NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
583180 |
2mop   |
19947 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mop
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 1280
_Distance_constraint_stats_list.Viol_count 4711
_Distance_constraint_stats_list.Viol_total 29917.344
_Distance_constraint_stats_list.Viol_max 1.195
_Distance_constraint_stats_list.Viol_rms 0.1395
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0278
_Distance_constraint_stats_list.Viol_average_violations_only 0.2190
_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 SER 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 2 PRO 0.268 0.045 14 0 "[ . 1 . 2 . ]"
1 3 PRO 4.498 0.368 22 0 "[ . 1 . 2 . ]"
1 4 VAL 77.196 1.195 25 29 [******************-*****+****]
1 5 CYS 3.453 0.264 10 0 "[ . 1 . 2 . ]"
1 6 GLY 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 7 ASN 27.849 1.074 26 24 "[** **** *** ********** **+ -*]"
1 8 LYS 0.526 0.237 21 0 "[ . 1 . 2 . ]"
1 9 ILE 15.330 0.432 26 0 "[ . 1 . 2 . ]"
1 10 LEU 38.180 1.111 11 28 "[**********+* *****-**********]"
1 11 GLU 16.168 0.938 10 9 "[- . + ** * 2 * .** *]"
1 12 GLN 2.280 0.124 4 0 "[ . 1 . 2 . ]"
1 13 GLY 0.467 0.052 29 0 "[ . 1 . 2 . ]"
1 14 GLU 63.316 1.112 11 28 "[*****-****+********** *******]"
1 15 ASP 8.154 1.015 13 3 "[ . 1 + . - 2 * . ]"
1 16 CYS 3.857 0.141 24 0 "[ . 1 . 2 . ]"
1 17 ASP 1.405 0.124 4 0 "[ . 1 . 2 . ]"
1 18 CYS 18.452 0.798 16 12 "[ * * 1** .+ *2* * * *-*]"
1 19 GLY 3.979 0.261 27 0 "[ . 1 . 2 . ]"
1 20 SER 33.831 1.195 25 27 "[*************** **-* ***+****]"
1 21 PRO 43.685 1.074 26 28 "[******* *****************+*-*]"
1 22 ALA 0.014 0.014 20 0 "[ . 1 . 2 . ]"
1 23 ASN 0.834 0.065 25 0 "[ . 1 . 2 . ]"
1 24 CYS 7.358 0.941 19 7 "[ - ** * . +* * . ]"
1 25 GLN 0.388 0.100 6 0 "[ . 1 . 2 . ]"
1 26 ASP 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 27 ARG 0.707 0.055 4 0 "[ . 1 . 2 . ]"
1 28 CYS 0.022 0.022 8 0 "[ . 1 . 2 . ]"
1 29 CYS 1.563 0.066 20 0 "[ . 1 . 2 . ]"
1 30 ASN 6.476 0.156 6 0 "[ . 1 . 2 . ]"
1 31 ALA 7.105 0.188 21 0 "[ . 1 . 2 . ]"
1 32 ALA 32.510 1.150 9 29 [********+***-****************]
1 33 THR 9.261 0.217 19 0 "[ . 1 . 2 . ]"
1 34 CYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 35 LYS 37.189 1.040 12 16 "[****. *1 +**.* **2- *** *]"
1 36 LEU 31.350 0.962 17 24 "[***** **********+ ** ****-* ]"
1 37 THR 4.419 0.114 12 0 "[ . 1 . 2 . ]"
1 38 PRO 2.197 0.114 12 0 "[ . 1 . 2 . ]"
1 39 GLY 0.322 0.030 15 0 "[ . 1 . 2 . ]"
1 40 SER 0.475 0.058 1 0 "[ . 1 . 2 . ]"
1 41 GLN 41.524 1.014 16 23 "[******* ****-*.+* *** **.* **]"
1 42 CYS 0.946 0.058 11 0 "[ . 1 . 2 . ]"
1 43 ASN 25.130 1.018 10 25 "[*********+******** *-* *.*** ]"
1 44 TYR 81.186 1.112 11 29 [-*********+******************]
1 45 GLY 25.451 1.036 6 29 [*****+*-*********************]
1 46 GLU 4.782 0.349 23 0 "[ . 1 . 2 . ]"
1 47 CYS 34.478 1.036 6 29 [*****+*-*********************]
1 48 CYS 35.415 1.053 13 29 [************+************-***]
1 49 ASP 0.073 0.019 2 0 "[ . 1 . 2 . ]"
1 50 GLN 34.892 1.053 13 29 [************+***************-]
1 51 CYS 5.560 1.006 29 4 "[ * . 1 - . 2 .* +]"
1 52 ARG 20.090 1.005 20 17 "[* .** *1** .****+**-*.* * ]"
1 53 PHE 104.622 1.031 16 29 [************-**+*************]
1 54 LYS 16.791 1.000 16 9 "[ . *1 * .+** 2 - ** *]"
1 55 LYS 1.510 0.065 19 0 "[ . 1 . 2 . ]"
1 56 ALA 102.697 1.143 5 29 [***-+************************]
1 57 GLY 31.665 1.077 17 29 [****************+***-********]
1 58 THR 6.053 0.133 19 0 "[ . 1 . 2 . ]"
1 59 VAL 9.904 1.006 19 1 "[ . 1 . +2 . ]"
1 60 CYS 2.857 0.064 22 0 "[ . 1 . 2 . ]"
1 61 ARG 78.543 1.088 20 28 "[*****************-*+ ********]"
1 62 ILE 34.512 0.780 7 14 "[ **** + 1** *.* *-* .* * ]"
1 63 ALA 66.126 1.014 10 29 [*********+************-******]
1 64 ARG 19.079 0.780 7 11 "[ *. + *1 - ** *2 * * * *]"
1 65 GLY 32.041 1.081 28 29 [************************-**+*]
1 66 ASP 37.662 0.855 19 29 [******************+***-******]
1 67 TRP 98.602 1.145 21 29 [************-*******+********]
1 68 ASN 74.276 1.081 28 29 [**************-************+*]
1 69 ASP 51.736 1.185 17 29 [****************+*-**********]
1 70 ASP 117.003 1.145 21 29 [*****************-**+********]
1 71 TYR 45.541 1.143 5 29 [****+**********-*************]
1 72 CYS 14.275 0.390 21 0 "[ . 1 . 2 . ]"
1 73 THR 26.165 1.007 19 29 [************-*****+**********]
1 74 GLY 0.051 0.011 4 0 "[ . 1 . 2 . ]"
1 75 LYS 6.626 0.276 21 0 "[ . 1 . 2 . ]"
1 76 SER 49.330 1.024 21 29 [********************+********]
1 77 SER 7.471 0.276 21 0 "[ . 1 . 2 . ]"
1 78 ASP 1.860 0.075 8 0 "[ . 1 . 2 . ]"
1 79 CYS 32.391 1.077 17 29 [****************+***-********]
1 80 PRO 31.238 1.007 19 29 [************-*****+**********]
1 81 TRP 55.877 1.088 20 29 [*******************+*********]
1 82 ASN 56.491 1.185 17 29 [****************+************]
1 83 HIS 34.633 1.066 9 29 [********+*****-**************]
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 1 SER HA 1 2 PRO QD 4.000 . 4.000 2.474 1.964 3.526 . 0 0 "[ . 1 . 2 . ]" 1
2 1 1 SER QB 1 2 PRO QB 6.000 . 6.000 4.762 3.777 5.740 . 0 0 "[ . 1 . 2 . ]" 1
3 1 1 SER QB 1 2 PRO QG 6.000 . 6.000 4.322 3.136 5.387 . 0 0 "[ . 1 . 2 . ]" 1
4 1 1 SER QB 1 2 PRO QD 5.000 . 5.000 2.694 1.845 3.856 . 0 0 "[ . 1 . 2 . ]" 1
5 1 2 PRO HA 1 3 PRO QB 6.000 . 6.000 4.579 4.441 4.848 . 0 0 "[ . 1 . 2 . ]" 1
6 1 2 PRO HA 1 3 PRO QD 4.000 . 4.000 2.099 1.935 2.261 . 0 0 "[ . 1 . 2 . ]" 1
7 1 2 PRO QB 1 3 PRO QD 5.000 . 5.000 2.291 1.909 3.037 . 0 0 "[ . 1 . 2 . ]" 1
8 1 2 PRO QB 1 4 VAL QG 6.000 . 6.000 4.908 3.184 5.749 . 0 0 "[ . 1 . 2 . ]" 1
9 1 2 PRO QD 1 4 VAL QG 6.000 . 6.000 5.337 3.766 6.045 0.045 14 0 "[ . 1 . 2 . ]" 1
10 1 3 PRO HA 1 4 VAL H 4.000 . 4.000 2.113 1.925 2.167 . 0 0 "[ . 1 . 2 . ]" 1
11 1 3 PRO HA 1 4 VAL HB 5.000 . 5.000 4.777 4.300 5.368 0.368 22 0 "[ . 1 . 2 . ]" 1
12 1 3 PRO HA 1 4 VAL QG 5.000 . 5.000 3.390 3.081 3.820 . 0 0 "[ . 1 . 2 . ]" 1
13 1 3 PRO QB 1 4 VAL H 5.000 . 5.000 3.287 3.209 3.348 . 0 0 "[ . 1 . 2 . ]" 1
14 1 3 PRO QB 1 4 VAL QG 6.000 . 6.000 4.030 3.566 4.584 . 0 0 "[ . 1 . 2 . ]" 1
15 1 3 PRO QG 1 4 VAL H 5.000 . 5.000 4.630 4.566 4.873 . 0 0 "[ . 1 . 2 . ]" 1
16 1 3 PRO QD 1 4 VAL QG 6.000 . 6.000 5.142 4.060 5.598 . 0 0 "[ . 1 . 2 . ]" 1
17 1 3 PRO HA 1 5 CYS H 5.000 . 5.000 5.106 5.055 5.264 0.264 10 0 "[ . 1 . 2 . ]" 1
18 1 3 PRO QB 1 5 CYS H 5.000 . 5.000 4.368 4.092 4.799 . 0 0 "[ . 1 . 2 . ]" 1
19 1 4 VAL H 1 5 CYS H 5.000 . 5.000 3.933 3.422 4.182 . 0 0 "[ . 1 . 2 . ]" 1
20 1 4 VAL HA 1 5 CYS H 5.000 . 5.000 2.229 2.131 2.268 . 0 0 "[ . 1 . 2 . ]" 1
21 1 4 VAL HA 1 5 CYS QB 5.000 . 5.000 4.755 4.276 4.939 . 0 0 "[ . 1 . 2 . ]" 1
22 1 4 VAL HB 1 5 CYS H 5.000 . 5.000 4.363 3.902 4.617 . 0 0 "[ . 1 . 2 . ]" 1
23 1 4 VAL QG 1 5 CYS H 5.000 . 5.000 3.393 3.087 3.691 . 0 0 "[ . 1 . 2 . ]" 1
24 1 4 VAL QG 1 5 CYS QB 5.000 . 5.000 4.646 3.411 5.043 0.043 22 0 "[ . 1 . 2 . ]" 1
25 1 4 VAL QG 1 6 GLY H 5.000 . 5.000 4.046 3.340 4.541 . 0 0 "[ . 1 . 2 . ]" 1
26 1 4 VAL H 1 7 ASN HA 5.000 . 5.000 5.101 5.007 5.173 0.173 25 0 "[ . 1 . 2 . ]" 1
27 1 4 VAL QG 1 7 ASN H 5.000 . 5.000 2.859 2.051 4.544 . 0 0 "[ . 1 . 2 . ]" 1
28 1 4 VAL QG 1 7 ASN QB 6.000 . 6.000 3.792 3.129 6.105 0.105 19 0 "[ . 1 . 2 . ]" 1
29 1 4 VAL QG 1 7 ASN QD 6.000 . 6.000 3.910 2.332 6.006 0.006 21 0 "[ . 1 . 2 . ]" 1
30 1 4 VAL QG 1 8 LYS H 6.000 . 6.000 2.154 1.613 5.432 . 0 0 "[ . 1 . 2 . ]" 1
31 1 4 VAL QG 1 8 LYS HA 6.000 . 6.000 2.827 1.871 6.237 0.237 21 0 "[ . 1 . 2 . ]" 1
32 1 4 VAL QG 1 18 CYS QB 6.000 . 6.000 5.222 4.698 6.798 0.798 16 3 "[ . 1 .+ *2- . ]" 1
33 1 4 VAL H 1 19 GLY QA 5.000 . 5.000 5.128 5.001 5.261 0.261 27 0 "[ . 1 . 2 . ]" 1
34 1 4 VAL H 1 20 SER QB 6.000 . 6.000 7.061 6.187 7.195 1.195 25 27 "[*************** **-* ***+****]" 1
35 1 4 VAL QG 1 20 SER HA 6.000 . 6.000 2.714 1.925 5.526 . 0 0 "[ . 1 . 2 . ]" 1
36 1 4 VAL QG 1 20 SER QB 6.000 . 6.000 3.804 3.059 6.147 0.147 19 0 "[ . 1 . 2 . ]" 1
37 1 4 VAL QG 1 21 PRO QB 5.000 . 5.000 4.333 1.667 5.050 0.050 13 0 "[ . 1 . 2 . ]" 1
38 1 4 VAL QG 1 21 PRO QG 6.000 . 6.000 3.249 1.779 3.969 . 0 0 "[ . 1 . 2 . ]" 1
39 1 4 VAL QG 1 21 PRO QD 5.000 . 5.000 2.329 1.864 3.359 . 0 0 "[ . 1 . 2 . ]" 1
40 1 4 VAL QG 1 24 CYS H 6.000 . 6.000 6.213 5.792 6.941 0.941 19 7 "[ - ** * . +* * . ]" 1
41 1 4 VAL QG 1 31 ALA MB 6.000 . 6.000 4.332 3.540 5.264 . 0 0 "[ . 1 . 2 . ]" 1
42 1 4 VAL QG 1 32 ALA MB 6.000 . 6.000 6.937 6.618 7.150 1.150 9 29 [********+***-****************] 1
43 1 5 CYS H 1 6 GLY H 5.000 . 5.000 4.118 3.267 4.233 . 0 0 "[ . 1 . 2 . ]" 1
44 1 5 CYS HA 1 6 GLY H 5.000 . 5.000 2.177 2.130 2.224 . 0 0 "[ . 1 . 2 . ]" 1
45 1 5 CYS QB 1 6 GLY H 5.000 . 5.000 3.668 3.605 3.916 . 0 0 "[ . 1 . 2 . ]" 1
46 1 5 CYS QB 1 7 ASN H 6.000 . 6.000 4.865 4.208 5.075 . 0 0 "[ . 1 . 2 . ]" 1
47 1 5 CYS H 1 19 GLY H 6.000 . 6.000 4.706 4.171 6.063 0.063 19 0 "[ . 1 . 2 . ]" 1
48 1 5 CYS HA 1 19 GLY H 6.000 . 6.000 5.306 4.940 6.069 0.069 10 0 "[ . 1 . 2 . ]" 1
49 1 6 GLY H 1 7 ASN H 4.000 . 4.000 2.224 1.986 2.626 . 0 0 "[ . 1 . 2 . ]" 1
50 1 6 GLY QA 1 7 ASN H 5.000 . 5.000 2.883 2.806 2.919 . 0 0 "[ . 1 . 2 . ]" 1
51 1 7 ASN H 1 7 ASN QD 5.000 . 5.000 4.200 2.760 4.960 . 0 0 "[ . 1 . 2 . ]" 1
52 1 7 ASN H 1 8 LYS H 5.000 . 5.000 4.120 3.614 4.303 . 0 0 "[ . 1 . 2 . ]" 1
53 1 7 ASN HA 1 8 LYS H 4.000 . 4.000 2.214 2.142 2.294 . 0 0 "[ . 1 . 2 . ]" 1
54 1 7 ASN QB 1 8 LYS H 4.000 . 4.000 3.106 2.895 3.677 . 0 0 "[ . 1 . 2 . ]" 1
55 1 7 ASN QB 1 8 LYS HA 5.000 . 5.000 4.665 4.557 4.878 . 0 0 "[ . 1 . 2 . ]" 1
56 1 7 ASN QB 1 9 ILE MG 5.000 . 5.000 4.809 4.506 5.024 0.024 7 0 "[ . 1 . 2 . ]" 1
57 1 7 ASN HA 1 10 LEU QD 6.000 . 6.000 5.946 5.752 6.112 0.112 29 0 "[ . 1 . 2 . ]" 1
58 1 7 ASN QB 1 10 LEU QB 5.500 . 5.500 5.572 5.510 5.612 0.112 15 0 "[ . 1 . 2 . ]" 1
59 1 7 ASN QB 1 10 LEU QD 6.000 . 6.000 3.775 3.627 4.112 . 0 0 "[ . 1 . 2 . ]" 1
60 1 7 ASN QD 1 10 LEU QD 6.000 . 6.000 5.041 4.373 5.918 . 0 0 "[ . 1 . 2 . ]" 1
61 1 7 ASN HA 1 21 PRO QG 6.000 . 6.000 6.764 6.220 7.074 1.074 26 24 "[** **** *** ********** **+ -*]" 1
62 1 7 ASN HA 1 21 PRO QD 6.000 . 6.000 5.663 5.337 6.030 0.030 29 0 "[ . 1 . 2 . ]" 1
63 1 8 LYS H 1 8 LYS QG 5.000 . 5.000 3.785 2.923 4.078 . 0 0 "[ . 1 . 2 . ]" 1
64 1 8 LYS H 1 9 ILE H 5.000 . 5.000 4.337 4.229 4.489 . 0 0 "[ . 1 . 2 . ]" 1
65 1 8 LYS HA 1 9 ILE H 4.000 . 4.000 2.178 2.132 2.221 . 0 0 "[ . 1 . 2 . ]" 1
66 1 8 LYS QB 1 9 ILE H 5.000 . 5.000 3.884 3.489 4.000 . 0 0 "[ . 1 . 2 . ]" 1
67 1 8 LYS QG 1 9 ILE H 5.000 . 5.000 3.823 3.275 4.416 . 0 0 "[ . 1 . 2 . ]" 1
68 1 9 ILE H 1 9 ILE QG 5.000 . 5.000 2.278 1.784 2.967 . 0 0 "[ . 1 . 2 . ]" 1
69 1 9 ILE H 1 9 ILE MD 5.000 . 5.000 2.962 2.076 3.473 . 0 0 "[ . 1 . 2 . ]" 1
70 1 9 ILE H 1 10 LEU H 5.000 . 5.000 4.539 4.414 4.619 . 0 0 "[ . 1 . 2 . ]" 1
71 1 9 ILE HA 1 10 LEU H 3.000 . 3.000 2.119 2.053 2.261 . 0 0 "[ . 1 . 2 . ]" 1
72 1 9 ILE HA 1 10 LEU HA 5.000 . 5.000 4.322 4.303 4.352 . 0 0 "[ . 1 . 2 . ]" 1
73 1 9 ILE HA 1 10 LEU QB 5.000 . 5.000 4.389 4.247 4.601 . 0 0 "[ . 1 . 2 . ]" 1
74 1 9 ILE HA 1 10 LEU QD 5.000 . 5.000 2.792 2.584 3.430 . 0 0 "[ . 1 . 2 . ]" 1
75 1 9 ILE HB 1 10 LEU H 5.000 . 5.000 3.090 2.572 3.343 . 0 0 "[ . 1 . 2 . ]" 1
76 1 9 ILE HB 1 10 LEU QD 5.000 . 5.000 3.553 3.355 3.963 . 0 0 "[ . 1 . 2 . ]" 1
77 1 9 ILE QG 1 10 LEU H 5.000 . 5.000 4.373 3.721 4.706 . 0 0 "[ . 1 . 2 . ]" 1
78 1 9 ILE QG 1 10 LEU HA 6.000 . 6.000 4.853 4.062 5.427 . 0 0 "[ . 1 . 2 . ]" 1
79 1 9 ILE MG 1 10 LEU H 5.000 . 5.000 3.696 3.284 3.954 . 0 0 "[ . 1 . 2 . ]" 1
80 1 9 ILE MG 1 10 LEU HA 6.000 . 6.000 5.499 5.310 5.562 . 0 0 "[ . 1 . 2 . ]" 1
81 1 9 ILE HA 1 11 GLU QG 5.000 . 5.000 4.967 4.462 5.060 0.060 25 0 "[ . 1 . 2 . ]" 1
82 1 9 ILE QG 1 11 GLU QG 6.000 . 6.000 5.567 4.609 6.046 0.046 20 0 "[ . 1 . 2 . ]" 1
83 1 9 ILE MG 1 11 GLU H 5.000 . 5.000 3.984 3.730 4.104 . 0 0 "[ . 1 . 2 . ]" 1
84 1 9 ILE MG 1 11 GLU HA 6.000 . 6.000 5.949 5.800 6.043 0.043 16 0 "[ . 1 . 2 . ]" 1
85 1 9 ILE MG 1 11 GLU QB 6.000 . 6.000 6.010 5.660 6.107 0.107 11 0 "[ . 1 . 2 . ]" 1
86 1 9 ILE MG 1 11 GLU QG 5.000 . 5.000 4.773 4.171 4.984 . 0 0 "[ . 1 . 2 . ]" 1
87 1 9 ILE MD 1 11 GLU QG 6.000 . 6.000 5.242 4.534 6.083 0.083 24 0 "[ . 1 . 2 . ]" 1
88 1 9 ILE H 1 12 GLN H 6.000 . 6.000 5.562 5.292 5.979 . 0 0 "[ . 1 . 2 . ]" 1
89 1 9 ILE HA 1 12 GLN QB 6.000 . 6.000 4.670 3.872 5.931 . 0 0 "[ . 1 . 2 . ]" 1
90 1 9 ILE HA 1 12 GLN QG 5.000 . 5.000 3.466 2.983 4.989 . 0 0 "[ . 1 . 2 . ]" 1
91 1 9 ILE HB 1 12 GLN HA 5.000 . 5.000 4.172 3.956 4.681 . 0 0 "[ . 1 . 2 . ]" 1
92 1 9 ILE QG 1 12 GLN QG 6.000 . 6.000 3.487 2.765 4.583 . 0 0 "[ . 1 . 2 . ]" 1
93 1 9 ILE MG 1 12 GLN H 6.000 . 6.000 3.738 3.340 4.125 . 0 0 "[ . 1 . 2 . ]" 1
