NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
392880 |
1q7i   |
5949 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1q7i
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 861
_Distance_constraint_stats_list.Viol_count 1053
_Distance_constraint_stats_list.Viol_total 1478.369
_Distance_constraint_stats_list.Viol_max 0.700
_Distance_constraint_stats_list.Viol_rms 0.0278
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0043
_Distance_constraint_stats_list.Viol_average_violations_only 0.0702
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 LYS 0.386 0.386 9 0 "[ . 1 . 2]"
1 3 GLU 0.257 0.103 2 0 "[ . 1 . 2]"
1 4 CYS 7.572 0.395 19 0 "[ . 1 . 2]"
1 5 ASP 2.692 0.386 8 0 "[ . 1 . 2]"
1 6 CYS 1.840 0.125 11 0 "[ . 1 . 2]"
1 7 SER 0.256 0.055 4 0 "[ . 1 . 2]"
1 8 SER 0.117 0.030 19 0 "[ . 1 . 2]"
1 9 PRO 0.060 0.060 20 0 "[ . 1 . 2]"
1 10 GLU 0.304 0.073 14 0 "[ . 1 . 2]"
1 11 ASN 0.670 0.073 14 0 "[ . 1 . 2]"
1 12 PRO 0.074 0.074 2 0 "[ . 1 . 2]"
1 13 CYS 4.169 0.326 9 0 "[ . 1 . 2]"
1 14 CYS 1.782 0.371 19 0 "[ . 1 . 2]"
1 15 ASP 1.409 0.214 19 0 "[ . 1 . 2]"
1 16 ALA 0.060 0.060 20 0 "[ . 1 . 2]"
1 17 ALA 0.016 0.016 17 0 "[ . 1 . 2]"
1 18 THR 0.339 0.095 17 0 "[ . 1 . 2]"
1 19 CYS 6.437 0.395 19 0 "[ . 1 . 2]"
1 20 LYS 1.784 0.126 5 0 "[ . 1 . 2]"
1 21 LEU 5.401 0.386 8 0 "[ . 1 . 2]"
1 22 ARG 0.726 0.371 19 0 "[ . 1 . 2]"
1 23 PRO 0.753 0.155 15 0 "[ . 1 . 2]"
1 24 GLY 0.032 0.015 7 0 "[ . 1 . 2]"
1 25 ALA 3.244 0.314 19 0 "[ . 1 . 2]"
1 26 GLN 1.847 0.152 19 0 "[ . 1 . 2]"
1 27 CYS 1.726 0.123 1 0 "[ . 1 . 2]"
1 28 GLY 0.780 0.083 20 0 "[ . 1 . 2]"
1 29 GLU 2.192 0.566 9 1 "[ . +1 . 2]"
1 30 GLY 1.140 0.566 9 1 "[ . +1 . 2]"
1 31 LEU 5.727 0.377 1 0 "[ . 1 . 2]"
1 32 CYS 1.379 0.393 7 0 "[ . 1 . 2]"
1 33 CYS 1.076 0.123 1 0 "[ . 1 . 2]"
1 34 GLU 1.210 0.152 18 0 "[ . 1 . 2]"
1 35 GLN 1.094 0.152 18 0 "[ . 1 . 2]"
1 36 CYS 3.752 0.314 19 0 "[ . 1 . 2]"
1 37 LYS 0.362 0.152 19 0 "[ . 1 . 2]"
1 38 PHE 1.210 0.088 6 0 "[ . 1 . 2]"
1 39 SER 2.053 0.684 6 2 "[ .+ 1 . - 2]"
1 40 ARG 1.357 0.088 6 0 "[ . 1 . 2]"
1 41 ALA 3.357 0.273 2 0 "[ . 1 . 2]"
1 42 GLY 1.189 0.127 6 0 "[ . 1 . 2]"
1 43 LYS 6.702 0.684 6 2 "[ .+ 1 . - 2]"
1 44 ILE 4.836 0.558 2 2 "[ + .- 1 . 2]"
1 45 CYS 4.234 0.377 1 0 "[ . 1 . 2]"
1 46 ARG 4.339 0.558 2 2 "[ + .- 1 . 2]"
1 47 ILE 1.202 0.606 2 1 "[ + . 1 . 2]"
1 48 ALA 5.434 0.663 4 3 "[ +* 1- . 2]"
1 49 ARG 7.213 0.606 2 1 "[ + . 1 . 2]"
1 50 GLY 4.641 0.282 16 0 "[ . 1 . 2]"
1 51 ASP 4.823 0.700 13 2 "[ - 1 + . 2]"
1 52 TRP 13.470 0.700 13 4 "[ ** 1- + . 2]"
1 53 ASN 2.205 0.293 4 0 "[ . 1 . 2]"
1 54 ASP 1.396 0.111 5 0 "[ . 1 . 2]"
1 55 ASP 1.302 0.471 2 0 "[ . 1 . 2]"
1 56 ARG 4.604 0.273 2 0 "[ . 1 . 2]"
1 57 CYS 1.932 0.141 10 0 "[ . 1 . 2]"
1 58 THR 0.464 0.073 18 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLN 0.047 0.027 13 0 "[ . 1 . 2]"
1 61 SER 0.606 0.073 18 0 "[ . 1 . 2]"
1 62 ALA 0.388 0.067 5 0 "[ . 1 . 2]"
1 63 ASP 1.671 0.195 1 0 "[ . 1 . 2]"
1 64 CYS 2.043 0.233 3 0 "[ . 1 . 2]"
1 65 PRO 0.962 0.384 3 0 "[ . 1 . 2]"
1 66 ARG 0.589 0.384 3 0 "[ . 1 . 2]"
1 67 TYR 0.567 0.293 4 0 "[ . 1 . 2]"
1 68 HIS 0.338 0.145 9 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 LYS H 1 3 GLU H 2.500 2.500 6.000 4.043 2.850 4.674 . 0 0 "[ . 1 . 2]" 1
2 1 3 GLU H 1 4 CYS H 1.800 . 5.000 3.277 2.249 4.533 . 0 0 "[ . 1 . 2]" 1
3 1 4 CYS H 1 5 ASP H 1.800 . 5.000 3.237 2.272 4.370 . 0 0 "[ . 1 . 2]" 1
4 1 5 ASP H 1 6 CYS H 1.800 . 5.000 2.905 2.557 3.111 . 0 0 "[ . 1 . 2]" 1
5 1 6 CYS H 1 7 SER H 2.500 2.500 6.000 4.442 4.296 4.557 . 0 0 "[ . 1 . 2]" 1
6 1 7 SER H 1 8 SER H 1.800 . 5.000 2.235 1.875 3.117 . 0 0 "[ . 1 . 2]" 1
7 1 10 GLU H 1 11 ASN H 1.800 . 2.800 2.207 1.834 2.810 0.010 9 0 "[ . 1 . 2]" 1
8 1 13 CYS H 1 14 CYS H 1.800 . 5.000 2.505 1.811 3.151 . 0 0 "[ . 1 . 2]" 1
9 1 14 CYS H 1 15 ASP H 2.500 2.500 6.000 4.256 3.797 4.507 . 0 0 "[ . 1 . 2]" 1
10 1 15 ASP H 1 16 ALA H 1.800 . 5.000 4.383 3.931 4.628 . 0 0 "[ . 1 . 2]" 1
11 1 16 ALA H 1 17 ALA H 1.800 . 5.000 2.554 2.312 2.733 . 0 0 "[ . 1 . 2]" 1
12 1 17 ALA H 1 18 THR H 1.800 . 2.800 2.391 1.821 2.816 0.016 17 0 "[ . 1 . 2]" 1
13 1 18 THR H 1 19 CYS H 1.800 . 2.800 2.027 1.811 2.564 . 0 0 "[ . 1 . 2]" 1
14 1 19 CYS H 1 20 LYS H 1.800 . 5.000 3.134 2.787 3.474 . 0 0 "[ . 1 . 2]" 1
15 1 20 LYS H 1 21 LEU H 2.500 2.500 6.000 4.423 4.300 4.558 . 0 0 "[ . 1 . 2]" 1
16 1 21 LEU H 1 22 ARG H 2.500 2.500 6.000 4.577 4.474 4.664 . 0 0 "[ . 1 . 2]" 1
17 1 24 GLY H 1 25 ALA H 1.800 . 5.000 2.389 1.788 2.754 0.012 5 0 "[ . 1 . 2]" 1
18 1 25 ALA H 1 26 GLN H 1.800 . 5.000 4.515 4.316 4.678 . 0 0 "[ . 1 . 2]" 1
19 1 26 GLN H 1 27 CYS H 1.800 . 2.800 2.141 1.863 2.517 . 0 0 "[ . 1 . 2]" 1
20 1 27 CYS H 1 28 GLY H 2.500 2.500 6.000 4.200 3.984 4.375 . 0 0 "[ . 1 . 2]" 1
21 1 28 GLY H 1 29 GLU H 1.800 . 2.800 2.133 1.838 2.539 . 0 0 "[ . 1 . 2]" 1
22 1 29 GLU H 1 30 GLY H 2.500 2.500 6.000 4.080 3.886 4.248 . 0 0 "[ . 1 . 2]" 1
23 1 30 GLY H 1 31 LEU H 2.500 2.500 6.000 4.360 4.250 4.404 . 0 0 "[ . 1 . 2]" 1
24 1 31 LEU H 1 32 CYS H 1.800 . 5.000 2.520 1.881 2.852 . 0 0 "[ . 1 . 2]" 1
25 1 32 CYS H 1 33 CYS H 1.800 . 5.000 3.015 2.129 3.539 . 0 0 "[ . 1 . 2]" 1
26 1 33 CYS H 1 34 GLU H 2.500 2.500 6.000 4.107 3.669 4.294 . 0 0 "[ . 1 . 2]" 1
27 1 34 GLU H 1 35 GLN H 2.500 2.500 6.000 4.510 4.332 4.619 . 0 0 "[ . 1 . 2]" 1
28 1 35 GLN H 1 36 CYS H 1.800 . 5.000 4.090 2.690 4.174 . 0 0 "[ . 1 . 2]" 1
29 1 36 CYS H 1 37 LYS H 1.800 . 5.000 2.808 2.198 3.027 . 0 0 "[ . 1 . 2]" 1
30 1 37 LYS H 1 38 PHE H 2.500 2.500 6.000 4.282 3.927 4.446 . 0 0 "[ . 1 . 2]" 1
31 1 38 PHE H 1 39 SER H 2.500 2.500 6.000 4.513 4.360 4.597 . 0 0 "[ . 1 . 2]" 1
32 1 39 SER H 1 40 ARG H 2.500 2.500 6.000 4.652 4.497 4.715 . 0 0 "[ . 1 . 2]" 1
33 1 42 GLY H 1 43 LYS H 1.800 . 5.000 2.515 2.082 2.748 . 0 0 "[ . 1 . 2]" 1
34 1 43 LYS H 1 44 ILE H 2.500 2.500 6.000 4.512 4.446 4.569 . 0 0 "[ . 1 . 2]" 1
35 1 44 ILE H 1 45 CYS H 2.500 2.500 6.000 4.282 4.085 4.499 . 0 0 "[ . 1 . 2]" 1
36 1 45 CYS H 1 46 ARG H 1.800 . 5.000 2.344 1.866 2.650 . 0 0 "[ . 1 . 2]" 1
37 1 46 ARG H 1 47 ILE H 1.800 . 5.000 4.233 3.768 4.420 . 0 0 "[ . 1 . 2]" 1
38 1 47 ILE H 1 48 ALA H 2.500 2.500 6.000 4.329 2.491 4.684 0.009 6 0 "[ . 1 . 2]" 1
39 1 48 ALA H 1 49 ARG H 2.500 2.500 6.000 4.557 4.349 4.702 . 0 0 "[ . 1 . 2]" 1
40 1 50 GLY H 1 51 ASP H 2.500 2.500 6.000 3.252 2.453 4.080 0.047 19 0 "[ . 1 . 2]" 1
41 1 51 ASP H 1 52 TRP H 2.500 2.500 6.000 3.729 2.416 4.662 0.084 13 0 "[ . 1 . 2]" 1
42 1 52 TRP H 1 53 ASN H 1.800 . 5.000 4.236 2.817 4.678 . 0 0 "[ . 1 . 2]" 1
43 1 53 ASN H 1 54 ASP H 1.800 . 5.000 4.279 3.076 4.687 . 0 0 "[ . 1 . 2]" 1
44 1 54 ASP H 1 55 ASP H 1.800 . 5.000 4.597 4.389 4.692 . 0 0 "[ . 1 . 2]" 1
45 1 56 ARG H 1 57 CYS H 2.500 2.500 6.000 4.390 3.860 4.676 . 0 0 "[ . 1 . 2]" 1
46 1 57 CYS H 1 58 THR H 2.500 2.500 6.000 4.585 4.486 4.683 . 0 0 "[ . 1 . 2]" 1
47 1 58 THR H 1 59 GLY H 1.800 . 5.000 4.488 4.269 4.623 . 0 0 "[ . 1 . 2]" 1
48 1 59 GLY H 1 60 GLN H 1.800 . 5.000 2.535 2.230 2.873 . 0 0 "[ . 1 . 2]" 1
49 1 60 GLN H 1 61 SER H 1.800 . 2.800 2.025 1.843 2.516 . 0 0 "[ . 1 . 2]" 1
50 1 61 SER H 1 62 ALA H 2.500 2.500 6.000 4.448 4.247 4.575 . 0 0 "[ . 1 . 2]" 1
51 1 62 ALA H 1 63 ASP H 1.800 . 5.000 2.116 1.848 2.404 . 0 0 "[ . 1 . 2]" 1
52 1 63 ASP H 1 64 CYS H 2.500 2.500 6.000 4.499 4.345 4.667 . 0 0 "[ . 1 . 2]" 1
53 1 66 ARG H 1 67 TYR H 1.800 . 5.000 4.287 3.417 4.682 . 0 0 "[ . 1 . 2]" 1
54 1 67 TYR H 1 68 HIS H 1.800 . 5.000 2.345 1.851 3.058 . 0 0 "[ . 1 . 2]" 1
55 1 2 LYS HA 1 3 GLU H 1.800 . 3.300 2.439 2.188 2.967 . 0 0 "[ . 1 . 2]" 1
56 1 3 GLU HA 1 4 CYS H 1.800 . 2.800 2.701 2.304 2.903 0.103 2 0 "[ . 1 . 2]" 1
57 1 4 CYS HA 1 5 ASP H 1.800 . 2.800 2.445 2.179 2.722 . 0 0 "[ . 1 . 2]" 1
58 1 6 CYS HA 1 7 SER H 1.800 . 5.000 2.409 2.245 2.711 . 0 0 "[ . 1 . 2]" 1
59 1 7 SER HA 1 8 SER H 1.800 . 5.000 3.261 2.837 3.505 . 0 0 "[ . 1 . 2]" 1
60 1 9 PRO HA 1 10 GLU H 1.800 . 5.000 3.323 2.937 3.545 . 0 0 "[ . 1 . 2]" 1
61 1 10 GLU HA 1 11 ASN H 1.800 . 5.000 3.260 2.746 3.470 . 0 0 "[ . 1 . 2]" 1
62 1 12 PRO HA 1 13 CYS H 1.800 . 5.000 3.340 2.484 3.578 . 0 0 "[ . 1 . 2]" 1
63 1 13 CYS HA 1 14 CYS H 1.800 . 5.000 3.245 2.823 3.577 . 0 0 "[ . 1 . 2]" 1
64 1 14 CYS HA 1 15 ASP H 1.800 . 2.800 2.319 2.126 2.796 . 0 0 "[ . 1 . 2]" 1
65 1 15 ASP HA 1 16 ALA H 1.800 . 2.800 2.209 2.189 2.255 . 0 0 "[ . 1 . 2]" 1
66 1 16 ALA HA 1 17 ALA H 1.800 . 5.000 3.380 3.105 3.531 . 0 0 "[ . 1 . 2]" 1
67 1 19 CYS HA 1 20 LYS H 1.800 . 5.000 2.698 2.327 3.368 . 0 0 "[ . 1 . 2]" 1
68 1 20 LYS HA 1 21 LEU H 1.800 . 2.800 2.579 2.292 2.839 0.039 16 0 "[ . 1 . 2]" 1
69 1 21 LEU HA 1 22 ARG H 1.800 . 5.000 2.253 2.146 2.549 . 0 0 "[ . 1 . 2]" 1
70 1 23 PRO HA 1 24 GLY H 1.800 . 2.800 2.608 2.298 2.815 0.015 7 0 "[ . 1 . 2]" 1
71 1 25 ALA HA 1 26 GLN H 1.800 . 2.800 2.652 2.221 2.840 0.040 3 0 "[ . 1 . 2]" 1
72 1 26 GLN HA 1 27 CYS H 1.800 . 5.000 3.263 3.036 3.438 . 0 0 "[ . 1 . 2]" 1
73 1 27 CYS HA 1 28 GLY H 1.800 . 2.800 2.295 2.177 2.495 . 0 0 "[ . 1 . 2]" 1
74 1 29 GLU HA 1 30 GLY H 1.800 . 2.800 2.213 2.177 2.301 . 0 0 "[ . 1 . 2]" 1
75 1 31 LEU HA 1 32 CYS H 1.800 . 5.000 3.473 3.360 3.574 . 0 0 "[ . 1 . 2]" 1
76 1 32 CYS HA 1 33 CYS H 1.800 . 5.000 2.708 2.492 3.066 . 0 0 "[ . 1 . 2]" 1
77 1 33 CYS HA 1 34 GLU H 1.800 . 2.800 2.220 2.173 2.357 . 0 0 "[ . 1 . 2]" 1
78 1 34 GLU HA 1 35 GLN H 1.800 . 2.800 2.769 2.657 2.952 0.152 18 0 "[ . 1 . 2]" 1
79 1 35 GLN HA 1 36 CYS H 1.800 . 5.000 2.368 2.287 3.450 . 0 0 "[ . 1 . 2]" 1
80 1 36 CYS HA 1 37 LYS H 1.800 . 5.000 2.804 2.699 2.973 . 0 0 "[ . 1 . 2]" 1
81 1 37 LYS HA 1 38 PHE H 1.800 . 2.800 2.289 2.199 2.467 . 0 0 "[ . 1 . 2]" 1
82 1 38 PHE HA 1 39 SER H 1.800 . 2.800 2.210 2.183 2.261 . 0 0 "[ . 1 . 2]" 1
83 1 39 SER HA 1 40 ARG H 1.800 . 2.800 2.562 2.322 2.830 0.030 5 0 "[ . 1 . 2]" 1
84 1 40 ARG HA 1 41 ALA H 1.800 . 5.000 2.272 2.156 2.398 . 0 0 "[ . 1 . 2]" 1
85 1 41 ALA HA 1 42 GLY H 1.800 . 2.800 2.563 2.293 2.772 . 0 0 "[ . 1 . 2]" 1
86 1 43 LYS HA 1 44 ILE H 1.800 . 5.000 2.265 2.189 2.595 . 0 0 "[ . 1 . 2]" 1
87 1 44 ILE HA 1 45 CYS H 1.800 . 2.800 2.199 2.112 2.268 . 0 0 "[ . 1 . 2]" 1
88 1 45 CYS HA 1 46 ARG H 1.800 . 5.000 3.393 3.250 3.505 . 0 0 "[ . 1 . 2]" 1
89 1 46 ARG HA 1 47 ILE H 1.800 . 5.000 2.400 2.179 2.829 . 0 0 "[ . 1 . 2]" 1
90 1 47 ILE HA 1 48 ALA H 1.800 . 2.800 2.325 2.197 3.089 0.289 6 0 "[ . 1 . 2]" 1
91 1 48 ALA HA 1 49 ARG H 1.800 . 3.300 2.514 2.162 2.843 . 0 0 "[ . 1 . 2]" 1
92 1 49 ARG HA 1 50 GLY H 1.800 . 3.300 3.356 2.698 3.523 0.223 7 0 "[ . 1 . 2]" 1
93 1 51 ASP HA 1 52 TRP H 1.800 . 2.800 2.395 2.178 3.500 0.700 13 2 "[ - 1 + . 2]" 1
94 1 52 TRP HA 1 53 ASN H 1.800 . 2.800 2.665 2.021 2.872 0.072 1 0 "[ . 1 . 2]" 1
