 "[ . 1 . 2]" 2
2 1 19 CYS SG 2 1 ZN ZN . . 2.300 2.333 2.261 2.360 0.060 14 0 "[ . 1 . 2]" 2
3 1 17 CYS CB 2 1 ZN ZN . . 3.300 3.300 3.225 3.431 0.131 14 0 "[ . 1 . 2]" 2
4 1 19 CYS CB 2 1 ZN ZN . . 3.300 3.582 3.541 3.598 0.298 18 0 "[ . 1 . 2]" 2
5 1 11 HIS NE2 2 1 ZN ZN . . 2.000 1.964 1.927 2.003 0.003 13 0 "[ . 1 . 2]" 2
6 1 11 HIS CD2 2 1 ZN ZN . . 2.900 2.858 2.814 2.961 0.061 14 0 "[ . 1 . 2]" 2
7 1 11 HIS CE1 2 1 ZN ZN . . 2.900 3.079 3.028 3.161 0.261 2 0 "[ . 1 . 2]" 2
8 1 3 HIS ND1 2 1 ZN ZN . . 2.000 2.028 1.986 2.055 0.055 6 0 "[ . 1 . 2]" 2
9 1 3 HIS CG 2 1 ZN ZN . . 2.900 3.133 3.062 3.183 0.283 7 0 "[ . 1 . 2]" 2
10 1 3 HIS CE1 2 1 ZN ZN . . 2.900 2.978 2.931 3.029 0.129 2 0 "[ . 1 . 2]" 2
11 1 17 CYS SG 1 19 CYS SG . . 3.770 3.681 3.668 3.708 . 0 0 "[ . 1 . 2]" 2
12 1 3 HIS ND1 1 11 HIS NE2 . . 3.270 3.364 3.350 3.374 0.104 1 0 "[ . 1 . 2]" 2
13 1 3 HIS ND1 1 17 CYS SG . . 3.510 3.562 3.420 3.619 0.109 15 0 "[ . 1 . 2]" 2
14 1 11 HIS NE2 1 17 CYS SG . . 3.510 3.513 3.431 3.604 0.094 14 0 "[ . 1 . 2]" 2
15 1 3 HIS ND1 1 19 CYS SG . . 3.510 3.558 3.445 3.611 0.101 2 0 "[ . 1 . 2]" 2
16 1 11 HIS NE2 1 19 CYS SG . . 3.510 3.580 3.434 3.623 0.113 10 0 "[ . 1 . 2]" 2
17 1 6 CYS SG 3 1 ZN ZN . . 2.300 2.365 2.269 2.403 0.103 1 0 "[ . 1 . 2]" 2
18 1 37 CYS SG 3 1 ZN ZN . . 2.300 2.213 2.187 2.318 0.018 9 0 "[ . 1 . 2]" 2
19 1 8 CYS SG 3 1 ZN ZN . . 2.300 2.328 2.237 2.399 0.099 16 0 "[ . 1 . 2]" 2
20 1 41 CYS SG 3 1 ZN ZN . . 2.300 2.339 2.246 2.396 0.096 5 0 "[ . 1 . 2]" 2
21 1 6 CYS SG 4 1 ZN ZN . . 2.300 2.281 2.209 2.362 0.062 9 0 "[ . 1 . 2]" 2
22 1 46 CYS SG 4 1 ZN ZN . . 2.300 2.271 2.237 2.330 0.030 17 0 "[ . 1 . 2]" 2
23 1 14 CYS SG 4 1 ZN ZN . . 2.300 2.271 2.226 2.363 0.063 6 0 "[ . 1 . 2]" 2
24 1 43 CYS SG 4 1 ZN ZN . . 2.300 2.365 2.322 2.401 0.101 6 0 "[ . 1 . 2]" 2
25 1 37 CYS SG 5 1 ZN ZN . . 2.300 2.282 2.228 2.361 0.061 17 0 "[ . 1 . 2]" 2
26 1 46 CYS SG 5 1 ZN ZN . . 2.300 2.266 2.225 2.351 0.051 20 0 "[ . 1 . 2]" 2
27 1 12 CYS SG 5 1 ZN ZN . . 2.300 2.316 2.241 2.391 0.091 19 0 "[ . 1 . 2]" 2
28 1 35 CYS SG 5 1 ZN ZN . . 2.300 2.350 2.241 2.406 0.106 5 0 "[ . 1 . 2]" 2
29 3 1 ZN ZN 4 1 ZN ZN . . 3.750 3.839 3.691 3.951 0.201 11 0 "[ . 1 . 2]" 2
30 3 1 ZN ZN 5 1 ZN ZN . . 3.750 3.662 3.647 3.685 . 0 0 "[ . 1 . 2]" 2
31 4 1 ZN ZN 5 1 ZN ZN . . 3.750 3.706 3.648 3.918 0.168 16 0 "[ . 1 . 2]" 2