94 1 9 ILE MG 1 12 GLN QB 5.000 . 5.000 2.343 1.746 3.633 . 0 0 "[ . 1 . 2 . ]" 1
95 1 9 ILE MG 1 12 GLN QG 5.000 . 5.000 2.001 1.727 3.154 . 0 0 "[ . 1 . 2 . ]" 1
96 1 9 ILE MG 1 12 GLN QE 6.000 . 6.000 3.382 2.103 4.532 . 0 0 "[ . 1 . 2 . ]" 1
97 1 9 ILE MD 1 12 GLN H 6.000 . 6.000 2.645 1.754 4.325 . 0 0 "[ . 1 . 2 . ]" 1
98 1 9 ILE HB 1 13 GLY QA 5.000 . 5.000 4.414 3.907 4.824 . 0 0 "[ . 1 . 2 . ]" 1
99 1 9 ILE MG 1 13 GLY H 6.000 . 6.000 3.508 2.119 5.232 . 0 0 "[ . 1 . 2 . ]" 1
100 1 9 ILE QG 1 15 ASP H 5.000 . 5.000 4.961 4.288 5.150 0.150 22 0 "[ . 1 . 2 . ]" 1
101 1 9 ILE QG 1 15 ASP QB 5.000 . 5.000 5.087 5.009 5.163 0.163 29 0 "[ . 1 . 2 . ]" 1
102 1 9 ILE MG 1 15 ASP QB 5.000 . 5.000 4.189 3.778 4.982 . 0 0 "[ . 1 . 2 . ]" 1
103 1 9 ILE MD 1 15 ASP H 6.000 . 6.000 4.868 3.896 5.497 . 0 0 "[ . 1 . 2 . ]" 1
104 1 9 ILE MD 1 15 ASP QB 5.000 . 5.000 5.030 4.652 5.111 0.111 11 0 "[ . 1 . 2 . ]" 1
105 1 9 ILE H 1 21 PRO QD 6.000 . 6.000 6.181 6.043 6.253 0.253 23 0 "[ . 1 . 2 . ]" 1
106 1 9 ILE MG 1 44 TYR QE 6.000 . 6.000 6.005 5.551 6.432 0.432 26 0 "[ . 1 . 2 . ]" 1
107 1 10 LEU H 1 10 LEU QD 5.000 . 5.000 1.700 1.655 1.932 . 0 0 "[ . 1 . 2 . ]" 1
108 1 10 LEU H 1 11 GLU H 5.000 . 5.000 2.507 2.205 2.727 . 0 0 "[ . 1 . 2 . ]" 1
109 1 10 LEU HA 1 11 GLU H 3.000 . 3.000 3.103 3.020 3.131 0.131 4 0 "[ . 1 . 2 . ]" 1
110 1 10 LEU HA 1 11 GLU QG 6.000 . 6.000 4.753 4.148 4.947 . 0 0 "[ . 1 . 2 . ]" 1
111 1 10 LEU QB 1 11 GLU H 5.000 . 5.000 3.926 3.895 4.013 . 0 0 "[ . 1 . 2 . ]" 1
112 1 10 LEU QB 1 11 GLU QG 5.000 . 5.000 4.098 2.891 4.501 . 0 0 "[ . 1 . 2 . ]" 1
113 1 10 LEU HG 1 11 GLU H 5.000 . 5.000 4.949 3.586 5.076 0.076 19 0 "[ . 1 . 2 . ]" 1
114 1 10 LEU HG 1 11 GLU QG 6.000 . 6.000 4.013 2.251 4.623 . 0 0 "[ . 1 . 2 . ]" 1
115 1 10 LEU QD 1 11 GLU H 5.000 . 5.000 2.458 2.329 3.829 . 0 0 "[ . 1 . 2 . ]" 1
116 1 10 LEU QD 1 11 GLU QB 5.000 . 5.000 2.582 2.251 4.195 . 0 0 "[ . 1 . 2 . ]" 1
117 1 10 LEU QD 1 11 GLU QG 5.000 . 5.000 1.827 1.655 3.077 . 0 0 "[ . 1 . 2 . ]" 1
118 1 10 LEU H 1 12 GLN H 5.000 . 5.000 4.182 3.168 4.890 . 0 0 "[ . 1 . 2 . ]" 1
119 1 10 LEU QD 1 12 GLN H 6.000 . 6.000 3.952 3.055 4.499 . 0 0 "[ . 1 . 2 . ]" 1
120 1 10 LEU QD 1 15 ASP QB 6.000 . 6.000 5.618 5.203 6.061 0.061 21 0 "[ . 1 . 2 . ]" 1
121 1 10 LEU QD 1 44 TYR QD 6.000 . 6.000 6.976 6.470 7.111 1.111 11 28 "[**********+* *****-**********]" 1
122 1 10 LEU QD 1 44 TYR QE 6.000 . 6.000 6.082 5.743 6.477 0.477 19 0 "[ . 1 . 2 . ]" 1
123 1 11 GLU H 1 11 GLU QG 5.000 . 5.000 2.768 2.640 2.872 . 0 0 "[ . 1 . 2 . ]" 1
124 1 11 GLU H 1 12 GLN H 4.000 . 4.000 2.009 1.781 2.488 . 0 0 "[ . 1 . 2 . ]" 1
125 1 11 GLU HA 1 12 GLN H 3.500 . 3.500 2.904 2.567 3.482 . 0 0 "[ . 1 . 2 . ]" 1
126 1 11 GLU HA 1 12 GLN QG 5.000 . 5.000 4.526 4.039 5.039 0.039 16 0 "[ . 1 . 2 . ]" 1
127 1 11 GLU QB 1 12 GLN H 5.000 . 5.000 4.033 3.587 4.093 . 0 0 "[ . 1 . 2 . ]" 1
128 1 11 GLU QG 1 12 GLN H 5.000 . 5.000 3.691 2.312 4.186 . 0 0 "[ . 1 . 2 . ]" 1
129 1 11 GLU HA 1 13 GLY H 6.000 . 6.000 5.242 4.152 5.934 . 0 0 "[ . 1 . 2 . ]" 1
130 1 11 GLU QG 1 44 TYR QD 6.000 . 6.000 6.247 5.062 6.938 0.938 10 9 "[- . + ** * 2 * .** *]" 1
131 1 11 GLU QG 1 44 TYR QE 6.000 . 6.000 4.921 3.810 5.464 . 0 0 "[ . 1 . 2 . ]" 1
132 1 12 GLN H 1 12 GLN QG 5.000 . 5.000 2.625 1.710 3.752 . 0 0 "[ . 1 . 2 . ]" 1
133 1 12 GLN H 1 13 GLY H 4.000 . 4.000 2.955 2.321 3.560 . 0 0 "[ . 1 . 2 . ]" 1
134 1 12 GLN HA 1 13 GLY H 3.500 . 3.500 3.090 2.220 3.552 0.052 29 0 "[ . 1 . 2 . ]" 1
135 1 12 GLN QB 1 13 GLY H 4.000 . 4.000 2.648 1.623 4.017 0.017 22 0 "[ . 1 . 2 . ]" 1
136 1 12 GLN QG 1 13 GLY H 5.000 . 5.000 3.925 3.475 4.457 . 0 0 "[ . 1 . 2 . ]" 1
137 1 12 GLN H 1 14 GLU H 5.000 . 5.000 4.904 4.487 5.063 0.063 11 0 "[ . 1 . 2 . ]" 1
138 1 12 GLN H 1 15 ASP QB 5.000 . 5.000 4.501 4.089 5.039 0.039 18 0 "[ . 1 . 2 . ]" 1
139 1 12 GLN QG 1 17 ASP H 5.000 . 5.000 5.045 4.942 5.124 0.124 4 0 "[ . 1 . 2 . ]" 1
140 1 12 GLN QG 1 44 TYR QD 6.000 . 6.000 5.475 4.368 6.055 0.055 26 0 "[ . 1 . 2 . ]" 1
141 1 12 GLN QG 1 44 TYR QE 6.000 . 6.000 4.636 3.339 5.262 . 0 0 "[ . 1 . 2 . ]" 1
142 1 13 GLY H 1 14 GLU H 4.000 . 4.000 2.674 2.251 3.429 . 0 0 "[ . 1 . 2 . ]" 1
143 1 13 GLY H 1 14 GLU HA 6.000 . 6.000 5.125 4.682 5.722 . 0 0 "[ . 1 . 2 . ]" 1
144 1 13 GLY QA 1 14 GLU H 4.000 . 4.000 2.797 2.607 2.869 . 0 0 "[ . 1 . 2 . ]" 1
145 1 13 GLY H 1 14 GLU QG 6.000 . 6.000 5.558 4.263 6.018 0.018 18 0 "[ . 1 . 2 . ]" 1
146 1 13 GLY QA 1 14 GLU QG 6.000 . 6.000 4.241 2.976 5.366 . 0 0 "[ . 1 . 2 . ]" 1
147 1 13 GLY H 1 44 TYR QD 6.000 . 6.000 3.933 1.940 5.235 . 0 0 "[ . 1 . 2 . ]" 1
148 1 13 GLY H 1 44 TYR QE 6.000 . 6.000 4.582 2.018 5.917 . 0 0 "[ . 1 . 2 . ]" 1
149 1 13 GLY QA 1 44 TYR QE 6.000 . 6.000 5.257 3.596 6.033 0.033 4 0 "[ . 1 . 2 . ]" 1
150 1 14 GLU H 1 14 GLU QG 5.000 . 5.000 3.757 2.317 4.244 . 0 0 "[ . 1 . 2 . ]" 1
151 1 14 GLU H 1 15 ASP H 4.000 . 4.000 1.830 1.579 2.285 . 0 0 "[ . 1 . 2 . ]" 1
152 1 14 GLU HA 1 15 ASP H 4.000 . 4.000 3.300 2.464 3.476 . 0 0 "[ . 1 . 2 . ]" 1
153 1 14 GLU QB 1 15 ASP H 5.000 . 5.000 3.298 2.846 3.963 . 0 0 "[ . 1 . 2 . ]" 1
154 1 14 GLU QG 1 15 ASP H 5.000 . 5.000 4.113 1.954 4.612 . 0 0 "[ . 1 . 2 . ]" 1
155 1 14 GLU H 1 16 CYS QB 6.000 . 6.000 5.866 5.323 6.141 0.141 24 0 "[ . 1 . 2 . ]" 1
156 1 14 GLU HA 1 35 LYS QB 6.000 . 6.000 6.096 6.025 6.165 0.165 13 0 "[ . 1 . 2 . ]" 1
157 1 14 GLU HA 1 35 LYS QG 6.000 . 6.000 6.377 5.841 6.991 0.991 18 9 "[****. 1 * *. + 2- . *]" 1
158 1 14 GLU QG 1 35 LYS QG 6.000 . 6.000 6.560 5.259 7.040 1.040 12 16 "[****. *1 +**.* **2* *** -]" 1
159 1 14 GLU H 1 36 LEU QD 6.000 . 6.000 5.337 4.559 5.757 . 0 0 "[ . 1 . 2 . ]" 1
160 1 14 GLU HA 1 36 LEU QD 6.000 . 6.000 4.320 3.205 4.782 . 0 0 "[ . 1 . 2 . ]" 1
161 1 14 GLU QB 1 36 LEU QD 6.000 . 6.000 2.939 1.816 3.585 . 0 0 "[ . 1 . 2 . ]" 1
162 1 14 GLU QG 1 36 LEU QD 6.000 . 6.000 3.341 1.831 4.194 . 0 0 "[ . 1 . 2 . ]" 1
163 1 14 GLU H 1 44 TYR QE 6.000 . 6.000 4.878 3.117 5.470 . 0 0 "[ . 1 . 2 . ]" 1
164 1 14 GLU HA 1 44 TYR QD 6.000 . 6.000 5.904 5.072 6.743 0.743 18 3 "[ .- 1 . + 2 . *]" 1
165 1 14 GLU HA 1 44 TYR QE 6.000 . 6.000 6.951 6.000 7.112 1.112 11 27 "[**********+******* ** ****-**]" 1
166 1 15 ASP HA 1 16 CYS H 5.000 . 5.000 3.524 2.983 3.581 . 0 0 "[ . 1 . 2 . ]" 1
167 1 15 ASP QB 1 16 CYS H 5.000 . 5.000 2.445 1.967 3.750 . 0 0 "[ . 1 . 2 . ]" 1
168 1 15 ASP HA 1 35 LYS HA 5.000 . 5.000 4.228 3.576 4.904 . 0 0 "[ . 1 . 2 . ]" 1
169 1 15 ASP HA 1 35 LYS QG 5.000 . 5.000 4.744 3.460 5.036 0.036 17 0 "[ . 1 . 2 . ]" 1
170 1 15 ASP HA 1 35 LYS QD 5.000 . 5.000 4.679 3.653 5.023 0.023 23 0 "[ . 1 . 2 . ]" 1
171 1 15 ASP H 1 36 LEU QB 5.000 . 5.000 4.659 4.075 5.066 0.066 22 0 "[ . 1 . 2 . ]" 1
172 1 15 ASP H 1 36 LEU QD 6.000 . 6.000 4.623 3.869 4.914 . 0 0 "[ . 1 . 2 . ]" 1
173 1 15 ASP QB 1 36 LEU QD 5.000 . 5.000 4.736 3.797 5.019 0.019 26 0 "[ . 1 . 2 . ]" 1
174 1 15 ASP HA 1 44 TYR QE 6.000 . 6.000 4.785 3.667 7.015 1.015 13 2 "[ . 1 + . 2 - . ]" 1
175 1 15 ASP H 1 44 TYR QD 6.000 . 6.000 3.655 2.814 6.582 0.582 18 1 "[ . 1 . + 2 . ]" 1
176 1 15 ASP QB 1 44 TYR H 6.000 . 6.000 5.698 4.885 6.061 0.061 22 0 "[ . 1 . 2 . ]" 1
177 1 15 ASP QB 1 44 TYR QD 6.000 . 6.000 3.325 2.231 4.735 . 0 0 "[ . 1 . 2 . ]" 1
178 1 15 ASP QB 1 44 TYR QE 6.000 . 6.000 2.527 1.823 4.514 . 0 0 "[ . 1 . 2 . ]" 1
179 1 16 CYS H 1 17 ASP H 5.000 . 5.000 3.956 3.018 4.290 . 0 0 "[ . 1 . 2 . ]" 1
180 1 16 CYS HA 1 17 ASP H 3.500 . 3.500 2.204 2.089 2.383 . 0 0 "[ . 1 . 2 . ]" 1
181 1 16 CYS QB 1 17 ASP H 5.000 . 5.000 3.564 3.249 4.017 . 0 0 "[ . 1 . 2 . ]" 1
182 1 16 CYS QB 1 34 CYS HA 5.000 . 5.000 3.513 3.060 4.563 . 0 0 "[ . 1 . 2 . ]" 1
183 1 16 CYS QB 1 34 CYS QB 6.000 . 6.000 3.811 2.454 4.247 . 0 0 "[ . 1 . 2 . ]" 1
184 1 16 CYS QB 1 35 LYS H 6.000 . 6.000 4.207 3.657 5.223 . 0 0 "[ . 1 . 2 . ]" 1
185 1 16 CYS HA 1 36 LEU QD 6.000 . 6.000 5.284 4.546 5.658 . 0 0 "[ . 1 . 2 . ]" 1
186 1 16 CYS QB 1 36 LEU H 5.000 . 5.000 5.085 5.004 5.137 0.137 23 0 "[ . 1 . 2 . ]" 1
187 1 16 CYS QB 1 36 LEU QD 5.000 . 5.000 5.017 4.803 5.100 0.100 19 0 "[ . 1 . 2 . ]" 1
188 1 17 ASP H 1 18 CYS H 5.000 . 5.000 2.758 2.225 4.472 . 0 0 "[ . 1 . 2 . ]" 1
189 1 17 ASP HA 1 18 CYS H 5.000 . 5.000 2.754 2.157 3.551 . 0 0 "[ . 1 . 2 . ]" 1
190 1 17 ASP QB 1 18 CYS H 5.000 . 5.000 3.719 2.187 4.060 . 0 0 "[ . 1 . 2 . ]" 1
191 1 18 CYS H 1 19 GLY H 5.000 . 5.000 3.011 1.713 3.801 . 0 0 "[ . 1 . 2 . ]" 1
192 1 18 CYS HA 1 19 GLY H 5.000 . 5.000 3.531 3.487 3.573 . 0 0 "[ . 1 . 2 . ]" 1
193 1 18 CYS QB 1 19 GLY H 5.000 . 5.000 2.696 2.022 2.910 . 0 0 "[ . 1 . 2 . ]" 1
194 1 18 CYS QB 1 21 PRO HA 5.000 . 5.000 5.092 5.007 5.152 0.152 27 0 "[ . 1 . 2 . ]" 1
195 1 18 CYS QB 1 21 PRO QB 6.000 . 6.000 6.450 6.260 6.530 0.530 12 9 "[ * * 1*+ . 2 * * *-*]" 1
196 1 18 CYS QB 1 23 ASN H 5.000 . 5.000 4.496 4.110 5.019 0.019 19 0 "[ . 1 . 2 . ]" 1
197 1 18 CYS QB 1 25 GLN H 5.000 . 5.000 4.782 3.843 5.100 0.100 6 0 "[ . 1 . 2 . ]" 1
198 1 18 CYS QB 1 25 GLN QG 6.000 . 6.000 5.892 5.150 6.024 0.024 27 0 "[ . 1 . 2 . ]" 1
199 1 18 CYS QB 1 29 CYS QB 6.000 . 6.000 3.156 2.040 4.083 . 0 0 "[ . 1 . 2 . ]" 1
200 1 18 CYS QB 1 31 ALA H 6.000 . 6.000 2.916 1.925 3.350 . 0 0 "[ . 1 . 2 . ]" 1
201 1 18 CYS QB 1 31 ALA HA 6.000 . 6.000 2.371 1.816 3.040 . 0 0 "[ . 1 . 2 . ]" 1
202 1 18 CYS QB 1 31 ALA MB 5.000 . 5.000 1.758 1.656 1.882 . 0 0 "[ . 1 . 2 . ]" 1
203 1 18 CYS QB 1 32 ALA H 5.000 . 5.000 4.528 4.102 5.006 0.006 9 0 "[ . 1 . 2 . ]" 1
204 1 19 GLY H 1 20 SER H 5.000 . 5.000 3.643 2.800 3.977 . 0 0 "[ . 1 . 2 . ]" 1
205 1 19 GLY QA 1 20 SER H 5.000 . 5.000 2.513 2.317 2.899 . 0 0 "[ . 1 . 2 . ]" 1
206 1 19 GLY QA 1 20 SER HA 5.000 . 5.000 3.957 3.929 3.992 . 0 0 "[ . 1 . 2 . ]" 1
207 1 20 SER HA 1 21 PRO QB 5.000 . 5.000 4.562 4.463 4.690 . 0 0 "[ . 1 . 2 . ]" 1
208 1 20 SER HA 1 21 PRO QG 5.000 . 5.000 3.741 3.533 3.832 . 0 0 "[ . 1 . 2 . ]" 1
209 1 20 SER HA 1 21 PRO QD 4.000 . 4.000 1.837 1.678 1.924 . 0 0 "[ . 1 . 2 . ]" 1
210 1 20 SER QB 1 21 PRO QD 5.000 . 5.000 3.267 3.156 3.466 . 0 0 "[ . 1 . 2 . ]" 1
211 1 20 SER H 1 23 ASN QB 5.000 . 5.000 5.005 4.608 5.065 0.065 25 0 "[ . 1 . 2 . ]" 1
212 1 20 SER HA 1 23 ASN H 5.000 . 5.000 4.738 4.454 4.879 . 0 0 "[ . 1 . 2 . ]" 1
213 1 20 SER QB 1 23 ASN H 5.000 . 5.000 3.863 2.844 4.240 . 0 0 "[ . 1 . 2 . ]" 1
214 1 20 SER HA 1 31 ALA MB 5.000 . 5.000 5.065 4.827 5.188 0.188 21 0 "[ . 1 . 2 . ]" 1
215 1 21 PRO HA 1 22 ALA H 5.000 . 5.000 3.500 3.457 3.552 . 0 0 "[ . 1 . 2 . ]" 1
216 1 21 PRO QB 1 22 ALA H 5.000 . 5.000 2.994 2.819 3.288 . 0 0 "[ . 1 . 2 . ]" 1
217 1 21 PRO QG 1 22 ALA H 5.000 . 5.000 3.569 2.367 4.066 . 0 0 "[ . 1 . 2 . ]" 1
218 1 21 PRO QD 1 22 ALA H 5.000 . 5.000 2.983 2.731 3.434 . 0 0 "[ . 1 . 2 . ]" 1
219 1 21 PRO QB 1 22 ALA HA 4.000 . 4.000 3.891 3.802 3.990 . 0 0 "[ . 1 . 2 . ]" 1
220 1 21 PRO QB 1 22 ALA MB 5.000 . 5.000 4.223 4.058 4.404 . 0 0 "[ . 1 . 2 . ]" 1
221 1 21 PRO QD 1 22 ALA MB 5.000 . 5.000 4.204 3.973 4.643 . 0 0 "[ . 1 . 2 . ]" 1
222 1 21 PRO QB 1 23 ASN H 6.000 . 6.000 4.480 4.399 4.595 . 0 0 "[ . 1 . 2 . ]" 1
223 1 21 PRO QD 1 23 ASN H 5.000 . 5.000 4.656 4.514 4.763 . 0 0 "[ . 1 . 2 . ]" 1
224 1 21 PRO QD 1 23 ASN QB 6.000 . 6.000 5.941 5.796 6.033 0.033 9 0 "[ . 1 . 2 . ]" 1
225 1 21 PRO HA 1 31 ALA MB 5.000 . 5.000 3.677 3.377 3.973 . 0 0 "[ . 1 . 2 . ]" 1
226 1 21 PRO QB 1 31 ALA MB 5.000 . 5.000 4.955 4.726 5.097 0.097 29 0 "[ . 1 . 2 . ]" 1
227 1 21 PRO QD 1 31 ALA MB 5.000 . 5.000 4.563 4.107 4.848 . 0 0 "[ . 1 . 2 . ]" 1
228 1 22 ALA H 1 23 ASN H 5.000 . 5.000 2.683 2.551 2.752 . 0 0 "[ . 1 . 2 . ]" 1
229 1 22 ALA HA 1 23 ASN H 4.000 . 4.000 3.445 3.408 3.464 . 0 0 "[ . 1 . 2 . ]" 1
230 1 22 ALA MB 1 23 ASN H 4.000 . 4.000 2.936 2.811 3.079 . 0 0 "[ . 1 . 2 . ]" 1
231 1 22 ALA HA 1 23 ASN HA 6.000 . 6.000 4.545 4.494 4.566 . 0 0 "[ . 1 . 2 . ]" 1
232 1 22 ALA MB 1 23 ASN QB 5.000 . 5.000 4.049 3.453 4.288 . 0 0 "[ . 1 . 2 . ]" 1
233 1 22 ALA MB 1 23 ASN QD 5.000 . 5.000 3.586 2.176 5.014 0.014 20 0 "[ . 1 . 2 . ]" 1
234 1 23 ASN H 1 23 ASN QD 5.000 . 5.000 3.750 1.984 4.809 . 0 0 "[ . 1 . 2 . ]" 1
235 1 23 ASN H 1 24 CYS H 5.000 . 5.000 2.104 1.908 2.875 . 0 0 "[ . 1 . 2 . ]" 1
236 1 23 ASN HA 1 24 CYS H 5.000 . 5.000 3.298 2.639 3.552 . 0 0 "[ . 1 . 2 . ]" 1
237 1 23 ASN QB 1 24 CYS H 5.000 . 5.000 3.237 2.086 3.917 . 0 0 "[ . 1 . 2 . ]" 1
238 1 23 ASN QD 1 27 ARG QG 6.000 . 6.000 3.559 1.901 5.458 . 0 0 "[ . 1 . 2 . ]" 1
239 1 24 CYS H 1 25 GLN H 5.000 . 5.000 3.982 2.640 4.565 . 0 0 "[ . 1 . 2 . ]" 1
240 1 24 CYS HA 1 25 GLN H 4.000 . 4.000 2.421 2.142 3.545 . 0 0 "[ . 1 . 2 . ]" 1