95 1 53 ASN HA 1 54 ASP H 1.800 . 2.800 2.343 2.179 2.723 . 0 0 "[ . 1 . 2]" 1
96 1 54 ASP HA 1 55 ASP H 1.800 . 2.800 2.457 2.178 2.824 0.024 13 0 "[ . 1 . 2]" 1
97 1 55 ASP HA 1 56 ARG H 1.800 . 2.800 2.285 2.182 2.777 . 0 0 "[ . 1 . 2]" 1
98 1 56 ARG HA 1 57 CYS H 1.800 . 2.800 2.313 2.234 2.452 . 0 0 "[ . 1 . 2]" 1
99 1 57 CYS HA 1 58 THR H 1.800 . 2.800 2.355 2.202 2.523 . 0 0 "[ . 1 . 2]" 1
100 1 60 GLN HA 1 61 SER H 1.800 . 5.000 3.129 2.926 3.433 . 0 0 "[ . 1 . 2]" 1
101 1 61 SER HA 1 62 ALA H 1.800 . 5.000 2.289 2.188 2.785 . 0 0 "[ . 1 . 2]" 1
102 1 63 ASP HA 1 64 CYS H 1.800 . 2.800 2.623 2.404 2.809 0.009 6 0 "[ . 1 . 2]" 1
103 1 67 TYR HA 1 68 HIS H 1.800 . 5.000 3.195 2.416 3.581 . 0 0 "[ . 1 . 2]" 1
104 1 24 GLY HA2 1 25 ALA H 1.800 . 5.000 3.189 2.910 3.593 . 0 0 "[ . 1 . 2]" 1
105 1 28 GLY HA2 1 29 GLU H 1.800 . 5.000 3.421 3.252 3.511 . 0 0 "[ . 1 . 2]" 1
106 1 30 GLY HA2 1 31 LEU H 1.800 . 2.800 2.559 2.299 2.909 0.109 1 0 "[ . 1 . 2]" 1
107 1 42 GLY HA2 1 43 LYS H 1.800 . 5.000 3.047 2.967 3.134 . 0 0 "[ . 1 . 2]" 1
108 1 24 GLY HA3 1 25 ALA H 1.800 . 5.000 3.285 2.638 3.534 . 0 0 "[ . 1 . 2]" 1
109 1 28 GLY HA3 1 29 GLU H 1.800 . 5.000 3.139 2.938 3.359 . 0 0 "[ . 1 . 2]" 1
110 1 30 GLY HA3 1 31 LEU H 1.800 . 2.800 2.715 2.470 2.957 0.157 14 0 "[ . 1 . 2]" 1
111 1 1 GLY QA 1 2 LYS H 1.800 . 2.800 2.231 2.159 2.325 . 0 0 "[ . 1 . 2]" 1
112 1 50 GLY HA3 1 51 ASP H 1.800 . 3.800 2.801 2.187 3.581 . 0 0 "[ . 1 . 2]" 1
113 1 50 GLY HA2 1 51 ASP H 1.800 . 3.800 3.065 2.184 3.612 . 0 0 "[ . 1 . 2]" 1
114 1 42 GLY HA3 1 43 LYS H 1.800 . 5.000 3.475 3.432 3.522 . 0 0 "[ . 1 . 2]" 1
115 1 5 ASP H 1 20 LYS H 2.500 2.500 6.000 4.220 3.729 4.682 . 0 0 "[ . 1 . 2]" 1
116 1 5 ASP H 1 21 LEU H 2.500 2.500 6.000 3.992 3.192 4.433 . 0 0 "[ . 1 . 2]" 1
117 1 6 CYS H 1 21 LEU H 2.500 2.500 6.000 5.073 3.627 5.872 . 0 0 "[ . 1 . 2]" 1
118 1 15 ASP H 1 22 ARG H 1.800 . 5.000 3.596 2.297 4.890 . 0 0 "[ . 1 . 2]" 1
119 1 15 ASP H 1 20 LYS H 2.500 2.500 6.000 3.227 2.408 3.961 0.092 17 0 "[ . 1 . 2]" 1
120 1 14 CYS H 1 22 ARG H 2.500 2.500 6.000 3.941 3.249 5.225 . 0 0 "[ . 1 . 2]" 1
121 1 26 GLN H 1 38 PHE H 2.500 2.500 6.000 4.073 3.605 4.504 . 0 0 "[ . 1 . 2]" 1
122 1 27 CYS H 1 36 CYS H 2.500 2.500 6.000 5.610 5.144 6.061 0.061 18 0 "[ . 1 . 2]" 1
123 1 27 CYS H 1 38 PHE H 2.500 2.500 6.000 5.089 4.542 5.529 . 0 0 "[ . 1 . 2]" 1
124 1 33 CYS H 1 39 SER H 2.500 2.500 6.000 4.659 4.053 5.271 . 0 0 "[ . 1 . 2]" 1
125 1 34 GLU H 1 39 SER H 2.500 2.500 6.000 2.939 2.501 3.357 . 0 0 "[ . 1 . 2]" 1
126 1 26 GLN H 1 37 LYS H 2.500 2.500 6.000 4.210 3.688 4.930 . 0 0 "[ . 1 . 2]" 1
127 1 42 GLY H 1 57 CYS H 2.500 2.500 6.000 4.101 3.285 5.344 . 0 0 "[ . 1 . 2]" 1
128 1 43 LYS H 1 56 ARG H 2.500 2.500 6.000 6.063 5.876 6.165 0.165 1 0 "[ . 1 . 2]" 1
129 1 43 LYS H 1 57 CYS H 1.800 . 5.000 2.595 1.851 3.721 . 0 0 "[ . 1 . 2]" 1
130 1 48 ALA H 1 55 ASP H 2.500 2.500 6.000 4.389 3.382 6.033 0.033 5 0 "[ . 1 . 2]" 1
131 1 48 ALA H 1 54 ASP HA 1.800 . 5.000 3.384 2.022 4.495 . 0 0 "[ . 1 . 2]" 1
132 1 48 ALA H 1 54 ASP HB3 2.500 2.500 6.000 4.152 2.477 5.465 0.023 17 0 "[ . 1 . 2]" 1
133 1 48 ALA H 1 54 ASP HB2 2.500 2.500 6.000 4.841 3.553 5.809 . 0 0 "[ . 1 . 2]" 1
134 1 48 ALA MB 1 53 ASN HB3 2.500 2.500 7.000 5.397 4.574 5.904 . 0 0 "[ . 1 . 2]" 1
135 1 48 ALA MB 1 53 ASN HB2 2.500 2.500 7.000 5.467 4.322 5.930 . 0 0 "[ . 1 . 2]" 1
136 1 46 ARG H 1 55 ASP H 2.500 2.500 6.000 3.737 3.318 4.228 . 0 0 "[ . 1 . 2]" 1
137 1 7 SER H 1 29 GLU HG2 2.500 2.500 6.000 3.737 2.548 5.628 . 0 0 "[ . 1 . 2]" 1
138 1 26 GLN HG2 1 38 PHE H 1.800 . 5.000 4.026 3.175 4.829 . 0 0 "[ . 1 . 2]" 1
139 1 26 GLN HG3 1 38 PHE H 1.800 . 5.000 4.861 4.303 5.034 0.034 18 0 "[ . 1 . 2]" 1
140 1 58 THR H 1 65 PRO QG 2.500 2.500 7.000 5.615 4.785 6.197 . 0 0 "[ . 1 . 2]" 1
141 1 13 CYS H 1 25 ALA MB 2.500 2.500 7.000 5.671 5.239 5.874 . 0 0 "[ . 1 . 2]" 1
142 1 21 LEU HG 1 27 CYS H 1.800 . 5.000 4.738 4.326 4.992 . 0 0 "[ . 1 . 2]" 1
143 1 21 LEU HG 1 28 GLY H 2.500 2.500 6.000 3.447 2.492 4.192 0.008 19 0 "[ . 1 . 2]" 1
144 1 21 LEU HG 1 29 GLU H 2.500 2.500 6.000 5.488 4.558 5.996 . 0 0 "[ . 1 . 2]" 1
145 1 6 CYS H 1 21 LEU MD2 2.500 2.500 7.000 5.731 5.585 5.908 . 0 0 "[ . 1 . 2]" 1
146 1 13 CYS H 1 21 LEU MD2 2.500 2.500 7.000 4.889 4.687 5.484 . 0 0 "[ . 1 . 2]" 1
147 1 14 CYS H 1 21 LEU MD2 2.500 2.500 7.000 4.320 3.989 4.603 . 0 0 "[ . 1 . 2]" 1
148 1 15 ASP H 1 21 LEU MD2 2.500 2.500 7.000 4.986 4.583 5.409 . 0 0 "[ . 1 . 2]" 1
149 1 21 LEU MD2 1 27 CYS H 1.800 . 6.000 2.408 2.029 2.935 . 0 0 "[ . 1 . 2]" 1
150 1 21 LEU MD2 1 29 GLU H 1.800 . 6.000 4.405 3.933 4.873 . 0 0 "[ . 1 . 2]" 1
151 1 44 ILE H 1 56 ARG HD2 2.500 2.500 6.000 4.895 3.662 5.764 . 0 0 "[ . 1 . 2]" 1
152 1 21 LEU MD1 1 27 CYS H 1.800 . 6.000 2.624 2.279 4.300 . 0 0 "[ . 1 . 2]" 1
153 1 21 LEU MD1 1 28 GLY H 1.800 . 6.000 3.381 2.352 4.102 . 0 0 "[ . 1 . 2]" 1
154 1 21 LEU MD1 1 29 GLU H 2.500 2.500 7.000 5.119 4.141 5.756 . 0 0 "[ . 1 . 2]" 1
155 1 58 THR H 1 65 PRO HD3 2.500 2.500 6.000 5.378 4.420 5.779 . 0 0 "[ . 1 . 2]" 1
156 1 31 LEU QD 1 46 ARG H 2.500 2.500 7.000 4.400 3.951 4.792 . 0 0 "[ . 1 . 2]" 1
157 1 27 CYS HB3 1 62 ALA H 2.500 2.500 6.000 5.317 4.426 6.045 0.045 18 0 "[ . 1 . 2]" 1
158 1 27 CYS HB2 1 62 ALA H 2.500 2.500 6.000 5.489 4.476 6.026 0.026 17 0 "[ . 1 . 2]" 1
159 1 31 LEU QD 1 64 CYS H 1.800 . 7.400 3.966 2.910 4.564 . 0 0 "[ . 1 . 2]" 1
160 1 5 ASP H 1 19 CYS HB2 2.500 2.500 6.000 5.365 4.300 6.092 0.092 19 0 "[ . 1 . 2]" 1
161 1 5 ASP H 1 20 LYS HB2 1.800 . 5.000 4.287 4.094 4.587 . 0 0 "[ . 1 . 2]" 1
162 1 6 CYS H 1 19 CYS HB2 2.500 2.500 6.000 5.560 3.553 6.125 0.125 11 0 "[ . 1 . 2]" 1
163 1 14 CYS HB2 1 22 ARG H 2.500 2.500 6.000 4.872 4.257 5.766 . 0 0 "[ . 1 . 2]" 1
164 1 25 ALA H 1 36 CYS HB2 2.500 2.500 6.000 5.908 5.567 6.132 0.132 19 0 "[ . 1 . 2]" 1
165 1 26 GLN H 1 36 CYS HB2 2.500 2.500 6.000 5.142 4.162 6.001 0.001 19 0 "[ . 1 . 2]" 1
166 1 26 GLN H 1 38 PHE HB2 2.500 2.500 6.000 5.907 5.524 6.063 0.063 18 0 "[ . 1 . 2]" 1
167 1 13 CYS HB2 1 28 GLY H 2.500 2.500 6.000 5.289 4.355 5.894 . 0 0 "[ . 1 . 2]" 1
168 1 31 LEU H 1 45 CYS HB2 2.500 2.500 6.000 5.590 5.258 6.377 0.377 1 0 "[ . 1 . 2]" 1
169 1 31 LEU H 1 63 ASP HB2 2.500 2.500 6.000 5.102 4.576 5.493 . 0 0 "[ . 1 . 2]" 1
170 1 31 LEU H 1 64 CYS HB2 1.800 . 5.000 4.804 4.440 5.002 0.002 2 0 "[ . 1 . 2]" 1
171 1 32 CYS H 1 64 CYS HB2 2.500 2.500 6.000 4.900 4.089 5.819 . 0 0 "[ . 1 . 2]" 1
172 1 26 GLN HB2 1 38 PHE H 1.800 . 5.000 2.531 1.981 3.134 . 0 0 "[ . 1 . 2]" 1
173 1 32 CYS HB2 1 39 SER H 2.500 2.500 6.000 4.219 3.311 5.333 . 0 0 "[ . 1 . 2]" 1
174 1 33 CYS HB2 1 39 SER H 2.500 2.500 6.000 4.756 3.702 5.955 . 0 0 "[ . 1 . 2]" 1
175 1 41 ALA H 1 57 CYS HB2 2.500 2.500 6.000 5.808 5.388 6.141 0.141 10 0 "[ . 1 . 2]" 1
176 1 42 GLY H 1 56 ARG HB2 1.800 . 5.000 4.442 3.641 5.064 0.064 1 0 "[ . 1 . 2]" 1
177 1 43 LYS H 1 57 CYS HB2 1.800 . 5.000 3.163 2.922 3.683 . 0 0 "[ . 1 . 2]" 1
178 1 45 CYS H 1 56 ARG QB 1.800 . 6.000 5.072 4.745 5.296 . 0 0 "[ . 1 . 2]" 1
179 1 38 PHE HB2 1 61 SER H 2.500 2.500 6.000 5.562 4.927 6.011 0.011 13 0 "[ . 1 . 2]" 1
180 1 31 LEU HB2 1 64 CYS H 2.500 2.500 6.000 3.303 2.727 4.853 . 0 0 "[ . 1 . 2]" 1
181 1 66 ARG HB2 1 67 TYR H 1.800 . 5.000 3.687 2.416 4.681 . 0 0 "[ . 1 . 2]" 1
182 1 5 ASP H 1 19 CYS HB3 2.500 2.500 6.000 4.370 3.633 6.059 0.059 4 0 "[ . 1 . 2]" 1
183 1 5 ASP H 1 20 LYS HB3 2.500 2.500 6.000 4.112 3.121 4.519 . 0 0 "[ . 1 . 2]" 1
184 1 6 CYS H 1 19 CYS HB3 2.500 2.500 6.000 4.907 4.550 5.630 . 0 0 "[ . 1 . 2]" 1
185 1 7 SER H 1 29 GLU HB3 2.500 2.500 6.000 4.827 2.555 5.973 . 0 0 "[ . 1 . 2]" 1
186 1 14 CYS HB3 1 22 ARG H 2.500 2.500 6.000 4.783 3.887 5.617 . 0 0 "[ . 1 . 2]" 1
187 1 25 ALA H 1 36 CYS HB3 2.500 2.500 6.000 4.545 4.117 5.454 . 0 0 "[ . 1 . 2]" 1
188 1 26 GLN H 1 36 CYS HB3 2.500 2.500 6.000 3.923 3.509 4.516 . 0 0 "[ . 1 . 2]" 1
189 1 27 CYS H 1 36 CYS HB3 1.800 . 5.000 4.395 3.767 5.068 0.068 19 0 "[ . 1 . 2]" 1
190 1 31 LEU H 1 45 CYS HB3 2.500 2.500 6.000 5.853 5.612 6.103 0.103 3 0 "[ . 1 . 2]" 1
191 1 31 LEU H 1 63 ASP HB3 2.500 2.500 6.000 4.168 3.414 4.962 . 0 0 "[ . 1 . 2]" 1
192 1 31 LEU H 1 64 CYS HB3 2.500 2.500 6.000 5.014 4.430 5.569 . 0 0 "[ . 1 . 2]" 1
193 1 32 CYS H 1 64 CYS HB3 2.500 2.500 6.000 5.736 4.946 6.073 0.073 3 0 "[ . 1 . 2]" 1
194 1 33 CYS H 1 62 ALA MB 1.800 . 6.000 4.381 3.166 4.943 . 0 0 "[ . 1 . 2]" 1
195 1 26 GLN HB3 1 37 LYS H 2.500 2.500 6.000 5.444 4.708 5.815 . 0 0 "[ . 1 . 2]" 1
196 1 43 LYS H 1 57 CYS HB3 1.800 . 5.000 4.610 4.025 5.009 0.009 5 0 "[ . 1 . 2]" 1
197 1 45 CYS H 1 56 ARG QG 1.800 . 6.000 4.891 4.005 5.232 . 0 0 "[ . 1 . 2]" 1
198 1 38 PHE HB3 1 61 SER H 2.500 2.500 6.000 3.979 3.337 4.363 . 0 0 "[ . 1 . 2]" 1
199 1 31 LEU HB3 1 64 CYS H 1.800 . 5.000 4.316 3.406 5.032 0.032 5 0 "[ . 1 . 2]" 1
200 1 15 ASP H 1 21 LEU QB 2.500 2.500 7.000 5.052 3.330 5.946 . 0 0 "[ . 1 . 2]" 1
201 1 5 ASP QB 1 20 LYS H 2.500 2.500 7.000 4.149 3.557 5.078 . 0 0 "[ . 1 . 2]" 1
202 1 14 CYS QB 1 20 LYS H 2.500 2.500 7.000 3.866 2.519 6.336 . 0 0 "[ . 1 . 2]" 1
203 1 15 ASP QB 1 20 LYS H 1.800 . 6.000 3.065 2.494 3.438 . 0 0 "[ . 1 . 2]" 1
204 1 5 ASP QB 1 21 LEU H 1.800 . 6.000 2.225 1.768 2.682 0.032 19 0 "[ . 1 . 2]" 1
205 1 21 LEU QB 1 27 CYS H 2.500 2.500 7.000 4.797 4.510 5.092 . 0 0 "[ . 1 . 2]" 1
206 1 21 LEU QB 1 28 GLY H 2.500 2.500 7.000 5.192 3.286 5.917 . 0 0 "[ . 1 . 2]" 1
207 1 28 GLY H 1 62 ALA MB 1.800 . 6.000 4.613 3.712 5.066 . 0 0 "[ . 1 . 2]" 1
208 1 29 GLU H 1 62 ALA MB 1.800 . 6.000 4.064 3.356 4.614 . 0 0 "[ . 1 . 2]" 1
209 1 46 ARG H 1 54 ASP HB3 2.500 2.500 7.000 5.321 3.644 6.536 . 0 0 "[ . 1 . 2]" 1
210 1 46 ARG H 1 54 ASP HB2 2.500 2.500 7.000 5.612 4.408 6.945 . 0 0 "[ . 1 . 2]" 1
211 1 46 ARG H 1 55 ASP HB2 1.800 . 6.000 3.334 2.249 4.484 . 0 0 "[ . 1 . 2]" 1
212 1 41 ALA MB 1 59 GLY H 1.800 . 6.000 2.369 1.908 2.903 . 0 0 "[ . 1 . 2]" 1
213 1 41 ALA MB 1 60 GLN H 2.500 2.500 7.000 4.274 3.939 4.666 . 0 0 "[ . 1 . 2]" 1
214 1 13 CYS H 1 28 GLY HA2 2.500 2.500 6.000 4.669 4.277 5.287 . 0 0 "[ . 1 . 2]" 1
215 1 42 GLY QA 1 57 CYS H 2.500 2.500 7.000 4.434 3.514 5.467 . 0 0 "[ . 1 . 2]" 1
216 1 5 ASP H 1 19 CYS HA 2.500 2.500 6.000 4.848 4.095 5.502 . 0 0 "[ . 1 . 2]" 1
217 1 6 CYS H 1 19 CYS HA 2.500 2.500 7.000 4.187 3.758 4.820 . 0 0 "[ . 1 . 2]" 1
218 1 14 CYS H 1 21 LEU HA 2.500 2.500 6.000 4.515 4.295 5.094 . 0 0 "[ . 1 . 2]" 1
219 1 14 CYS HA 1 20 LYS H 2.500 2.500 6.000 4.520 3.961 6.035 0.035 19 0 "[ . 1 . 2]" 1
220 1 14 CYS HA 1 21 LEU H 2.500 2.500 6.000 4.219 3.703 4.811 . 0 0 "[ . 1 . 2]" 1
221 1 14 CYS HA 1 22 ARG H 1.800 . 2.800 2.429 1.858 2.884 0.084 6 0 "[ . 1 . 2]" 1
222 1 26 GLN H 1 37 LYS HA 1.800 . 5.000 2.614 2.285 2.894 . 0 0 "[ . 1 . 2]" 1