32 1 6 CYS CB 3 1 ZN ZN . . 3.300 3.428 3.225 3.580 0.280 8 0 "[ . 1 . 2]" 2
33 1 37 CYS CB 3 1 ZN ZN . . 3.300 3.580 3.478 3.615 0.315 8 0 "[ . 1 . 2]" 2
34 1 8 CYS CB 3 1 ZN ZN . . 3.300 3.444 3.343 3.546 0.246 17 0 "[ . 1 . 2]" 2
35 1 41 CYS CB 3 1 ZN ZN . . 3.300 3.383 3.227 3.574 0.274 1 0 "[ . 1 . 2]" 2
36 1 6 CYS CB 4 1 ZN ZN . . 3.300 3.561 3.445 3.600 0.300 4 0 "[ . 1 . 2]" 2
37 1 46 CYS CB 4 1 ZN ZN . . 3.300 3.514 3.307 3.605 0.305 9 0 "[ . 1 . 2]" 2
38 1 14 CYS CB 4 1 ZN ZN . . 3.300 3.584 3.564 3.602 0.302 14 0 "[ . 1 . 2]" 2
39 1 43 CYS CB 4 1 ZN ZN . . 3.300 3.309 3.214 3.463 0.163 6 0 "[ . 1 . 2]" 2
40 1 37 CYS CB 5 1 ZN ZN . . 3.300 3.412 3.214 3.600 0.300 9 0 "[ . 1 . 2]" 2
41 1 46 CYS CB 5 1 ZN ZN . . 3.300 3.565 3.448 3.607 0.307 11 0 "[ . 1 . 2]" 2
42 1 12 CYS CB 5 1 ZN ZN . . 3.300 3.590 3.443 3.616 0.316 15 0 "[ . 1 . 2]" 2
43 1 35 CYS CB 5 1 ZN ZN . . 3.300 3.591 3.551 3.612 0.312 6 0 "[ . 1 . 2]" 2
44 1 6 CYS SG 1 37 CYS SG . . 3.770 3.818 3.690 3.869 0.099 10 0 "[ . 1 . 2]" 2
45 1 6 CYS SG 1 46 CYS SG . . 3.770 3.690 3.660 3.763 . 0 0 "[ . 1 . 2]" 2
46 1 37 CYS SG 1 46 CYS SG . . 3.770 3.728 3.665 3.868 0.098 16 0 "[ . 1 . 2]" 2
47 1 8 CYS SG 1 41 CYS SG . . 3.770 3.715 3.659 3.850 0.080 1 0 "[ . 1 . 2]" 2
48 1 14 CYS SG 1 43 CYS SG . . 3.770 3.840 3.661 3.884 0.114 13 0 "[ . 1 . 2]" 2
49 1 12 CYS SG 1 35 CYS SG . . 3.770 3.763 3.692 3.844 0.074 20 0 "[ . 1 . 2]" 2
50 1 6 CYS SG 1 8 CYS SG . . 3.770 3.674 3.657 3.722 . 0 0 "[ . 1 . 2]" 2
51 1 6 CYS SG 1 41 CYS SG . . 3.770 3.709 3.663 3.849 0.079 9 0 "[ . 1 . 2]" 2
52 1 6 CYS SG 1 14 CYS SG . . 3.770 3.719 3.675 3.874 0.104 16 0 "[ . 1 . 2]" 2
53 1 6 CYS SG 1 43 CYS SG . . 3.770 3.818 3.687 3.872 0.102 7 0 "[ . 1 . 2]" 2
54 1 8 CYS SG 1 37 CYS SG . . 3.770 3.868 3.694 3.896 0.126 8 0 "[ . 1 . 2]" 2
55 1 37 CYS SG 1 41 CYS SG . . 3.770 3.776 3.669 3.879 0.109 14 0 "[ . 1 . 2]" 2
56 1 12 CYS SG 1 37 CYS SG . . 3.770 3.713 3.656 3.864 0.094 20 0 "[ . 1 . 2]" 2
57 1 35 CYS SG 1 37 CYS SG . . 3.770 3.780 3.672 3.883 0.113 19 0 "[ . 1 . 2]" 2
58 1 14 CYS SG 1 46 CYS SG . . 3.770 3.732 3.672 3.859 0.089 6 0 "[ . 1 . 2]" 2
59 1 43 CYS SG 1 46 CYS SG . . 3.770 3.687 3.664 3.839 0.069 16 0 "[ . 1 . 2]" 2
60 1 12 CYS SG 1 46 CYS SG . . 3.770 3.864 3.817 3.896 0.126 6 0 "[ . 1 . 2]" 2
61 1 35 CYS SG 1 46 CYS SG . . 3.770 3.686 3.669 3.753 . 0 0 "[ . 1 . 2]" 2
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