241 1 24 CYS QB 1 25 GLN H 5.000 . 5.000 3.792 2.084 4.042 . 0 0 "[ . 1 . 2 . ]" 1
242 1 25 GLN H 1 25 GLN QG 5.000 . 5.000 2.873 2.419 4.010 . 0 0 "[ . 1 . 2 . ]" 1
243 1 25 GLN H 1 26 ASP H 5.000 . 5.000 2.805 1.889 4.070 . 0 0 "[ . 1 . 2 . ]" 1
244 1 25 GLN HA 1 26 ASP H 5.000 . 5.000 2.670 2.193 3.565 . 0 0 "[ . 1 . 2 . ]" 1
245 1 25 GLN QB 1 26 ASP H 5.000 . 5.000 3.775 2.442 4.018 . 0 0 "[ . 1 . 2 . ]" 1
246 1 25 GLN QG 1 26 ASP H 5.000 . 5.000 4.423 3.676 4.700 . 0 0 "[ . 1 . 2 . ]" 1
247 1 26 ASP H 1 27 ARG H 5.000 . 5.000 2.868 1.975 4.423 . 0 0 "[ . 1 . 2 . ]" 1
248 1 26 ASP HA 1 27 ARG H 5.000 . 5.000 3.357 2.709 3.576 . 0 0 "[ . 1 . 2 . ]" 1
249 1 26 ASP QB 1 27 ARG H 5.000 . 5.000 2.340 1.959 3.811 . 0 0 "[ . 1 . 2 . ]" 1
250 1 27 ARG H 1 27 ARG QG 5.000 . 5.000 3.944 2.638 4.320 . 0 0 "[ . 1 . 2 . ]" 1
251 1 27 ARG H 1 27 ARG QD 5.000 . 5.000 4.339 2.936 5.001 0.001 24 0 "[ . 1 . 2 . ]" 1
252 1 27 ARG H 1 28 CYS H 5.000 . 5.000 3.613 2.136 4.646 . 0 0 "[ . 1 . 2 . ]" 1
253 1 27 ARG HA 1 28 CYS H 5.000 . 5.000 3.256 2.348 3.542 . 0 0 "[ . 1 . 2 . ]" 1
254 1 27 ARG QB 1 28 CYS H 5.000 . 5.000 2.203 1.873 3.980 . 0 0 "[ . 1 . 2 . ]" 1
255 1 27 ARG QG 1 28 CYS H 5.000 . 5.000 2.619 1.936 4.398 . 0 0 "[ . 1 . 2 . ]" 1
256 1 27 ARG HA 1 29 CYS H 5.000 . 5.000 4.776 4.209 5.055 0.055 4 0 "[ . 1 . 2 . ]" 1
257 1 27 ARG QG 1 50 GLN HA 6.000 . 6.000 5.896 4.632 6.035 0.035 10 0 "[ . 1 . 2 . ]" 1
258 1 28 CYS H 1 29 CYS H 5.000 . 5.000 2.280 1.813 3.722 . 0 0 "[ . 1 . 2 . ]" 1
259 1 28 CYS HA 1 29 CYS H 4.000 . 4.000 3.040 2.790 3.582 . 0 0 "[ . 1 . 2 . ]" 1
260 1 28 CYS QB 1 29 CYS H 5.000 . 5.000 3.733 2.387 4.067 . 0 0 "[ . 1 . 2 . ]" 1
261 1 28 CYS QB 1 36 LEU QD 6.000 . 6.000 5.163 4.168 6.022 0.022 8 0 "[ . 1 . 2 . ]" 1
262 1 28 CYS H 1 37 THR MG 6.000 . 6.000 4.246 3.031 5.422 . 0 0 "[ . 1 . 2 . ]" 1
263 1 28 CYS HA 1 37 THR MG 5.000 . 5.000 3.099 1.975 4.108 . 0 0 "[ . 1 . 2 . ]" 1
264 1 28 CYS QB 1 51 CYS HA 5.000 . 5.000 4.230 3.226 4.953 . 0 0 "[ . 1 . 2 . ]" 1
265 1 28 CYS QB 1 51 CYS QB 5.000 . 5.000 3.029 1.815 4.235 . 0 0 "[ . 1 . 2 . ]" 1
266 1 29 CYS HA 1 30 ASN H 4.000 . 4.000 2.276 2.158 2.412 . 0 0 "[ . 1 . 2 . ]" 1
267 1 29 CYS HA 1 30 ASN QB 5.000 . 5.000 4.130 3.798 4.293 . 0 0 "[ . 1 . 2 . ]" 1
268 1 29 CYS HA 1 30 ASN QD 5.000 . 5.000 5.033 5.000 5.066 0.066 20 0 "[ . 1 . 2 . ]" 1
269 1 29 CYS QB 1 30 ASN H 5.000 . 5.000 2.917 2.283 3.695 . 0 0 "[ . 1 . 2 . ]" 1
270 1 29 CYS QB 1 31 ALA H 6.000 . 6.000 4.611 4.110 5.511 . 0 0 "[ . 1 . 2 . ]" 1
271 1 29 CYS QB 1 31 ALA MB 6.000 . 6.000 4.637 4.072 5.581 . 0 0 "[ . 1 . 2 . ]" 1
272 1 29 CYS HA 1 36 LEU QD 5.000 . 5.000 4.793 4.282 5.033 0.033 15 0 "[ . 1 . 2 . ]" 1
273 1 29 CYS QB 1 36 LEU QD 6.000 . 6.000 5.136 4.183 6.010 0.010 1 0 "[ . 1 . 2 . ]" 1
274 1 29 CYS HA 1 37 THR H 5.000 . 5.000 2.515 1.879 3.438 . 0 0 "[ . 1 . 2 . ]" 1
275 1 29 CYS HA 1 37 THR MG 4.000 . 4.000 3.011 2.208 3.752 . 0 0 "[ . 1 . 2 . ]" 1
276 1 29 CYS H 1 37 THR MG 6.000 . 6.000 3.032 2.169 4.017 . 0 0 "[ . 1 . 2 . ]" 1
277 1 29 CYS QB 1 37 THR MG 5.000 . 5.000 4.270 3.638 4.839 . 0 0 "[ . 1 . 2 . ]" 1
278 1 30 ASN H 1 30 ASN QD 5.000 . 5.000 4.092 3.909 4.173 . 0 0 "[ . 1 . 2 . ]" 1
279 1 30 ASN H 1 31 ALA H 5.000 . 5.000 4.008 3.755 4.264 . 0 0 "[ . 1 . 2 . ]" 1
280 1 30 ASN H 1 31 ALA MB 6.000 . 6.000 5.067 4.870 5.328 . 0 0 "[ . 1 . 2 . ]" 1
281 1 30 ASN HA 1 31 ALA H 4.000 . 4.000 2.139 2.074 2.211 . 0 0 "[ . 1 . 2 . ]" 1
282 1 30 ASN HA 1 31 ALA MB 5.000 . 5.000 3.992 3.886 4.079 . 0 0 "[ . 1 . 2 . ]" 1
283 1 30 ASN QB 1 31 ALA H 5.000 . 5.000 3.678 3.565 3.849 . 0 0 "[ . 1 . 2 . ]" 1
284 1 30 ASN QD 1 31 ALA H 6.000 . 6.000 3.812 3.409 5.409 . 0 0 "[ . 1 . 2 . ]" 1
285 1 30 ASN HA 1 32 ALA H 3.000 . 3.000 3.111 2.993 3.156 0.156 6 0 "[ . 1 . 2 . ]" 1
286 1 30 ASN HA 1 32 ALA MB 6.000 . 6.000 4.452 3.958 4.600 . 0 0 "[ . 1 . 2 . ]" 1
287 1 30 ASN QB 1 32 ALA MB 6.000 . 6.000 4.277 3.428 4.619 . 0 0 "[ . 1 . 2 . ]" 1
288 1 30 ASN QD 1 32 ALA H 6.000 . 6.000 3.784 3.426 4.909 . 0 0 "[ . 1 . 2 . ]" 1
289 1 30 ASN QD 1 32 ALA MB 4.000 . 4.000 4.019 3.682 4.062 0.062 19 0 "[ . 1 . 2 . ]" 1
290 1 30 ASN H 1 33 THR H 5.000 . 5.000 5.009 4.857 5.053 0.053 23 0 "[ . 1 . 2 . ]" 1
291 1 30 ASN QB 1 33 THR H 6.000 . 6.000 2.105 1.920 2.395 . 0 0 "[ . 1 . 2 . ]" 1
292 1 30 ASN QB 1 33 THR MG 5.000 . 5.000 3.264 1.723 3.387 . 0 0 "[ . 1 . 2 . ]" 1
293 1 30 ASN QD 1 33 THR MG 4.000 . 4.000 3.473 2.887 3.740 . 0 0 "[ . 1 . 2 . ]" 1
294 1 30 ASN H 1 35 LYS H 5.000 . 5.000 3.211 2.920 3.413 . 0 0 "[ . 1 . 2 . ]" 1
295 1 30 ASN QB 1 35 LYS H 4.000 . 4.000 2.133 1.842 2.674 . 0 0 "[ . 1 . 2 . ]" 1
296 1 30 ASN QD 1 35 LYS H 5.000 . 5.000 5.010 4.847 5.151 0.151 23 0 "[ . 1 . 2 . ]" 1
297 1 30 ASN H 1 36 LEU HA 5.000 . 5.000 2.871 2.492 3.136 . 0 0 "[ . 1 . 2 . ]" 1
298 1 30 ASN QB 1 36 LEU QD 6.000 . 6.000 5.142 4.860 5.589 . 0 0 "[ . 1 . 2 . ]" 1
299 1 30 ASN H 1 37 THR H 6.000 . 6.000 3.910 3.182 4.630 . 0 0 "[ . 1 . 2 . ]" 1
300 1 30 ASN QB 1 37 THR HA 5.000 . 5.000 4.435 3.370 4.895 . 0 0 "[ . 1 . 2 . ]" 1
301 1 30 ASN H 1 37 THR MG 5.000 . 5.000 3.422 2.943 3.725 . 0 0 "[ . 1 . 2 . ]" 1
302 1 30 ASN HA 1 37 THR MG 5.000 . 5.000 3.433 3.216 3.759 . 0 0 "[ . 1 . 2 . ]" 1
303 1 30 ASN QB 1 37 THR MG 4.000 . 4.000 3.419 2.267 4.040 0.040 16 0 "[ . 1 . 2 . ]" 1
304 1 30 ASN QD 1 37 THR HA 5.000 . 5.000 3.940 2.854 4.295 . 0 0 "[ . 1 . 2 . ]" 1
305 1 30 ASN QD 1 37 THR MG 5.000 . 5.000 2.364 1.779 3.340 . 0 0 "[ . 1 . 2 . ]" 1
306 1 31 ALA H 1 32 ALA H 4.000 . 4.000 2.267 2.197 2.518 . 0 0 "[ . 1 . 2 . ]" 1
307 1 31 ALA H 1 32 ALA MB 5.000 . 5.000 4.012 3.895 4.197 . 0 0 "[ . 1 . 2 . ]" 1
308 1 31 ALA HA 1 32 ALA H 4.000 . 4.000 3.399 3.311 3.448 . 0 0 "[ . 1 . 2 . ]" 1
309 1 31 ALA MB 1 32 ALA H 4.000 . 4.000 3.004 2.734 3.245 . 0 0 "[ . 1 . 2 . ]" 1
310 1 31 ALA MB 1 32 ALA HA 5.000 . 5.000 3.994 3.945 4.052 . 0 0 "[ . 1 . 2 . ]" 1
311 1 31 ALA H 1 33 THR H 5.000 . 5.000 3.684 3.465 4.315 . 0 0 "[ . 1 . 2 . ]" 1
312 1 31 ALA HA 1 33 THR H 5.000 . 5.000 4.044 3.741 4.697 . 0 0 "[ . 1 . 2 . ]" 1
313 1 31 ALA H 1 33 THR MG 6.000 . 6.000 6.106 5.203 6.184 0.184 27 0 "[ . 1 . 2 . ]" 1
314 1 31 ALA MB 1 33 THR H 6.000 . 6.000 4.471 4.310 4.974 . 0 0 "[ . 1 . 2 . ]" 1
315 1 31 ALA H 1 34 CYS H 6.000 . 6.000 4.806 4.544 5.159 . 0 0 "[ . 1 . 2 . ]" 1
316 1 31 ALA HA 1 34 CYS H 6.000 . 6.000 3.795 3.490 4.091 . 0 0 "[ . 1 . 2 . ]" 1
317 1 31 ALA MB 1 34 CYS H 6.000 . 6.000 4.896 4.701 5.110 . 0 0 "[ . 1 . 2 . ]" 1
318 1 31 ALA H 1 37 THR MG 5.000 . 5.000 5.027 4.928 5.073 0.073 12 0 "[ . 1 . 2 . ]" 1
319 1 32 ALA H 1 33 THR H 4.000 . 4.000 2.173 1.967 2.441 . 0 0 "[ . 1 . 2 . ]" 1
320 1 32 ALA H 1 33 THR MG 5.000 . 5.000 4.913 4.288 5.044 0.044 26 0 "[ . 1 . 2 . ]" 1
321 1 32 ALA HA 1 33 THR H 4.000 . 4.000 3.357 3.162 3.573 . 0 0 "[ . 1 . 2 . ]" 1
322 1 32 ALA MB 1 33 THR H 4.000 . 4.000 3.099 2.303 3.470 . 0 0 "[ . 1 . 2 . ]" 1
323 1 32 ALA MB 1 33 THR HA 5.000 . 5.000 4.088 3.799 4.240 . 0 0 "[ . 1 . 2 . ]" 1
324 1 32 ALA MB 1 33 THR MG 4.000 . 4.000 3.915 3.023 4.217 0.217 19 0 "[ . 1 . 2 . ]" 1
325 1 32 ALA H 1 34 CYS H 5.000 . 5.000 3.731 3.296 4.194 . 0 0 "[ . 1 . 2 . ]" 1
326 1 32 ALA MB 1 34 CYS H 6.000 . 6.000 4.542 4.111 4.820 . 0 0 "[ . 1 . 2 . ]" 1
327 1 32 ALA H 1 35 LYS H 6.000 . 6.000 5.225 4.650 5.462 . 0 0 "[ . 1 . 2 . ]" 1
328 1 33 THR H 1 34 CYS H 4.000 . 4.000 2.144 1.974 2.396 . 0 0 "[ . 1 . 2 . ]" 1
329 1 33 THR H 1 34 CYS HA 5.000 . 5.000 4.264 4.062 4.624 . 0 0 "[ . 1 . 2 . ]" 1
330 1 33 THR HA 1 34 CYS H 5.000 . 5.000 3.215 3.070 3.330 . 0 0 "[ . 1 . 2 . ]" 1
331 1 33 THR HB 1 34 CYS H 6.000 . 6.000 3.894 3.674 4.215 . 0 0 "[ . 1 . 2 . ]" 1
332 1 33 THR MG 1 34 CYS H 5.000 . 5.000 4.389 2.938 4.475 . 0 0 "[ . 1 . 2 . ]" 1
333 1 33 THR MG 1 34 CYS QB 6.000 . 6.000 4.711 3.793 5.150 . 0 0 "[ . 1 . 2 . ]" 1
334 1 33 THR HA 1 35 LYS H 5.000 . 5.000 5.036 4.690 5.116 0.116 11 0 "[ . 1 . 2 . ]" 1
335 1 33 THR HB 1 35 LYS H 4.000 . 4.000 3.769 3.576 4.167 0.167 19 0 "[ . 1 . 2 . ]" 1
336 1 33 THR HB 1 35 LYS QB 5.000 . 5.000 3.474 3.122 4.629 . 0 0 "[ . 1 . 2 . ]" 1
337 1 33 THR MG 1 35 LYS H 5.000 . 5.000 4.912 1.822 5.092 0.092 29 0 "[ . 1 . 2 . ]" 1
338 1 33 THR MG 1 35 LYS QZ 6.000 . 6.000 5.716 4.454 6.012 0.012 12 0 "[ . 1 . 2 . ]" 1
339 1 34 CYS H 1 35 LYS H 5.000 . 5.000 2.993 2.634 3.340 . 0 0 "[ . 1 . 2 . ]" 1
340 1 34 CYS HA 1 35 LYS H 4.000 . 4.000 2.730 2.597 3.019 . 0 0 "[ . 1 . 2 . ]" 1
341 1 34 CYS QB 1 35 LYS H 5.000 . 5.000 4.029 3.909 4.066 . 0 0 "[ . 1 . 2 . ]" 1
342 1 35 LYS H 1 35 LYS QG 5.000 . 5.000 4.160 3.515 4.532 . 0 0 "[ . 1 . 2 . ]" 1
343 1 35 LYS H 1 35 LYS QD 5.000 . 5.000 4.692 3.959 5.028 0.028 2 0 "[ . 1 . 2 . ]" 1
344 1 35 LYS H 1 35 LYS QE 6.000 . 6.000 5.575 4.411 6.029 0.029 10 0 "[ . 1 . 2 . ]" 1
345 1 35 LYS H 1 36 LEU H 5.000 . 5.000 4.322 4.172 4.378 . 0 0 "[ . 1 . 2 . ]" 1
346 1 35 LYS H 1 36 LEU QD 6.000 . 6.000 5.288 4.867 5.635 . 0 0 "[ . 1 . 2 . ]" 1
347 1 35 LYS HA 1 36 LEU H 4.000 . 4.000 2.415 2.187 2.574 . 0 0 "[ . 1 . 2 . ]" 1
348 1 35 LYS HA 1 36 LEU QD 6.000 . 6.000 3.438 3.200 3.708 . 0 0 "[ . 1 . 2 . ]" 1
349 1 35 LYS QB 1 36 LEU H 4.000 . 4.000 2.622 2.094 3.380 . 0 0 "[ . 1 . 2 . ]" 1
350 1 35 LYS QB 1 36 LEU QD 6.000 . 6.000 3.314 2.469 4.096 . 0 0 "[ . 1 . 2 . ]" 1
351 1 35 LYS QG 1 36 LEU H 5.000 . 5.000 2.787 1.857 3.725 . 0 0 "[ . 1 . 2 . ]" 1
352 1 35 LYS QD 1 36 LEU H 5.000 . 5.000 3.012 1.954 4.640 . 0 0 "[ . 1 . 2 . ]" 1
353 1 35 LYS QE 1 36 LEU H 5.000 . 5.000 4.576 3.874 5.018 0.018 5 0 "[ . 1 . 2 . ]" 1
354 1 35 LYS H 1 37 THR MG 6.000 . 6.000 5.475 5.052 6.003 0.003 29 0 "[ . 1 . 2 . ]" 1
355 1 36 LEU H 1 36 LEU HG 5.000 . 5.000 2.821 1.968 3.772 . 0 0 "[ . 1 . 2 . ]" 1
356 1 36 LEU H 1 36 LEU QD 5.000 . 5.000 1.945 1.735 2.336 . 0 0 "[ . 1 . 2 . ]" 1
357 1 36 LEU H 1 37 THR H 5.000 . 5.000 4.565 4.282 4.665 . 0 0 "[ . 1 . 2 . ]" 1
358 1 36 LEU HA 1 37 THR H 4.000 . 4.000 2.319 2.104 2.720 . 0 0 "[ . 1 . 2 . ]" 1
359 1 36 LEU QB 1 37 THR H 5.000 . 5.000 2.786 2.112 3.494 . 0 0 "[ . 1 . 2 . ]" 1
360 1 36 LEU HG 1 37 THR H 6.000 . 6.000 4.256 3.751 5.266 . 0 0 "[ . 1 . 2 . ]" 1
361 1 36 LEU QD 1 37 THR H 5.000 . 5.000 3.877 3.610 4.205 . 0 0 "[ . 1 . 2 . ]" 1
362 1 36 LEU QD 1 37 THR MG 5.000 . 5.000 5.040 5.002 5.089 0.089 6 0 "[ . 1 . 2 . ]" 1
363 1 36 LEU QB 1 40 SER QB 5.000 . 5.000 2.580 2.073 3.382 . 0 0 "[ . 1 . 2 . ]" 1
364 1 36 LEU HG 1 40 SER QB 6.000 . 6.000 3.797 1.982 5.769 . 0 0 "[ . 1 . 2 . ]" 1
365 1 36 LEU QD 1 40 SER H 5.000 . 5.000 3.851 3.150 5.008 0.008 18 0 "[ . 1 . 2 . ]" 1
366 1 36 LEU QD 1 40 SER QB 5.000 . 5.000 2.366 1.796 3.714 . 0 0 "[ . 1 . 2 . ]" 1
367 1 36 LEU QD 1 41 GLN H 6.000 . 6.000 4.263 3.660 4.692 . 0 0 "[ . 1 . 2 . ]" 1
368 1 36 LEU QD 1 41 GLN HA 4.000 . 4.000 3.788 3.025 4.031 0.031 20 0 "[ . 1 . 2 . ]" 1
369 1 36 LEU QD 1 42 CYS H 5.000 . 5.000 3.581 3.067 4.061 . 0 0 "[ . 1 . 2 . ]" 1
370 1 36 LEU QD 1 42 CYS HA 5.000 . 5.000 2.990 1.965 4.359 . 0 0 "[ . 1 . 2 . ]" 1
371 1 36 LEU QD 1 42 CYS QB 5.000 . 5.000 4.207 3.057 4.870 . 0 0 "[ . 1 . 2 . ]" 1
372 1 36 LEU QD 1 43 ASN H 5.000 . 5.000 3.260 2.814 4.115 . 0 0 "[ . 1 . 2 . ]" 1
373 1 36 LEU QD 1 43 ASN HA 5.000 . 5.000 3.762 2.517 5.100 0.100 21 0 "[ . 1 . 2 . ]" 1
374 1 36 LEU QD 1 43 ASN QB 5.000 . 5.000 2.882 1.930 4.070 . 0 0 "[ . 1 . 2 . ]" 1
375 1 36 LEU QD 1 44 TYR H 5.000 . 5.000 4.883 4.588 5.047 0.047 6 0 "[ . 1 . 2 . ]" 1
376 1 36 LEU QD 1 48 CYS QB 6.000 . 6.000 6.050 5.419 6.856 0.856 25 5 "[ . 1 * 2 * +-* ]" 1
377 1 36 LEU QD 1 51 CYS QB 6.000 . 6.000 4.937 4.037 6.020 0.020 25 0 "[ . 1 . 2 . ]" 1
378 1 36 LEU QD 1 53 PHE QD 6.000 . 6.000 6.636 5.735 6.962 0.962 17 21 "[***** **********+ ** **- ]" 1
379 1 36 LEU QD 1 53 PHE QE 6.000 . 6.000 5.704 4.710 6.052 0.052 13 0 "[ . 1 . 2 . ]" 1
380 1 37 THR HA 1 38 PRO QG 6.000 . 6.000 3.935 3.844 4.050 . 0 0 "[ . 1 . 2 . ]" 1
381 1 37 THR HA 1 38 PRO QD 4.000 . 4.000 2.033 1.943 2.168 . 0 0 "[ . 1 . 2 . ]" 1
382 1 37 THR HB 1 38 PRO QB 6.000 . 6.000 4.107 3.899 4.506 . 0 0 "[ . 1 . 2 . ]" 1
383 1 37 THR HB 1 38 PRO QG 6.000 . 6.000 3.994 3.149 4.314 . 0 0 "[ . 1 . 2 . ]" 1
384 1 37 THR HB 1 38 PRO QD 5.000 . 5.000 2.063 1.811 2.362 . 0 0 "[ . 1 . 2 . ]" 1
385 1 37 THR MG 1 38 PRO QB 5.000 . 5.000 5.065 5.003 5.114 0.114 12 0 "[ . 1 . 2 . ]" 1
386 1 37 THR MG 1 38 PRO QG 5.000 . 5.000 4.417 3.816 4.568 . 0 0 "[ . 1 . 2 . ]" 1
387 1 37 THR MG 1 38 PRO QD 4.000 . 4.000 2.758 2.286 2.914 . 0 0 "[ . 1 . 2 . ]" 1
388 1 37 THR MG 1 40 SER QB 5.000 . 5.000 4.900 3.765 5.058 0.058 1 0 "[ . 1 . 2 . ]" 1
389 1 38 PRO HA 1 39 GLY H 2.200 . 2.200 2.205 2.160 2.230 0.030 15 0 "[ . 1 . 2 . ]" 1