223 1 27 CYS H 1 37 LYS HA 1.800 . 5.000 4.019 3.579 4.420 . 0 0 "[ . 1 . 2]" 1
224 1 31 LEU H 1 64 CYS HA 2.500 2.500 6.000 5.763 4.909 6.028 0.028 18 0 "[ . 1 . 2]" 1
225 1 32 CYS H 1 63 ASP HA 1.800 . 5.000 3.490 2.521 4.199 . 0 0 "[ . 1 . 2]" 1
226 1 34 GLU H 1 39 SER HA 2.500 2.500 6.000 3.368 2.697 3.941 . 0 0 "[ . 1 . 2]" 1
227 1 25 ALA HA 1 37 LYS H 2.500 2.500 6.000 5.763 5.311 6.050 0.050 12 0 "[ . 1 . 2]" 1
228 1 26 GLN HA 1 38 PHE H 2.500 2.500 6.000 5.071 4.661 5.529 . 0 0 "[ . 1 . 2]" 1
229 1 33 CYS HA 1 38 PHE H 2.500 2.500 6.000 5.190 4.452 5.641 . 0 0 "[ . 1 . 2]" 1
230 1 33 CYS HA 1 39 SER H 1.800 . 5.000 2.429 1.849 3.395 . 0 0 "[ . 1 . 2]" 1
231 1 43 LYS H 1 57 CYS HA 1.800 . 5.000 4.676 4.418 5.056 0.056 6 0 "[ . 1 . 2]" 1
232 1 44 ILE H 1 56 ARG HA 2.500 2.500 6.000 4.425 4.250 4.816 . 0 0 "[ . 1 . 2]" 1
233 1 45 CYS H 1 56 ARG HA 1.800 . 5.000 3.116 2.720 3.384 . 0 0 "[ . 1 . 2]" 1
234 1 46 ARG H 1 54 ASP HA 2.500 2.500 6.000 5.848 5.039 6.081 0.081 12 0 "[ . 1 . 2]" 1
235 1 46 ARG H 1 55 ASP HA 2.500 2.500 6.000 5.298 4.789 5.809 . 0 0 "[ . 1 . 2]" 1
236 1 46 ARG H 1 56 ARG HA 2.500 2.500 6.000 4.958 4.588 5.351 . 0 0 "[ . 1 . 2]" 1
237 1 44 ILE HA 1 55 ASP H 2.500 2.500 6.000 4.593 3.883 5.254 . 0 0 "[ . 1 . 2]" 1
238 1 46 ARG QB 1 55 ASP H 2.500 2.500 7.000 3.695 2.852 4.422 . 0 0 "[ . 1 . 2]" 1
239 1 48 ALA MB 1 55 ASP H 2.500 2.500 6.000 4.356 3.597 4.934 . 0 0 "[ . 1 . 2]" 1
240 1 44 ILE QG 1 55 ASP H 2.500 2.500 6.500 4.698 4.048 5.850 . 0 0 "[ . 1 . 2]" 1
241 1 44 ILE MD 1 55 ASP H 2.500 2.500 6.500 2.654 2.029 3.662 0.471 2 0 "[ . 1 . 2]" 1
242 1 44 ILE QG 1 55 ASP H 2.500 2.500 6.500 4.375 3.965 4.848 . 0 0 "[ . 1 . 2]" 1
243 1 48 ALA MB 1 53 ASN H 2.500 2.500 6.500 4.101 2.265 4.774 0.235 5 0 "[ . 1 . 2]" 1
244 1 44 ILE HA 1 56 ARG H 2.500 2.500 6.000 4.824 4.294 5.105 . 0 0 "[ . 1 . 2]" 1
245 1 41 ALA HA 1 57 CYS H 2.500 2.500 6.000 4.544 3.809 5.527 . 0 0 "[ . 1 . 2]" 1
246 1 44 ILE HA 1 57 CYS H 1.800 . 5.000 4.002 3.118 4.348 . 0 0 "[ . 1 . 2]" 1
247 1 41 ALA HA 1 58 THR H 2.500 2.500 6.000 4.067 3.701 4.428 . 0 0 "[ . 1 . 2]" 1
248 1 58 THR H 1 64 CYS HA 2.500 2.500 6.000 5.723 4.800 6.036 0.036 3 0 "[ . 1 . 2]" 1
249 1 41 ALA HA 1 60 GLN H 2.500 2.500 6.000 5.035 4.714 5.387 . 0 0 "[ . 1 . 2]" 1
250 1 31 LEU HA 1 64 CYS H 2.500 2.500 6.000 5.906 5.552 6.048 0.048 5 0 "[ . 1 . 2]" 1
251 1 21 LEU MD2 1 28 GLY H 1.800 . 6.000 2.858 2.349 3.490 . 0 0 "[ . 1 . 2]" 1
252 1 3 GLU HA 1 20 LYS QD 1.800 . 6.000 4.156 3.007 4.961 . 0 0 "[ . 1 . 2]" 1
253 1 3 GLU HA 1 20 LYS QG 1.800 . 3.800 3.426 2.816 3.634 . 0 0 "[ . 1 . 2]" 1
254 1 4 CYS HA 1 19 CYS HA 2.500 2.500 6.000 3.498 3.019 4.432 . 0 0 "[ . 1 . 2]" 1
255 1 4 CYS HA 1 19 CYS HB3 1.800 . 5.000 2.268 1.758 4.246 0.042 1 0 "[ . 1 . 2]" 1
256 1 4 CYS HA 1 19 CYS HB2 1.800 . 5.000 3.326 2.591 3.664 . 0 0 "[ . 1 . 2]" 1
257 1 4 CYS HA 1 20 LYS HB3 2.500 2.500 7.000 5.475 4.303 6.094 . 0 0 "[ . 1 . 2]" 1
258 1 4 CYS HA 1 20 LYS HB2 1.800 . 5.000 4.842 4.458 5.126 0.126 5 0 "[ . 1 . 2]" 1
259 1 4 CYS HA 1 20 LYS QG 1.800 . 5.000 3.118 1.888 3.710 . 0 0 "[ . 1 . 2]" 1
260 1 4 CYS HB3 1 19 CYS HB2 1.800 . 5.000 4.567 2.153 5.225 0.225 7 0 "[ . 1 . 2]" 1
261 1 5 ASP HA 1 20 LYS HB3 2.500 2.500 6.000 5.939 5.449 6.078 0.078 7 0 "[ . 1 . 2]" 1
262 1 5 ASP HA 1 21 LEU MD2 2.500 2.500 7.000 5.800 5.668 5.903 . 0 0 "[ . 1 . 2]" 1
263 1 5 ASP QB 1 20 LYS HB3 1.800 . 3.800 3.363 3.040 3.483 . 0 0 "[ . 1 . 2]" 1
264 1 5 ASP QB 1 21 LEU HG 2.500 2.500 7.000 2.629 2.114 3.237 0.386 8 0 "[ . 1 . 2]" 1
265 1 5 ASP QB 1 21 LEU MD1 1.800 . 7.000 3.584 2.296 4.374 . 0 0 "[ . 1 . 2]" 1
266 1 5 ASP QB 1 21 LEU MD2 1.800 . 7.000 3.719 3.398 3.868 . 0 0 "[ . 1 . 2]" 1
267 1 6 CYS HA 1 28 GLY HA3 2.500 2.500 6.000 4.664 3.451 5.467 . 0 0 "[ . 1 . 2]" 1
268 1 6 CYS HA 1 28 GLY HA2 2.500 2.500 7.000 6.214 5.071 6.967 . 0 0 "[ . 1 . 2]" 1
269 1 6 CYS HA 1 14 CYS QB 2.500 2.500 7.000 4.320 4.004 5.538 . 0 0 "[ . 1 . 2]" 1
270 1 6 CYS HA 1 29 GLU HB3 1.800 . 5.000 4.446 3.163 5.014 0.014 18 0 "[ . 1 . 2]" 1
271 1 6 CYS HA 1 29 GLU QG 1.800 . 6.000 2.936 1.841 5.210 . 0 0 "[ . 1 . 2]" 1
272 1 6 CYS HB2 1 21 LEU MD2 2.500 2.500 7.000 5.309 4.274 5.647 . 0 0 "[ . 1 . 2]" 1
273 1 9 PRO HA 1 16 ALA HA 1.800 . 5.000 3.751 2.996 4.925 . 0 0 "[ . 1 . 2]" 1
274 1 9 PRO HA 1 14 CYS QB 2.500 2.500 7.000 5.309 2.959 6.302 . 0 0 "[ . 1 . 2]" 1
275 1 9 PRO HA 1 16 ALA MB 1.800 . 6.000 2.552 1.740 4.730 0.060 20 0 "[ . 1 . 2]" 1
276 1 9 PRO HB3 1 16 ALA MB 1.800 . 6.000 2.949 2.047 4.066 . 0 0 "[ . 1 . 2]" 1
277 1 13 CYS HA 1 36 CYS HB3 2.500 2.500 6.000 4.504 2.458 5.379 0.042 18 0 "[ . 1 . 2]" 1
278 1 13 CYS HA 1 21 LEU HG 2.500 2.500 6.000 6.105 5.988 6.326 0.326 9 0 "[ . 1 . 2]" 1
279 1 13 CYS HA 1 21 LEU QB 2.500 2.500 7.000 5.188 3.991 6.008 . 0 0 "[ . 1 . 2]" 1
280 1 13 CYS HA 1 21 LEU MD1 2.500 2.500 7.000 5.754 5.395 5.996 . 0 0 "[ . 1 . 2]" 1
281 1 13 CYS HA 1 21 LEU MD2 1.800 . 6.000 3.340 3.156 3.745 . 0 0 "[ . 1 . 2]" 1
282 1 13 CYS HB3 1 29 GLU HB3 2.500 2.500 6.000 6.001 5.765 6.075 0.075 3 0 "[ . 1 . 2]" 1
283 1 13 CYS HB3 1 29 GLU QG 2.500 2.500 7.000 6.074 5.643 6.298 . 0 0 "[ . 1 . 2]" 1
284 1 13 CYS HB3 1 21 LEU MD1 2.500 2.500 7.000 4.800 4.483 5.200 . 0 0 "[ . 1 . 2]" 1
285 1 13 CYS HB3 1 21 LEU MD2 1.800 . 6.000 2.485 2.159 3.030 . 0 0 "[ . 1 . 2]" 1
286 1 13 CYS HB2 1 25 ALA MB 1.800 . 6.000 4.555 4.163 5.074 . 0 0 "[ . 1 . 2]" 1
287 1 14 CYS HA 1 22 ARG HA 1.800 . 5.000 4.447 3.548 5.371 0.371 19 0 "[ . 1 . 2]" 1
288 1 14 CYS HA 1 21 LEU HA 1.800 . 5.000 2.028 1.740 2.726 0.060 19 0 "[ . 1 . 2]" 1
289 1 6 CYS HB3 1 14 CYS HA 2.500 2.500 6.000 4.696 2.750 6.069 0.069 18 0 "[ . 1 . 2]" 1
290 1 14 CYS HA 1 22 ARG QB 1.800 . 6.000 3.484 2.964 4.965 . 0 0 "[ . 1 . 2]" 1
291 1 14 CYS HA 1 21 LEU HG 1.800 . 5.000 4.252 3.828 4.831 . 0 0 "[ . 1 . 2]" 1
292 1 14 CYS HA 1 21 LEU QB 1.800 . 6.000 4.038 1.748 4.830 0.052 19 0 "[ . 1 . 2]" 1
293 1 14 CYS HA 1 21 LEU MD1 2.500 2.500 7.000 5.236 4.031 5.862 . 0 0 "[ . 1 . 2]" 1
294 1 14 CYS HA 1 21 LEU MD2 1.800 . 6.000 3.270 2.760 3.748 . 0 0 "[ . 1 . 2]" 1
295 1 14 CYS QB 1 21 LEU HG 2.500 2.500 7.000 4.619 3.380 6.145 . 0 0 "[ . 1 . 2]" 1
296 1 14 CYS QB 1 21 LEU MD2 2.500 2.500 8.000 3.796 2.957 4.620 . 0 0 "[ . 1 . 2]" 1
297 1 15 ASP HB2 1 20 LYS QB 1.800 . 6.000 4.322 3.761 4.639 . 0 0 "[ . 1 . 2]" 1
298 1 15 ASP HB2 1 20 LYS QG 2.500 2.500 7.000 6.207 5.797 6.338 . 0 0 "[ . 1 . 2]" 1
299 1 15 ASP HB2 1 21 LEU QB 2.500 2.500 7.000 5.590 4.624 6.146 . 0 0 "[ . 1 . 2]" 1
300 1 9 PRO HB3 1 16 ALA HA 1.800 . 5.000 4.519 3.366 4.989 . 0 0 "[ . 1 . 2]" 1
301 1 4 CYS HB3 1 19 CYS HA 1.800 . 5.000 5.028 4.589 5.395 0.395 19 0 "[ . 1 . 2]" 1
302 1 4 CYS HB3 1 19 CYS HB3 1.800 . 5.000 3.845 3.474 4.190 . 0 0 "[ . 1 . 2]" 1
303 1 4 CYS HB2 1 19 CYS HB2 1.800 . 5.000 4.241 3.270 5.291 0.291 5 0 "[ . 1 . 2]" 1
304 1 4 CYS HB3 1 20 LYS HA 2.500 2.500 7.000 5.630 4.992 5.979 . 0 0 "[ . 1 . 2]" 1
305 1 5 ASP QB 1 20 LYS HA 1.800 . 5.000 1.978 1.747 2.519 0.053 17 0 "[ . 1 . 2]" 1
306 1 15 ASP HB3 1 21 LEU HA 2.500 2.500 6.000 5.801 4.419 6.065 0.065 5 0 "[ . 1 . 2]" 1
307 1 15 ASP HB2 1 21 LEU HA 2.500 2.500 6.000 4.870 3.103 5.569 . 0 0 "[ . 1 . 2]" 1
308 1 14 CYS QB 1 21 LEU HA 2.500 2.500 7.000 3.480 2.524 4.590 . 0 0 "[ . 1 . 2]" 1
309 1 25 ALA HA 1 36 CYS HB3 1.800 . 5.000 3.456 2.839 4.348 . 0 0 "[ . 1 . 2]" 1
310 1 25 ALA HA 1 36 CYS HB2 1.800 . 5.000 4.683 3.960 5.314 0.314 19 0 "[ . 1 . 2]" 1
311 1 25 ALA HA 1 37 LYS QE 1.800 . 6.000 4.407 2.695 5.272 . 0 0 "[ . 1 . 2]" 1
312 1 21 LEU HG 1 26 GLN HA 2.500 2.500 6.000 5.911 5.462 6.124 0.124 9 0 "[ . 1 . 2]" 1
313 1 21 LEU HA 1 27 CYS HA 2.500 2.500 6.000 5.808 5.338 6.040 0.040 19 0 "[ . 1 . 2]" 1
314 1 27 CYS HA 1 33 CYS HB3 2.500 2.500 6.000 5.997 5.537 6.123 0.123 1 0 "[ . 1 . 2]" 1
315 1 27 CYS HA 1 62 ALA MB 1.800 . 6.000 4.094 3.248 4.782 . 0 0 "[ . 1 . 2]" 1
316 1 21 LEU QB 1 27 CYS HA 1.800 . 6.000 4.812 3.726 5.169 . 0 0 "[ . 1 . 2]" 1
317 1 21 LEU MD1 1 27 CYS HA 1.800 . 5.000 2.174 1.792 2.753 0.008 11 0 "[ . 1 . 2]" 1
318 1 21 LEU MD2 1 27 CYS HA 1.800 . 3.800 2.912 2.049 3.071 . 0 0 "[ . 1 . 2]" 1
319 1 27 CYS HB3 1 33 CYS HB2 1.800 . 5.000 4.240 3.075 5.087 0.087 3 0 "[ . 1 . 2]" 1
320 1 27 CYS HB3 1 62 ALA MB 1.800 . 3.800 2.561 1.780 3.205 0.020 1 0 "[ . 1 . 2]" 1
321 1 21 LEU MD1 1 27 CYS HB3 2.500 2.500 7.000 4.039 3.661 4.844 . 0 0 "[ . 1 . 2]" 1
322 1 21 LEU MD2 1 27 CYS HB3 2.500 2.500 7.000 4.674 3.946 4.942 . 0 0 "[ . 1 . 2]" 1
323 1 27 CYS HB2 1 62 ALA MB 1.800 . 3.800 2.463 1.840 3.083 . 0 0 "[ . 1 . 2]" 1
324 1 21 LEU MD1 1 27 CYS HB2 1.800 . 6.000 4.225 3.647 4.659 . 0 0 "[ . 1 . 2]" 1
325 1 21 LEU MD2 1 27 CYS HB2 1.800 . 6.000 4.542 3.852 4.735 . 0 0 "[ . 1 . 2]" 1
326 1 13 CYS HB2 1 28 GLY HA3 1.800 . 5.000 3.423 2.001 4.227 . 0 0 "[ . 1 . 2]" 1
327 1 21 LEU MD1 1 28 GLY HA3 2.500 2.500 7.000 4.563 3.948 5.325 . 0 0 "[ . 1 . 2]" 1
328 1 21 LEU MD2 1 28 GLY HA3 1.800 . 6.000 2.560 1.862 3.324 . 0 0 "[ . 1 . 2]" 1
329 1 13 CYS HB3 1 28 GLY HA2 1.800 . 5.000 1.906 1.798 2.017 0.002 9 0 "[ . 1 . 2]" 1
330 1 5 ASP QB 1 28 GLY HA2 2.500 2.500 7.000 5.735 5.048 6.159 . 0 0 "[ . 1 . 2]" 1
331 1 13 CYS HB2 1 28 GLY HA2 1.800 . 5.000 2.528 1.909 3.064 . 0 0 "[ . 1 . 2]" 1
332 1 21 LEU HG 1 28 GLY HA2 2.500 2.500 6.000 4.695 3.920 5.493 . 0 0 "[ . 1 . 2]" 1
333 1 21 LEU MD1 1 28 GLY HA2 2.500 2.500 7.000 4.674 4.099 5.822 . 0 0 "[ . 1 . 2]" 1
334 1 21 LEU MD2 1 28 GLY HA2 1.800 . 6.000 2.668 1.975 3.368 . 0 0 "[ . 1 . 2]" 1
335 1 30 GLY HA3 1 62 ALA MB 1.800 . 3.800 2.484 1.888 3.102 . 0 0 "[ . 1 . 2]" 1
336 1 30 GLY HA2 1 62 ALA MB 1.800 . 6.000 3.857 2.905 4.591 . 0 0 "[ . 1 . 2]" 1
337 1 31 LEU HA 1 64 CYS HB2 2.500 2.500 6.000 5.452 5.064 6.189 0.189 1 0 "[ . 1 . 2]" 1
338 1 32 CYS HA 1 62 ALA HA 1.800 . 5.000 4.934 4.529 5.067 0.067 5 0 "[ . 1 . 2]" 1
339 1 32 CYS HA 1 39 SER HB3 1.800 . 5.000 3.873 2.955 4.612 . 0 0 "[ . 1 . 2]" 1
340 1 32 CYS HA 1 39 SER HB2 1.800 . 5.000 3.602 2.539 4.509 . 0 0 "[ . 1 . 2]" 1
341 1 32 CYS HA 1 43 LYS QE 2.500 2.500 7.000 3.432 2.107 5.353 0.393 7 0 "[ . 1 . 2]" 1
342 1 32 CYS HA 1 57 CYS HB2 2.500 2.500 6.000 5.024 4.068 5.476 . 0 0 "[ . 1 . 2]" 1
343 1 32 CYS HB2 1 62 ALA MB 1.800 . 6.000 4.628 3.610 5.083 . 0 0 "[ . 1 . 2]" 1
344 1 32 CYS HB2 1 43 LYS HG3 2.500 2.500 6.000 4.813 3.436 5.776 . 0 0 "[ . 1 . 2]" 1
345 1 33 CYS HA 1 38 PHE HA 1.800 . 5.000 3.029 2.614 3.469 . 0 0 "[ . 1 . 2]" 1
346 1 33 CYS HA 1 62 ALA HA 2.500 2.500 6.000 3.732 3.009 4.262 . 0 0 "[ . 1 . 2]" 1
347 1 33 CYS HA 1 39 SER HA 2.500 2.500 6.000 4.438 3.748 5.350 . 0 0 "[ . 1 . 2]" 1
348 1 27 CYS HB3 1 33 CYS HA 2.500 2.500 6.000 4.729 3.665 5.702 . 0 0 "[ . 1 . 2]" 1
349 1 27 CYS HB2 1 33 CYS HA 2.500 2.500 6.000 4.820 3.356 6.028 0.028 19 0 "[ . 1 . 2]" 1
350 1 33 CYS HA 1 39 SER HB2 2.500 2.500 6.000 4.193 2.969 5.684 . 0 0 "[ . 1 . 2]" 1
351 1 13 CYS HB3 1 36 CYS HB3 1.800 . 5.000 4.602 2.657 5.115 0.115 3 0 "[ . 1 . 2]" 1
352 1 13 CYS HB2 1 36 CYS HB3 2.500 2.500 6.000 5.185 4.186 6.096 0.096 3 0 "[ . 1 . 2]" 1
353 1 25 ALA MB 1 36 CYS HB3 1.800 . 3.800 1.730 1.606 1.883 0.194 19 0 "[ . 1 . 2]" 1
354 1 21 LEU MD2 1 36 CYS HB3 2.500 2.500 7.000 4.366 3.547 5.241 . 0 0 "[ . 1 . 2]" 1
355 1 25 ALA MB 1 36 CYS HB2 1.800 . 3.800 2.895 1.809 3.126 . 0 0 "[ . 1 . 2]" 1
356 1 21 LEU MD2 1 36 CYS HB2 2.500 2.500 7.000 5.500 4.960 5.919 . 0 0 "[ . 1 . 2]" 1
357 1 26 GLN HA 1 37 LYS HA 1.800 . 5.000 4.835 3.928 5.152 0.152 19 0 "[ . 1 . 2]" 1
358 1 26 GLN HB3 1 37 LYS HA 1.800 . 5.000 3.498 2.382 4.026 . 0 0 "[ . 1 . 2]" 1
359 1 26 GLN HB2 1 37 LYS HA 1.800 . 5.000 2.518 1.908 3.319 . 0 0 "[ . 1 . 2]" 1
360 1 26 GLN HB3 1 38 PHE HA 2.500 2.500 6.000 3.890 3.396 4.328 . 0 0 "[ . 1 . 2]" 1
361 1 26 GLN HB2 1 38 PHE HA 2.500 2.500 6.000 4.795 4.146 5.639 . 0 0 "[ . 1 . 2]" 1
362 1 38 PHE HB2 1 60 GLN QG 2.500 2.500 7.000 5.268 4.231 6.304 . 0 0 "[ . 1 . 2]" 1
363 1 34 GLU QG 1 39 SER HA 1.800 . 6.000 3.834 2.126 5.225 . 0 0 "[ . 1 . 2]" 1
364 1 34 GLU HB3 1 39 SER HA 2.500 2.500 6.000 4.344 2.801 5.994 . 0 0 "[ . 1 . 2]" 1
365 1 34 GLU HB2 1 39 SER HA 1.800 . 5.000 3.611 2.086 4.915 . 0 0 "[ . 1 . 2]" 1
366 1 39 SER HB2 1 57 CYS HB2 1.800 . 5.000 4.367 3.563 5.039 0.039 10 0 "[ . 1 . 2]" 1
367 1 32 CYS HB2 1 39 SER HB2 1.800 . 5.000 3.532 1.883 5.036 0.036 2 0 "[ . 1 . 2]" 1
368 1 40 ARG HA 1 59 GLY HA3 1.800 . 5.000 4.002 3.254 4.871 . 0 0 "[ . 1 . 2]" 1
369 1 41 ALA HA 1 57 CYS HB2 1.800 . 5.000 3.640 3.044 4.147 . 0 0 "[ . 1 . 2]" 1
370 1 42 GLY HA3 1 56 ARG HD3 1.800 . 5.000 4.667 3.960 5.048 0.048 4 0 "[ . 1 . 2]" 1
371 1 42 GLY HA3 1 56 ARG HD2 1.800 . 5.000 3.515 2.935 4.337 . 0 0 "[ . 1 . 2]" 1
372 1 42 GLY HA2 1 56 ARG HB3 1.800 . 5.000 2.870 1.824 4.114 . 0 0 "[ . 1 . 2]" 1
373 1 42 GLY HA2 1 56 ARG HB2 1.800 . 5.000 3.748 3.116 4.381 . 0 0 "[ . 1 . 2]" 1
374 1 43 LYS HA 1 57 CYS HB2 2.500 2.500 6.000 4.777 4.317 5.580 . 0 0 "[ . 1 . 2]" 1
375 1 44 ILE HA 1 56 ARG HD3 1.800 . 5.000 3.125 2.308 4.399 . 0 0 "[ . 1 . 2]" 1
376 1 44 ILE HA 1 54 ASP HB3 2.500 2.500 6.000 4.882 3.706 6.044 0.044 6 0 "[ . 1 . 2]" 1
377 1 44 ILE HA 1 54 ASP HB2 2.500 2.500 6.000 4.799 3.738 5.911 . 0 0 "[ . 1 . 2]" 1
378 1 31 LEU HA 1 45 CYS HA 2.500 2.500 7.000 5.281 4.622 6.285 . 0 0 "[ . 1 . 2]" 1
379 1 45 CYS HA 1 64 CYS HB3 1.800 . 5.000 4.861 3.799 5.094 0.094 15 0 "[ . 1 . 2]" 1
380 1 45 CYS HA 1 64 CYS HB2 1.800 . 5.000 4.304 3.993 5.048 0.048 3 0 "[ . 1 . 2]" 1
381 1 31 LEU HG 1 45 CYS HA 2.500 2.500 6.000 4.723 2.622 6.138 0.138 1 0 "[ . 1 . 2]" 1
382 1 31 LEU HB3 1 45 CYS HA 1.800 . 5.000 3.493 3.171 4.647 . 0 0 "[ . 1 . 2]" 1
383 1 31 LEU HB2 1 45 CYS HA 1.800 . 5.000 5.032 4.549 5.168 0.168 3 0 "[ . 1 . 2]" 1
384 1 31 LEU QD 1 45 CYS HA 1.800 . 7.400 2.551 1.824 3.706 . 0 0 "[ . 1 . 2]" 1
385 1 45 CYS HB3 1 64 CYS HB2 1.800 . 5.000 2.583 2.098 4.227 . 0 0 "[ . 1 . 2]" 1
386 1 31 LEU QD 1 45 CYS HB3 1.800 . 7.400 3.425 2.691 4.774 . 0 0 "[ . 1 . 2]" 1
387 1 46 ARG QD 1 55 ASP HB3 2.500 2.500 6.000 4.920 3.627 5.392 . 0 0 "[ . 1 . 2]" 1
388 1 31 LEU QD 1 46 ARG QD 2.500 2.500 8.400 3.879 2.495 5.141 0.005 1 0 "[ . 1 . 2]" 1
389 1 46 ARG QD 1 55 ASP HB2 2.500 2.500 6.000 4.491 3.770 5.297 . 0 0 "[ . 1 . 2]" 1
390 1 47 ILE HA 1 54 ASP HB2 2.500 2.500 6.000 4.614 2.826 6.015 0.015 14 0 "[ . 1 . 2]" 1
391 1 47 ILE HA 1 54 ASP HB3 1.800 . 5.500 3.920 2.382 5.402 . 0 0 "[ . 1 . 2]" 1
392 1 52 TRP HD1 1 68 HIS HB3 2.500 2.500 6.000 5.034 2.903 6.007 0.007 7 0 "[ . 1 . 2]" 1
393 1 52 TRP HD1 1 68 HIS HB2 2.500 2.500 6.000 5.092 2.565 5.989 . 0 0 "[ . 1 . 2]" 1
394 1 52 TRP HZ2 1 68 HIS HB3 2.500 2.500 7.000 6.051 4.511 7.022 0.022 5 0 "[ . 1 . 2]" 1
395 1 52 TRP HZ2 1 68 HIS HB2 2.500 2.500 7.000 6.157 4.151 7.024 0.024 12 0 "[ . 1 . 2]" 1
396 1 48 ALA HA 1 54 ASP HA 1.800 . 5.000 4.607 3.176 5.111 0.111 5 0 "[ . 1 . 2]" 1
397 1 48 ALA MB 1 54 ASP HA 1.800 . 5.000 2.788 2.003 3.439 . 0 0 "[ . 1 . 2]" 1
398 1 47 ILE HA 1 54 ASP HA 2.500 2.500 6.500 4.142 3.352 4.938 . 0 0 "[ . 1 . 2]" 1
399 1 44 ILE MD 1 54 ASP HA 1.800 . 6.000 3.602 3.051 4.095 . 0 0 "[ . 1 . 2]" 1
400 1 44 ILE QG 1 54 ASP HA 2.500 2.500 7.000 5.663 4.589 6.207 . 0 0 "[ . 1 . 2]" 1
401 1 44 ILE HB 1 54 ASP HB3 2.500 2.500 6.000 5.149 3.718 6.007 0.007 11 0 "[ . 1 . 2]" 1
402 1 44 ILE QG 1 54 ASP HB3 2.500 2.500 6.000 4.153 3.261 5.164 . 0 0 "[ . 1 . 2]" 1
403 1 44 ILE QG 1 54 ASP HB2 2.500 2.500 6.000 4.234 2.455 5.273 0.045 11 0 "[ . 1 . 2]" 1
404 1 48 ALA MB 1 54 ASP HB2 2.500 2.500 7.000 4.741 3.838 5.657 . 0 0 "[ . 1 . 2]" 1
405 1 44 ILE MD 1 54 ASP HB3 1.800 . 3.800 2.272 1.788 3.139 0.012 15 0 "[ . 1 . 2]" 1
406 1 44 ILE MD 1 54 ASP HB2 1.800 . 3.800 2.397 1.766 3.172 0.034 4 0 "[ . 1 . 2]" 1
407 1 55 ASP HA 1 66 ARG HA 2.500 2.500 7.000 6.122 4.967 7.029 0.029 5 0 "[ . 1 . 2]" 1
408 1 46 ARG QB 1 55 ASP HA 1.800 . 6.000 4.910 4.267 5.454 . 0 0 "[ . 1 . 2]" 1
409 1 46 ARG QB 1 55 ASP HB3 1.800 . 6.000 3.131 2.099 4.282 . 0 0 "[ . 1 . 2]" 1
410 1 46 ARG QB 1 55 ASP HB2 1.800 . 6.000 2.546 1.888 3.157 . 0 0 "[ . 1 . 2]" 1
411 1 42 GLY HA3 1 56 ARG HA 2.500 2.500 6.000 5.723 5.260 6.033 0.033 12 0 "[ . 1 . 2]" 1
412 1 42 GLY HA2 1 56 ARG HA 2.500 2.500 6.000 4.286 3.887 4.625 . 0 0 "[ . 1 . 2]" 1
413 1 44 ILE HA 1 56 ARG HA 1.800 . 2.800 2.662 2.501 2.875 0.075 7 0 "[ . 1 . 2]" 1
414 1 41 ALA HA 1 56 ARG HA 2.500 2.500 6.000 6.134 6.084 6.273 0.273 2 0 "[ . 1 . 2]" 1
415 1 44 ILE MG 1 56 ARG HA 1.800 . 6.000 5.054 4.982 5.118 . 0 0 "[ . 1 . 2]" 1
416 1 44 ILE MD 1 56 ARG HA 1.800 . 6.000 3.733 2.999 4.328 . 0 0 "[ . 1 . 2]" 1
417 1 44 ILE MD 1 56 ARG HD3 1.800 . 6.000 3.653 2.764 4.584 . 0 0 "[ . 1 . 2]" 1
418 1 57 CYS HA 1 64 CYS HA 1.800 . 5.000 4.396 3.798 4.786 . 0 0 "[ . 1 . 2]" 1
419 1 57 CYS HA 1 65 PRO HD3 1.800 . 5.000 4.501 3.776 4.839 . 0 0 "[ . 1 . 2]" 1
420 1 57 CYS HA 1 65 PRO HD2 1.800 . 5.000 4.234 3.223 4.832 . 0 0 "[ . 1 . 2]" 1
421 1 45 CYS HB3 1 57 CYS HA 2.500 2.500 6.000 4.498 3.610 4.888 . 0 0 "[ . 1 . 2]" 1
422 1 45 CYS HB2 1 57 CYS HA 2.500 2.500 6.000 5.389 2.484 6.083 0.083 13 0 "[ . 1 . 2]" 1
423 1 57 CYS HA 1 65 PRO HG3 2.500 2.500 6.000 5.552 4.808 6.007 0.007 12 0 "[ . 1 . 2]" 1
424 1 57 CYS HA 1 65 PRO HG2 2.500 2.500 6.000 5.545 4.593 6.038 0.038 1 0 "[ . 1 . 2]" 1
425 1 43 LYS HG3 1 57 CYS HA 2.500 2.500 6.000 5.730 5.083 6.122 0.122 7 0 "[ . 1 . 2]" 1
426 1 41 ALA MB 1 57 CYS HA 2.500 2.500 7.000 5.442 5.131 5.758 . 0 0 "[ . 1 . 2]" 1
427 1 43 LYS HG3 1 57 CYS HB3 1.800 . 5.000 4.791 4.235 5.062 0.062 14 0 "[ . 1 . 2]" 1
428 1 41 ALA MB 1 57 CYS HB3 2.500 2.500 7.000 5.468 4.899 5.858 . 0 0 "[ . 1 . 2]" 1
429 1 43 LYS QB 1 57 CYS HB2 1.800 . 6.000 2.061 1.710 3.785 0.090 7 0 "[ . 1 . 2]" 1
430 1 43 LYS HG3 1 57 CYS HB2 1.800 . 5.000 3.595 2.631 4.392 . 0 0 "[ . 1 . 2]" 1
431 1 43 LYS HG2 1 57 CYS HB2 1.800 . 5.000 3.253 1.785 4.345 0.015 18 0 "[ . 1 . 2]" 1
432 1 41 ALA MB 1 57 CYS HB2 2.500 2.500 7.000 5.047 4.553 5.495 . 0 0 "[ . 1 . 2]" 1
433 1 41 ALA MB 1 58 THR HB 1.800 . 6.000 3.511 3.052 3.949 . 0 0 "[ . 1 . 2]" 1
434 1 41 ALA HA 1 59 GLY HA3 1.800 . 5.000 4.437 4.124 4.799 . 0 0 "[ . 1 . 2]" 1
435 1 41 ALA MB 1 59 GLY HA3 1.800 . 3.800 2.835 2.210 3.264 . 0 0 "[ . 1 . 2]" 1
436 1 32 CYS HB3 1 62 ALA HA 1.800 . 5.000 4.425 2.994 4.899 . 0 0 "[ . 1 . 2]" 1
437 1 32 CYS HB2 1 62 ALA HA 1.800 . 5.000 3.216 2.247 3.947 . 0 0 "[ . 1 . 2]" 1
438 1 31 LEU HG 1 63 ASP HA 1.800 . 5.000 4.993 4.679 5.195 0.195 1 0 "[ . 1 . 2]" 1
439 1 31 LEU HB3 1 63 ASP HB3 2.500 2.500 6.000 5.891 4.449 6.168 0.168 1 0 "[ . 1 . 2]" 1
440 1 31 LEU QD 1 63 ASP HB3 2.500 2.500 8.400 5.062 4.016 6.134 . 0 0 "[ . 1 . 2]" 1
441 1 45 CYS HB3 1 64 CYS HA 2.500 2.500 6.000 4.083 2.522 4.547 . 0 0 "[ . 1 . 2]" 1
442 1 45 CYS HB2 1 64 CYS HA 2.500 2.500 6.000 4.181 3.551 4.454 . 0 0 "[ . 1 . 2]" 1
443 1 31 LEU HB2 1 64 CYS HA 2.500 2.500 6.000 4.769 4.345 6.233 0.233 3 0 "[ . 1 . 2]" 1
444 1 58 THR MG 1 64 CYS HA 2.500 2.500 7.000 5.634 4.875 5.767 . 0 0 "[ . 1 . 2]" 1
445 1 31 LEU QD 1 64 CYS HA 1.800 . 7.400 4.903 4.209 5.423 . 0 0 "[ . 1 . 2]" 1
446 1 31 LEU HG 1 64 CYS HB2 1.800 . 5.000 4.096 3.059 5.067 0.067 5 0 "[ . 1 . 2]" 1
447 1 31 LEU HB3 1 64 CYS HB2 1.800 . 5.000 2.799 2.362 4.196 . 0 0 "[ . 1 . 2]" 1
448 1 31 LEU HB2 1 64 CYS HB2 1.800 . 5.000 3.175 2.791 4.334 . 0 0 "[ . 1 . 2]" 1
449 1 31 LEU QD 1 64 CYS HB2 1.800 . 5.200 3.226 2.399 3.884 . 0 0 "[ . 1 . 2]" 1
450 1 58 THR MG 1 65 PRO HD3 1.800 . 6.000 4.756 3.748 4.994 . 0 0 "[ . 1 . 2]" 1
451 1 45 CYS HB2 1 65 PRO HD2 2.500 2.500 6.000 5.040 3.863 5.675 . 0 0 "[ . 1 . 2]" 1
452 1 45 CYS HB3 1 65 PRO HD3 2.500 2.500 6.000 5.611 3.759 6.078 0.078 6 0 "[ . 1 . 2]" 1
453 1 45 CYS HB2 1 65 PRO HD3 2.500 2.500 6.000 5.789 4.529 6.096 0.096 9 0 "[ . 1 . 2]" 1
454 1 26 GLN HE21 1 38 PHE QE 2.500 2.500 7.400 5.133 3.724 6.531 . 0 0 "[ . 1 . 2]" 1
455 1 26 GLN HA 1 38 PHE QD 2.500 2.500 7.000 4.601 3.930 5.292 . 0 0 "[ . 1 . 2]" 1
456 1 26 GLN HG3 1 38 PHE QD 2.500 2.500 8.400 3.562 2.596 4.749 . 0 0 "[ . 1 . 2]" 1
457 1 26 GLN HG2 1 38 PHE QD 1.800 . 7.400 2.109 1.847 3.543 . 0 0 "[ . 1 . 2]" 1
458 1 26 GLN HB3 1 38 PHE QD 1.800 . 7.400 2.648 2.240 3.096 . 0 0 "[ . 1 . 2]" 1
459 1 26 GLN HB2 1 38 PHE QD 1.800 . 7.400 3.672 3.348 4.520 . 0 0 "[ . 1 . 2]" 1
460 1 26 GLN H 1 38 PHE QE 2.500 2.500 7.000 5.810 5.470 6.112 . 0 0 "[ . 1 . 2]" 1
461 1 26 GLN HG2 1 38 PHE QE 1.800 . 7.400 2.597 1.953 4.140 . 0 0 "[ . 1 . 2]" 1
462 1 26 GLN HB3 1 38 PHE QE 1.800 . 7.400 3.289 2.839 4.277 . 0 0 "[ . 1 . 2]" 1
463 1 26 GLN HB2 1 38 PHE QE 1.800 . 7.400 4.625 4.192 5.530 . 0 0 "[ . 1 . 2]" 1
464 1 27 CYS H 1 38 PHE QD 2.500 2.500 7.000 5.540 4.873 6.012 . 0 0 "[ . 1 . 2]" 1
465 1 27 CYS HA 1 38 PHE QD 2.500 2.500 7.000 5.467 4.269 6.188 . 0 0 "[ . 1 . 2]" 1
466 1 27 CYS HB3 1 38 PHE QD 1.800 . 7.400 3.359 2.227 4.218 . 0 0 "[ . 1 . 2]" 1
467 1 27 CYS HB2 1 38 PHE QD 1.800 . 7.400 4.289 2.614 5.197 . 0 0 "[ . 1 . 2]" 1
468 1 27 CYS H 1 38 PHE QE 2.500 2.500 7.000 5.388 4.928 6.032 . 0 0 "[ . 1 . 2]" 1
469 1 27 CYS HB3 1 38 PHE QE 1.800 . 5.200 2.861 1.843 3.839 . 0 0 "[ . 1 . 2]" 1
470 1 33 CYS HA 1 38 PHE QD 1.800 . 7.400 3.836 3.307 4.332 . 0 0 "[ . 1 . 2]" 1
471 1 33 CYS HB2 1 38 PHE QD 2.500 2.500 8.400 4.645 3.117 6.102 . 0 0 "[ . 1 . 2]" 1
472 1 33 CYS HB2 1 38 PHE QE 2.500 2.500 8.400 5.169 3.850 6.691 . 0 0 "[ . 1 . 2]" 1
473 1 38 PHE QD 1 60 GLN H 2.500 2.500 7.000 5.259 4.735 5.808 . 0 0 "[ . 1 . 2]" 1
474 1 38 PHE QD 1 60 GLN HA 1.800 . 5.200 3.078 2.005 3.620 . 0 0 "[ . 1 . 2]" 1