390 1 38 PRO HA 1 39 GLY QA 5.000 . 5.000 3.966 3.911 3.983 . 0 0 "[ . 1 . 2 . ]" 1
391 1 38 PRO QB 1 39 GLY H 4.000 . 4.000 3.078 2.945 3.527 . 0 0 "[ . 1 . 2 . ]" 1
392 1 38 PRO QB 1 39 GLY QA 5.000 . 5.000 3.747 3.703 3.913 . 0 0 "[ . 1 . 2 . ]" 1
393 1 38 PRO QG 1 39 GLY H 5.000 . 5.000 4.539 4.438 4.719 . 0 0 "[ . 1 . 2 . ]" 1
394 1 38 PRO QD 1 39 GLY H 6.000 . 6.000 5.001 4.899 5.016 . 0 0 "[ . 1 . 2 . ]" 1
395 1 39 GLY H 1 40 SER H 4.000 . 4.000 2.910 2.647 3.210 . 0 0 "[ . 1 . 2 . ]" 1
396 1 39 GLY H 1 40 SER HA 6.000 . 6.000 5.252 5.083 5.408 . 0 0 "[ . 1 . 2 . ]" 1
397 1 39 GLY QA 1 40 SER H 5.000 . 5.000 2.801 2.688 2.934 . 0 0 "[ . 1 . 2 . ]" 1
398 1 39 GLY QA 1 52 ARG HE 6.000 . 6.000 5.195 3.741 6.009 0.009 22 0 "[ . 1 . 2 . ]" 1
399 1 40 SER H 1 41 GLN H 6.000 . 6.000 4.417 4.198 4.642 . 0 0 "[ . 1 . 2 . ]" 1
400 1 40 SER HA 1 41 GLN H 4.000 . 4.000 2.162 2.140 2.286 . 0 0 "[ . 1 . 2 . ]" 1
401 1 40 SER HA 1 41 GLN QB 6.000 . 6.000 4.301 4.034 4.578 . 0 0 "[ . 1 . 2 . ]" 1
402 1 40 SER HA 1 41 GLN QG 5.000 . 5.000 4.246 3.549 5.015 0.015 16 0 "[ . 1 . 2 . ]" 1
403 1 40 SER QB 1 41 GLN H 5.000 . 5.000 3.691 2.788 3.963 . 0 0 "[ . 1 . 2 . ]" 1
404 1 40 SER QB 1 42 CYS H 5.000 . 5.000 3.962 3.072 4.783 . 0 0 "[ . 1 . 2 . ]" 1
405 1 40 SER HA 1 42 CYS H 5.000 . 5.000 3.731 3.247 4.254 . 0 0 "[ . 1 . 2 . ]" 1
406 1 40 SER HA 1 51 CYS QB 5.000 . 5.000 2.473 1.932 3.463 . 0 0 "[ . 1 . 2 . ]" 1
407 1 40 SER QB 1 51 CYS QB 5.000 . 5.000 2.655 1.901 3.946 . 0 0 "[ . 1 . 2 . ]" 1
408 1 40 SER HA 1 52 ARG QG 6.000 . 6.000 4.426 3.227 5.987 . 0 0 "[ . 1 . 2 . ]" 1
409 1 40 SER HA 1 52 ARG QD 6.000 . 6.000 4.752 2.402 6.001 0.001 2 0 "[ . 1 . 2 . ]" 1
410 1 40 SER HA 1 52 ARG HE 6.000 . 6.000 5.133 3.157 6.008 0.008 16 0 "[ . 1 . 2 . ]" 1
411 1 41 GLN H 1 41 GLN QG 5.000 . 5.000 2.738 1.986 3.598 . 0 0 "[ . 1 . 2 . ]" 1
412 1 41 GLN H 1 41 GLN QE 5.000 . 5.000 4.581 4.153 5.001 0.001 23 0 "[ . 1 . 2 . ]" 1
413 1 41 GLN H 1 42 CYS H 4.000 . 4.000 2.452 2.113 2.569 . 0 0 "[ . 1 . 2 . ]" 1
414 1 41 GLN HA 1 42 CYS H 5.000 . 5.000 3.494 3.359 3.563 . 0 0 "[ . 1 . 2 . ]" 1
415 1 41 GLN QB 1 42 CYS H 5.000 . 5.000 2.772 2.331 3.264 . 0 0 "[ . 1 . 2 . ]" 1
416 1 41 GLN QG 1 42 CYS H 5.000 . 5.000 4.218 3.669 4.650 . 0 0 "[ . 1 . 2 . ]" 1
417 1 41 GLN QB 1 47 CYS QB 6.000 . 6.000 5.997 5.532 6.062 0.062 25 0 "[ . 1 . 2 . ]" 1
418 1 41 GLN H 1 51 CYS QB 6.000 . 6.000 3.824 3.205 4.542 . 0 0 "[ . 1 . 2 . ]" 1
419 1 41 GLN QB 1 51 CYS H 6.000 . 6.000 6.156 5.747 7.006 1.006 29 4 "[ * . 1 - . 2 .* +]" 1
420 1 41 GLN H 1 52 ARG HA 5.000 . 5.000 2.730 2.419 3.732 . 0 0 "[ . 1 . 2 . ]" 1
421 1 41 GLN H 1 52 ARG QG 6.000 . 6.000 3.735 2.463 4.682 . 0 0 "[ . 1 . 2 . ]" 1
422 1 41 GLN H 1 52 ARG QD 5.000 . 5.000 4.089 2.369 5.007 0.007 20 0 "[ . 1 . 2 . ]" 1
423 1 41 GLN HA 1 52 ARG QD 6.000 . 6.000 5.783 4.047 7.005 1.005 20 6 "[ .* 1 .* *+ - .* ]" 1
424 1 41 GLN QB 1 52 ARG H 6.000 . 6.000 4.490 3.966 5.213 . 0 0 "[ . 1 . 2 . ]" 1
425 1 41 GLN QB 1 52 ARG HA 4.500 . 4.500 2.209 1.956 3.090 . 0 0 "[ . 1 . 2 . ]" 1
426 1 41 GLN QB 1 52 ARG QB 6.000 . 6.000 4.034 2.904 4.963 . 0 0 "[ . 1 . 2 . ]" 1
427 1 41 GLN QB 1 52 ARG QG 6.000 . 6.000 3.608 2.181 5.064 . 0 0 "[ . 1 . 2 . ]" 1
428 1 41 GLN QB 1 52 ARG QD 6.000 . 6.000 3.876 2.024 5.462 . 0 0 "[ . 1 . 2 . ]" 1
429 1 41 GLN QG 1 52 ARG HA 5.000 . 5.000 2.977 1.951 4.001 . 0 0 "[ . 1 . 2 . ]" 1
430 1 41 GLN QG 1 52 ARG QB 5.000 . 5.000 4.107 2.514 4.930 . 0 0 "[ . 1 . 2 . ]" 1
431 1 41 GLN QG 1 52 ARG QG 6.000 . 6.000 3.175 1.915 5.475 . 0 0 "[ . 1 . 2 . ]" 1
432 1 41 GLN QG 1 52 ARG QD 5.000 . 5.000 3.220 1.840 5.005 0.005 16 0 "[ . 1 . 2 . ]" 1
433 1 41 GLN QG 1 52 ARG HE 6.000 . 6.000 2.766 1.849 4.197 . 0 0 "[ . 1 . 2 . ]" 1
434 1 41 GLN QE 1 52 ARG HA 6.000 . 6.000 4.641 2.636 5.741 . 0 0 "[ . 1 . 2 . ]" 1
435 1 41 GLN QE 1 52 ARG QB 6.000 . 6.000 5.297 2.050 7.000 1.000 9 9 "[* . * +1** . * 2* *. - ]" 1
436 1 41 GLN QE 1 52 ARG QD 6.000 . 6.000 4.575 1.972 6.760 0.760 9 1 "[ . +1 . 2 . ]" 1
437 1 41 GLN H 1 53 PHE H 5.000 . 5.000 4.621 4.193 5.008 0.008 28 0 "[ . 1 . 2 . ]" 1
438 1 41 GLN HA 1 53 PHE H 6.000 . 6.000 5.643 4.981 6.003 0.003 21 0 "[ . 1 . 2 . ]" 1
439 1 41 GLN HA 1 53 PHE QB 6.000 . 6.000 6.400 5.721 6.688 0.688 28 16 "[***** * ****-*. * 2* *. + ]" 1
440 1 41 GLN HA 1 53 PHE QD 6.000 . 6.000 5.470 4.801 5.789 . 0 0 "[ . 1 . 2 . ]" 1
441 1 41 GLN HA 1 53 PHE QE 6.000 . 6.000 4.778 4.040 5.189 . 0 0 "[ . 1 . 2 . ]" 1
442 1 41 GLN QB 1 53 PHE H 4.000 . 4.000 2.721 2.230 3.103 . 0 0 "[ . 1 . 2 . ]" 1
443 1 41 GLN QB 1 53 PHE QB 6.000 . 6.000 3.719 3.282 3.992 . 0 0 "[ . 1 . 2 . ]" 1
444 1 41 GLN QB 1 53 PHE QD 5.000 . 5.000 3.176 2.494 3.483 . 0 0 "[ . 1 . 2 . ]" 1
445 1 41 GLN QB 1 53 PHE QE 4.500 . 4.500 3.119 2.592 3.944 . 0 0 "[ . 1 . 2 . ]" 1
446 1 41 GLN QG 1 53 PHE H 5.000 . 5.000 3.268 1.959 4.179 . 0 0 "[ . 1 . 2 . ]" 1
447 1 41 GLN QG 1 53 PHE QD 5.500 . 5.500 3.910 2.650 4.710 . 0 0 "[ . 1 . 2 . ]" 1
448 1 41 GLN QG 1 53 PHE QE 5.000 . 5.000 4.337 3.144 5.001 0.001 2 0 "[ . 1 . 2 . ]" 1
449 1 41 GLN QE 1 53 PHE H 6.000 . 6.000 4.098 1.974 5.812 . 0 0 "[ . 1 . 2 . ]" 1
450 1 41 GLN QE 1 53 PHE HA 6.000 . 6.000 5.887 4.337 7.014 1.014 16 9 "[ ** . * 1*-* .+ 2* . * ]" 1
451 1 41 GLN QE 1 53 PHE QB 6.000 . 6.000 4.082 2.244 5.689 . 0 0 "[ . 1 . 2 . ]" 1
452 1 41 GLN QE 1 53 PHE QD 5.000 . 5.000 3.244 1.871 4.606 . 0 0 "[ . 1 . 2 . ]" 1
453 1 41 GLN QE 1 53 PHE QE 6.000 . 6.000 3.423 2.026 5.259 . 0 0 "[ . 1 . 2 . ]" 1
454 1 42 CYS H 1 43 ASN H 5.000 . 5.000 4.308 4.201 4.525 . 0 0 "[ . 1 . 2 . ]" 1
455 1 42 CYS HA 1 43 ASN H 4.000 . 4.000 2.253 2.182 2.410 . 0 0 "[ . 1 . 2 . ]" 1
456 1 42 CYS QB 1 43 ASN H 5.000 . 5.000 3.141 2.364 3.625 . 0 0 "[ . 1 . 2 . ]" 1
457 1 42 CYS HA 1 44 TYR H 4.000 . 4.000 4.028 4.006 4.058 0.058 11 0 "[ . 1 . 2 . ]" 1
458 1 42 CYS HA 1 48 CYS QB 6.000 . 6.000 5.007 4.121 5.890 . 0 0 "[ . 1 . 2 . ]" 1
459 1 42 CYS QB 1 48 CYS QB 6.000 . 6.000 2.965 1.968 3.997 . 0 0 "[ . 1 . 2 . ]" 1
460 1 42 CYS H 1 51 CYS H 6.000 . 6.000 5.599 4.389 6.034 0.034 11 0 "[ . 1 . 2 . ]" 1
461 1 42 CYS H 1 51 CYS QB 6.000 . 6.000 4.615 3.826 5.266 . 0 0 "[ . 1 . 2 . ]" 1
462 1 42 CYS H 1 52 ARG H 5.000 . 5.000 4.327 3.639 4.959 . 0 0 "[ . 1 . 2 . ]" 1
463 1 42 CYS H 1 52 ARG HA 5.000 . 5.000 3.578 2.618 4.268 . 0 0 "[ . 1 . 2 . ]" 1
464 1 42 CYS H 1 53 PHE H 6.000 . 6.000 5.014 4.267 5.454 . 0 0 "[ . 1 . 2 . ]" 1
465 1 42 CYS HA 1 53 PHE QD 6.000 . 6.000 5.625 3.998 6.015 0.015 6 0 "[ . 1 . 2 . ]" 1
466 1 42 CYS HA 1 53 PHE QE 6.000 . 6.000 4.286 2.572 4.912 . 0 0 "[ . 1 . 2 . ]" 1
467 1 42 CYS QB 1 53 PHE QD 6.000 . 6.000 3.235 2.346 4.010 . 0 0 "[ . 1 . 2 . ]" 1
468 1 42 CYS QB 1 53 PHE QE 5.000 . 5.000 2.089 1.855 2.537 . 0 0 "[ . 1 . 2 . ]" 1
469 1 42 CYS QB 1 77 SER H 6.000 . 6.000 4.658 4.229 5.372 . 0 0 "[ . 1 . 2 . ]" 1
470 1 42 CYS QB 1 77 SER HA 5.000 . 5.000 3.925 3.565 4.598 . 0 0 "[ . 1 . 2 . ]" 1
471 1 43 ASN H 1 44 TYR H 3.000 . 3.000 2.272 1.857 2.514 . 0 0 "[ . 1 . 2 . ]" 1
472 1 43 ASN H 1 44 TYR QB 6.000 . 6.000 4.880 4.338 5.213 . 0 0 "[ . 1 . 2 . ]" 1
473 1 43 ASN H 1 44 TYR QD 6.000 . 6.000 4.953 4.021 6.017 0.017 23 0 "[ . 1 . 2 . ]" 1
474 1 43 ASN HA 1 44 TYR H 4.000 . 4.000 3.493 3.446 3.519 . 0 0 "[ . 1 . 2 . ]" 1
475 1 43 ASN HA 1 44 TYR QD 6.000 . 6.000 5.082 4.544 6.045 0.045 21 0 "[ . 1 . 2 . ]" 1
476 1 43 ASN QB 1 44 TYR H 5.000 . 5.000 3.168 2.627 3.472 . 0 0 "[ . 1 . 2 . ]" 1
477 1 43 ASN QB 1 44 TYR QD 6.000 . 6.000 3.169 2.650 4.905 . 0 0 "[ . 1 . 2 . ]" 1
478 1 43 ASN H 1 53 PHE QD 6.000 . 6.000 6.822 5.467 7.018 1.018 10 25 "[*********+******** *-* *.*** ]" 1
479 1 43 ASN H 1 53 PHE QE 6.000 . 6.000 5.550 3.579 6.003 0.003 21 0 "[ . 1 . 2 . ]" 1
480 1 44 TYR H 1 44 TYR QD 5.000 . 5.000 3.588 3.128 4.352 . 0 0 "[ . 1 . 2 . ]" 1
481 1 44 TYR H 1 44 TYR QE 6.000 . 6.000 5.019 4.649 6.340 0.340 23 0 "[ . 1 . 2 . ]" 1
482 1 44 TYR H 1 45 GLY H 5.000 . 5.000 4.320 3.558 4.414 . 0 0 "[ . 1 . 2 . ]" 1
483 1 44 TYR HA 1 45 GLY H 5.000 . 5.000 2.378 2.151 2.613 . 0 0 "[ . 1 . 2 . ]" 1
484 1 44 TYR QB 1 45 GLY H 4.000 . 4.000 2.640 2.085 3.853 . 0 0 "[ . 1 . 2 . ]" 1
485 1 44 TYR QD 1 45 GLY H 5.000 . 5.000 2.728 2.108 2.925 . 0 0 "[ . 1 . 2 . ]" 1
486 1 44 TYR QD 1 45 GLY QA 5.000 . 5.000 2.515 2.338 3.261 . 0 0 "[ . 1 . 2 . ]" 1
487 1 44 TYR QE 1 45 GLY H 5.000 . 5.000 4.941 3.805 5.070 0.070 29 0 "[ . 1 . 2 . ]" 1
488 1 44 TYR QE 1 45 GLY QA 6.000 . 6.000 3.740 3.461 4.982 . 0 0 "[ . 1 . 2 . ]" 1
489 1 44 TYR QD 1 46 GLU H 5.000 . 5.000 5.007 4.890 5.064 0.064 21 0 "[ . 1 . 2 . ]" 1
490 1 44 TYR QE 1 46 GLU H 6.000 . 6.000 5.903 5.495 6.072 0.072 13 0 "[ . 1 . 2 . ]" 1
491 1 44 TYR H 1 48 CYS QB 5.000 . 5.000 3.419 2.782 4.325 . 0 0 "[ . 1 . 2 . ]" 1
492 1 44 TYR H 1 77 SER QB 5.000 . 5.000 4.534 3.309 5.032 0.032 29 0 "[ . 1 . 2 . ]" 1
493 1 45 GLY H 1 46 GLU H 5.000 . 5.000 4.372 4.036 4.435 . 0 0 "[ . 1 . 2 . ]" 1
494 1 45 GLY QA 1 46 GLU H 4.000 . 4.000 2.258 2.132 2.289 . 0 0 "[ . 1 . 2 . ]" 1
495 1 45 GLY QA 1 46 GLU QG 5.000 . 5.000 4.430 3.979 4.939 . 0 0 "[ . 1 . 2 . ]" 1
496 1 45 GLY H 1 47 CYS HA 6.000 . 6.000 6.861 6.510 7.036 1.036 6 29 [*****+*-*********************] 1
497 1 45 GLY QA 1 47 CYS H 5.000 . 5.000 3.354 3.062 3.538 . 0 0 "[ . 1 . 2 . ]" 1
498 1 45 GLY QA 1 48 CYS H 6.000 . 6.000 3.659 3.101 4.281 . 0 0 "[ . 1 . 2 . ]" 1
499 1 45 GLY QA 1 48 CYS QB 6.000 . 6.000 3.005 2.372 3.334 . 0 0 "[ . 1 . 2 . ]" 1
500 1 45 GLY QA 1 77 SER QB 6.000 . 6.000 2.771 1.825 3.714 . 0 0 "[ . 1 . 2 . ]" 1
501 1 46 GLU H 1 46 GLU QG 5.000 . 5.000 3.078 2.609 3.577 . 0 0 "[ . 1 . 2 . ]" 1
502 1 46 GLU H 1 47 CYS H 4.000 . 4.000 2.735 2.591 2.958 . 0 0 "[ . 1 . 2 . ]" 1
503 1 46 GLU HA 1 47 CYS H 4.000 . 4.000 3.522 3.475 3.553 . 0 0 "[ . 1 . 2 . ]" 1
504 1 46 GLU QB 1 47 CYS H 4.000 . 4.000 2.660 2.504 2.924 . 0 0 "[ . 1 . 2 . ]" 1
505 1 46 GLU QG 1 47 CYS H 5.000 . 5.000 4.449 4.296 4.673 . 0 0 "[ . 1 . 2 . ]" 1
506 1 46 GLU H 1 48 CYS H 5.000 . 5.000 4.204 3.785 4.713 . 0 0 "[ . 1 . 2 . ]" 1
507 1 46 GLU HA 1 48 CYS H 5.000 . 5.000 3.989 3.740 4.274 . 0 0 "[ . 1 . 2 . ]" 1
508 1 46 GLU QB 1 48 CYS H 6.000 . 6.000 4.537 4.349 4.827 . 0 0 "[ . 1 . 2 . ]" 1
509 1 46 GLU QG 1 48 CYS H 6.000 . 6.000 5.679 5.491 6.003 0.003 21 0 "[ . 1 . 2 . ]" 1
510 1 46 GLU H 1 60 CYS QB 6.000 . 6.000 5.488 5.135 6.021 0.021 8 0 "[ . 1 . 2 . ]" 1
511 1 46 GLU HA 1 60 CYS QB 6.000 . 6.000 3.635 2.894 4.388 . 0 0 "[ . 1 . 2 . ]" 1
512 1 46 GLU QB 1 60 CYS HA 5.000 . 5.000 4.928 4.706 5.022 0.022 16 0 "[ . 1 . 2 . ]" 1
513 1 46 GLU QB 1 60 CYS QB 4.000 . 4.000 2.563 2.382 3.020 . 0 0 "[ . 1 . 2 . ]" 1
514 1 46 GLU QG 1 60 CYS HA 5.000 . 5.000 4.999 4.721 5.053 0.053 8 0 "[ . 1 . 2 . ]" 1
515 1 46 GLU QG 1 60 CYS QB 5.000 . 5.000 2.970 2.632 3.836 . 0 0 "[ . 1 . 2 . ]" 1
516 1 46 GLU QB 1 77 SER HA 5.000 . 5.000 5.036 5.001 5.093 0.093 13 0 "[ . 1 . 2 . ]" 1
517 1 46 GLU H 1 78 ASP HA 4.000 . 4.000 4.020 4.001 4.044 0.044 20 0 "[ . 1 . 2 . ]" 1
518 1 46 GLU QB 1 78 ASP HA 5.000 . 5.000 2.778 2.420 3.336 . 0 0 "[ . 1 . 2 . ]" 1
519 1 46 GLU H 1 79 CYS H 5.000 . 5.000 4.964 4.639 5.025 0.025 20 0 "[ . 1 . 2 . ]" 1
520 1 46 GLU H 1 79 CYS QB 5.000 . 5.000 5.004 4.891 5.088 0.088 8 0 "[ . 1 . 2 . ]" 1
521 1 46 GLU HA 1 79 CYS H 6.000 . 6.000 5.645 4.945 6.349 0.349 23 0 "[ . 1 . 2 . ]" 1
522 1 46 GLU QB 1 79 CYS H 5.000 . 5.000 2.728 2.196 3.270 . 0 0 "[ . 1 . 2 . ]" 1
523 1 46 GLU QB 1 79 CYS HA 6.000 . 6.000 4.344 4.145 4.756 . 0 0 "[ . 1 . 2 . ]" 1
524 1 46 GLU QB 1 79 CYS QB 5.000 . 5.000 2.005 1.759 2.545 . 0 0 "[ . 1 . 2 . ]" 1
525 1 46 GLU QG 1 79 CYS H 6.000 . 6.000 3.950 3.257 4.425 . 0 0 "[ . 1 . 2 . ]" 1
526 1 46 GLU QG 1 79 CYS HA 6.000 . 6.000 5.816 5.341 6.028 0.028 16 0 "[ . 1 . 2 . ]" 1
527 1 46 GLU QG 1 79 CYS QB 6.000 . 6.000 3.308 2.972 3.853 . 0 0 "[ . 1 . 2 . ]" 1
528 1 47 CYS H 1 48 CYS H 4.000 . 4.000 2.729 2.319 3.089 . 0 0 "[ . 1 . 2 . ]" 1
529 1 47 CYS H 1 48 CYS HA 6.000 . 6.000 4.861 4.629 5.129 . 0 0 "[ . 1 . 2 . ]" 1
530 1 47 CYS H 1 48 CYS QB 6.000 . 6.000 4.204 3.723 4.582 . 0 0 "[ . 1 . 2 . ]" 1
531 1 47 CYS HA 1 48 CYS H 4.000 . 4.000 3.025 2.836 3.447 . 0 0 "[ . 1 . 2 . ]" 1
532 1 47 CYS QB 1 48 CYS H 5.000 . 5.000 3.668 3.040 3.852 . 0 0 "[ . 1 . 2 . ]" 1
533 1 47 CYS QB 1 48 CYS HA 6.000 . 6.000 4.158 3.901 4.365 . 0 0 "[ . 1 . 2 . ]" 1
534 1 47 CYS QB 1 53 PHE QD 6.000 . 6.000 2.763 2.431 3.338 . 0 0 "[ . 1 . 2 . ]" 1
535 1 47 CYS HA 1 54 LYS QB 5.000 . 5.000 2.310 1.896 3.059 . 0 0 "[ . 1 . 2 . ]" 1
536 1 47 CYS HA 1 54 LYS QG 5.000 . 5.000 3.270 1.929 4.405 . 0 0 "[ . 1 . 2 . ]" 1