475 1 38 PHE QE 1 60 GLN H 2.500 2.500 7.000 6.119 5.551 6.542 . 0 0 "[ . 1 . 2]" 1
476 1 38 PHE QD 1 61 SER H 2.500 2.500 7.000 4.169 3.727 4.983 . 0 0 "[ . 1 . 2]" 1
477 1 38 PHE QD 1 61 SER HB2 2.500 2.500 8.400 6.005 5.239 6.704 . 0 0 "[ . 1 . 2]" 1
478 1 38 PHE QE 1 61 SER HA 2.500 2.500 7.000 3.595 2.653 4.846 . 0 0 "[ . 1 . 2]" 1
479 1 38 PHE QE 1 61 SER HB2 2.500 2.500 8.400 5.776 4.837 6.937 . 0 0 "[ . 1 . 2]" 1
480 1 38 PHE QD 1 62 ALA H 1.800 . 7.400 3.923 3.390 4.550 . 0 0 "[ . 1 . 2]" 1
481 1 38 PHE QD 1 62 ALA HA 1.800 . 7.400 3.077 2.560 3.782 . 0 0 "[ . 1 . 2]" 1
482 1 38 PHE QE 1 62 ALA H 1.800 . 7.400 2.848 2.039 3.847 . 0 0 "[ . 1 . 2]" 1
483 1 38 PHE QE 1 62 ALA HA 1.800 . 7.400 3.680 3.008 4.757 . 0 0 "[ . 1 . 2]" 1
484 1 53 ASN HB2 1 67 TYR QD 2.500 2.500 8.400 5.175 2.225 7.195 0.275 4 0 "[ . 1 . 2]" 1
485 1 53 ASN HB3 1 67 TYR QD 2.500 2.500 8.400 4.961 2.207 7.420 0.293 4 0 "[ . 1 . 2]" 1
486 1 53 ASN HB2 1 67 TYR QE 2.500 2.500 8.400 5.135 3.401 7.048 . 0 0 "[ . 1 . 2]" 1
487 1 53 ASN HB3 1 67 TYR QE 2.500 2.500 8.400 5.033 3.191 6.869 . 0 0 "[ . 1 . 2]" 1
488 1 6 CYS HB2 1 11 ASN HD22 2.500 2.500 6.000 4.723 2.685 6.057 0.057 7 0 "[ . 1 . 2]" 1
489 1 6 CYS HB2 1 11 ASN HD21 1.800 . 5.000 3.571 2.259 4.734 . 0 0 "[ . 1 . 2]" 1
490 1 6 CYS HA 1 11 ASN HD21 2.500 2.500 6.000 5.024 3.719 6.016 0.016 17 0 "[ . 1 . 2]" 1
491 1 11 ASN HD22 1 28 GLY HA3 1.800 . 5.000 4.102 2.108 4.966 . 0 0 "[ . 1 . 2]" 1
492 1 11 ASN HD22 1 28 GLY HA2 2.500 2.500 6.000 4.114 2.550 5.173 . 0 0 "[ . 1 . 2]" 1
493 1 11 ASN HD21 1 28 GLY HA2 2.500 2.500 6.000 4.556 3.228 5.795 . 0 0 "[ . 1 . 2]" 1
494 1 11 ASN HD22 1 29 GLU HB3 2.500 2.500 6.000 3.371 2.492 4.506 0.008 17 0 "[ . 1 . 2]" 1
495 1 11 ASN HD22 1 29 GLU HB2 2.500 2.500 6.000 4.523 2.929 6.034 0.034 14 0 "[ . 1 . 2]" 1
496 1 11 ASN HD22 1 29 GLU HG3 2.500 2.500 6.000 5.614 4.406 6.000 . 0 0 "[ . 1 . 2]" 1
497 1 11 ASN HD22 1 29 GLU HG2 2.500 2.500 6.000 4.960 3.769 5.889 . 0 0 "[ . 1 . 2]" 1
498 1 11 ASN HD21 1 29 GLU HG3 2.500 2.500 6.000 5.431 4.602 6.029 0.029 9 0 "[ . 1 . 2]" 1
499 1 11 ASN HD21 1 29 GLU HB2 2.500 2.500 6.000 4.711 2.970 5.760 . 0 0 "[ . 1 . 2]" 1
500 1 11 ASN HD21 1 29 GLU HB3 2.500 2.500 6.000 3.444 2.602 4.722 . 0 0 "[ . 1 . 2]" 1
501 1 11 ASN HD21 1 29 GLU HG2 2.500 2.500 6.000 4.509 3.698 5.938 . 0 0 "[ . 1 . 2]" 1
502 1 26 GLN HE22 1 38 PHE H 2.500 2.500 6.000 5.212 3.986 6.008 0.008 5 0 "[ . 1 . 2]" 1
503 1 4 CYS H 1 6 CYS H 2.500 2.500 6.000 5.106 4.649 5.786 . 0 0 "[ . 1 . 2]" 1
504 1 8 SER H 1 11 ASN H 2.500 2.500 6.000 4.947 4.458 5.900 . 0 0 "[ . 1 . 2]" 1
505 1 11 ASN H 1 13 CYS H 2.500 2.500 6.000 5.309 4.128 6.012 0.012 7 0 "[ . 1 . 2]" 1
506 1 16 ALA H 1 18 THR H 2.500 2.500 6.000 4.244 3.862 4.996 . 0 0 "[ . 1 . 2]" 1
507 1 18 THR H 1 20 LYS H 2.500 2.500 6.000 3.890 2.989 4.792 . 0 0 "[ . 1 . 2]" 1
508 1 15 ASP H 1 19 CYS H 2.500 2.500 6.000 5.089 4.362 5.939 . 0 0 "[ . 1 . 2]" 1
509 1 16 ALA H 1 19 CYS H 2.500 2.500 6.000 4.697 4.314 5.036 . 0 0 "[ . 1 . 2]" 1
510 1 22 ARG H 1 25 ALA H 2.500 2.500 6.000 5.269 3.390 5.806 . 0 0 "[ . 1 . 2]" 1
511 1 31 LEU H 1 33 CYS H 2.500 2.500 6.000 4.663 4.054 5.206 . 0 0 "[ . 1 . 2]" 1
512 1 34 GLU H 1 36 CYS H 2.500 2.500 6.000 5.265 4.350 5.506 . 0 0 "[ . 1 . 2]" 1
513 1 34 GLU H 1 37 LYS H 1.800 . 5.000 3.586 3.050 3.813 . 0 0 "[ . 1 . 2]" 1
514 1 34 GLU H 1 38 PHE H 2.500 2.500 6.000 5.027 4.478 5.325 . 0 0 "[ . 1 . 2]" 1
515 1 35 GLN H 1 37 LYS H 2.500 2.500 6.000 4.445 3.970 4.815 . 0 0 "[ . 1 . 2]" 1
516 1 40 ARG H 1 43 LYS H 2.500 2.500 6.000 6.015 5.870 6.058 0.058 13 0 "[ . 1 . 2]" 1
517 1 41 ALA H 1 43 LYS H 2.500 2.500 6.000 5.282 5.039 5.551 . 0 0 "[ . 1 . 2]" 1
518 1 44 ILE H 1 46 ARG H 2.500 2.500 6.000 5.564 5.124 5.919 . 0 0 "[ . 1 . 2]" 1
519 1 50 GLY H 1 52 TRP H 2.500 2.500 6.000 5.504 3.119 6.114 0.114 14 0 "[ . 1 . 2]" 1
520 1 58 THR H 1 60 GLN H 2.500 2.500 6.000 4.261 3.828 5.123 . 0 0 "[ . 1 . 2]" 1
521 1 58 THR H 1 61 SER H 2.500 2.500 6.000 3.732 3.455 4.232 . 0 0 "[ . 1 . 2]" 1
522 1 59 GLY H 1 61 SER H 1.800 . 5.000 4.197 3.794 4.536 . 0 0 "[ . 1 . 2]" 1
523 1 44 ILE MG 1 45 CYS H 2.500 2.500 7.000 3.851 3.121 4.206 . 0 0 "[ . 1 . 2]" 1
524 1 26 GLN HG2 1 27 CYS H 2.500 2.500 6.000 5.581 5.117 5.832 . 0 0 "[ . 1 . 2]" 1
525 1 37 LYS HG2 1 38 PHE H 2.500 2.500 6.000 3.736 2.884 4.941 . 0 0 "[ . 1 . 2]" 1
526 1 43 LYS HG2 1 44 ILE H 1.800 . 5.000 4.239 3.346 4.655 . 0 0 "[ . 1 . 2]" 1
527 1 12 PRO QG 1 13 CYS H 1.800 . 6.000 3.247 2.344 4.781 . 0 0 "[ . 1 . 2]" 1
528 1 26 GLN HG3 1 27 CYS H 1.800 . 5.000 4.986 4.751 5.054 0.054 12 0 "[ . 1 . 2]" 1
529 1 37 LYS HG3 1 38 PHE H 2.500 2.500 6.000 4.113 2.555 5.329 . 0 0 "[ . 1 . 2]" 1
530 1 43 LYS HG3 1 44 ILE H 1.800 . 5.000 3.009 1.861 4.636 . 0 0 "[ . 1 . 2]" 1
531 1 2 LYS QG 1 4 CYS H 2.500 2.500 7.000 4.406 2.114 6.220 0.386 9 0 "[ . 1 . 2]" 1
532 1 15 ASP H 1 18 THR MG 2.500 2.500 7.000 5.058 3.727 5.787 . 0 0 "[ . 1 . 2]" 1
533 1 17 ALA H 1 18 THR MG 1.800 . 6.000 4.331 3.530 5.100 . 0 0 "[ . 1 . 2]" 1
534 1 18 THR MG 1 19 CYS H 1.800 . 6.000 3.691 2.854 4.179 . 0 0 "[ . 1 . 2]" 1
535 1 20 LYS QG 1 21 LEU H 1.800 . 6.000 3.499 2.908 4.101 . 0 0 "[ . 1 . 2]" 1
536 1 23 PRO QG 1 24 GLY H 2.500 2.500 7.000 4.188 3.596 4.823 . 0 0 "[ . 1 . 2]" 1
537 1 29 GLU QG 1 30 GLY H 2.500 2.500 7.000 3.988 1.934 4.451 0.566 9 1 "[ . +1 . 2]" 1
538 1 35 GLN QG 1 36 CYS H 2.500 2.500 7.000 4.126 3.528 4.472 . 0 0 "[ . 1 . 2]" 1
539 1 34 GLU QG 1 37 LYS H 1.800 . 6.000 4.457 2.449 5.409 . 0 0 "[ . 1 . 2]" 1
540 1 46 ARG HG3 1 47 ILE H 1.800 . 6.000 3.709 1.886 5.246 . 0 0 "[ . 1 . 2]" 1
541 1 47 ILE HG13 1 48 ALA MB 1.800 . 5.500 4.079 3.170 4.543 . 0 0 "[ . 1 . 2]" 1
542 1 46 ARG QB 1 47 ILE H 1.800 . 6.000 2.973 1.881 3.761 . 0 0 "[ . 1 . 2]" 1
543 1 46 ARG HG2 1 47 ILE H 1.800 . 6.000 3.267 1.907 4.423 . 0 0 "[ . 1 . 2]" 1
544 1 46 ARG HA 1 48 ALA H 2.500 2.500 7.000 6.057 3.534 6.743 . 0 0 "[ . 1 . 2]" 1
545 1 47 ILE HB 1 48 ALA H 1.800 . 5.500 4.178 3.853 4.630 . 0 0 "[ . 1 . 2]" 1
546 1 47 ILE HG13 1 48 ALA H 1.800 . 6.000 2.964 1.860 4.731 . 0 0 "[ . 1 . 2]" 1
547 1 47 ILE MG 1 48 ALA H 1.800 . 5.500 3.881 3.349 4.207 . 0 0 "[ . 1 . 2]" 1
548 1 47 ILE MD 1 48 ALA H 1.800 . 6.000 2.917 1.844 5.010 . 0 0 "[ . 1 . 2]" 1
549 1 49 ARG QG 1 50 GLY H 2.500 2.500 7.000 3.724 2.236 4.521 0.264 4 0 "[ . 1 . 2]" 1
550 1 48 ALA MB 1 51 ASP H 2.500 2.500 6.000 4.299 2.522 4.961 . 0 0 "[ . 1 . 2]" 1
551 1 48 ALA MB 1 52 TRP H 1.800 . 5.500 3.809 1.746 4.724 0.054 9 0 "[ . 1 . 2]" 1
552 1 52 TRP HB3 1 53 ASN H 1.800 . 5.000 3.257 2.867 4.137 . 0 0 "[ . 1 . 2]" 1
553 1 52 TRP HB2 1 53 ASN H 1.800 . 5.000 2.289 1.682 4.521 0.118 1 0 "[ . 1 . 2]" 1
554 1 53 ASN HB3 1 54 ASP H 1.800 . 5.000 3.536 2.158 4.283 . 0 0 "[ . 1 . 2]" 1
555 1 53 ASN HB2 1 54 ASP H 1.800 . 5.000 4.279 1.982 4.694 . 0 0 "[ . 1 . 2]" 1
556 1 58 THR MG 1 59 GLY H 2.500 2.500 7.000 3.821 3.622 4.057 . 0 0 "[ . 1 . 2]" 1
557 1 58 THR MG 1 60 GLN H 2.500 2.500 7.000 4.015 3.839 4.271 . 0 0 "[ . 1 . 2]" 1
558 1 58 THR MG 1 61 SER H 2.500 2.500 7.000 4.119 3.829 4.418 . 0 0 "[ . 1 . 2]" 1
559 1 65 PRO QG 1 66 ARG H 2.500 2.500 7.000 4.155 2.116 4.911 0.384 3 0 "[ . 1 . 2]" 1
560 1 66 ARG QG 1 67 TYR H 1.800 . 6.000 3.814 2.144 4.320 . 0 0 "[ . 1 . 2]" 1
561 1 66 ARG QG 1 68 HIS H 2.500 2.500 7.000 4.584 2.355 5.921 0.145 9 0 "[ . 1 . 2]" 1
562 1 31 LEU HG 1 32 CYS H 2.500 2.500 6.000 5.053 2.781 5.670 . 0 0 "[ . 1 . 2]" 1
563 1 21 LEU MD2 1 22 ARG H 1.800 . 6.000 2.654 1.851 3.181 . 0 0 "[ . 1 . 2]" 1
564 1 56 ARG HD2 1 57 CYS H 2.500 2.500 6.000 4.961 3.864 5.894 . 0 0 "[ . 1 . 2]" 1
565 1 21 LEU MD1 1 22 ARG H 1.800 . 6.000 4.663 2.945 5.095 . 0 0 "[ . 1 . 2]" 1
566 1 12 PRO HD3 1 13 CYS H 1.800 . 5.000 3.868 3.602 5.074 0.074 2 0 "[ . 1 . 2]" 1
567 1 12 PRO HD2 1 13 CYS H 1.800 . 5.000 2.683 2.217 4.617 . 0 0 "[ . 1 . 2]" 1
568 1 56 ARG HD3 1 57 CYS H 1.800 . 5.000 4.206 3.374 4.985 . 0 0 "[ . 1 . 2]" 1
569 1 31 LEU QD 1 32 CYS H 2.500 2.500 7.000 3.909 3.356 4.117 . 0 0 "[ . 1 . 2]" 1
570 1 31 LEU QD 1 33 CYS H 2.500 2.500 7.000 4.828 3.866 5.204 . 0 0 "[ . 1 . 2]" 1
571 1 37 LYS QD 1 38 PHE H 2.500 2.500 7.000 3.975 2.515 4.968 . 0 0 "[ . 1 . 2]" 1
572 1 40 ARG QD 1 41 ALA H 1.800 . 6.000 4.474 2.272 5.352 . 0 0 "[ . 1 . 2]" 1
573 1 44 ILE MD 1 45 CYS H 1.800 . 6.000 3.006 2.595 3.443 . 0 0 "[ . 1 . 2]" 1
574 1 44 ILE MD 1 46 ARG H 1.800 . 5.000 2.325 1.998 2.741 . 0 0 "[ . 1 . 2]" 1
575 1 3 GLU HB2 1 4 CYS H 1.800 . 5.000 4.232 1.938 4.677 . 0 0 "[ . 1 . 2]" 1
576 1 4 CYS HB2 1 5 ASP H 1.800 . 5.000 4.571 4.413 4.656 . 0 0 "[ . 1 . 2]" 1
577 1 4 CYS HB2 1 6 CYS H 1.800 . 5.000 4.908 4.087 5.103 0.103 19 0 "[ . 1 . 2]" 1
578 1 6 CYS HB2 1 7 SER H 2.500 2.500 6.000 3.168 2.445 4.103 0.055 4 0 "[ . 1 . 2]" 1
579 1 6 CYS HB2 1 8 SER H 1.800 . 5.000 3.210 2.559 4.313 . 0 0 "[ . 1 . 2]" 1
580 1 8 SER H 1 11 ASN HB2 2.500 2.500 6.000 4.149 3.309 6.007 0.007 9 0 "[ . 1 . 2]" 1
581 1 8 SER HB2 1 10 GLU H 1.800 . 5.000 3.719 2.372 4.650 . 0 0 "[ . 1 . 2]" 1
582 1 10 GLU H 1 11 ASN HB2 1.800 . 5.000 4.022 3.578 5.073 0.073 14 0 "[ . 1 . 2]" 1
583 1 10 GLU HB2 1 11 ASN H 2.500 2.500 6.000 3.825 3.108 4.519 . 0 0 "[ . 1 . 2]" 1
584 1 13 CYS HB2 1 14 CYS H 1.800 . 5.000 3.734 2.553 4.384 . 0 0 "[ . 1 . 2]" 1
585 1 14 CYS HB2 1 15 ASP H 1.800 . 5.000 3.617 1.926 4.562 . 0 0 "[ . 1 . 2]" 1
586 1 15 ASP HB2 1 16 ALA H 1.800 . 5.000 4.491 4.309 4.642 . 0 0 "[ . 1 . 2]" 1
587 1 15 ASP HB2 1 17 ALA H 2.500 2.500 6.000 4.658 4.302 5.144 . 0 0 "[ . 1 . 2]" 1
588 1 15 ASP HB2 1 18 THR H 2.500 2.500 6.000 4.429 4.105 4.796 . 0 0 "[ . 1 . 2]" 1
589 1 15 ASP HB2 1 19 CYS H 2.500 2.500 6.000 5.312 4.662 5.958 . 0 0 "[ . 1 . 2]" 1
590 1 19 CYS HB2 1 20 LYS H 2.500 2.500 6.000 4.524 3.955 4.672 . 0 0 "[ . 1 . 2]" 1
591 1 27 CYS HB2 1 28 GLY H 1.800 . 5.000 3.107 2.317 3.572 . 0 0 "[ . 1 . 2]" 1
592 1 28 GLY H 1 29 GLU HB2 2.500 2.500 6.000 5.881 5.101 6.051 0.051 18 0 "[ . 1 . 2]" 1
593 1 27 CYS HB2 1 29 GLU H 1.800 . 5.000 3.164 2.559 4.395 . 0 0 "[ . 1 . 2]" 1
594 1 29 GLU H 1 33 CYS HB2 2.500 2.500 6.000 4.393 3.518 5.179 . 0 0 "[ . 1 . 2]" 1
595 1 29 GLU HB2 1 30 GLY H 1.800 . 5.000 3.362 2.916 4.248 . 0 0 "[ . 1 . 2]" 1
596 1 30 GLY H 1 33 CYS HB2 1.800 . 5.000 3.411 2.115 4.939 . 0 0 "[ . 1 . 2]" 1
597 1 31 LEU HB2 1 32 CYS H 1.800 . 5.000 3.393 2.888 4.157 . 0 0 "[ . 1 . 2]" 1
598 1 33 CYS HB2 1 34 GLU H 2.500 2.500 6.000 4.492 4.246 4.609 . 0 0 "[ . 1 . 2]" 1
599 1 34 GLU H 1 37 LYS HB2 2.500 2.500 6.000 4.543 3.219 5.699 . 0 0 "[ . 1 . 2]" 1
600 1 34 GLU HB2 1 35 GLN H 1.800 . 5.000 3.119 1.860 3.822 . 0 0 "[ . 1 . 2]" 1
601 1 35 GLN HB2 1 36 CYS H 2.500 2.500 6.000 4.453 3.887 4.694 . 0 0 "[ . 1 . 2]" 1
602 1 35 GLN HB2 1 37 LYS H 2.500 2.500 6.000 5.571 4.978 5.986 . 0 0 "[ . 1 . 2]" 1
603 1 36 CYS HB2 1 37 LYS H 2.500 2.500 6.000 4.332 4.135 4.525 . 0 0 "[ . 1 . 2]" 1
604 1 37 LYS HB2 1 38 PHE H 1.800 . 5.000 4.230 3.698 4.628 . 0 0 "[ . 1 . 2]" 1
605 1 38 PHE HB2 1 39 SER H 1.800 . 5.000 4.467 4.339 4.606 . 0 0 "[ . 1 . 2]" 1
606 1 39 SER HB2 1 40 ARG H 1.800 . 5.000 3.200 2.240 4.176 . 0 0 "[ . 1 . 2]" 1
607 1 55 ASP HB2 1 56 ARG H 1.800 . 5.000 4.404 3.883 4.660 . 0 0 "[ . 1 . 2]" 1
608 1 56 ARG HB2 1 57 CYS H 1.800 . 5.000 4.212 3.511 4.678 . 0 0 "[ . 1 . 2]" 1
609 1 57 CYS HB2 1 58 THR H 2.500 2.500 6.000 3.686 3.202 4.023 . 0 0 "[ . 1 . 2]" 1
610 1 60 GLN H 1 61 SER HB2 1.800 . 5.000 4.175 3.544 5.027 0.027 13 0 "[ . 1 . 2]" 1
611 1 60 GLN HB2 1 61 SER H 2.500 2.500 6.000 3.997 3.650 4.524 . 0 0 "[ . 1 . 2]" 1
612 1 61 SER HB2 1 62 ALA H 1.800 . 5.000 3.987 3.318 4.528 . 0 0 "[ . 1 . 2]" 1
613 1 61 SER HB2 1 63 ASP H 1.800 . 5.000 4.594 3.363 5.046 0.046 10 0 "[ . 1 . 2]" 1
614 1 66 ARG HB2 1 68 HIS H 1.800 . 5.000 4.456 3.330 5.014 0.014 19 0 "[ . 1 . 2]" 1
615 1 67 TYR HB2 1 68 HIS H 1.800 . 5.000 3.865 2.546 4.644 . 0 0 "[ . 1 . 2]" 1
616 1 3 GLU HB3 1 4 CYS H 1.800 . 5.000 4.234 2.081 4.696 . 0 0 "[ . 1 . 2]" 1
617 1 4 CYS HB3 1 5 ASP H 2.500 2.500 6.000 4.264 3.760 4.422 . 0 0 "[ . 1 . 2]" 1
618 1 4 CYS HB3 1 6 CYS H 1.800 . 5.000 3.910 2.891 4.834 . 0 0 "[ . 1 . 2]" 1
619 1 6 CYS HB3 1 7 SER H 2.500 2.500 6.000 3.470 2.472 4.391 0.028 9 0 "[ . 1 . 2]" 1
620 1 6 CYS HB3 1 8 SER H 1.800 . 5.000 3.729 2.149 4.618 . 0 0 "[ . 1 . 2]" 1
621 1 7 SER HB3 1 8 SER H 1.800 . 5.000 4.276 3.571 4.694 . 0 0 "[ . 1 . 2]" 1
622 1 8 SER H 1 11 ASN HB3 1.800 . 5.000 4.657 3.808 5.024 0.024 7 0 "[ . 1 . 2]" 1
623 1 8 SER HB3 1 10 GLU H 1.800 . 5.000 3.058 2.200 4.444 . 0 0 "[ . 1 . 2]" 1
624 1 10 GLU H 1 11 ASN HB3 1.800 . 5.000 4.784 3.415 5.064 0.064 19 0 "[ . 1 . 2]" 1
625 1 10 GLU HB3 1 11 ASN H 1.800 . 5.000 3.936 2.993 4.533 . 0 0 "[ . 1 . 2]" 1
626 1 12 PRO HB3 1 13 CYS H 2.500 2.500 6.000 4.379 3.997 4.711 . 0 0 "[ . 1 . 2]" 1
627 1 12 PRO HB2 1 13 CYS H 1.800 . 5.000 3.717 3.024 4.307 . 0 0 "[ . 1 . 2]" 1
628 1 13 CYS H 1 14 CYS HB3 2.500 2.500 6.000 5.128 3.777 6.133 0.133 9 0 "[ . 1 . 2]" 1
629 1 12 PRO QG 1 14 CYS H 2.500 2.500 7.000 5.299 4.745 6.038 . 0 0 "[ . 1 . 2]" 1
630 1 13 CYS HB3 1 14 CYS H 1.800 . 5.000 4.030 3.075 4.544 . 0 0 "[ . 1 . 2]" 1
631 1 14 CYS HB3 1 15 ASP H 1.800 . 5.000 3.582 2.048 4.462 . 0 0 "[ . 1 . 2]" 1
632 1 15 ASP HB3 1 16 ALA H 1.800 . 5.000 3.962 3.739 4.193 . 0 0 "[ . 1 . 2]" 1
633 1 15 ASP HB3 1 18 THR H 2.500 2.500 6.000 2.747 2.483 3.079 0.017 10 0 "[ . 1 . 2]" 1
634 1 15 ASP HB3 1 19 CYS H 1.800 . 5.000 3.680 2.930 4.490 . 0 0 "[ . 1 . 2]" 1
635 1 19 CYS HB3 1 20 LYS H 2.500 2.500 6.000 4.238 3.589 4.672 . 0 0 "[ . 1 . 2]" 1
636 1 20 LYS HB3 1 21 LEU H 1.800 . 5.000 2.255 1.826 2.892 . 0 0 "[ . 1 . 2]" 1
637 1 27 CYS HB3 1 28 GLY H 1.800 . 5.000 4.076 3.614 4.406 . 0 0 "[ . 1 . 2]" 1
638 1 28 GLY H 1 29 GLU HB3 2.500 2.500 6.000 5.027 4.730 5.335 . 0 0 "[ . 1 . 2]" 1
639 1 27 CYS HB3 1 29 GLU H 1.800 . 5.000 4.584 4.279 4.923 . 0 0 "[ . 1 . 2]" 1
640 1 29 GLU H 1 33 CYS HB3 2.500 2.500 6.000 4.306 3.671 4.912 . 0 0 "[ . 1 . 2]" 1
641 1 31 LEU HB3 1 32 CYS H 1.800 . 5.000 3.216 2.544 3.696 . 0 0 "[ . 1 . 2]" 1
642 1 32 CYS H 1 33 CYS HB3 2.500 2.500 6.000 4.938 3.997 6.008 0.008 3 0 "[ . 1 . 2]" 1
643 1 33 CYS HB3 1 34 GLU H 2.500 2.500 6.000 4.151 3.519 4.592 . 0 0 "[ . 1 . 2]" 1
644 1 34 GLU HB3 1 35 GLN H 2.500 2.500 6.000 2.665 2.399 3.496 0.101 6 0 "[ . 1 . 2]" 1
645 1 35 GLN HB3 1 36 CYS H 2.500 2.500 6.000 4.197 3.095 4.611 . 0 0 "[ . 1 . 2]" 1
646 1 34 GLU HB3 1 37 LYS H 2.500 2.500 6.000 4.080 2.594 5.524 . 0 0 "[ . 1 . 2]" 1
647 1 35 GLN HB3 1 37 LYS H 2.500 2.500 6.000 5.553 5.066 6.058 0.058 5 0 "[ . 1 . 2]" 1
648 1 36 CYS HB3 1 37 LYS H 2.500 2.500 6.000 4.390 4.269 4.564 . 0 0 "[ . 1 . 2]" 1
649 1 37 LYS HB3 1 38 PHE H 1.800 . 5.000 3.279 2.395 3.974 . 0 0 "[ . 1 . 2]" 1
650 1 38 PHE HB3 1 39 SER H 1.800 . 5.000 3.563 3.368 3.904 . 0 0 "[ . 1 . 2]" 1
651 1 39 SER HB3 1 40 ARG H 1.800 . 5.000 2.830 1.976 3.910 . 0 0 "[ . 1 . 2]" 1
652 1 40 ARG QB 1 41 ALA H 1.800 . 3.800 3.083 2.627 3.404 . 0 0 "[ . 1 . 2]" 1
653 1 54 ASP HB3 1 55 ASP H 1.800 . 5.000 3.058 2.229 3.999 . 0 0 "[ . 1 . 2]" 1
654 1 54 ASP HB2 1 55 ASP H 1.800 . 5.000 3.218 2.015 4.254 . 0 0 "[ . 1 . 2]" 1
655 1 55 ASP HB3 1 56 ARG H 1.800 . 5.000 3.837 3.283 4.347 . 0 0 "[ . 1 . 2]" 1
656 1 56 ARG HB3 1 57 CYS H 1.800 . 5.000 3.463 2.415 4.325 . 0 0 "[ . 1 . 2]" 1
657 1 57 CYS HB3 1 58 THR H 1.800 . 5.000 2.773 2.241 3.393 . 0 0 "[ . 1 . 2]" 1
658 1 60 GLN H 1 61 SER HB3 2.500 2.500 6.000 3.982 3.433 5.131 . 0 0 "[ . 1 . 2]" 1
659 1 60 GLN HB3 1 61 SER H 1.800 . 5.000 4.468 4.119 4.692 . 0 0 "[ . 1 . 2]" 1
660 1 61 SER HB3 1 63 ASP H 1.800 . 5.000 4.444 2.834 5.019 0.019 5 0 "[ . 1 . 2]" 1
661 1 63 ASP HB3 1 64 CYS H 1.800 . 5.000 2.324 1.943 2.848 . 0 0 "[ . 1 . 2]" 1
662 1 66 ARG HB3 1 67 TYR H 1.800 . 5.000 3.637 1.863 4.623 . 0 0 "[ . 1 . 2]" 1
663 1 66 ARG HB3 1 68 HIS H 2.500 2.500 6.000 4.449 3.274 5.952 . 0 0 "[ . 1 . 2]" 1
664 1 5 ASP QB 1 6 CYS H 1.800 . 6.000 2.778 2.512 3.330 . 0 0 "[ . 1 . 2]" 1
665 1 8 SER QB 1 11 ASN H 1.800 . 6.000 2.686 2.057 3.978 . 0 0 "[ . 1 . 2]" 1
666 1 17 ALA MB 1 18 THR H 1.800 . 3.800 2.893 2.129 3.203 . 0 0 "[ . 1 . 2]" 1
667 1 21 LEU QB 1 22 ARG H 1.800 . 3.800 3.007 2.023 3.374 . 0 0 "[ . 1 . 2]" 1
668 1 23 PRO QB 1 24 GLY H 1.800 . 6.000 2.794 1.845 4.022 . 0 0 "[ . 1 . 2]" 1
669 1 21 LEU QB 1 25 ALA H 1.800 . 6.000 4.212 3.638 5.054 . 0 0 "[ . 1 . 2]" 1
670 1 23 PRO QB 1 25 ALA H 2.500 2.500 7.000 3.646 2.345 5.775 0.155 15 0 "[ . 1 . 2]" 1
671 1 25 ALA MB 1 26 GLN H 1.800 . 6.000 2.102 1.793 3.027 0.007 19 0 "[ . 1 . 2]" 1
672 1 26 GLN QB 1 27 CYS H 1.800 . 6.000 3.418 2.998 3.749 . 0 0 "[ . 1 . 2]" 1
673 1 41 ALA MB 1 42 GLY H 1.800 . 6.000 2.300 1.935 2.811 . 0 0 "[ . 1 . 2]" 1
674 1 43 LYS HG3 1 46 ARG H 2.500 2.500 7.000 5.756 5.424 7.125 0.125 7 0 "[ . 1 . 2]" 1
675 1 43 LYS HG2 1 46 ARG H 2.500 2.500 7.000 7.026 6.699 7.160 0.160 3 0 "[ . 1 . 2]" 1
676 1 45 CYS HB3 1 46 ARG H 2.500 2.500 6.000 4.188 3.596 4.495 . 0 0 "[ . 1 . 2]" 1
677 1 45 CYS HB2 1 46 ARG H 2.500 2.500 6.000 4.026 3.818 4.265 . 0 0 "[ . 1 . 2]" 1
678 1 48 ALA MB 1 49 ARG H 1.800 . 5.500 2.472 1.837 3.393 . 0 0 "[ . 1 . 2]" 1
679 1 48 ALA HA 1 50 GLY H 2.500 2.500 7.000 4.852 3.519 5.829 . 0 0 "[ . 1 . 2]" 1
680 1 48 ALA MB 1 50 GLY H 2.500 2.500 6.200 3.528 2.218 4.244 0.282 16 0 "[ . 1 . 2]" 1
681 1 49 ARG HB3 1 50 GLY H 1.800 . 6.000 3.537 2.324 4.588 . 0 0 "[ . 1 . 2]" 1
682 1 49 ARG HB2 1 50 GLY H 1.800 . 6.000 2.739 1.757 4.309 0.043 12 0 "[ . 1 . 2]" 1
683 1 51 ASP HB3 1 52 TRP H 2.500 2.500 6.200 3.606 2.331 4.226 0.169 4 0 "[ . 1 . 2]" 1
684 1 51 ASP HB2 1 52 TRP H 2.500 2.500 6.200 4.347 2.700 4.688 . 0 0 "[ . 1 . 2]" 1
685 1 52 TRP HE1 1 53 ASN H 2.500 2.500 6.700 6.480 5.927 6.793 0.093 13 0 "[ . 1 . 2]" 1
686 1 49 ARG H 1 52 TRP HE1 1.800 . 5.000 2.158 1.791 3.580 0.009 8 0 "[ . 1 . 2]" 1
687 1 48 ALA HA 1 52 TRP HE1 1.800 . 5.000 3.903 2.263 4.632 . 0 0 "[ . 1 . 2]" 1
688 1 48 ALA MB 1 52 TRP HE1 1.800 . 5.500 2.571 1.897 3.430 . 0 0 "[ . 1 . 2]" 1
689 1 48 ALA HA 1 52 TRP HD1 1.800 . 5.500 4.502 2.116 5.561 0.061 12 0 "[ . 1 . 2]" 1
690 1 50 GLY HA3 1 52 TRP HD1 2.500 2.500 6.700 5.652 4.446 6.537 . 0 0 "[ . 1 . 2]" 1
691 1 51 ASP HB3 1 52 TRP HD1 2.500 2.500 5.700 5.593 5.082 5.906 0.206 5 0 "[ . 1 . 2]" 1
692 1 51 ASP HB2 1 52 TRP HD1 2.500 2.500 6.200 6.007 5.740 6.366 0.166 11 0 "[ . 1 . 2]" 1
693 1 49 ARG HB2 1 52 TRP HD1 2.500 2.500 6.200 5.170 3.199 6.468 0.268 11 0 "[ . 1 . 2]" 1
694 1 49 ARG QG 1 52 TRP HD1 2.500 2.500 6.700 5.020 3.637 5.857 . 0 0 "[ . 1 . 2]" 1
695 1 48 ALA MB 1 52 TRP HD1 1.800 . 5.000 2.338 1.677 3.348 0.123 4 0 "[ . 1 . 2]" 1
696 1 48 ALA MB 1 52 TRP HE3 2.500 2.500 6.700 4.577 3.146 5.601 . 0 0 "[ . 1 . 2]" 1
697 1 51 ASP HA 1 52 TRP HE3 2.500 2.500 6.700 5.033 3.860 6.776 0.076 13 0 "[ . 1 . 2]" 1
698 1 51 ASP HB3 1 52 TRP HE3 2.500 2.500 5.700 5.658 4.979 5.914 0.214 5 0 "[ . 1 . 2]" 1
699 1 51 ASP HB2 1 52 TRP HE3 2.500 2.500 6.700 6.204 5.356 6.547 . 0 0 "[ . 1 . 2]" 1
700 1 50 GLY HA3 1 52 TRP HE3 2.500 2.500 7.000 6.220 4.691 7.079 0.079 15 0 "[ . 1 . 2]" 1
701 1 50 GLY HA3 1 52 TRP HH2 2.500 2.500 6.200 4.744 3.112 5.835 . 0 0 "[ . 1 . 2]" 1
702 1 50 GLY HA2 1 52 TRP HH2 2.500 2.500 5.700 4.598 3.247 5.728 0.028 13 0 "[ . 1 . 2]" 1
703 1 49 ARG HB2 1 52 TRP HH2 2.500 2.500 6.200 5.990 4.836 6.476 0.276 18 0 "[ . 1 . 2]" 1
704 1 49 ARG HA 1 52 TRP HZ2 2.500 2.500 5.700 4.154 2.477 5.706 0.023 5 0 "[ . 1 . 2]" 1
705 1 48 ALA HA 1 52 TRP HZ2 2.500 2.500 6.500 5.260 4.127 6.759 0.259 5 0 "[ . 1 . 2]" 1
706 1 50 GLY HA3 1 52 TRP HZ2 2.500 2.500 6.200 3.541 2.476 4.969 0.024 2 0 "[ . 1 . 2]" 1
707 1 50 GLY HA2 1 52 TRP HZ2 2.500 2.500 6.200 3.491 2.604 4.275 . 0 0 "[ . 1 . 2]" 1
708 1 49 ARG HB3 1 52 TRP HZ2 2.500 2.500 6.200 4.746 3.530 5.678 . 0 0 "[ . 1 . 2]" 1
709 1 49 ARG HB2 1 52 TRP HZ2 2.500 2.500 6.200 3.764 2.712 4.522 . 0 0 "[ . 1 . 2]" 1
710 1 49 ARG QG 1 52 TRP HZ2 2.500 2.500 7.000 4.705 3.628 5.499 . 0 0 "[ . 1 . 2]" 1
711 1 48 ALA MB 1 52 TRP HZ2 2.500 2.500 7.000 4.022 2.713 5.390 . 0 0 "[ . 1 . 2]" 1
712 1 62 ALA MB 1 63 ASP H 1.800 . 6.000 2.941 2.462 3.532 . 0 0 "[ . 1 . 2]" 1
713 1 65 PRO QB 1 66 ARG H 1.800 . 6.000 2.717 1.822 4.007 . 0 0 "[ . 1 . 2]" 1
714 1 18 THR HB 1 20 LYS H 1.800 . 5.000 4.767 3.427 5.095 0.095 17 0 "[ . 1 . 2]" 1
715 1 44 ILE HB 1 45 CYS H 1.800 . 5.000 4.503 4.248 4.660 . 0 0 "[ . 1 . 2]" 1
716 1 44 ILE HB 1 46 ARG H 2.500 2.500 6.000 4.800 4.354 5.286 . 0 0 "[ . 1 . 2]" 1
717 1 58 THR HB 1 60 GLN H 1.800 . 5.000 3.285 2.973 3.782 . 0 0 "[ . 1 . 2]" 1
718 1 58 THR HB 1 61 SER H 2.500 2.500 6.000 4.474 3.837 5.000 . 0 0 "[ . 1 . 2]" 1
719 1 58 THR HA 1 61 SER H 1.800 . 5.000 4.944 4.615 5.073 0.073 18 0 "[ . 1 . 2]" 1
720 1 7 SER H 1 8 SER HA 2.500 2.500 6.000 4.779 4.583 5.187 . 0 0 "[ . 1 . 2]" 1
721 1 6 CYS HA 1 8 SER H 1.800 . 5.000 4.029 3.680 4.300 . 0 0 "[ . 1 . 2]" 1
722 1 8 SER HA 1 10 GLU H 2.500 2.500 6.000 3.634 3.392 3.954 . 0 0 "[ . 1 . 2]" 1
723 1 9 PRO HA 1 11 ASN H 1.800 . 5.000 3.926 3.549 4.204 . 0 0 "[ . 1 . 2]" 1
724 1 12 PRO HA 1 14 CYS H 2.500 2.500 6.000 3.747 3.313 4.301 . 0 0 "[ . 1 . 2]" 1
725 1 15 ASP HA 1 17 ALA H 1.800 . 5.000 3.638 3.377 3.984 . 0 0 "[ . 1 . 2]" 1
726 1 16 ALA HA 1 19 CYS H 1.800 . 5.000 3.166 2.541 3.904 . 0 0 "[ . 1 . 2]" 1
727 1 23 PRO HA 1 25 ALA H 1.800 . 5.000 4.148 3.705 4.847 . 0 0 "[ . 1 . 2]" 1
728 1 28 GLY H 1 29 GLU HA 2.500 2.500 6.000 4.826 4.550 5.150 . 0 0 "[ . 1 . 2]" 1
729 1 27 CYS HA 1 29 GLU H 1.800 . 5.000 3.863 3.554 4.232 . 0 0 "[ . 1 . 2]" 1
730 1 32 CYS H 1 33 CYS HA 2.500 2.500 6.000 4.774 4.288 5.134 . 0 0 "[ . 1 . 2]" 1