537 1 47 CYS HA 1 54 LYS QD 5.000 . 5.000 3.117 1.985 4.696 . 0 0 "[ . 1 . 2 . ]" 1
538 1 47 CYS QB 1 54 LYS H 5.000 . 5.000 2.774 2.343 3.782 . 0 0 "[ . 1 . 2 . ]" 1
539 1 47 CYS QB 1 54 LYS QB 6.000 . 6.000 3.342 2.670 3.892 . 0 0 "[ . 1 . 2 . ]" 1
540 1 47 CYS QB 1 54 LYS QG 6.000 . 6.000 4.530 3.299 5.699 . 0 0 "[ . 1 . 2 . ]" 1
541 1 47 CYS QB 1 54 LYS QE 6.000 . 6.000 5.717 4.187 6.565 0.565 18 2 "[ . 1 . + 2 .- ]" 1
542 1 47 CYS HA 1 58 THR HB 5.000 . 5.000 5.030 5.003 5.063 0.063 13 0 "[ . 1 . 2 . ]" 1
543 1 47 CYS HA 1 58 THR MG 6.000 . 6.000 4.395 4.176 4.793 . 0 0 "[ . 1 . 2 . ]" 1
544 1 47 CYS HA 1 72 CYS QB 6.000 . 6.000 3.808 3.507 4.409 . 0 0 "[ . 1 . 2 . ]" 1
545 1 47 CYS QB 1 72 CYS H 6.000 . 6.000 6.161 5.567 6.390 0.390 21 0 "[ . 1 . 2 . ]" 1
546 1 47 CYS QB 1 72 CYS QB 5.000 . 5.000 4.017 3.180 4.214 . 0 0 "[ . 1 . 2 . ]" 1
547 1 47 CYS HA 1 73 THR H 6.000 . 6.000 5.854 5.579 6.018 0.018 13 0 "[ . 1 . 2 . ]" 1
548 1 47 CYS QB 1 73 THR H 6.000 . 6.000 4.285 3.726 4.486 . 0 0 "[ . 1 . 2 . ]" 1
549 1 47 CYS QB 1 76 SER H 6.000 . 6.000 3.915 3.729 4.212 . 0 0 "[ . 1 . 2 . ]" 1
550 1 47 CYS H 1 77 SER HA 5.000 . 5.000 3.090 2.873 3.304 . 0 0 "[ . 1 . 2 . ]" 1
551 1 47 CYS QB 1 77 SER H 6.000 . 6.000 4.036 3.916 4.169 . 0 0 "[ . 1 . 2 . ]" 1
552 1 47 CYS QB 1 77 SER HA 4.000 . 4.000 1.975 1.711 2.203 . 0 0 "[ . 1 . 2 . ]" 1
553 1 47 CYS QB 1 77 SER QB 6.000 . 6.000 3.606 3.438 3.812 . 0 0 "[ . 1 . 2 . ]" 1
554 1 47 CYS H 1 78 ASP HA 4.000 . 4.000 3.727 3.441 4.002 0.002 8 0 "[ . 1 . 2 . ]" 1
555 1 47 CYS H 1 78 ASP QB 6.000 . 6.000 5.464 5.102 5.718 . 0 0 "[ . 1 . 2 . ]" 1
556 1 47 CYS QB 1 78 ASP H 6.000 . 6.000 3.031 2.814 3.359 . 0 0 "[ . 1 . 2 . ]" 1
557 1 47 CYS QB 1 78 ASP HA 6.000 . 6.000 3.746 3.428 4.249 . 0 0 "[ . 1 . 2 . ]" 1
558 1 47 CYS H 1 79 CYS H 6.000 . 6.000 4.626 4.238 4.993 . 0 0 "[ . 1 . 2 . ]" 1
559 1 47 CYS H 1 79 CYS QB 6.000 . 6.000 4.191 3.907 4.544 . 0 0 "[ . 1 . 2 . ]" 1
560 1 47 CYS QB 1 79 CYS HA 6.000 . 6.000 4.548 3.563 5.079 . 0 0 "[ . 1 . 2 . ]" 1
561 1 48 CYS H 1 49 ASP H 5.000 . 5.000 4.369 3.957 4.580 . 0 0 "[ . 1 . 2 . ]" 1
562 1 48 CYS HA 1 49 ASP H 4.000 . 4.000 2.158 2.101 2.392 . 0 0 "[ . 1 . 2 . ]" 1
563 1 48 CYS HA 1 49 ASP QB 5.000 . 5.000 4.032 3.829 4.334 . 0 0 "[ . 1 . 2 . ]" 1
564 1 48 CYS QB 1 49 ASP H 6.000 . 6.000 3.372 2.987 3.872 . 0 0 "[ . 1 . 2 . ]" 1
565 1 48 CYS H 1 50 GLN H 6.000 . 6.000 6.998 6.907 7.053 1.053 13 29 [********-***+****************] 1
566 1 48 CYS HA 1 52 ARG H 5.000 . 5.000 4.325 3.941 4.692 . 0 0 "[ . 1 . 2 . ]" 1
567 1 48 CYS H 1 53 PHE HA 6.000 . 6.000 4.892 4.540 5.184 . 0 0 "[ . 1 . 2 . ]" 1
568 1 48 CYS H 1 53 PHE QD 6.000 . 6.000 4.616 3.799 5.050 . 0 0 "[ . 1 . 2 . ]" 1
569 1 48 CYS HA 1 53 PHE H 6.000 . 6.000 5.070 4.825 5.472 . 0 0 "[ . 1 . 2 . ]" 1
570 1 48 CYS HA 1 53 PHE HA 5.000 . 5.000 2.903 2.498 3.404 . 0 0 "[ . 1 . 2 . ]" 1
571 1 48 CYS HA 1 53 PHE QD 4.000 . 4.000 3.101 2.532 3.635 . 0 0 "[ . 1 . 2 . ]" 1
572 1 48 CYS HA 1 53 PHE QE 5.000 . 5.000 4.438 3.926 5.001 0.001 8 0 "[ . 1 . 2 . ]" 1
573 1 48 CYS QB 1 53 PHE QD 5.000 . 5.000 4.354 4.005 4.862 . 0 0 "[ . 1 . 2 . ]" 1
574 1 48 CYS QB 1 53 PHE QE 5.000 . 5.000 4.499 3.712 5.031 0.031 25 0 "[ . 1 . 2 . ]" 1
575 1 48 CYS H 1 54 LYS H 6.000 . 6.000 4.443 4.195 4.767 . 0 0 "[ . 1 . 2 . ]" 1
576 1 48 CYS H 1 54 LYS QB 6.000 . 6.000 4.560 3.950 5.494 . 0 0 "[ . 1 . 2 . ]" 1
577 1 48 CYS H 1 54 LYS QG 6.000 . 6.000 4.232 3.043 5.860 . 0 0 "[ . 1 . 2 . ]" 1
578 1 48 CYS H 1 54 LYS QD 6.000 . 6.000 4.141 2.657 6.006 0.006 5 0 "[ . 1 . 2 . ]" 1
579 1 48 CYS H 1 54 LYS QE 5.000 . 5.000 4.405 2.542 5.002 0.002 25 0 "[ . 1 . 2 . ]" 1
580 1 48 CYS HA 1 54 LYS H 4.000 . 4.000 3.681 3.217 4.011 0.011 23 0 "[ . 1 . 2 . ]" 1
581 1 48 CYS HA 1 54 LYS HA 6.000 . 6.000 5.570 5.151 6.020 0.020 23 0 "[ . 1 . 2 . ]" 1
582 1 48 CYS HA 1 54 LYS QB 6.000 . 6.000 4.978 4.338 5.690 . 0 0 "[ . 1 . 2 . ]" 1
583 1 48 CYS HA 1 54 LYS QG 6.000 . 6.000 4.316 3.636 5.408 . 0 0 "[ . 1 . 2 . ]" 1
584 1 48 CYS H 1 77 SER HA 5.000 . 5.000 4.256 3.237 4.900 . 0 0 "[ . 1 . 2 . ]" 1
585 1 48 CYS HA 1 77 SER HA 5.000 . 5.000 4.470 4.101 4.928 . 0 0 "[ . 1 . 2 . ]" 1
586 1 48 CYS QB 1 77 SER HA 5.000 . 5.000 4.437 3.904 4.851 . 0 0 "[ . 1 . 2 . ]" 1
587 1 49 ASP H 1 50 GLN H 5.000 . 5.000 3.975 3.591 4.273 . 0 0 "[ . 1 . 2 . ]" 1
588 1 49 ASP H 1 50 GLN HA 6.000 . 6.000 5.535 5.035 5.824 . 0 0 "[ . 1 . 2 . ]" 1
589 1 49 ASP H 1 50 GLN QB 6.000 . 6.000 4.724 4.541 5.586 . 0 0 "[ . 1 . 2 . ]" 1
590 1 49 ASP HA 1 50 GLN H 3.000 . 3.000 2.152 2.115 2.175 . 0 0 "[ . 1 . 2 . ]" 1
591 1 49 ASP HA 1 50 GLN HA 4.500 . 4.500 4.368 4.344 4.385 . 0 0 "[ . 1 . 2 . ]" 1
592 1 49 ASP HA 1 50 GLN QB 5.000 . 5.000 4.149 3.962 4.466 . 0 0 "[ . 1 . 2 . ]" 1
593 1 49 ASP HA 1 50 GLN QG 6.000 . 6.000 5.040 3.630 5.906 . 0 0 "[ . 1 . 2 . ]" 1
594 1 49 ASP QB 1 50 GLN H 5.000 . 5.000 3.763 3.435 3.942 . 0 0 "[ . 1 . 2 . ]" 1
595 1 49 ASP QB 1 50 GLN HA 6.000 . 6.000 5.221 4.861 5.474 . 0 0 "[ . 1 . 2 . ]" 1
596 1 49 ASP H 1 51 CYS H 5.000 . 5.000 4.097 3.587 4.480 . 0 0 "[ . 1 . 2 . ]" 1
597 1 49 ASP HA 1 51 CYS H 5.000 . 5.000 4.687 3.550 5.013 0.013 1 0 "[ . 1 . 2 . ]" 1
598 1 49 ASP H 1 52 ARG H 4.000 . 4.000 2.852 2.504 3.168 . 0 0 "[ . 1 . 2 . ]" 1
599 1 49 ASP H 1 52 ARG QB 6.000 . 6.000 4.452 4.042 4.773 . 0 0 "[ . 1 . 2 . ]" 1
600 1 49 ASP H 1 52 ARG QG 6.000 . 6.000 5.781 5.208 6.019 0.019 2 0 "[ . 1 . 2 . ]" 1
601 1 49 ASP HA 1 52 ARG H 5.000 . 5.000 4.703 4.327 4.965 . 0 0 "[ . 1 . 2 . ]" 1
602 1 49 ASP H 1 53 PHE H 6.000 . 6.000 5.081 4.752 5.396 . 0 0 "[ . 1 . 2 . ]" 1
603 1 49 ASP H 1 53 PHE HA 5.000 . 5.000 3.738 3.319 4.085 . 0 0 "[ . 1 . 2 . ]" 1
604 1 49 ASP H 1 53 PHE QD 6.000 . 6.000 4.700 4.203 5.345 . 0 0 "[ . 1 . 2 . ]" 1
605 1 49 ASP H 1 54 LYS H 5.000 . 5.000 4.353 3.738 4.986 . 0 0 "[ . 1 . 2 . ]" 1
606 1 49 ASP H 1 54 LYS HA 6.000 . 6.000 5.124 4.328 5.832 . 0 0 "[ . 1 . 2 . ]" 1
607 1 49 ASP H 1 54 LYS QB 6.000 . 6.000 5.411 4.670 5.987 . 0 0 "[ . 1 . 2 . ]" 1
608 1 49 ASP H 1 54 LYS QG 5.000 . 5.000 4.055 3.119 4.888 . 0 0 "[ . 1 . 2 . ]" 1
609 1 49 ASP H 1 54 LYS QD 6.000 . 6.000 4.889 3.879 6.001 0.001 14 0 "[ . 1 . 2 . ]" 1
610 1 49 ASP H 1 54 LYS QE 6.000 . 6.000 4.779 3.621 5.862 . 0 0 "[ . 1 . 2 . ]" 1
611 1 49 ASP HA 1 54 LYS QG 6.000 . 6.000 4.519 4.055 5.003 . 0 0 "[ . 1 . 2 . ]" 1
612 1 49 ASP QB 1 54 LYS H 5.000 . 5.000 4.197 3.326 5.001 0.001 21 0 "[ . 1 . 2 . ]" 1
613 1 49 ASP QB 1 54 LYS HA 5.000 . 5.000 3.530 2.737 4.141 . 0 0 "[ . 1 . 2 . ]" 1
614 1 49 ASP QB 1 54 LYS QB 5.000 . 5.000 4.085 3.396 4.605 . 0 0 "[ . 1 . 2 . ]" 1
615 1 49 ASP QB 1 54 LYS QG 4.000 . 4.000 2.278 1.893 2.843 . 0 0 "[ . 1 . 2 . ]" 1
616 1 49 ASP QB 1 54 LYS QD 5.000 . 5.000 3.021 1.898 4.035 . 0 0 "[ . 1 . 2 . ]" 1
617 1 49 ASP QB 1 54 LYS QE 4.000 . 4.000 2.404 1.897 3.628 . 0 0 "[ . 1 . 2 . ]" 1
618 1 49 ASP QB 1 55 LYS H 6.000 . 6.000 5.149 4.388 5.853 . 0 0 "[ . 1 . 2 . ]" 1
619 1 50 GLN H 1 50 GLN QG 5.000 . 5.000 3.590 2.744 4.496 . 0 0 "[ . 1 . 2 . ]" 1
620 1 50 GLN H 1 51 CYS H 4.000 . 4.000 3.674 2.604 4.061 0.061 1 0 "[ . 1 . 2 . ]" 1
621 1 50 GLN H 1 51 CYS HA 6.000 . 6.000 5.173 4.870 5.476 . 0 0 "[ . 1 . 2 . ]" 1
622 1 50 GLN HA 1 51 CYS H 4.000 . 4.000 3.294 2.340 3.569 . 0 0 "[ . 1 . 2 . ]" 1
623 1 50 GLN QB 1 51 CYS H 5.000 . 5.000 2.509 1.907 4.005 . 0 0 "[ . 1 . 2 . ]" 1
624 1 50 GLN QG 1 51 CYS H 6.000 . 6.000 3.888 2.485 4.596 . 0 0 "[ . 1 . 2 . ]" 1
625 1 50 GLN H 1 52 ARG H 5.000 . 5.000 4.531 3.960 4.903 . 0 0 "[ . 1 . 2 . ]" 1
626 1 50 GLN HA 1 52 ARG H 5.500 . 5.500 4.874 4.134 5.296 . 0 0 "[ . 1 . 2 . ]" 1
627 1 50 GLN QB 1 52 ARG H 6.000 . 6.000 3.694 3.459 4.555 . 0 0 "[ . 1 . 2 . ]" 1
628 1 50 GLN H 1 54 LYS QE 6.000 . 6.000 5.805 4.857 7.000 1.000 16 6 "[ . *1 * .+* 2 * -]" 1
629 1 51 CYS H 1 52 ARG H 4.000 . 4.000 2.224 1.904 2.919 . 0 0 "[ . 1 . 2 . ]" 1
630 1 51 CYS H 1 52 ARG QB 6.000 . 6.000 3.845 3.291 5.113 . 0 0 "[ . 1 . 2 . ]" 1
631 1 51 CYS HA 1 52 ARG H 5.000 . 5.000 2.945 2.794 3.105 . 0 0 "[ . 1 . 2 . ]" 1
632 1 51 CYS QB 1 52 ARG H 6.000 . 6.000 3.811 3.686 3.999 . 0 0 "[ . 1 . 2 . ]" 1
633 1 51 CYS QB 1 52 ARG QG 6.000 . 6.000 4.056 2.861 5.641 . 0 0 "[ . 1 . 2 . ]" 1
634 1 52 ARG H 1 52 ARG QG 5.000 . 5.000 3.797 2.950 4.402 . 0 0 "[ . 1 . 2 . ]" 1
635 1 52 ARG H 1 52 ARG QD 5.000 . 5.000 4.649 4.046 5.016 0.016 20 0 "[ . 1 . 2 . ]" 1
636 1 52 ARG H 1 53 PHE H 5.000 . 5.000 4.367 4.246 4.427 . 0 0 "[ . 1 . 2 . ]" 1
637 1 52 ARG HA 1 53 PHE H 3.000 . 3.000 2.386 2.166 2.576 . 0 0 "[ . 1 . 2 . ]" 1
638 1 52 ARG HA 1 53 PHE QB 6.000 . 6.000 4.489 4.326 4.591 . 0 0 "[ . 1 . 2 . ]" 1
639 1 52 ARG HA 1 53 PHE QD 5.000 . 5.000 4.777 4.672 4.883 . 0 0 "[ . 1 . 2 . ]" 1
640 1 52 ARG HA 1 53 PHE QE 6.000 . 6.000 5.765 5.588 6.008 0.008 28 0 "[ . 1 . 2 . ]" 1
641 1 52 ARG QB 1 53 PHE H 4.000 . 4.000 2.759 2.118 3.362 . 0 0 "[ . 1 . 2 . ]" 1
642 1 52 ARG QB 1 53 PHE QB 6.000 . 6.000 4.346 3.902 4.813 . 0 0 "[ . 1 . 2 . ]" 1
643 1 52 ARG QG 1 53 PHE H 5.000 . 5.000 3.286 1.965 4.533 . 0 0 "[ . 1 . 2 . ]" 1
644 1 52 ARG QD 1 53 PHE H 5.000 . 5.000 3.625 2.407 5.002 0.002 20 0 "[ . 1 . 2 . ]" 1
645 1 52 ARG HE 1 53 PHE H 5.000 . 5.000 4.395 3.440 5.002 0.002 11 0 "[ . 1 . 2 . ]" 1
646 1 52 ARG H 1 54 LYS QG 6.000 . 6.000 6.123 5.693 6.601 0.601 18 3 "[ . 1 . + 2 - .* ]" 1
647 1 53 PHE H 1 53 PHE QD 5.000 . 5.000 3.429 3.146 3.666 . 0 0 "[ . 1 . 2 . ]" 1
648 1 53 PHE H 1 53 PHE QE 6.000 . 6.000 4.941 4.751 5.263 . 0 0 "[ . 1 . 2 . ]" 1
649 1 53 PHE H 1 54 LYS H 5.000 . 5.000 4.594 4.526 4.624 . 0 0 "[ . 1 . 2 . ]" 1
650 1 53 PHE HA 1 54 LYS H 3.000 . 3.000 2.210 2.155 2.279 . 0 0 "[ . 1 . 2 . ]" 1
651 1 53 PHE HA 1 54 LYS HA 5.000 . 5.000 4.315 4.306 4.326 . 0 0 "[ . 1 . 2 . ]" 1
652 1 53 PHE HA 1 54 LYS QB 6.000 . 6.000 4.264 4.104 4.598 . 0 0 "[ . 1 . 2 . ]" 1
653 1 53 PHE HA 1 54 LYS QG 6.000 . 6.000 4.397 3.673 4.903 . 0 0 "[ . 1 . 2 . ]" 1
654 1 53 PHE QB 1 54 LYS H 4.000 . 4.000 2.905 2.661 3.079 . 0 0 "[ . 1 . 2 . ]" 1
655 1 53 PHE QD 1 54 LYS H 4.000 . 4.000 3.343 3.277 3.410 . 0 0 "[ . 1 . 2 . ]" 1
656 1 53 PHE QD 1 54 LYS QG 6.000 . 6.000 5.447 4.471 6.022 0.022 18 0 "[ . 1 . 2 . ]" 1
657 1 53 PHE QE 1 54 LYS H 5.500 . 5.500 5.569 5.529 5.612 0.112 20 0 "[ . 1 . 2 . ]" 1
658 1 53 PHE HA 1 55 LYS H 6.000 . 6.000 5.432 5.081 5.805 . 0 0 "[ . 1 . 2 . ]" 1
659 1 53 PHE QB 1 56 ALA HA 6.000 . 6.000 6.037 6.011 6.055 0.055 26 0 "[ . 1 . 2 . ]" 1
660 1 53 PHE QB 1 56 ALA H 6.000 . 6.000 5.189 5.060 5.269 . 0 0 "[ . 1 . 2 . ]" 1
661 1 53 PHE QD 1 56 ALA H 6.000 . 6.000 6.994 6.799 7.031 1.031 16 29 [***************+****-********] 1
662 1 53 PHE QB 1 74 GLY H 6.000 . 6.000 3.537 3.275 3.687 . 0 0 "[ . 1 . 2 . ]" 1
663 1 53 PHE QD 1 74 GLY QA 5.000 . 5.000 3.791 3.594 4.047 . 0 0 "[ . 1 . 2 . ]" 1
664 1 53 PHE QD 1 74 GLY H 6.000 . 6.000 5.217 5.014 5.472 . 0 0 "[ . 1 . 2 . ]" 1
665 1 53 PHE QD 1 75 LYS H 6.000 . 6.000 4.039 3.730 4.358 . 0 0 "[ . 1 . 2 . ]" 1
666 1 53 PHE QD 1 75 LYS HA 4.000 . 4.000 2.863 2.561 3.230 . 0 0 "[ . 1 . 2 . ]" 1
667 1 53 PHE QD 1 75 LYS QB 5.000 . 5.000 4.691 4.336 4.964 . 0 0 "[ . 1 . 2 . ]" 1
668 1 53 PHE QD 1 75 LYS QG 5.000 . 5.000 4.753 4.450 5.021 0.021 14 0 "[ . 1 . 2 . ]" 1
669 1 53 PHE QD 1 75 LYS QD 6.000 . 6.000 6.009 5.998 6.017 0.017 20 0 "[ . 1 . 2 . ]" 1
670 1 53 PHE QE 1 75 LYS H 6.000 . 6.000 5.158 4.938 5.393 . 0 0 "[ . 1 . 2 . ]" 1
671 1 53 PHE QE 1 75 LYS HA 5.000 . 5.000 3.705 3.485 3.947 . 0 0 "[ . 1 . 2 . ]" 1
672 1 53 PHE QE 1 75 LYS QB 5.000 . 5.000 4.867 4.663 5.012 0.012 7 0 "[ . 1 . 2 . ]" 1
673 1 53 PHE QE 1 75 LYS QG 6.000 . 6.000 5.656 5.067 6.002 0.002 22 0 "[ . 1 . 2 . ]" 1
674 1 53 PHE H 1 76 SER H 6.000 . 6.000 6.237 5.993 6.996 0.996 8 3 "[ . + 1 .* 2- . ]" 1
675 1 53 PHE HA 1 76 SER H 6.000 . 6.000 5.339 4.942 6.001 0.001 8 0 "[ . 1 . 2 . ]" 1
676 1 53 PHE QB 1 76 SER H 6.000 . 6.000 3.228 2.956 3.796 . 0 0 "[ . 1 . 2 . ]" 1
677 1 53 PHE QD 1 76 SER H 5.000 . 5.000 3.268 2.858 4.189 . 0 0 "[ . 1 . 2 . ]" 1
678 1 53 PHE QD 1 76 SER HA 5.000 . 5.000 3.938 3.701 4.230 . 0 0 "[ . 1 . 2 . ]" 1
679 1 53 PHE QD 1 76 SER QB 6.000 . 6.000 4.964 4.819 5.165 . 0 0 "[ . 1 . 2 . ]" 1
680 1 53 PHE QE 1 76 SER H 5.000 . 5.000 3.847 3.525 4.648 . 0 0 "[ . 1 . 2 . ]" 1
681 1 53 PHE QE 1 76 SER HA 4.000 . 4.000 2.829 2.402 3.273 . 0 0 "[ . 1 . 2 . ]" 1
682 1 53 PHE QE 1 76 SER QB 5.000 . 5.000 4.334 3.986 4.719 . 0 0 "[ . 1 . 2 . ]" 1
683 1 53 PHE HA 1 77 SER HA 5.000 . 5.000 4.492 4.352 4.618 . 0 0 "[ . 1 . 2 . ]" 1
684 1 53 PHE QD 1 77 SER H 5.000 . 5.000 4.544 4.245 4.782 . 0 0 "[ . 1 . 2 . ]" 1
685 1 53 PHE QD 1 77 SER HA 4.000 . 4.000 2.833 2.557 2.988 . 0 0 "[ . 1 . 2 . ]" 1