731 1 30 GLY HA2 1 33 CYS H 2.500 2.500 6.000 5.307 4.225 5.973 . 0 0 "[ . 1 . 2]" 1
732 1 30 GLY HA3 1 33 CYS H 1.800 . 5.000 4.196 3.011 4.746 . 0 0 "[ . 1 . 2]" 1
733 1 34 GLU H 1 35 GLN HA 2.500 2.500 6.000 5.846 5.692 5.927 . 0 0 "[ . 1 . 2]" 1
734 1 34 GLU H 1 38 PHE HA 2.500 2.500 6.000 3.836 3.404 4.209 . 0 0 "[ . 1 . 2]" 1
735 1 34 GLU HA 1 36 CYS H 1.800 . 5.000 4.945 4.132 5.036 0.036 1 0 "[ . 1 . 2]" 1
736 1 33 CYS HA 1 37 LYS H 2.500 2.500 6.000 4.286 3.678 4.663 . 0 0 "[ . 1 . 2]" 1
737 1 35 GLN HA 1 37 LYS H 2.500 2.500 6.000 4.405 4.084 4.751 . 0 0 "[ . 1 . 2]" 1
738 1 37 LYS HA 1 39 SER H 2.500 2.500 6.000 5.869 5.459 6.006 0.006 6 0 "[ . 1 . 2]" 1
739 1 41 ALA HA 1 43 LYS H 1.800 . 5.000 3.104 2.921 3.306 . 0 0 "[ . 1 . 2]" 1
740 1 41 ALA MB 1 43 LYS H 2.500 2.500 7.000 4.066 3.829 4.342 . 0 0 "[ . 1 . 2]" 1
741 1 44 ILE HA 1 46 ARG H 1.800 . 5.000 3.299 3.138 3.461 . 0 0 "[ . 1 . 2]" 1
742 1 58 THR HA 1 60 GLN H 1.800 . 5.000 4.195 3.919 4.412 . 0 0 "[ . 1 . 2]" 1
743 1 61 SER HA 1 63 ASP H 1.800 . 5.000 3.861 3.406 4.508 . 0 0 "[ . 1 . 2]" 1
744 1 3 GLU HA 1 4 CYS HA 2.500 2.500 6.000 4.421 4.337 4.616 . 0 0 "[ . 1 . 2]" 1
745 1 6 CYS HA 1 7 SER HA 2.500 2.500 6.000 4.453 4.415 4.532 . 0 0 "[ . 1 . 2]" 1
746 1 4 CYS HB3 1 7 SER HA 2.500 2.500 6.000 4.361 3.543 5.662 . 0 0 "[ . 1 . 2]" 1
747 1 4 CYS HB2 1 7 SER HA 2.500 2.500 6.000 5.408 4.708 6.029 0.029 7 0 "[ . 1 . 2]" 1
748 1 8 SER HA 1 9 PRO HA 1.800 . 5.000 4.462 4.418 4.500 . 0 0 "[ . 1 . 2]" 1
749 1 8 SER HA 1 9 PRO QB 1.800 . 6.000 4.577 4.534 4.622 . 0 0 "[ . 1 . 2]" 1
750 1 8 SER HA 1 10 GLU QB 2.500 2.500 7.000 5.091 4.671 5.645 . 0 0 "[ . 1 . 2]" 1
751 1 8 SER HB2 1 11 ASN HB3 1.800 . 5.000 4.108 2.567 4.990 . 0 0 "[ . 1 . 2]" 1
752 1 8 SER HB2 1 11 ASN HB2 1.800 . 5.000 2.995 1.872 4.728 . 0 0 "[ . 1 . 2]" 1
753 1 8 SER HB2 1 10 GLU QB 2.500 2.500 7.000 4.779 3.714 5.463 . 0 0 "[ . 1 . 2]" 1
754 1 13 CYS HA 1 14 CYS QB 1.800 . 6.000 4.972 4.646 5.393 . 0 0 "[ . 1 . 2]" 1
755 1 13 CYS HA 1 14 CYS HA 2.500 2.500 6.000 4.445 4.356 4.511 . 0 0 "[ . 1 . 2]" 1
756 1 14 CYS HA 1 15 ASP HA 2.500 2.500 6.000 4.473 4.403 4.571 . 0 0 "[ . 1 . 2]" 1
757 1 14 CYS HA 1 15 ASP HB3 1.800 . 5.000 5.013 4.852 5.214 0.214 19 0 "[ . 1 . 2]" 1
758 1 14 CYS HA 1 15 ASP HB2 2.500 2.500 6.000 4.183 3.882 4.403 . 0 0 "[ . 1 . 2]" 1
759 1 14 CYS QB 1 15 ASP HA 2.500 2.500 6.000 4.594 3.934 5.111 . 0 0 "[ . 1 . 2]" 1
760 1 15 ASP HB3 1 18 THR MG 1.800 . 6.000 2.973 1.971 3.841 . 0 0 "[ . 1 . 2]" 1
761 1 15 ASP HB2 1 18 THR MG 1.800 . 6.000 3.981 2.856 4.764 . 0 0 "[ . 1 . 2]" 1
762 1 14 CYS QB 1 16 ALA HA 2.500 2.500 7.000 5.034 4.477 5.742 . 0 0 "[ . 1 . 2]" 1
763 1 16 ALA HA 1 19 CYS HA 2.500 2.500 7.000 3.374 2.695 3.950 . 0 0 "[ . 1 . 2]" 1
764 1 20 LYS HA 1 21 LEU MD1 2.500 2.500 7.000 5.344 3.841 5.903 . 0 0 "[ . 1 . 2]" 1
765 1 20 LYS HA 1 21 LEU MD2 2.500 2.500 7.000 5.408 5.110 5.912 . 0 0 "[ . 1 . 2]" 1
766 1 21 LEU QB 1 23 PRO HA 2.500 2.500 7.000 5.054 4.216 6.145 . 0 0 "[ . 1 . 2]" 1
767 1 21 LEU MD2 1 23 PRO HA 2.500 2.500 7.000 5.609 5.371 5.684 . 0 0 "[ . 1 . 2]" 1
768 1 22 ARG HD3 1 23 PRO HD2 2.500 2.500 6.000 4.796 3.136 6.033 0.033 10 0 "[ . 1 . 2]" 1
769 1 22 ARG HD2 1 23 PRO HD2 2.500 2.500 6.000 5.063 3.531 6.019 0.019 1 0 "[ . 1 . 2]" 1
770 1 21 LEU QB 1 23 PRO HD2 1.800 . 6.000 3.854 2.513 5.539 . 0 0 "[ . 1 . 2]" 1
771 1 24 GLY HA2 1 25 ALA MB 2.500 2.500 7.000 4.680 4.235 5.009 . 0 0 "[ . 1 . 2]" 1
772 1 25 ALA HA 1 26 GLN HG3 2.500 2.500 6.000 5.488 5.024 6.040 0.040 13 0 "[ . 1 . 2]" 1
773 1 25 ALA HA 1 26 GLN HA 2.500 2.500 6.000 4.489 4.394 4.607 . 0 0 "[ . 1 . 2]" 1
774 1 27 CYS HA 1 28 GLY HA2 1.800 . 5.000 4.427 4.367 4.464 . 0 0 "[ . 1 . 2]" 1
775 1 26 GLN HG3 1 27 CYS HB3 2.500 2.500 6.000 5.818 5.225 6.016 0.016 6 0 "[ . 1 . 2]" 1
776 1 26 GLN HB3 1 27 CYS HB3 2.500 2.500 6.000 3.665 3.184 4.136 . 0 0 "[ . 1 . 2]" 1
777 1 26 GLN HB2 1 27 CYS HB3 2.500 2.500 6.000 4.894 4.139 5.420 . 0 0 "[ . 1 . 2]" 1
778 1 28 GLY HA2 1 29 GLU HB3 2.500 2.500 6.000 4.684 4.494 5.595 . 0 0 "[ . 1 . 2]" 1
779 1 28 GLY HA2 1 29 GLU HB2 2.500 2.500 6.000 5.873 4.509 6.083 0.083 20 0 "[ . 1 . 2]" 1
780 1 28 GLY HA2 1 29 GLU QG 2.500 2.500 7.000 4.864 4.177 6.138 . 0 0 "[ . 1 . 2]" 1
781 1 29 GLU HA 1 33 CYS HB3 2.500 2.500 6.000 3.632 2.663 4.462 . 0 0 "[ . 1 . 2]" 1
782 1 29 GLU HA 1 33 CYS HB2 2.500 2.500 6.000 4.221 2.853 5.431 . 0 0 "[ . 1 . 2]" 1
783 1 30 GLY HA3 1 31 LEU HB2 2.500 2.500 6.000 4.855 4.598 5.839 . 0 0 "[ . 1 . 2]" 1
784 1 30 GLY HA3 1 31 LEU QD 1.800 . 7.400 4.971 4.313 5.516 . 0 0 "[ . 1 . 2]" 1
785 1 30 GLY HA2 1 33 CYS HB3 2.500 2.500 6.000 5.088 4.094 6.005 0.005 12 0 "[ . 1 . 2]" 1
786 1 31 LEU HA 1 32 CYS HA 2.500 2.500 6.000 4.550 4.496 4.642 . 0 0 "[ . 1 . 2]" 1
787 1 31 LEU QD 1 32 CYS HA 2.500 2.500 7.000 4.255 2.857 4.781 . 0 0 "[ . 1 . 2]" 1
788 1 33 CYS HA 1 34 GLU HB3 2.500 2.500 6.000 5.132 4.506 5.781 . 0 0 "[ . 1 . 2]" 1
789 1 33 CYS HA 1 34 GLU HB2 2.500 2.500 6.000 4.756 4.227 5.877 . 0 0 "[ . 1 . 2]" 1
790 1 33 CYS HA 1 34 GLU QG 2.500 2.500 7.000 4.961 3.319 5.862 . 0 0 "[ . 1 . 2]" 1
791 1 33 CYS HA 1 34 GLU HA 2.500 2.500 6.000 4.502 4.425 4.605 . 0 0 "[ . 1 . 2]" 1
792 1 37 LYS HA 1 38 PHE HA 2.500 2.500 6.000 4.415 4.377 4.508 . 0 0 "[ . 1 . 2]" 1
793 1 38 PHE HA 1 39 SER HA 1.800 . 5.000 4.471 4.436 4.553 . 0 0 "[ . 1 . 2]" 1
794 1 39 SER HB3 1 43 LYS QE 2.500 2.500 7.000 3.661 1.816 4.960 0.684 6 2 "[ .+ 1 . - 2]" 1
795 1 39 SER HB2 1 43 LYS QD 1.800 . 6.000 4.120 2.084 5.363 . 0 0 "[ . 1 . 2]" 1
796 1 39 SER HB2 1 43 LYS HG3 1.800 . 5.000 4.906 3.327 5.088 0.088 4 0 "[ . 1 . 2]" 1
797 1 39 SER HB2 1 43 LYS HG2 2.500 2.500 6.000 3.649 3.044 5.214 . 0 0 "[ . 1 . 2]" 1
798 1 40 ARG HA 1 41 ALA HA 1.800 . 5.000 4.396 4.366 4.453 . 0 0 "[ . 1 . 2]" 1
799 1 38 PHE HB2 1 40 ARG HA 2.500 2.500 6.000 6.025 5.850 6.088 0.088 6 0 "[ . 1 . 2]" 1
800 1 40 ARG HA 1 41 ALA MB 1.800 . 6.000 4.111 4.028 4.239 . 0 0 "[ . 1 . 2]" 1
801 1 41 ALA MB 1 42 GLY HA2 2.500 2.500 7.000 4.013 3.893 4.189 . 0 0 "[ . 1 . 2]" 1
802 1 42 GLY HA2 1 44 ILE HA 2.500 2.500 6.000 5.985 5.779 6.127 0.127 6 0 "[ . 1 . 2]" 1
803 1 44 ILE HA 1 45 CYS HB2 2.500 2.500 6.000 5.555 4.340 5.851 . 0 0 "[ . 1 . 2]" 1
804 1 45 CYS HA 1 46 ARG HA 1.800 . 5.000 4.522 4.467 4.594 . 0 0 "[ . 1 . 2]" 1
805 1 44 ILE HA 1 45 CYS HA 1.800 . 5.000 4.501 4.442 4.561 . 0 0 "[ . 1 . 2]" 1
806 1 43 LYS HG3 1 45 CYS HA 2.500 2.500 6.000 3.872 3.438 4.674 . 0 0 "[ . 1 . 2]" 1
807 1 43 LYS HG2 1 45 CYS HA 2.500 2.500 6.000 4.765 4.364 5.550 . 0 0 "[ . 1 . 2]" 1
808 1 44 ILE MD 1 45 CYS HA 1.800 . 6.000 4.765 4.221 4.931 . 0 0 "[ . 1 . 2]" 1
809 1 46 ARG H 1 47 ILE HA 2.500 2.500 7.000 4.565 4.306 4.730 . 0 0 "[ . 1 . 2]" 1
810 1 44 ILE QG 1 46 ARG H 2.500 2.500 7.000 3.191 1.942 4.719 0.558 2 2 "[ + .- 1 . 2]" 1
811 1 44 ILE HA 1 46 ARG HA 1.800 . 6.000 6.013 5.845 6.127 0.127 6 0 "[ . 1 . 2]" 1
812 1 46 ARG HA 1 47 ILE MG 1.800 . 6.000 3.680 3.230 3.982 . 0 0 "[ . 1 . 2]" 1
813 1 46 ARG HA 1 47 ILE MD 2.500 2.500 7.000 5.675 5.381 5.836 . 0 0 "[ . 1 . 2]" 1
814 1 47 ILE MG 1 49 ARG HA 2.500 2.500 7.000 4.959 3.735 5.702 . 0 0 "[ . 1 . 2]" 1
815 1 47 ILE MD 1 49 ARG HA 2.500 2.500 7.000 5.196 3.237 5.757 . 0 0 "[ . 1 . 2]" 1
816 1 49 ARG HA 1 50 GLY HA3 2.500 2.500 6.000 5.043 4.733 5.359 . 0 0 "[ . 1 . 2]" 1
817 1 47 ILE MG 1 49 ARG QD 2.500 2.500 8.000 4.169 1.894 5.606 0.606 2 1 "[ + . 1 . 2]" 1
818 1 47 ILE MD 1 49 ARG QD 2.500 2.500 8.000 5.443 3.429 5.909 . 0 0 "[ . 1 . 2]" 1
819 1 48 ALA MB 1 49 ARG QD 2.500 2.500 7.000 4.615 3.545 5.243 . 0 0 "[ . 1 . 2]" 1
820 1 48 ALA MB 1 49 ARG QG 2.500 2.500 7.000 3.974 3.376 4.763 . 0 0 "[ . 1 . 2]" 1
821 1 50 GLY HA2 1 51 ASP HB2 2.500 2.500 7.000 4.547 3.823 5.562 . 0 0 "[ . 1 . 2]" 1
822 1 50 GLY HA3 1 51 ASP HA 2.500 2.500 7.000 4.796 4.380 5.381 . 0 0 "[ . 1 . 2]" 1
823 1 48 ALA MB 1 52 TRP HA 2.500 2.500 6.500 4.469 1.837 5.315 0.663 4 3 "[ +* 1- . 2]" 1
824 1 48 ALA MB 1 52 TRP HB3 2.500 2.500 6.500 4.322 3.537 4.837 . 0 0 "[ . 1 . 2]" 1
825 1 48 ALA MB 1 52 TRP HB2 2.500 2.500 6.500 3.740 3.370 4.309 . 0 0 "[ . 1 . 2]" 1
826 1 56 ARG HA 1 57 CYS HA 2.500 2.500 6.000 4.494 4.416 4.649 . 0 0 "[ . 1 . 2]" 1
827 1 56 ARG HA 1 57 CYS HB2 2.500 2.500 6.000 4.775 4.337 5.404 . 0 0 "[ . 1 . 2]" 1
828 1 57 CYS HA 1 58 THR MG 1.800 . 6.000 3.315 3.137 3.523 . 0 0 "[ . 1 . 2]" 1
829 1 58 THR HB 1 60 GLN QB 1.800 . 6.000 4.756 4.198 5.242 . 0 0 "[ . 1 . 2]" 1
830 1 58 THR HB 1 60 GLN QG 1.800 . 6.000 4.427 2.951 5.289 . 0 0 "[ . 1 . 2]" 1
831 1 59 GLY HA3 1 60 GLN QG 1.800 . 6.000 3.618 3.126 4.901 . 0 0 "[ . 1 . 2]" 1
832 1 63 ASP HA 1 64 CYS HB3 2.500 2.500 6.000 4.691 4.374 5.702 . 0 0 "[ . 1 . 2]" 1
833 1 63 ASP HA 1 64 CYS HB2 2.500 2.500 6.000 4.472 4.191 4.854 . 0 0 "[ . 1 . 2]" 1
834 1 64 CYS HA 1 65 PRO HA 2.500 2.500 6.000 4.411 4.375 4.471 . 0 0 "[ . 1 . 2]" 1
835 1 64 CYS HA 1 65 PRO HD3 1.800 . 2.800 1.891 1.805 2.107 . 0 0 "[ . 1 . 2]" 1
836 1 64 CYS HA 1 65 PRO HD2 1.800 . 2.800 2.190 2.028 2.296 . 0 0 "[ . 1 . 2]" 1
837 1 63 ASP HB3 1 64 CYS HA 2.500 2.500 6.000 4.776 4.218 5.107 . 0 0 "[ . 1 . 2]" 1
838 1 63 ASP HB2 1 64 CYS HA 2.500 2.500 6.000 4.368 4.152 5.096 . 0 0 "[ . 1 . 2]" 1
839 1 64 CYS HA 1 65 PRO HB2 2.500 2.500 6.000 5.342 5.322 5.356 . 0 0 "[ . 1 . 2]" 1
840 1 64 CYS HA 1 65 PRO HB3 1.800 . 5.000 4.854 4.795 4.979 . 0 0 "[ . 1 . 2]" 1
841 1 64 CYS HA 1 65 PRO HG3 1.800 . 5.000 4.107 4.053 4.233 . 0 0 "[ . 1 . 2]" 1
842 1 64 CYS HA 1 65 PRO HG2 1.800 . 5.000 4.268 4.214 4.318 . 0 0 "[ . 1 . 2]" 1
843 1 63 ASP HB3 1 65 PRO HA 2.500 2.500 6.000 5.884 4.795 6.025 0.025 11 0 "[ . 1 . 2]" 1
844 1 63 ASP HB2 1 65 PRO HA 2.500 2.500 6.000 5.625 5.007 6.040 0.040 9 0 "[ . 1 . 2]" 1
845 1 64 CYS HB3 1 65 PRO HD3 2.500 2.500 6.000 4.603 3.811 4.772 . 0 0 "[ . 1 . 2]" 1
846 1 64 CYS HB2 1 65 PRO HD3 2.500 2.500 6.000 4.315 4.091 4.817 . 0 0 "[ . 1 . 2]" 1
847 1 64 CYS HB3 1 65 PRO HD2 2.500 2.500 6.000 4.168 2.800 4.786 . 0 0 "[ . 1 . 2]" 1
848 1 64 CYS HB2 1 65 PRO HD2 2.500 2.500 6.000 3.944 3.616 4.635 . 0 0 "[ . 1 . 2]" 1
849 1 34 GLU H 1 38 PHE QD 2.500 2.500 7.000 5.243 4.820 5.840 . 0 0 "[ . 1 . 2]" 1
850 1 37 LYS HA 1 38 PHE QD 2.500 2.500 7.000 4.918 4.155 5.122 . 0 0 "[ . 1 . 2]" 1
851 1 66 ARG HA 1 67 TYR QD 2.500 2.500 7.000 4.684 2.701 6.017 . 0 0 "[ . 1 . 2]" 1
852 1 67 TYR H 1 67 TYR QD 1.800 . 7.400 3.690 1.864 4.515 . 0 0 "[ . 1 . 2]" 1
853 1 67 TYR QD 1 68 HIS H 1.800 . 7.400 4.139 2.102 4.898 . 0 0 "[ . 1 . 2]" 1
854 1 8 SER H 1 11 ASN HD22 2.500 2.500 6.000 5.696 4.068 6.030 0.030 19 0 "[ . 1 . 2]" 1
855 1 8 SER HB2 1 11 ASN HD22 2.500 2.500 6.000 5.028 4.223 6.015 0.015 2 0 "[ . 1 . 2]" 1