686 1 53 PHE QD 1 77 SER QB 5.000 . 5.000 3.741 3.470 4.124 . 0 0 "[ . 1 . 2 . ]" 1
687 1 53 PHE QE 1 77 SER H 4.000 . 4.000 3.116 2.740 3.498 . 0 0 "[ . 1 . 2 . ]" 1
688 1 53 PHE QE 1 77 SER HA 4.000 . 4.000 2.505 2.268 2.885 . 0 0 "[ . 1 . 2 . ]" 1
689 1 53 PHE QE 1 77 SER QB 5.000 . 5.000 2.039 1.890 2.724 . 0 0 "[ . 1 . 2 . ]" 1
690 1 53 PHE QB 1 78 ASP H 6.000 . 6.000 6.041 6.007 6.075 0.075 8 0 "[ . 1 . 2 . ]" 1
691 1 53 PHE QD 1 78 ASP H 6.000 . 6.000 5.295 4.997 5.456 . 0 0 "[ . 1 . 2 . ]" 1
692 1 53 PHE QE 1 78 ASP H 5.000 . 5.000 4.789 4.603 5.011 0.011 2 0 "[ . 1 . 2 . ]" 1
693 1 54 LYS H 1 54 LYS QG 5.000 . 5.000 2.871 2.135 3.371 . 0 0 "[ . 1 . 2 . ]" 1
694 1 54 LYS H 1 54 LYS QD 5.000 . 5.000 3.745 3.253 4.138 . 0 0 "[ . 1 . 2 . ]" 1
695 1 54 LYS H 1 55 LYS H 5.000 . 5.000 4.308 4.097 4.494 . 0 0 "[ . 1 . 2 . ]" 1
696 1 54 LYS HA 1 55 LYS H 2.200 . 2.200 2.178 2.143 2.234 0.034 21 0 "[ . 1 . 2 . ]" 1
697 1 54 LYS HA 1 55 LYS QB 5.000 . 5.000 4.075 4.028 4.422 . 0 0 "[ . 1 . 2 . ]" 1
698 1 54 LYS QB 1 55 LYS H 4.000 . 4.000 3.657 3.451 3.842 . 0 0 "[ . 1 . 2 . ]" 1
699 1 54 LYS QG 1 55 LYS H 5.000 . 5.000 4.181 3.665 4.737 . 0 0 "[ . 1 . 2 . ]" 1
700 1 54 LYS QD 1 55 LYS H 6.000 . 6.000 5.031 3.423 5.731 . 0 0 "[ . 1 . 2 . ]" 1
701 1 54 LYS QE 1 55 LYS H 6.000 . 6.000 5.940 5.323 6.021 0.021 13 0 "[ . 1 . 2 . ]" 1
702 1 54 LYS H 1 58 THR HB 6.000 . 6.000 5.292 5.147 5.441 . 0 0 "[ . 1 . 2 . ]" 1
703 1 54 LYS H 1 58 THR MG 5.000 . 5.000 5.045 5.013 5.066 0.066 19 0 "[ . 1 . 2 . ]" 1
704 1 54 LYS QB 1 58 THR MG 5.000 . 5.000 2.217 1.956 2.390 . 0 0 "[ . 1 . 2 . ]" 1
705 1 54 LYS QB 1 58 THR H 6.000 . 6.000 3.991 3.870 4.318 . 0 0 "[ . 1 . 2 . ]" 1
706 1 54 LYS QB 1 58 THR HB 5.000 . 5.000 2.009 1.923 2.227 . 0 0 "[ . 1 . 2 . ]" 1
707 1 54 LYS QG 1 58 THR H 6.000 . 6.000 5.639 5.159 6.036 0.036 27 0 "[ . 1 . 2 . ]" 1
708 1 54 LYS QG 1 58 THR HB 6.000 . 6.000 3.577 3.135 4.032 . 0 0 "[ . 1 . 2 . ]" 1
709 1 54 LYS QG 1 58 THR MG 5.000 . 5.000 2.341 1.847 3.337 . 0 0 "[ . 1 . 2 . ]" 1
710 1 54 LYS QD 1 58 THR H 6.000 . 6.000 5.599 4.997 5.989 . 0 0 "[ . 1 . 2 . ]" 1
711 1 54 LYS QD 1 58 THR HB 5.000 . 5.000 3.464 2.844 3.846 . 0 0 "[ . 1 . 2 . ]" 1
712 1 54 LYS QD 1 58 THR MG 4.000 . 4.000 1.999 1.825 2.238 . 0 0 "[ . 1 . 2 . ]" 1
713 1 54 LYS QE 1 58 THR MG 4.000 . 4.000 2.795 1.849 3.738 . 0 0 "[ . 1 . 2 . ]" 1
714 1 54 LYS QZ 1 58 THR MG 5.000 . 5.000 2.755 1.709 4.011 . 0 0 "[ . 1 . 2 . ]" 1
715 1 54 LYS HA 1 72 CYS QB 5.000 . 5.000 4.650 4.428 4.786 . 0 0 "[ . 1 . 2 . ]" 1
716 1 54 LYS QB 1 72 CYS H 6.000 . 6.000 4.492 4.352 4.700 . 0 0 "[ . 1 . 2 . ]" 1
717 1 54 LYS QB 1 72 CYS QB 5.000 . 5.000 2.529 2.323 2.877 . 0 0 "[ . 1 . 2 . ]" 1
718 1 54 LYS H 1 77 SER HA 5.000 . 5.000 4.967 4.777 5.031 0.031 12 0 "[ . 1 . 2 . ]" 1
719 1 55 LYS H 1 55 LYS QG 5.000 . 5.000 3.969 2.541 4.126 . 0 0 "[ . 1 . 2 . ]" 1
720 1 55 LYS H 1 55 LYS QD 5.000 . 5.000 4.269 3.811 4.665 . 0 0 "[ . 1 . 2 . ]" 1
721 1 55 LYS H 1 55 LYS QE 6.000 . 6.000 5.357 4.082 5.996 . 0 0 "[ . 1 . 2 . ]" 1
722 1 55 LYS H 1 56 ALA H 4.500 . 4.500 4.517 4.488 4.545 0.045 19 0 "[ . 1 . 2 . ]" 1
723 1 55 LYS H 1 56 ALA MB 6.000 . 6.000 5.934 5.919 5.947 . 0 0 "[ . 1 . 2 . ]" 1
724 1 55 LYS HA 1 56 ALA H 2.200 . 2.200 2.150 2.141 2.164 . 0 0 "[ . 1 . 2 . ]" 1
725 1 55 LYS HA 1 56 ALA MB 4.000 . 4.000 4.016 4.004 4.024 0.024 19 0 "[ . 1 . 2 . ]" 1
726 1 55 LYS QB 1 56 ALA H 4.000 . 4.000 3.722 2.928 3.795 . 0 0 "[ . 1 . 2 . ]" 1
727 1 55 LYS QG 1 56 ALA H 4.000 . 4.000 2.763 2.506 4.050 0.050 19 0 "[ . 1 . 2 . ]" 1
728 1 55 LYS QE 1 56 ALA H 5.000 . 5.000 4.276 2.496 5.014 0.014 19 0 "[ . 1 . 2 . ]" 1
729 1 55 LYS QE 1 56 ALA MB 6.000 . 6.000 4.375 2.991 5.608 . 0 0 "[ . 1 . 2 . ]" 1
730 1 55 LYS H 1 58 THR HB 5.000 . 5.000 4.973 4.763 5.015 0.015 23 0 "[ . 1 . 2 . ]" 1
731 1 55 LYS H 1 58 THR MG 5.000 . 5.000 4.971 4.751 5.012 0.012 2 0 "[ . 1 . 2 . ]" 1
732 1 55 LYS HA 1 58 THR H 6.000 . 6.000 5.504 5.463 5.518 . 0 0 "[ . 1 . 2 . ]" 1
733 1 55 LYS QB 1 58 THR H 5.000 . 5.000 4.740 4.662 5.065 0.065 19 0 "[ . 1 . 2 . ]" 1
734 1 55 LYS QB 1 58 THR HB 6.000 . 6.000 5.057 4.873 5.555 . 0 0 "[ . 1 . 2 . ]" 1
735 1 55 LYS QB 1 58 THR MG 6.000 . 6.000 5.035 4.877 5.650 . 0 0 "[ . 1 . 2 . ]" 1
736 1 55 LYS QG 1 58 THR H 5.000 . 5.000 4.927 3.655 5.000 0.000 3 0 "[ . 1 . 2 . ]" 1
737 1 55 LYS HA 1 74 GLY H 5.000 . 5.000 4.377 4.064 4.838 . 0 0 "[ . 1 . 2 . ]" 1
738 1 55 LYS HA 1 74 GLY QA 4.000 . 4.000 2.831 2.351 3.117 . 0 0 "[ . 1 . 2 . ]" 1
739 1 56 ALA H 1 57 GLY H 4.500 . 4.500 4.532 4.509 4.585 0.085 19 0 "[ . 1 . 2 . ]" 1
740 1 56 ALA H 1 57 GLY QA 6.000 . 6.000 5.272 5.241 5.297 . 0 0 "[ . 1 . 2 . ]" 1
741 1 56 ALA HA 1 57 GLY H 2.500 . 2.500 2.150 2.138 2.209 . 0 0 "[ . 1 . 2 . ]" 1
742 1 56 ALA HA 1 57 GLY QA 4.000 . 4.000 3.929 3.918 3.965 . 0 0 "[ . 1 . 2 . ]" 1
743 1 56 ALA MB 1 57 GLY H 4.000 . 4.000 3.029 2.781 3.123 . 0 0 "[ . 1 . 2 . ]" 1
744 1 56 ALA MB 1 57 GLY QA 5.000 . 5.000 3.624 3.542 3.664 . 0 0 "[ . 1 . 2 . ]" 1
745 1 56 ALA H 1 58 THR H 5.000 . 5.000 4.884 4.770 4.926 . 0 0 "[ . 1 . 2 . ]" 1
746 1 56 ALA HA 1 58 THR H 4.000 . 4.000 3.268 3.145 3.330 . 0 0 "[ . 1 . 2 . ]" 1
747 1 56 ALA MB 1 58 THR H 5.000 . 5.000 4.417 4.249 4.489 . 0 0 "[ . 1 . 2 . ]" 1
748 1 56 ALA MB 1 71 TYR QB 6.000 . 6.000 4.536 4.387 4.687 . 0 0 "[ . 1 . 2 . ]" 1
749 1 56 ALA MB 1 71 TYR QD 6.000 . 6.000 5.695 5.642 5.742 . 0 0 "[ . 1 . 2 . ]" 1
750 1 56 ALA MB 1 71 TYR QE 6.000 . 6.000 7.109 7.078 7.143 1.143 5 29 [****+**********-*************] 1
751 1 56 ALA HA 1 72 CYS QB 5.000 . 5.000 2.673 2.255 3.255 . 0 0 "[ . 1 . 2 . ]" 1
752 1 56 ALA MB 1 72 CYS H 6.000 . 6.000 5.260 5.059 5.541 . 0 0 "[ . 1 . 2 . ]" 1
753 1 56 ALA MB 1 72 CYS QB 6.000 . 6.000 4.110 3.633 4.446 . 0 0 "[ . 1 . 2 . ]" 1
754 1 56 ALA H 1 73 THR MG 6.000 . 6.000 6.003 5.772 6.032 0.032 26 0 "[ . 1 . 2 . ]" 1
755 1 56 ALA HA 1 73 THR H 5.000 . 5.000 3.741 3.528 3.897 . 0 0 "[ . 1 . 2 . ]" 1
756 1 56 ALA HA 1 73 THR HA 4.000 . 4.000 2.777 2.365 3.048 . 0 0 "[ . 1 . 2 . ]" 1
757 1 56 ALA HA 1 73 THR MG 5.000 . 5.000 4.377 4.159 4.433 . 0 0 "[ . 1 . 2 . ]" 1
758 1 56 ALA MB 1 73 THR H 5.000 . 5.000 4.114 3.881 4.315 . 0 0 "[ . 1 . 2 . ]" 1
759 1 56 ALA H 1 74 GLY H 5.000 . 5.000 3.556 3.347 4.060 . 0 0 "[ . 1 . 2 . ]" 1
760 1 56 ALA H 1 74 GLY QA 4.000 . 4.000 2.477 2.165 2.692 . 0 0 "[ . 1 . 2 . ]" 1
761 1 56 ALA HA 1 74 GLY H 5.000 . 5.000 3.194 2.903 3.722 . 0 0 "[ . 1 . 2 . ]" 1
762 1 56 ALA HA 1 74 GLY QA 5.000 . 5.000 3.932 3.717 4.076 . 0 0 "[ . 1 . 2 . ]" 1
763 1 56 ALA MB 1 74 GLY H 5.000 . 5.000 3.504 3.280 3.841 . 0 0 "[ . 1 . 2 . ]" 1
764 1 56 ALA MB 1 74 GLY QA 4.000 . 4.000 3.289 3.127 3.519 . 0 0 "[ . 1 . 2 . ]" 1
765 1 56 ALA H 1 75 LYS H 6.000 . 6.000 5.462 5.176 5.647 . 0 0 "[ . 1 . 2 . ]" 1
766 1 56 ALA MB 1 75 LYS H 6.000 . 6.000 4.829 4.697 4.974 . 0 0 "[ . 1 . 2 . ]" 1
767 1 56 ALA MB 1 75 LYS QE 6.000 . 6.000 5.094 4.208 5.982 . 0 0 "[ . 1 . 2 . ]" 1
768 1 56 ALA H 1 76 SER H 6.000 . 6.000 6.943 6.731 7.024 1.024 21 29 [***-****************+********] 1
769 1 56 ALA MB 1 76 SER H 6.000 . 6.000 6.374 6.143 6.497 0.497 28 0 "[ . 1 . 2 . ]" 1
770 1 57 GLY H 1 58 THR H 4.000 . 4.000 2.251 2.170 2.467 . 0 0 "[ . 1 . 2 . ]" 1
771 1 57 GLY QA 1 58 THR H 4.000 . 4.000 2.899 2.884 2.919 . 0 0 "[ . 1 . 2 . ]" 1
772 1 57 GLY QA 1 58 THR MG 6.000 . 6.000 5.315 5.286 5.335 . 0 0 "[ . 1 . 2 . ]" 1
773 1 57 GLY QA 1 59 VAL H 6.000 . 6.000 4.817 4.708 5.030 . 0 0 "[ . 1 . 2 . ]" 1
774 1 57 GLY QA 1 59 VAL QG 6.000 . 6.000 5.375 5.342 5.428 . 0 0 "[ . 1 . 2 . ]" 1
775 1 57 GLY H 1 71 TYR HA 5.000 . 5.000 4.395 4.290 4.649 . 0 0 "[ . 1 . 2 . ]" 1
776 1 57 GLY H 1 71 TYR QB 5.000 . 5.000 2.704 2.557 2.858 . 0 0 "[ . 1 . 2 . ]" 1
777 1 57 GLY H 1 71 TYR QD 5.000 . 5.000 3.517 3.398 3.683 . 0 0 "[ . 1 . 2 . ]" 1
778 1 57 GLY QA 1 71 TYR HA 6.000 . 6.000 4.657 4.581 4.918 . 0 0 "[ . 1 . 2 . ]" 1
779 1 57 GLY QA 1 71 TYR QB 4.000 . 4.000 2.805 2.709 3.046 . 0 0 "[ . 1 . 2 . ]" 1
780 1 57 GLY QA 1 71 TYR QD 4.000 . 4.000 2.800 2.661 2.913 . 0 0 "[ . 1 . 2 . ]" 1
781 1 57 GLY QA 1 71 TYR QE 5.000 . 5.000 3.860 3.744 3.995 . 0 0 "[ . 1 . 2 . ]" 1
782 1 57 GLY H 1 72 CYS H 5.000 . 5.000 3.116 2.898 3.348 . 0 0 "[ . 1 . 2 . ]" 1
783 1 57 GLY H 1 72 CYS HA 6.000 . 6.000 4.646 4.457 4.781 . 0 0 "[ . 1 . 2 . ]" 1
784 1 57 GLY H 1 72 CYS QB 5.000 . 5.000 3.121 2.870 3.419 . 0 0 "[ . 1 . 2 . ]" 1
785 1 57 GLY QA 1 72 CYS H 5.000 . 5.000 4.331 4.153 4.505 . 0 0 "[ . 1 . 2 . ]" 1
786 1 57 GLY H 1 73 THR H 6.000 . 6.000 4.988 4.815 5.116 . 0 0 "[ . 1 . 2 . ]" 1
787 1 57 GLY H 1 73 THR MG 6.000 . 6.000 4.860 4.752 4.921 . 0 0 "[ . 1 . 2 . ]" 1
788 1 57 GLY H 1 79 CYS HA 6.000 . 6.000 7.060 7.027 7.077 1.077 17 29 [****************+***-********] 1
789 1 58 THR H 1 59 VAL H 5.000 . 5.000 4.361 4.313 4.451 . 0 0 "[ . 1 . 2 . ]" 1
790 1 58 THR H 1 59 VAL QG 6.000 . 6.000 5.492 5.463 5.532 . 0 0 "[ . 1 . 2 . ]" 1
791 1 58 THR HA 1 59 VAL H 2.200 . 2.200 2.181 2.163 2.200 . 0 0 "[ . 1 . 2 . ]" 1
792 1 58 THR HA 1 59 VAL HB 5.000 . 5.000 4.687 4.620 4.743 . 0 0 "[ . 1 . 2 . ]" 1
793 1 58 THR HA 1 59 VAL QG 5.000 . 5.000 3.695 3.626 3.834 . 0 0 "[ . 1 . 2 . ]" 1
794 1 58 THR HB 1 59 VAL H 5.000 . 5.000 4.399 4.303 4.480 . 0 0 "[ . 1 . 2 . ]" 1
795 1 58 THR HB 1 59 VAL QG 6.000 . 6.000 5.223 5.124 5.355 . 0 0 "[ . 1 . 2 . ]" 1
796 1 58 THR MG 1 59 VAL H 4.000 . 4.000 2.978 2.708 3.269 . 0 0 "[ . 1 . 2 . ]" 1
797 1 58 THR MG 1 59 VAL HA 5.000 . 5.000 4.255 4.144 4.486 . 0 0 "[ . 1 . 2 . ]" 1
798 1 58 THR MG 1 59 VAL QG 5.000 . 5.000 3.357 3.277 3.501 . 0 0 "[ . 1 . 2 . ]" 1
799 1 58 THR MG 1 60 CYS H 6.000 . 6.000 4.507 4.208 4.643 . 0 0 "[ . 1 . 2 . ]" 1
800 1 58 THR MG 1 60 CYS HA 5.000 . 5.000 4.065 3.747 4.212 . 0 0 "[ . 1 . 2 . ]" 1
801 1 58 THR MG 1 60 CYS QB 6.000 . 6.000 4.450 3.683 4.680 . 0 0 "[ . 1 . 2 . ]" 1
802 1 58 THR H 1 71 TYR HA 5.000 . 5.000 4.576 4.472 4.732 . 0 0 "[ . 1 . 2 . ]" 1
803 1 58 THR H 1 71 TYR QB 5.000 . 5.000 3.965 3.821 4.139 . 0 0 "[ . 1 . 2 . ]" 1
804 1 58 THR H 1 71 TYR QE 6.000 . 6.000 5.017 4.882 5.188 . 0 0 "[ . 1 . 2 . ]" 1
805 1 58 THR HA 1 71 TYR QD 5.000 . 5.000 3.453 3.366 3.542 . 0 0 "[ . 1 . 2 . ]" 1
806 1 58 THR HA 1 71 TYR QE 5.000 . 5.000 3.766 3.658 3.893 . 0 0 "[ . 1 . 2 . ]" 1
807 1 58 THR HB 1 71 TYR HA 6.000 . 6.000 5.026 4.876 5.197 . 0 0 "[ . 1 . 2 . ]" 1
808 1 58 THR HB 1 71 TYR QB 6.000 . 6.000 5.426 5.274 5.612 . 0 0 "[ . 1 . 2 . ]" 1
809 1 58 THR HB 1 71 TYR QD 6.000 . 6.000 4.613 4.509 4.706 . 0 0 "[ . 1 . 2 . ]" 1
810 1 58 THR MG 1 71 TYR HA 6.000 . 6.000 5.028 4.914 5.224 . 0 0 "[ . 1 . 2 . ]" 1
811 1 58 THR MG 1 71 TYR QD 5.000 . 5.000 4.590 4.505 4.699 . 0 0 "[ . 1 . 2 . ]" 1
812 1 58 THR MG 1 71 TYR QE 5.000 . 5.000 5.086 5.042 5.133 0.133 19 0 "[ . 1 . 2 . ]" 1
813 1 58 THR H 1 72 CYS H 4.000 . 4.000 3.105 3.016 3.239 . 0 0 "[ . 1 . 2 . ]" 1
814 1 58 THR H 1 72 CYS HA 6.000 . 6.000 5.159 4.968 5.260 . 0 0 "[ . 1 . 2 . ]" 1
815 1 58 THR H 1 72 CYS QB 5.000 . 5.000 2.671 2.277 2.847 . 0 0 "[ . 1 . 2 . ]" 1
816 1 58 THR HA 1 72 CYS H 5.000 . 5.000 4.581 4.467 4.640 . 0 0 "[ . 1 . 2 . ]" 1
817 1 58 THR HB 1 72 CYS H 4.000 . 4.000 3.404 3.302 3.507 . 0 0 "[ . 1 . 2 . ]" 1
818 1 58 THR HB 1 72 CYS HA 5.000 . 5.000 4.981 4.776 5.052 0.052 23 0 "[ . 1 . 2 . ]" 1
819 1 58 THR HB 1 72 CYS QB 4.000 . 4.000 2.283 1.976 2.405 . 0 0 "[ . 1 . 2 . ]" 1
820 1 58 THR MG 1 72 CYS H 5.000 . 5.000 4.274 4.102 4.468 . 0 0 "[ . 1 . 2 . ]" 1
821 1 58 THR MG 1 72 CYS QB 5.000 . 5.000 3.412 3.229 3.602 . 0 0 "[ . 1 . 2 . ]" 1
822 1 58 THR H 1 73 THR H 6.000 . 6.000 5.837 5.669 5.970 . 0 0 "[ . 1 . 2 . ]" 1
823 1 58 THR HB 1 73 THR H 6.000 . 6.000 5.968 5.664 6.091 0.091 5 0 "[ . 1 . 2 . ]" 1
824 1 59 VAL H 1 60 CYS H 5.000 . 5.000 4.470 4.357 4.519 . 0 0 "[ . 1 . 2 . ]" 1
825 1 59 VAL H 1 60 CYS HA 6.000 . 6.000 5.392 5.269 5.488 . 0 0 "[ . 1 . 2 . ]" 1
826 1 59 VAL HA 1 60 CYS H 3.000 . 3.000 2.145 2.102 2.158 . 0 0 "[ . 1 . 2 . ]" 1
827 1 59 VAL HA 1 60 CYS HA 5.000 . 5.000 4.392 4.380 4.399 . 0 0 "[ . 1 . 2 . ]" 1
828 1 59 VAL HA 1 60 CYS QB 5.000 . 5.000 4.564 3.953 4.761 . 0 0 "[ . 1 . 2 . ]" 1
829 1 59 VAL HB 1 60 CYS H 4.500 . 4.500 4.316 4.223 4.393 . 0 0 "[ . 1 . 2 . ]" 1
830 1 59 VAL QG 1 60 CYS H 5.000 . 5.000 2.691 2.470 2.889 . 0 0 "[ . 1 . 2 . ]" 1
831 1 59 VAL QG 1 60 CYS HA 5.000 . 5.000 3.547 3.429 3.724 . 0 0 "[ . 1 . 2 . ]" 1
832 1 59 VAL QG 1 60 CYS QB 5.000 . 5.000 4.247 3.997 4.362 . 0 0 "[ . 1 . 2 . ]" 1
833 1 59 VAL H 1 61 ARG H 6.000 . 6.000 5.986 5.912 6.080 0.080 21 0 "[ . 1 . 2 . ]" 1
834 1 59 VAL HA 1 61 ARG H 4.000 . 4.000 3.560 3.513 3.679 . 0 0 "[ . 1 . 2 . ]" 1
835 1 59 VAL HB 1 61 ARG H 6.000 . 6.000 5.060 4.938 5.275 . 0 0 "[ . 1 . 2 . ]" 1
836 1 59 VAL QG 1 61 ARG H 5.000 . 5.000 2.462 2.229 2.741 . 0 0 "[ . 1 . 2 . ]" 1
837 1 59 VAL QG 1 61 ARG HA 6.000 . 6.000 3.788 3.505 3.972 . 0 0 "[ . 1 . 2 . ]" 1
838 1 59 VAL HB 1 62 ILE MG 6.000 . 6.000 5.965 5.097 6.040 0.040 7 0 "[ . 1 . 2 . ]" 1
839 1 59 VAL QG 1 62 ILE H 6.000 . 6.000 4.698 4.536 4.909 . 0 0 "[ . 1 . 2 . ]" 1
840 1 59 VAL QG 1 62 ILE HA 6.000 . 6.000 4.348 4.178 4.453 . 0 0 "[ . 1 . 2 . ]" 1
841 1 59 VAL QG 1 62 ILE QG 5.000 . 5.000 4.190 2.917 4.553 . 0 0 "[ . 1 . 2 . ]" 1
842 1 59 VAL QG 1 62 ILE MD 6.000 . 6.000 4.050 3.685 4.918 . 0 0 "[ . 1 . 2 . ]" 1
843 1 59 VAL QG 1 63 ALA H 6.000 . 6.000 5.964 5.742 6.056 0.056 16 0 "[ . 1 . 2 . ]" 1
844 1 59 VAL H 1 69 ASP QB 6.000 . 6.000 6.211 5.747 7.006 1.006 19 1 "[ . 1 . +2 . ]" 1
845 1 59 VAL HA 1 69 ASP QB 6.000 . 6.000 4.629 4.302 5.361 . 0 0 "[ . 1 . 2 . ]" 1
846 1 59 VAL QG 1 69 ASP H 6.000 . 6.000 5.790 5.382 6.001 0.001 7 0 "[ . 1 . 2 . ]" 1
847 1 59 VAL QG 1 69 ASP HA 5.000 . 5.000 4.022 3.688 4.232 . 0 0 "[ . 1 . 2 . ]" 1
848 1 59 VAL QG 1 69 ASP QB 4.000 . 4.000 2.942 2.261 3.852 . 0 0 "[ . 1 . 2 . ]" 1
849 1 59 VAL QG 1 70 ASP H 5.000 . 5.000 2.851 2.487 3.192 . 0 0 "[ . 1 . 2 . ]" 1
850 1 59 VAL QG 1 70 ASP HA 6.000 . 6.000 4.556 4.428 4.687 . 0 0 "[ . 1 . 2 . ]" 1
851 1 59 VAL QG 1 70 ASP QB 6.000 . 6.000 3.104 2.853 3.358 . 0 0 "[ . 1 . 2 . ]" 1
852 1 59 VAL H 1 71 TYR HA 5.000 . 5.000 4.380 4.333 4.414 . 0 0 "[ . 1 . 2 . ]" 1
853 1 59 VAL H 1 71 TYR QB 6.000 . 6.000 5.156 5.050 5.228 . 0 0 "[ . 1 . 2 . ]" 1
854 1 59 VAL H 1 71 TYR QD 4.000 . 4.000 2.975 2.847 3.084 . 0 0 "[ . 1 . 2 . ]" 1
855 1 59 VAL H 1 71 TYR QE 5.000 . 5.000 2.551 2.362 2.855 . 0 0 "[ . 1 . 2 . ]" 1
856 1 59 VAL HA 1 71 TYR HA 4.000 . 4.000 2.292 2.230 2.335 . 0 0 "[ . 1 . 2 . ]" 1
857 1 59 VAL HA 1 71 TYR QB 4.000 . 4.000 4.040 3.969 4.058 0.058 29 0 "[ . 1 . 2 . ]" 1
858 1 59 VAL HA 1 71 TYR QD 4.000 . 4.000 2.801 2.681 2.937 . 0 0 "[ . 1 . 2 . ]" 1
859 1 59 VAL HA 1 71 TYR QE 4.000 . 4.000 3.479 3.348 3.583 . 0 0 "[ . 1 . 2 . ]" 1
860 1 59 VAL HB 1 71 TYR HA 5.000 . 5.000 4.367 4.294 4.449 . 0 0 "[ . 1 . 2 . ]" 1
861 1 59 VAL HB 1 71 TYR QD 4.000 . 4.000 3.458 3.341 3.548 . 0 0 "[ . 1 . 2 . ]" 1
862 1 59 VAL HB 1 71 TYR QE 4.000 . 4.000 2.272 2.157 2.392 . 0 0 "[ . 1 . 2 . ]" 1
863 1 59 VAL QG 1 71 TYR HA 5.000 . 5.000 3.780 3.662 3.851 . 0 0 "[ . 1 . 2 . ]" 1
864 1 59 VAL QG 1 71 TYR QB 5.000 . 5.000 4.673 4.533 4.724 . 0 0 "[ . 1 . 2 . ]" 1
865 1 59 VAL QG 1 71 TYR QD 5.000 . 5.000 3.678 3.590 3.712 . 0 0 "[ . 1 . 2 . ]" 1
866 1 59 VAL QG 1 71 TYR QE 5.000 . 5.000 3.017 2.989 3.043 . 0 0 "[ . 1 . 2 . ]" 1
867 1 59 VAL H 1 72 CYS H 6.000 . 6.000 4.751 4.613 4.847 . 0 0 "[ . 1 . 2 . ]" 1
868 1 59 VAL HA 1 72 CYS H 4.000 . 4.000 3.719 3.567 3.800 . 0 0 "[ . 1 . 2 . ]" 1
869 1 59 VAL HA 1 72 CYS QB 5.000 . 5.000 5.025 4.964 5.060 0.060 8 0 "[ . 1 . 2 . ]" 1
870 1 59 VAL HB 1 72 CYS H 6.000 . 6.000 5.777 5.666 5.844 . 0 0 "[ . 1 . 2 . ]" 1
871 1 59 VAL QG 1 72 CYS H 5.000 . 5.000 4.972 4.850 5.025 0.025 21 0 "[ . 1 . 2 . ]" 1
872 1 60 CYS H 1 61 ARG H 4.000 . 4.000 2.055 1.894 2.283 . 0 0 "[ . 1 . 2 . ]" 1
873 1 60 CYS H 1 61 ARG HA 5.000 . 5.000 4.775 4.640 4.866 . 0 0 "[ . 1 . 2 . ]" 1
874 1 60 CYS H 1 61 ARG QB 6.000 . 6.000 4.366 4.028 5.247 . 0 0 "[ . 1 . 2 . ]" 1
875 1 60 CYS HA 1 61 ARG H 4.000 . 4.000 3.445 3.399 3.506 . 0 0 "[ . 1 . 2 . ]" 1
876 1 60 CYS HA 1 61 ARG HA 6.000 . 6.000 4.525 4.490 4.568 . 0 0 "[ . 1 . 2 . ]" 1
877 1 60 CYS HA 1 61 ARG QB 6.000 . 6.000 4.954 4.657 5.374 . 0 0 "[ . 1 . 2 . ]" 1
878 1 60 CYS QB 1 61 ARG H 5.000 . 5.000 3.034 2.896 3.425 . 0 0 "[ . 1 . 2 . ]" 1
879 1 60 CYS H 1 70 ASP H 5.500 . 5.500 4.738 4.536 5.163 . 0 0 "[ . 1 . 2 . ]" 1
880 1 60 CYS H 1 70 ASP QB 6.000 . 6.000 3.205 3.076 3.482 . 0 0 "[ . 1 . 2 . ]" 1
881 1 60 CYS H 1 71 TYR H 6.000 . 6.000 4.642 4.520 4.739 . 0 0 "[ . 1 . 2 . ]" 1
882 1 60 CYS H 1 71 TYR HA 4.000 . 4.000 2.932 2.726 2.983 . 0 0 "[ . 1 . 2 . ]" 1
883 1 60 CYS H 1 71 TYR QB 5.000 . 5.000 4.992 4.834 5.037 0.037 4 0 "[ . 1 . 2 . ]" 1
884 1 60 CYS H 1 71 TYR QD 5.000 . 5.000 4.500 4.369 4.624 . 0 0 "[ . 1 . 2 . ]" 1
885 1 60 CYS H 1 71 TYR QE 6.000 . 6.000 5.428 5.277 5.545 . 0 0 "[ . 1 . 2 . ]" 1
886 1 60 CYS QB 1 71 TYR HA 6.000 . 6.000 4.680 3.830 5.017 . 0 0 "[ . 1 . 2 . ]" 1
887 1 60 CYS H 1 72 CYS H 4.000 . 4.000 4.024 3.941 4.064 0.064 22 0 "[ . 1 . 2 . ]" 1
888 1 60 CYS HA 1 72 CYS H 6.000 . 6.000 6.032 5.898 6.062 0.062 15 0 "[ . 1 . 2 . ]" 1
889 1 60 CYS QB 1 72 CYS H 5.000 . 5.000 4.903 3.889 5.029 0.029 13 0 "[ . 1 . 2 . ]" 1
890 1 60 CYS HA 1 79 CYS QB 6.000 . 6.000 4.521 4.339 4.843 . 0 0 "[ . 1 . 2 . ]" 1
891 1 60 CYS QB 1 79 CYS H 6.000 . 6.000 4.419 4.197 4.773 . 0 0 "[ . 1 . 2 . ]" 1
892 1 60 CYS QB 1 79 CYS HA 5.000 . 5.000 4.405 3.941 5.008 0.008 21 0 "[ . 1 . 2 . ]" 1
893 1 60 CYS QB 1 79 CYS QB 5.000 . 5.000 1.950 1.710 2.546 . 0 0 "[ . 1 . 2 . ]" 1
894 1 61 ARG H 1 61 ARG QG 5.000 . 5.000 3.635 2.370 4.236 . 0 0 "[ . 1 . 2 . ]" 1
895 1 61 ARG H 1 62 ILE H 5.000 . 5.000 4.365 4.350 4.378 . 0 0 "[ . 1 . 2 . ]" 1
896 1 61 ARG HA 1 62 ILE H 3.500 . 3.500 2.599 2.581 2.628 . 0 0 "[ . 1 . 2 . ]" 1
897 1 61 ARG HA 1 62 ILE QG 6.000 . 6.000 5.637 3.349 5.842 . 0 0 "[ . 1 . 2 . ]" 1
898 1 61 ARG HA 1 62 ILE MG 6.000 . 6.000 3.400 3.133 4.698 . 0 0 "[ . 1 . 2 . ]" 1
899 1 61 ARG HA 1 62 ILE MD 6.000 . 6.000 5.569 2.095 5.979 . 0 0 "[ . 1 . 2 . ]" 1
900 1 61 ARG QB 1 62 ILE H 5.000 . 5.000 2.280 1.902 2.818 . 0 0 "[ . 1 . 2 . ]" 1
901 1 61 ARG QG 1 62 ILE H 4.000 . 4.000 2.911 1.794 4.048 0.048 8 0 "[ . 1 . 2 . ]" 1
902 1 61 ARG HE 1 62 ILE H 6.000 . 6.000 4.427 3.964 5.427 . 0 0 "[ . 1 . 2 . ]" 1
903 1 61 ARG QH 1 62 ILE H 6.000 . 6.000 5.199 4.626 5.971 . 0 0 "[ . 1 . 2 . ]" 1
904 1 61 ARG QB 1 63 ALA MB 6.000 . 6.000 5.737 5.556 5.972 . 0 0 "[ . 1 . 2 . ]" 1
905 1 61 ARG HE 1 63 ALA MB 6.000 . 6.000 6.310 5.435 7.014 1.014 10 11 "[* .* **+ . - *** * *]" 1
906 1 61 ARG QH 1 63 ALA MB 6.000 . 6.000 6.516 6.090 7.013 1.013 20 16 "[* *.* *** * ** + *-** * *]" 1
907 1 61 ARG H 1 69 ASP HA 6.000 . 6.000 5.910 5.469 6.046 0.046 7 0 "[ . 1 . 2 . ]" 1
908 1 61 ARG QB 1 69 ASP HA 6.000 . 6.000 5.731 5.390 6.415 0.415 21 0 "[ . 1 . 2 . ]" 1
909 1 61 ARG H 1 70 ASP H 5.000 . 5.000 3.783 3.565 3.989 . 0 0 "[ . 1 . 2 . ]" 1
910 1 61 ARG H 1 70 ASP QB 6.000 . 6.000 1.818 1.739 2.005 . 0 0 "[ . 1 . 2 . ]" 1
911 1 61 ARG QB 1 70 ASP HA 6.000 . 6.000 4.452 4.231 5.898 . 0 0 "[ . 1 . 2 . ]" 1
912 1 61 ARG QB 1 70 ASP QB 4.500 . 4.500 2.086 1.889 3.311 . 0 0 "[ . 1 . 2 . ]" 1
913 1 61 ARG QG 1 70 ASP HA 6.000 . 6.000 6.076 4.451 6.635 0.635 2 9 "[ + * 1** *. *- 2 .* * ]" 1
914 1 61 ARG QG 1 70 ASP QB 6.000 . 6.000 3.510 1.860 3.978 . 0 0 "[ . 1 . 2 . ]" 1
915 1 61 ARG HE 1 70 ASP QB 6.000 . 6.000 3.421 2.535 4.049 . 0 0 "[ . 1 . 2 . ]" 1
916 1 61 ARG QH 1 70 ASP H 6.000 . 6.000 6.334 5.794 6.589 0.589 8 7 "[* .- + 1 . 2 ** * *]" 1
917 1 61 ARG QH 1 70 ASP QB 5.000 . 5.000 3.841 3.460 4.179 . 0 0 "[ . 1 . 2 . ]" 1
918 1 61 ARG H 1 71 TYR HA 5.000 . 5.000 4.461 4.308 4.562 . 0 0 "[ . 1 . 2 . ]" 1
919 1 61 ARG H 1 72 CYS H 6.000 . 6.000 5.917 5.739 6.020 0.020 20 0 "[ . 1 . 2 . ]" 1
920 1 61 ARG HE 1 79 CYS QB 6.000 . 6.000 4.951 3.489 5.910 . 0 0 "[ . 1 . 2 . ]" 1
921 1 61 ARG QH 1 79 CYS H 6.000 . 6.000 3.524 2.979 3.894 . 0 0 "[ . 1 . 2 . ]" 1
922 1 61 ARG QH 1 79 CYS HA 6.000 . 6.000 4.844 4.489 5.134 . 0 0 "[ . 1 . 2 . ]" 1
923 1 61 ARG QH 1 79 CYS QB 5.000 . 5.000 3.484 2.797 4.407 . 0 0 "[ . 1 . 2 . ]" 1
924 1 61 ARG QH 1 80 PRO HA 6.000 . 6.000 3.054 2.512 3.630 . 0 0 "[ . 1 . 2 . ]" 1
925 1 61 ARG QH 1 80 PRO QB 6.000 . 6.000 4.525 4.104 5.031 . 0 0 "[ . 1 . 2 . ]" 1
926 1 61 ARG QB 1 81 TRP HE3 6.000 . 6.000 3.237 2.325 4.457 . 0 0 "[ . 1 . 2 . ]" 1
927 1 61 ARG QB 1 81 TRP HH2 6.000 . 6.000 5.937 4.522 7.088 1.088 20 14 "[ ** * * 1** *. *-*+ * .* * ]" 1
928 1 61 ARG QB 1 81 TRP HZ3 6.000 . 6.000 4.290 2.514 5.998 . 0 0 "[ . 1 . 2 . ]" 1
929 1 61 ARG QG 1 81 TRP HH2 6.000 . 6.000 6.004 4.080 6.996 0.996 20 12 "[ * * 1** *. ***+ - .* * ]" 1
930 1 61 ARG QG 1 81 TRP HZ3 6.000 . 6.000 4.593 2.329 5.988 . 0 0 "[ . 1 . 2 . ]" 1
931 1 61 ARG QD 1 81 TRP H 6.000 . 6.000 6.001 5.827 6.066 0.066 22 0 "[ . 1 . 2 . ]" 1
932 1 61 ARG QD 1 81 TRP HE3 5.000 . 5.000 3.262 2.328 4.490 . 0 0 "[ . 1 . 2 . ]" 1
933 1 61 ARG QD 1 81 TRP HZ2 6.000 . 6.000 5.296 3.478 6.023 0.023 3 0 "[ . 1 . 2 . ]" 1
934 1 61 ARG QD 1 81 TRP HZ3 5.000 . 5.000 2.949 1.952 4.211 . 0 0 "[ . 1 . 2 . ]" 1
935 1 61 ARG HE 1 81 TRP H 6.000 . 6.000 4.319 4.120 4.493 . 0 0 "[ . 1 . 2 . ]" 1
936 1 61 ARG HE 1 81 TRP HA 5.000 . 5.000 4.263 3.283 5.006 0.006 7 0 "[ . 1 . 2 . ]" 1
937 1 61 ARG HE 1 81 TRP HD1 6.000 . 6.000 4.996 3.344 6.017 0.017 24 0 "[ . 1 . 2 . ]" 1
938 1 61 ARG HE 1 81 TRP HE1 6.000 . 6.000 5.129 3.401 5.826 . 0 0 "[ . 1 . 2 . ]" 1
939 1 61 ARG HE 1 81 TRP HH2 6.000 . 6.000 4.651 3.937 5.611 . 0 0 "[ . 1 . 2 . ]" 1
940 1 61 ARG HE 1 81 TRP HZ2 5.000 . 5.000 4.969 3.976 5.096 0.096 19 0 "[ . 1 . 2 . ]" 1
941 1 61 ARG HE 1 81 TRP HZ3 5.000 . 5.000 3.572 2.655 5.034 0.034 20 0 "[ . 1 . 2 . ]" 1
942 1 61 ARG QH 1 81 TRP H 5.000 . 5.000 2.760 2.473 3.605 . 0 0 "[ . 1 . 2 . ]" 1
943 1 61 ARG QH 1 81 TRP HA 4.000 . 4.000 3.972 3.680 4.094 0.094 20 0 "[ . 1 . 2 . ]" 1
944 1 61 ARG QH 1 81 TRP QB 6.000 . 6.000 3.268 2.260 4.373 . 0 0 "[ . 1 . 2 . ]" 1
945 1 61 ARG QH 1 81 TRP HD1 5.000 . 5.000 3.420 2.053 4.747 . 0 0 "[ . 1 . 2 . ]" 1
946 1 61 ARG QH 1 81 TRP HE1 5.000 . 5.000 3.574 2.350 4.352 . 0 0 "[ . 1 . 2 . ]" 1
947 1 61 ARG QH 1 81 TRP HE3 5.000 . 5.000 3.876 3.333 5.018 0.018 13 0 "[ . 1 . 2 . ]" 1
948 1 61 ARG QH 1 81 TRP HH2 6.000 . 6.000 4.463 2.945 6.032 0.032 20 0 "[ . 1 . 2 . ]" 1
949 1 61 ARG QH 1 81 TRP HZ2 5.000 . 5.000 4.056 2.916 5.057 0.057 22 0 "[ . 1 . 2 . ]" 1
950 1 61 ARG QH 1 81 TRP HZ3 6.000 . 6.000 4.470 3.387 6.001 0.001 20 0 "[ . 1 . 2 . ]" 1
951 1 61 ARG HE 1 82 ASN H 6.000 . 6.000 6.188 5.897 6.710 0.710 4 2 "[ +. 1 . 2 -. ]" 1
952 1 61 ARG QH 1 82 ASN H 6.000 . 6.000 4.837 4.302 5.640 . 0 0 "[ . 1 . 2 . ]" 1
953 1 62 ILE H 1 62 ILE QG 5.000 . 5.000 4.230 3.300 4.472 . 0 0 "[ . 1 . 2 . ]" 1
954 1 62 ILE H 1 62 ILE MD 5.000 . 5.000 4.155 2.014 4.364 . 0 0 "[ . 1 . 2 . ]" 1
955 1 62 ILE H 1 63 ALA H 4.000 . 4.000 4.040 4.022 4.107 0.107 4 0 "[ . 1 . 2 . ]" 1
956 1 62 ILE H 1 63 ALA MB 6.000 . 6.000 5.169 5.081 5.308 . 0 0 "[ . 1 . 2 . ]" 1
957 1 62 ILE HA 1 63 ALA H 3.500 . 3.500 2.160 2.122 2.176 . 0 0 "[ . 1 . 2 . ]" 1
958 1 62 ILE HA 1 63 ALA MB 4.000 . 4.000 3.938 3.891 3.958 . 0 0 "[ . 1 . 2 . ]" 1
959 1 62 ILE HB 1 63 ALA H 4.000 . 4.000 3.988 3.101 4.174 0.174 7 0 "[ . 1 . 2 . ]" 1
960 1 62 ILE QG 1 63 ALA H 5.000 . 5.000 2.910 2.617 4.677 . 0 0 "[ . 1 . 2 . ]" 1
961 1 62 ILE MG 1 63 ALA H 4.000 . 4.000 3.873 2.838 4.054 0.054 21 0 "[ . 1 . 2 . ]" 1
962 1 62 ILE MG 1 63 ALA HA 5.000 . 5.000 4.639 4.279 5.077 0.077 4 0 "[ . 1 . 2 . ]" 1
963 1 62 ILE MG 1 63 ALA MB 6.000 . 6.000 4.715 4.043 4.834 . 0 0 "[ . 1 . 2 . ]" 1
964 1 62 ILE MD 1 63 ALA H 5.000 . 5.000 2.170 1.813 4.243 . 0 0 "[ . 1 . 2 . ]" 1
965 1 62 ILE MD 1 63 ALA HA 6.000 . 6.000 4.286 3.481 4.610 . 0 0 "[ . 1 . 2 . ]" 1
966 1 62 ILE MD 1 63 ALA MB 6.000 . 6.000 3.157 2.527 5.079 . 0 0 "[ . 1 . 2 . ]" 1
967 1 62 ILE QG 1 64 ARG H 6.000 . 6.000 3.811 3.319 6.111 0.111 16 0 "[ . 1 . 2 . ]" 1
968 1 62 ILE MG 1 64 ARG H 5.000 . 5.000 4.989 4.591 5.059 0.059 19 0 "[ . 1 . 2 . ]" 1
969 1 62 ILE MG 1 64 ARG HA 6.000 . 6.000 4.352 3.957 5.485 . 0 0 "[ . 1 . 2 . ]" 1
970 1 62 ILE MG 1 64 ARG QB 6.000 . 6.000 5.794 5.299 6.160 0.160 4 0 "[ . 1 . 2 . ]" 1
971 1 62 ILE MG 1 64 ARG QD 6.000 . 6.000 5.240 4.646 6.780 0.780 7 3 "[ *. + 1 .- 2 . ]" 1
972 1 62 ILE MD 1 64 ARG H 6.000 . 6.000 3.618 2.597 5.603 . 0 0 "[ . 1 . 2 . ]" 1
973 1 62 ILE MD 1 64 ARG HA 6.000 . 6.000 4.661 3.039 5.028 . 0 0 "[ . 1 . 2 . ]" 1
974 1 62 ILE MD 1 64 ARG QB 6.000 . 6.000 5.303 4.185 6.249 0.249 16 0 "[ . 1 . 2 . ]" 1
975 1 62 ILE MD 1 64 ARG QD 6.000 . 6.000 5.732 4.297 6.003 0.003 20 0 "[ . 1 . 2 . ]" 1
976 1 62 ILE QG 1 65 GLY H 6.000 . 6.000 3.037 2.713 4.513 . 0 0 "[ . 1 . 2 . ]" 1
977 1 62 ILE MG 1 65 GLY H 6.000 . 6.000 3.716 3.343 4.254 . 0 0 "[ . 1 . 2 . ]" 1
978 1 62 ILE MD 1 65 GLY H 6.000 . 6.000 3.701 2.176 4.663 . 0 0 "[ . 1 . 2 . ]" 1
979 1 62 ILE MG 1 66 ASP H 6.000 . 6.000 6.071 4.537 6.517 0.517 19 1 "[ . 1 . +2 . ]" 1
980 1 62 ILE MG 1 66 ASP HA 6.000 . 6.000 4.988 2.688 5.541 . 0 0 "[ . 1 . 2 . ]" 1
981 1 62 ILE MG 1 66 ASP QB 6.000 . 6.000 5.299 3.257 6.327 0.327 19 0 "[ . 1 . 2 . ]" 1