856 1 8 SER HB2 1 11 ASN HD21 2.500 2.500 6.000 3.983 2.598 4.994 . 0 0 "[ . 1 . 2]" 1
857 1 8 SER H 1 11 ASN HD21 2.500 2.500 6.000 4.360 3.392 5.024 . 0 0 "[ . 1 . 2]" 1
858 1 11 ASN HD22 1 13 CYS HB2 2.500 2.500 6.000 3.715 2.459 5.376 0.041 9 0 "[ . 1 . 2]" 1
859 1 11 ASN HD22 1 13 CYS H 2.500 2.500 6.000 4.329 3.207 5.131 . 0 0 "[ . 1 . 2]" 1
860 1 11 ASN HD21 1 13 CYS HB2 2.500 2.500 6.000 4.199 2.483 5.696 0.017 1 0 "[ . 1 . 2]" 1
861 1 11 ASN HD21 1 13 CYS H 2.500 2.500 6.000 4.448 3.308 5.333 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 6
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 CYS SG 1 19 CYS SG 2.020 . 2.120 2.014 2.006 2.023 . 0 0 "[ . 1 . 2]" 2
2 1 6 CYS SG 1 14 CYS SG 2.020 . 2.120 2.019 2.016 2.026 . 0 0 "[ . 1 . 2]" 2
3 1 13 CYS SG 1 36 CYS SG 2.020 . 2.120 2.018 2.014 2.021 . 0 0 "[ . 1 . 2]" 2
4 1 27 CYS SG 1 33 CYS SG 2.020 . 2.120 2.019 2.013 2.023 . 0 0 "[ . 1 . 2]" 2
5 1 32 CYS SG 1 57 CYS SG 2.020 . 2.120 2.020 2.016 2.023 . 0 0 "[ . 1 . 2]" 2
6 1 45 CYS SG 1 64 CYS SG 2.020 . 2.120 2.014 2.000 2.022 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 69
_Distance_constraint_stats_list.Viol_count 657
_Distance_constraint_stats_list.Viol_total 1287.938
_Distance_constraint_stats_list.Viol_max 0.264
_Distance_constraint_stats_list.Viol_rms 0.0640
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0467
_Distance_constraint_stats_list.Viol_average_violations_only 0.0980
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 GLU 1.031 0.157 10 0 "[ . 1 . 2]"
1 4 CYS 1.582 0.182 13 0 "[ . 1 . 2]"
1 6 CYS 0.181 0.112 19 0 "[ . 1 . 2]"
1 7 SER 0.218 0.074 11 0 "[ . 1 . 2]"
1 8 SER 1.235 0.079 6 0 "[ . 1 . 2]"
1 9 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASN 1.756 0.162 11 0 "[ . 1 . 2]"
1 12 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 CYS 0.527 0.129 2 0 "[ . 1 . 2]"
1 15 ASP 3.206 0.194 11 0 "[ . 1 . 2]"
1 16 ALA 1.976 0.149 13 0 "[ . 1 . 2]"
1 18 THR 1.041 0.187 13 0 "[ . 1 . 2]"
1 19 CYS 1.469 0.136 12 0 "[ . 1 . 2]"
1 20 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 1.299 0.149 9 0 "[ . 1 . 2]"
1 26 GLN 1.399 0.145 20 0 "[ . 1 . 2]"
1 27 CYS 1.519 0.163 20 0 "[ . 1 . 2]"
1 30 GLY 1.002 0.124 10 0 "[ . 1 . 2]"
1 31 LEU 1.771 0.183 6 0 "[ . 1 . 2]"
1 33 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLU 2.136 0.166 2 0 "[ . 1 . 2]"
1 35 GLN 0.652 0.050 20 0 "[ . 1 . 2]"
1 36 CYS 0.097 0.097 14 0 "[ . 1 . 2]"
1 39 SER 2.446 0.210 12 0 "[ . 1 . 2]"
1 40 ARG 4.194 0.195 4 0 "[ . 1 . 2]"
1 42 GLY 1.314 0.152 4 0 "[ . 1 . 2]"
1 43 LYS 3.196 0.181 6 0 "[ . 1 . 2]"
1 44 ILE 0.705 0.142 14 0 "[ . 1 . 2]"
1 45 CYS 0.396 0.138 5 0 "[ . 1 . 2]"
1 47 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ALA 1.381 0.169 4 0 "[ . 1 . 2]"
1 49 ARG 3.247 0.198 9 0 "[ . 1 . 2]"
1 50 GLY 2.328 0.171 4 0 "[ . 1 . 2]"
1 51 ASP 3.049 0.171 1 0 "[ . 1 . 2]"
1 52 TRP 1.881 0.264 6 0 "[ . 1 . 2]"
1 54 ASP 1.568 0.192 5 0 "[ . 1 . 2]"
1 55 ASP 2.958 0.207 19 0 "[ . 1 . 2]"
1 56 ARG 2.015 0.206 19 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 SER 0.215 0.189 7 0 "[ . 1 . 2]"
1 63 ASP 3.692 0.209 6 0 "[ . 1 . 2]"
1 66 ARG 2.045 0.162 2 0 "[ . 1 . 2]"
1 67 TYR 3.671 0.205 7 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 30 GLY H 1 30 GLY HA2 1.800 . 2.800 2.850 2.834 2.924 0.124 10 0 "[ . 1 . 2]" 3
2 1 42 GLY H 1 42 GLY HA3 1.800 . 2.800 2.865 2.792 2.952 0.152 4 0 "[ . 1 . 2]" 3
3 1 50 GLY H 1 50 GLY HA3 1.800 . 2.800 2.588 2.346 2.840 0.040 3 0 "[ . 1 . 2]" 3
4 1 50 GLY H 1 50 GLY HA2 1.800 . 2.800 2.909 2.834 2.971 0.171 4 0 "[ . 1 . 2]" 3
5 1 59 GLY H 1 59 GLY QA 1.800 . 2.800 2.300 2.254 2.354 . 0 0 "[ . 1 . 2]" 3
6 1 11 ASN H 1 11 ASN HA 1.800 . 2.800 2.888 2.833 2.962 0.162 11 0 "[ . 1 . 2]" 3
7 1 16 ALA H 1 16 ALA HA 1.800 . 2.800 2.899 2.820 2.949 0.149 13 0 "[ . 1 . 2]" 3
8 1 19 CYS H 1 19 CYS HA 1.800 . 2.800 2.360 2.337 2.377 . 0 0 "[ . 1 . 2]" 3
9 1 25 ALA H 1 25 ALA HA 1.800 . 2.800 2.865 2.824 2.949 0.149 9 0 "[ . 1 . 2]" 3
10 1 27 CYS H 1 27 CYS HA 1.800 . 2.800 2.849 2.822 2.886 0.086 2 0 "[ . 1 . 2]" 3
11 1 31 LEU HA 1 33 CYS H 2.500 2.500 6.000 4.340 3.608 5.015 . 0 0 "[ . 1 . 2]" 3
12 1 35 GLN H 1 35 GLN HA 1.800 . 2.800 2.833 2.823 2.850 0.050 20 0 "[ . 1 . 2]" 3
13 1 36 CYS H 1 36 CYS HA 1.800 . 2.800 2.375 2.339 2.897 0.097 14 0 "[ . 1 . 2]" 3
14 1 40 ARG H 1 40 ARG HA 1.800 . 2.800 2.935 2.898 2.955 0.155 6 0 "[ . 1 . 2]" 3
15 1 43 LYS H 1 43 LYS HA 1.800 . 2.800 2.960 2.922 2.981 0.181 6 0 "[ . 1 . 2]" 3
16 1 48 ALA H 1 48 ALA HA 1.800 . 2.800 2.844 2.346 2.969 0.169 4 0 "[ . 1 . 2]" 3
17 1 51 ASP H 1 51 ASP HA 1.800 . 2.800 2.686 2.345 2.971 0.171 1 0 "[ . 1 . 2]" 3
18 1 52 TRP H 1 52 TRP HE3 2.500 2.500 6.000 3.990 2.236 5.902 0.264 6 0 "[ . 1 . 2]" 3
19 1 52 TRP H 1 52 TRP HD1 2.500 2.500 6.000 3.920 2.444 5.238 0.056 17 0 "[ . 1 . 2]" 3
20 1 66 ARG H 1 66 ARG HA 1.800 . 2.800 2.902 2.834 2.962 0.162 2 0 "[ . 1 . 2]" 3
21 1 67 TYR H 1 67 TYR HA 1.800 . 2.800 2.889 2.833 2.968 0.168 19 0 "[ . 1 . 2]" 3
22 1 3 GLU HA 1 3 GLU HB3 1.800 . 2.800 2.581 2.260 2.948 0.148 5 0 "[ . 1 . 2]" 3
23 1 3 GLU HA 1 3 GLU HB2 1.800 . 2.800 2.672 2.391 2.957 0.157 10 0 "[ . 1 . 2]" 3
24 1 4 CYS HA 1 4 CYS HB3 1.800 . 2.800 2.782 2.504 2.982 0.182 13 0 "[ . 1 . 2]" 3
25 1 6 CYS HA 1 6 CYS HB3 1.800 . 2.800 2.539 2.268 2.912 0.112 19 0 "[ . 1 . 2]" 3
26 1 7 SER HA 1 7 SER HB3 1.800 . 2.800 2.511 2.253 2.843 0.043 15 0 "[ . 1 . 2]" 3
27 1 7 SER HA 1 7 SER HB2 1.800 . 2.800 2.536 2.254 2.874 0.074 11 0 "[ . 1 . 2]" 3
28 1 8 SER HA 1 8 SER HB3 1.800 . 2.800 2.639 2.251 2.862 0.062 1 0 "[ . 1 . 2]" 3
29 1 8 SER HA 1 8 SER HB2 1.800 . 2.800 2.823 2.706 2.879 0.079 6 0 "[ . 1 . 2]" 3
30 1 9 PRO HA 1 9 PRO HB3 1.800 . 2.800 2.305 2.304 2.308 . 0 0 "[ . 1 . 2]" 3
31 1 10 GLU HA 1 10 GLU QB 1.800 . 2.800 2.435 2.199 2.550 . 0 0 "[ . 1 . 2]" 3
32 1 12 PRO HA 1 12 PRO HB3 1.800 . 2.800 2.306 2.297 2.312 . 0 0 "[ . 1 . 2]" 3
33 1 13 CYS HA 1 13 CYS HB3 1.800 . 2.800 2.674 2.389 2.929 0.129 2 0 "[ . 1 . 2]" 3
34 1 15 ASP HA 1 15 ASP HB3 1.800 . 2.800 2.960 2.892 2.994 0.194 11 0 "[ . 1 . 2]" 3
35 1 15 ASP HA 1 15 ASP HB2 1.800 . 2.800 2.670 2.594 2.802 0.002 19 0 "[ . 1 . 2]" 3
36 1 18 THR HA 1 18 THR HB 1.800 . 2.800 2.595 2.261 2.987 0.187 13 0 "[ . 1 . 2]" 3
37 1 19 CYS HA 1 19 CYS HB3 1.800 . 2.800 2.770 2.395 2.936 0.136 12 0 "[ . 1 . 2]" 3
38 1 19 CYS HA 1 19 CYS HB2 1.800 . 2.800 2.755 2.454 2.890 0.090 3 0 "[ . 1 . 2]" 3
39 1 20 LYS HA 1 20 LYS HB3 1.800 . 2.800 2.683 2.445 2.797 . 0 0 "[ . 1 . 2]" 3
40 1 23 PRO HA 1 23 PRO HB3 1.800 . 2.800 2.303 2.288 2.313 . 0 0 "[ . 1 . 2]" 3
41 1 26 GLN HA 1 26 GLN HB2 1.800 . 2.800 2.864 2.690 2.945 0.145 20 0 "[ . 1 . 2]" 3
42 1 27 CYS HA 1 27 CYS HB3 1.800 . 2.800 2.551 2.301 2.963 0.163 20 0 "[ . 1 . 2]" 3
43 1 27 CYS HA 1 27 CYS HB2 1.800 . 2.800 2.441 2.259 2.654 . 0 0 "[ . 1 . 2]" 3
44 1 31 LEU HA 1 31 LEU HB3 1.800 . 2.800 2.827 2.719 2.983 0.183 6 0 "[ . 1 . 2]" 3
45 1 31 LEU HA 1 31 LEU HB2 1.800 . 2.800 2.805 2.267 2.922 0.122 13 0 "[ . 1 . 2]" 3
46 1 34 GLU HA 1 34 GLU HB3 1.800 . 2.800 2.751 2.255 2.966 0.166 2 0 "[ . 1 . 2]" 3
47 1 34 GLU HA 1 34 GLU HB2 1.800 . 2.800 2.699 2.392 2.953 0.153 6 0 "[ . 1 . 2]" 3
48 1 39 SER HA 1 39 SER HB3 1.800 . 2.800 2.582 2.333 2.967 0.167 7 0 "[ . 1 . 2]" 3
49 1 39 SER HA 1 39 SER HB2 1.800 . 2.800 2.784 2.306 3.010 0.210 12 0 "[ . 1 . 2]" 3
50 1 40 ARG HA 1 40 ARG HB3 1.800 . 2.800 2.638 2.285 2.866 0.066 12 0 "[ . 1 . 2]" 3
51 1 40 ARG HA 1 40 ARG HB2 1.800 . 2.800 2.744 2.386 2.995 0.195 4 0 "[ . 1 . 2]" 3
52 1 44 ILE HA 1 44 ILE HB 1.800 . 2.800 2.586 2.365 2.942 0.142 14 0 "[ . 1 . 2]" 3
53 1 45 CYS HA 1 45 CYS HB3 1.800 . 2.800 2.484 2.336 2.938 0.138 5 0 "[ . 1 . 2]" 3
54 1 45 CYS HA 1 45 CYS HB2 1.800 . 2.800 2.564 2.441 2.764 . 0 0 "[ . 1 . 2]" 3
55 1 47 ILE HA 1 47 ILE HB 1.800 . 2.800 2.426 2.274 2.512 . 0 0 "[ . 1 . 2]" 3
56 1 49 ARG HA 1 49 ARG HB3 1.800 . 2.800 2.397 2.282 2.539 . 0 0 "[ . 1 . 2]" 3
57 1 49 ARG HA 1 49 ARG HB2 1.800 . 2.800 2.928 2.435 2.998 0.198 9 0 "[ . 1 . 2]" 3
58 1 51 ASP HA 1 51 ASP HB3 1.800 . 2.800 2.839 2.754 2.898 0.098 8 0 "[ . 1 . 2]" 3
59 1 51 ASP HA 1 51 ASP HB2 1.800 . 2.800 2.840 2.784 2.925 0.125 4 0 "[ . 1 . 2]" 3
60 1 54 ASP HA 1 54 ASP HB3 1.800 . 2.800 2.519 2.269 2.843 0.043 18 0 "[ . 1 . 2]" 3
61 1 54 ASP HA 1 54 ASP HB2 1.800 . 2.800 2.796 2.508 2.992 0.192 5 0 "[ . 1 . 2]" 3
62 1 55 ASP HA 1 55 ASP HB3 1.800 . 2.800 2.701 2.281 2.989 0.189 17 0 "[ . 1 . 2]" 3
63 1 55 ASP HA 1 55 ASP HB2 1.800 . 2.800 2.865 2.596 3.007 0.207 19 0 "[ . 1 . 2]" 3
64 1 56 ARG HA 1 56 ARG HB2 1.800 . 2.800 2.857 2.627 3.006 0.206 19 0 "[ . 1 . 2]" 3
65 1 61 SER HA 1 61 SER HB2 1.800 . 2.800 2.473 2.255 2.989 0.189 7 0 "[ . 1 . 2]" 3
66 1 63 ASP HA 1 63 ASP HB3 1.800 . 2.800 2.361 2.287 2.693 . 0 0 "[ . 1 . 2]" 3
67 1 63 ASP HA 1 63 ASP HB2 1.800 . 2.800 2.985 2.955 3.009 0.209 6 0 "[ . 1 . 2]" 3
68 1 67 TYR HA 1 67 TYR HB3 1.800 . 2.800 2.762 2.277 3.005 0.205 7 0 "[ . 1 . 2]" 3
69 1 67 TYR HA 1 67 TYR HB2 1.800 . 2.800 2.701 2.338 2.964 0.164 1 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 9
_Distance_constraint_stats_list.Viol_count 63
_Distance_constraint_stats_list.Viol_total 129.479
_Distance_constraint_stats_list.Viol_max 0.336
_Distance_constraint_stats_list.Viol_rms 0.0710
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0360
_Distance_constraint_stats_list.Viol_average_violations_only 0.1028
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 13 CYS 0.401 0.081 7 0 "[ . 1 . 2]"
1 15 ASP 1.455 0.247 19 0 "[ . 1 . 2]"
1 20 LYS 1.455 0.247 19 0 "[ . 1 . 2]"
1 22 ARG 0.401 0.081 7 0 "[ . 1 . 2]"
1 32 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLU 0.451 0.115 14 0 "[ . 1 . 2]"
1 37 LYS 0.451 0.115 14 0 "[ . 1 . 2]"
1 39 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 LYS 4.115 0.336 13 0 "[ . 1 . 2]"
1 45 CYS 0.052 0.031 6 0 "[ . 1 . 2]"
1 55 ASP 0.052 0.031 6 0 "[ . 1 . 2]"
1 57 CYS 4.115 0.336 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 13 CYS O 1 22 ARG H 2.000 . 2.500 2.449 2.105 2.581 0.081 7 0 "[ . 1 . 2]" 4
2 1 15 ASP H 1 20 LYS O 2.000 . 2.500 2.107 2.044 2.503 0.003 17 0 "[ . 1 . 2]" 4
3 1 15 ASP O 1 20 LYS H 2.000 . 2.500 2.568 2.439 2.747 0.247 19 0 "[ . 1 . 2]" 4
4 1 34 GLU H 1 37 LYS O 2.000 . 2.500 2.208 2.061 2.513 0.013 3 0 "[ . 1 . 2]" 4
5 1 34 GLU O 1 37 LYS H 2.000 . 2.500 2.490 2.248 2.615 0.115 14 0 "[ . 1 . 2]" 4
6 1 32 CYS O 1 39 SER H 2.000 . 2.500 2.204 2.047 2.494 . 0 0 "[ . 1 . 2]" 4
7 1 45 CYS H 1 55 ASP O 2.000 . 2.500 2.214 2.055 2.531 0.031 6 0 "[ . 1 . 2]" 4
8 1 43 LYS O 1 57 CYS H 2.000 . 2.500 2.036 1.986 2.104 . 0 0 "[ . 1 . 2]" 4
9 1 43 LYS H 1 57 CYS O 2.000 . 2.500 2.706 2.611 2.836 0.336 13 0 "[ . 1 . 2]" 4
stop_
save_
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