982 1 62 ILE HA 1 67 TRP HD1 6.000 . 6.000 5.199 4.900 5.334 . 0 0 "[ . 1 . 2 . ]" 1
983 1 62 ILE MG 1 67 TRP H 6.000 . 6.000 6.049 3.523 6.509 0.509 3 2 "[ + . 1 . -2 . ]" 1
984 1 62 ILE MG 1 67 TRP HD1 6.000 . 6.000 6.228 3.932 6.543 0.543 3 11 "[ *+ * 1** *. *-* .* * ]" 1
985 1 62 ILE HA 1 69 ASP HA 5.000 . 5.000 2.966 2.638 3.105 . 0 0 "[ . 1 . 2 . ]" 1
986 1 62 ILE HA 1 69 ASP QB 5.000 . 5.000 4.725 4.557 5.012 0.012 19 0 "[ . 1 . 2 . ]" 1
987 1 62 ILE MD 1 69 ASP HA 6.000 . 6.000 2.205 1.785 5.269 . 0 0 "[ . 1 . 2 . ]" 1
988 1 62 ILE MG 1 81 TRP QB 6.000 . 6.000 5.674 5.132 6.155 0.155 21 0 "[ . 1 . 2 . ]" 1
989 1 62 ILE MG 1 81 TRP HE3 6.000 . 6.000 5.646 5.308 6.679 0.679 20 1 "[ . 1 . + . ]" 1
990 1 62 ILE MD 1 81 TRP HA 6.000 . 6.000 5.289 4.860 6.092 0.092 16 0 "[ . 1 . 2 . ]" 1
991 1 62 ILE MD 1 81 TRP QB 6.000 . 6.000 4.527 4.095 5.984 . 0 0 "[ . 1 . 2 . ]" 1
992 1 62 ILE MD 1 81 TRP HE3 6.000 . 6.000 5.245 4.684 5.995 . 0 0 "[ . 1 . 2 . ]" 1
993 1 63 ALA H 1 64 ARG H 4.000 . 4.000 3.545 3.347 3.725 . 0 0 "[ . 1 . 2 . ]" 1
994 1 63 ALA HA 1 64 ARG H 3.500 . 3.500 3.504 3.472 3.518 0.018 16 0 "[ . 1 . 2 . ]" 1
995 1 63 ALA MB 1 64 ARG H 4.000 . 4.000 1.747 1.667 1.821 . 0 0 "[ . 1 . 2 . ]" 1
996 1 63 ALA MB 1 64 ARG QD 5.000 . 5.000 4.268 1.929 5.005 0.005 18 0 "[ . 1 . 2 . ]" 1
997 1 63 ALA MB 1 65 GLY H 5.000 . 5.000 4.742 4.668 4.793 . 0 0 "[ . 1 . 2 . ]" 1
998 1 63 ALA MB 1 65 GLY QA 6.000 . 6.000 5.271 5.190 5.339 . 0 0 "[ . 1 . 2 . ]" 1
999 1 63 ALA MB 1 66 ASP H 6.000 . 6.000 5.417 5.391 5.492 . 0 0 "[ . 1 . 2 . ]" 1
1000 1 63 ALA MB 1 66 ASP HA 6.000 . 6.000 5.548 5.433 5.707 . 0 0 "[ . 1 . 2 . ]" 1
1001 1 63 ALA MB 1 66 ASP QB 6.000 . 6.000 6.703 6.557 6.855 0.855 19 29 [***-**************+**********] 1
1002 1 63 ALA HA 1 67 TRP HD1 6.000 . 6.000 6.061 6.034 6.085 0.085 21 0 "[ . 1 . 2 . ]" 1
1003 1 63 ALA HA 1 67 TRP HE1 5.000 . 5.000 4.161 4.027 4.223 . 0 0 "[ . 1 . 2 . ]" 1
1004 1 63 ALA MB 1 67 TRP H 5.000 . 5.000 4.799 4.748 4.906 . 0 0 "[ . 1 . 2 . ]" 1
1005 1 63 ALA MB 1 67 TRP QB 5.000 . 5.000 4.987 4.922 5.025 0.025 4 0 "[ . 1 . 2 . ]" 1
1006 1 63 ALA MB 1 67 TRP HD1 5.000 . 5.000 3.218 3.152 3.333 . 0 0 "[ . 1 . 2 . ]" 1
1007 1 63 ALA MB 1 67 TRP HE1 5.500 . 5.500 1.728 1.683 1.753 . 0 0 "[ . 1 . 2 . ]" 1
1008 1 63 ALA MB 1 67 TRP HE3 6.000 . 6.000 5.944 5.767 6.036 0.036 23 0 "[ . 1 . 2 . ]" 1
1009 1 63 ALA MB 1 67 TRP HZ2 6.000 . 6.000 2.690 2.333 2.850 . 0 0 "[ . 1 . 2 . ]" 1
1010 1 63 ALA H 1 68 ASN H 6.000 . 6.000 5.377 5.244 5.474 . 0 0 "[ . 1 . 2 . ]" 1
1011 1 63 ALA H 1 68 ASN QB 6.000 . 6.000 5.591 5.394 5.719 . 0 0 "[ . 1 . 2 . ]" 1
1012 1 63 ALA H 1 68 ASN QD 6.000 . 6.000 5.007 4.712 5.153 . 0 0 "[ . 1 . 2 . ]" 1
1013 1 63 ALA MB 1 68 ASN H 5.000 . 5.000 4.724 4.651 4.780 . 0 0 "[ . 1 . 2 . ]" 1
1014 1 63 ALA MB 1 68 ASN QB 5.000 . 5.000 5.024 4.990 5.044 0.044 19 0 "[ . 1 . 2 . ]" 1
1015 1 63 ALA MB 1 68 ASN QD 5.000 . 5.000 3.867 3.662 3.968 . 0 0 "[ . 1 . 2 . ]" 1
1016 1 63 ALA H 1 69 ASP HA 4.000 . 4.000 3.892 3.594 4.011 0.011 21 0 "[ . 1 . 2 . ]" 1
1017 1 63 ALA H 1 69 ASP QB 6.000 . 6.000 5.854 5.590 5.959 . 0 0 "[ . 1 . 2 . ]" 1
1018 1 63 ALA MB 1 69 ASP H 5.000 . 5.000 4.536 4.331 4.627 . 0 0 "[ . 1 . 2 . ]" 1
1019 1 63 ALA MB 1 69 ASP HA 5.000 . 5.000 4.951 4.617 5.014 0.014 13 0 "[ . 1 . 2 . ]" 1
1020 1 63 ALA MB 1 69 ASP QB 6.000 . 6.000 6.409 6.150 6.469 0.469 23 0 "[ . 1 . 2 . ]" 1
1021 1 63 ALA MB 1 81 TRP HE3 6.000 . 6.000 4.130 3.345 4.841 . 0 0 "[ . 1 . 2 . ]" 1
1022 1 63 ALA MB 1 81 TRP HZ3 6.000 . 6.000 4.740 3.035 6.022 0.022 24 0 "[ . 1 . 2 . ]" 1
1023 1 63 ALA MB 1 83 HIS HD2 6.000 . 6.000 4.052 3.484 4.425 . 0 0 "[ . 1 . 2 . ]" 1
1024 1 64 ARG H 1 64 ARG QG 5.000 . 5.000 3.961 3.084 4.359 . 0 0 "[ . 1 . 2 . ]" 1
1025 1 64 ARG H 1 64 ARG QD 5.000 . 5.000 3.997 2.297 4.452 . 0 0 "[ . 1 . 2 . ]" 1
1026 1 64 ARG H 1 65 GLY H 4.000 . 4.000 3.554 3.529 3.574 . 0 0 "[ . 1 . 2 . ]" 1
1027 1 64 ARG H 1 65 GLY QA 6.000 . 6.000 4.330 4.320 4.358 . 0 0 "[ . 1 . 2 . ]" 1
1028 1 64 ARG HA 1 65 GLY H 3.500 . 3.500 2.305 2.293 2.315 . 0 0 "[ . 1 . 2 . ]" 1
1029 1 64 ARG HA 1 65 GLY QA 5.000 . 5.000 3.897 3.891 3.902 . 0 0 "[ . 1 . 2 . ]" 1
1030 1 64 ARG QB 1 65 GLY H 4.000 . 4.000 3.900 3.781 4.030 0.030 7 0 "[ . 1 . 2 . ]" 1
1031 1 64 ARG QG 1 65 GLY H 5.000 . 5.000 4.281 3.696 4.846 . 0 0 "[ . 1 . 2 . ]" 1
1032 1 64 ARG QD 1 65 GLY H 5.000 . 5.000 4.198 3.647 5.003 0.003 27 0 "[ . 1 . 2 . ]" 1
1033 1 64 ARG HA 1 66 ASP H 6.000 . 6.000 5.693 5.633 5.744 . 0 0 "[ . 1 . 2 . ]" 1
1034 1 64 ARG H 1 67 TRP QB 6.000 . 6.000 6.008 5.881 6.053 0.053 9 0 "[ . 1 . 2 . ]" 1
1035 1 64 ARG H 1 67 TRP HD1 6.000 . 6.000 4.505 4.406 4.578 . 0 0 "[ . 1 . 2 . ]" 1
1036 1 64 ARG H 1 67 TRP HE1 5.000 . 5.000 2.001 1.945 2.062 . 0 0 "[ . 1 . 2 . ]" 1
1037 1 64 ARG H 1 67 TRP HZ2 6.000 . 6.000 1.980 1.755 2.177 . 0 0 "[ . 1 . 2 . ]" 1
1038 1 64 ARG HA 1 67 TRP HZ2 6.000 . 6.000 3.862 3.702 3.937 . 0 0 "[ . 1 . 2 . ]" 1
1039 1 64 ARG QB 1 67 TRP HD1 6.000 . 6.000 6.475 6.295 6.588 0.588 22 9 "[ . * *1 - * *2 + * * *]" 1
1040 1 64 ARG QB 1 67 TRP HE1 6.000 . 6.000 4.264 4.113 4.375 . 0 0 "[ . 1 . 2 . ]" 1
1041 1 64 ARG QB 1 67 TRP HZ2 6.000 . 6.000 2.164 2.026 2.353 . 0 0 "[ . 1 . 2 . ]" 1
1042 1 64 ARG QG 1 67 TRP HE1 6.000 . 6.000 5.670 4.730 6.087 0.087 20 0 "[ . 1 . 2 . ]" 1
1043 1 64 ARG QG 1 67 TRP HZ2 6.000 . 6.000 4.047 3.574 4.430 . 0 0 "[ . 1 . 2 . ]" 1
1044 1 64 ARG QD 1 67 TRP HZ2 6.000 . 6.000 4.446 2.513 5.009 . 0 0 "[ . 1 . 2 . ]" 1
1045 1 64 ARG H 1 68 ASN QD 6.000 . 6.000 5.683 5.465 5.791 . 0 0 "[ . 1 . 2 . ]" 1
1046 1 65 GLY H 1 66 ASP H 4.000 . 4.000 4.036 4.023 4.049 0.049 16 0 "[ . 1 . 2 . ]" 1
1047 1 65 GLY QA 1 66 ASP HA 6.000 . 6.000 4.095 4.086 4.101 . 0 0 "[ . 1 . 2 . ]" 1
1048 1 65 GLY QA 1 66 ASP QB 6.000 . 6.000 3.721 3.470 3.935 . 0 0 "[ . 1 . 2 . ]" 1
1049 1 65 GLY QA 1 66 ASP H 3.000 . 3.000 2.133 2.122 2.140 . 0 0 "[ . 1 . 2 . ]" 1
1050 1 65 GLY H 1 67 TRP HE1 6.000 . 6.000 4.724 4.577 4.853 . 0 0 "[ . 1 . 2 . ]" 1
1051 1 65 GLY QA 1 67 TRP H 5.000 . 5.000 4.976 4.907 5.021 0.021 4 0 "[ . 1 . 2 . ]" 1
1052 1 65 GLY QA 1 67 TRP HD1 6.000 . 6.000 5.960 5.878 6.022 0.022 21 0 "[ . 1 . 2 . ]" 1
1053 1 65 GLY QA 1 67 TRP HE1 6.000 . 6.000 4.912 4.763 5.103 . 0 0 "[ . 1 . 2 . ]" 1
1054 1 65 GLY QA 1 67 TRP HE3 6.000 . 6.000 5.246 5.154 5.353 . 0 0 "[ . 1 . 2 . ]" 1
1055 1 65 GLY QA 1 67 TRP HZ2 6.000 . 6.000 4.109 3.895 4.422 . 0 0 "[ . 1 . 2 . ]" 1
1056 1 65 GLY QA 1 67 TRP HZ3 6.000 . 6.000 4.847 4.734 4.985 . 0 0 "[ . 1 . 2 . ]" 1
1057 1 65 GLY QA 1 67 TRP HH2 6.000 . 6.000 4.275 4.089 4.557 . 0 0 "[ . 1 . 2 . ]" 1
1058 1 65 GLY QA 1 68 ASN QD 6.000 . 6.000 7.064 7.045 7.081 1.081 28 29 [************************-**+*] 1
1059 1 66 ASP H 1 67 TRP H 4.000 . 4.000 3.263 3.226 3.291 . 0 0 "[ . 1 . 2 . ]" 1
1060 1 66 ASP H 1 67 TRP QB 6.000 . 6.000 4.494 4.446 4.539 . 0 0 "[ . 1 . 2 . ]" 1
1061 1 66 ASP H 1 67 TRP HD1 5.500 . 5.500 4.754 4.726 4.794 . 0 0 "[ . 1 . 2 . ]" 1
1062 1 66 ASP H 1 67 TRP HE1 6.000 . 6.000 4.500 4.432 4.652 . 0 0 "[ . 1 . 2 . ]" 1
1063 1 66 ASP H 1 67 TRP HE3 5.000 . 5.000 4.293 4.223 4.376 . 0 0 "[ . 1 . 2 . ]" 1
1064 1 66 ASP HA 1 67 TRP H 3.500 . 3.500 2.205 2.179 2.228 . 0 0 "[ . 1 . 2 . ]" 1
1065 1 66 ASP HA 1 67 TRP HD1 5.500 . 5.500 4.193 4.074 4.278 . 0 0 "[ . 1 . 2 . ]" 1
1066 1 66 ASP QB 1 67 TRP H 5.000 . 5.000 3.800 3.683 3.952 . 0 0 "[ . 1 . 2 . ]" 1
1067 1 66 ASP QB 1 67 TRP HD1 6.000 . 6.000 5.815 5.616 5.990 . 0 0 "[ . 1 . 2 . ]" 1
1068 1 66 ASP QB 1 67 TRP HE3 6.000 . 6.000 6.339 5.974 6.688 0.688 21 15 "[* ** * ** * . * 2+*-*.*** ]" 1
1069 1 66 ASP HA 1 68 ASN H 6.000 . 6.000 4.467 4.442 4.499 . 0 0 "[ . 1 . 2 . ]" 1
1070 1 66 ASP QB 1 68 ASN H 6.000 . 6.000 5.741 5.568 5.969 . 0 0 "[ . 1 . 2 . ]" 1
1071 1 67 TRP H 1 67 TRP HD1 5.000 . 5.000 2.370 2.289 2.419 . 0 0 "[ . 1 . 2 . ]" 1
1072 1 67 TRP H 1 67 TRP HE3 6.000 . 6.000 4.838 4.810 4.868 . 0 0 "[ . 1 . 2 . ]" 1
1073 1 67 TRP H 1 67 TRP HE1 6.000 . 6.000 3.904 3.873 3.926 . 0 0 "[ . 1 . 2 . ]" 1
1074 1 67 TRP H 1 68 ASN H 4.000 . 4.000 2.415 2.406 2.430 . 0 0 "[ . 1 . 2 . ]" 1
1075 1 67 TRP H 1 68 ASN QB 6.000 . 6.000 4.798 4.769 4.881 . 0 0 "[ . 1 . 2 . ]" 1
1076 1 67 TRP HA 1 68 ASN H 3.500 . 3.500 3.518 3.512 3.522 0.022 9 0 "[ . 1 . 2 . ]" 1
1077 1 67 TRP QB 1 68 ASN H 4.000 . 4.000 2.221 2.207 2.248 . 0 0 "[ . 1 . 2 . ]" 1
1078 1 67 TRP HD1 1 68 ASN H 5.000 . 5.000 1.805 1.719 1.848 . 0 0 "[ . 1 . 2 . ]" 1
1079 1 67 TRP HD1 1 68 ASN QB 5.500 . 5.500 3.577 3.488 3.638 . 0 0 "[ . 1 . 2 . ]" 1
1080 1 67 TRP HE1 1 68 ASN QD 5.500 . 5.500 3.895 3.728 4.016 . 0 0 "[ . 1 . 2 . ]" 1
1081 1 67 TRP HE3 1 68 ASN H 5.500 . 5.500 5.521 5.474 5.536 0.036 9 0 "[ . 1 . 2 . ]" 1
1082 1 67 TRP HD1 1 70 ASP QB 6.000 . 6.000 6.718 6.659 7.037 1.037 21 29 [*-******************+********] 1
1083 1 67 TRP HE1 1 70 ASP QB 6.000 . 6.000 7.053 7.024 7.145 1.145 21 29 [***-****************+********] 1
1084 1 67 TRP QB 1 83 HIS HD2 6.000 . 6.000 4.566 4.212 6.571 0.571 19 1 "[ . 1 . +2 . ]" 1
1085 1 67 TRP HD1 1 83 HIS HA 6.000 . 6.000 6.003 5.682 6.047 0.047 19 0 "[ . 1 . 2 . ]" 1
1086 1 67 TRP HD1 1 83 HIS QB 6.000 . 6.000 5.665 5.141 6.099 0.099 19 0 "[ . 1 . 2 . ]" 1
1087 1 68 ASN H 1 68 ASN QD 5.000 . 5.000 1.838 1.808 1.892 . 0 0 "[ . 1 . 2 . ]" 1
1088 1 68 ASN H 1 69 ASP H 4.000 . 4.000 1.992 1.938 2.062 . 0 0 "[ . 1 . 2 . ]" 1
1089 1 68 ASN HA 1 69 ASP H 4.000 . 4.000 3.485 3.459 3.519 . 0 0 "[ . 1 . 2 . ]" 1
1090 1 68 ASN QB 1 69 ASP H 5.000 . 5.000 2.758 2.458 2.918 . 0 0 "[ . 1 . 2 . ]" 1
1091 1 68 ASN HA 1 70 ASP H 6.000 . 6.000 6.879 6.818 6.918 0.918 19 29 [******************+**-*******] 1
1092 1 68 ASN HA 1 71 TYR QD 6.000 . 6.000 5.815 5.351 6.012 0.012 19 0 "[ . 1 . 2 . ]" 1
1093 1 68 ASN HA 1 71 TYR QE 6.000 . 6.000 5.639 4.911 5.919 . 0 0 "[ . 1 . 2 . ]" 1
1094 1 68 ASN QB 1 71 TYR QE 6.000 . 6.000 5.980 5.367 6.129 0.129 19 0 "[ . 1 . 2 . ]" 1
1095 1 68 ASN H 1 82 ASN QD 6.000 . 6.000 6.374 5.369 7.000 1.000 9 13 "[* **. *+* .*- 2** *** ]" 1
1096 1 68 ASN QB 1 82 ASN QD 6.000 . 6.000 3.460 2.470 4.319 . 0 0 "[ . 1 . 2 . ]" 1
1097 1 68 ASN HA 1 83 HIS HD2 6.000 . 6.000 5.162 4.682 7.015 1.015 19 2 "[ . 1 - +2 . ]" 1
1098 1 68 ASN QB 1 83 HIS HE1 6.000 . 6.000 4.636 3.691 5.340 . 0 0 "[ . 1 . 2 . ]" 1
1099 1 68 ASN QD 1 83 HIS H 6.000 . 6.000 5.534 5.205 6.117 0.117 22 0 "[ . 1 . 2 . ]" 1
1100 1 69 ASP HA 1 70 ASP H 4.000 . 4.000 2.293 2.150 2.443 . 0 0 "[ . 1 . 2 . ]" 1
1101 1 69 ASP HA 1 70 ASP QB 5.000 . 5.000 4.033 3.971 4.612 . 0 0 "[ . 1 . 2 . ]" 1
1102 1 69 ASP QB 1 70 ASP H 4.000 . 4.000 2.637 2.138 3.184 . 0 0 "[ . 1 . 2 . ]" 1
1103 1 69 ASP H 1 71 TYR QE 6.000 . 6.000 5.311 5.000 5.521 . 0 0 "[ . 1 . 2 . ]" 1
1104 1 69 ASP HA 1 71 TYR QD 5.000 . 5.000 4.978 4.884 5.051 0.051 11 0 "[ . 1 . 2 . ]" 1
1105 1 69 ASP HA 1 71 TYR QE 5.000 . 5.000 4.511 4.465 4.565 . 0 0 "[ . 1 . 2 . ]" 1
1106 1 69 ASP QB 1 71 TYR QD 6.000 . 6.000 2.740 2.387 3.165 . 0 0 "[ . 1 . 2 . ]" 1
1107 1 69 ASP QB 1 71 TYR QE 5.000 . 5.000 1.861 1.809 1.947 . 0 0 "[ . 1 . 2 . ]" 1
1108 1 69 ASP H 1 81 TRP QB 6.000 . 6.000 5.200 4.617 5.839 . 0 0 "[ . 1 . 2 . ]" 1
1109 1 69 ASP QB 1 82 ASN H 6.000 . 6.000 7.109 7.014 7.185 1.185 17 29 [****************+****-*******] 1
1110 1 70 ASP H 1 71 TYR H 5.000 . 5.000 4.363 4.101 4.595 . 0 0 "[ . 1 . 2 . ]" 1
1111 1 70 ASP HA 1 71 TYR H 3.000 . 3.000 2.159 2.133 2.223 . 0 0 "[ . 1 . 2 . ]" 1
1112 1 70 ASP HA 1 71 TYR QB 5.000 . 5.000 4.187 4.085 4.257 . 0 0 "[ . 1 . 2 . ]" 1
1113 1 70 ASP HA 1 71 TYR QD 5.000 . 5.000 4.121 4.058 4.176 . 0 0 "[ . 1 . 2 . ]" 1
1114 1 70 ASP HA 1 71 TYR QE 5.500 . 5.500 5.571 5.517 5.615 0.115 16 0 "[ . 1 . 2 . ]" 1
1115 1 70 ASP QB 1 71 TYR H 5.000 . 5.000 3.794 3.335 3.890 . 0 0 "[ . 1 . 2 . ]" 1
1116 1 70 ASP QB 1 71 TYR QD 6.000 . 6.000 5.132 5.096 5.206 . 0 0 "[ . 1 . 2 . ]" 1
1117 1 70 ASP QB 1 71 TYR QE 6.000 . 6.000 5.814 5.718 6.060 0.060 21 0 "[ . 1 . 2 . ]" 1
1118 1 70 ASP QB 1 72 CYS H 6.000 . 6.000 6.025 5.821 6.165 0.165 20 0 "[ . 1 . 2 . ]" 1
1119 1 70 ASP HA 1 80 PRO QG 6.000 . 6.000 4.626 4.425 4.927 . 0 0 "[ . 1 . 2 . ]" 1
1120 1 70 ASP HA 1 80 PRO QD 6.000 . 6.000 5.238 5.004 5.651 . 0 0 "[ . 1 . 2 . ]" 1
1121 1 70 ASP QB 1 80 PRO HA 6.000 . 6.000 5.285 4.451 5.549 . 0 0 "[ . 1 . 2 . ]" 1
1122 1 70 ASP QB 1 80 PRO QG 6.000 . 6.000 5.762 5.197 5.904 . 0 0 "[ . 1 . 2 . ]" 1
1123 1 70 ASP QB 1 80 PRO QD 6.000 . 6.000 5.686 5.263 5.993 . 0 0 "[ . 1 . 2 . ]" 1
1124 1 70 ASP QB 1 81 TRP HA 5.000 . 5.000 2.031 1.899 2.600 . 0 0 "[ . 1 . 2 . ]" 1
1125 1 70 ASP HA 1 81 TRP HD1 6.000 . 6.000 5.741 5.142 6.392 0.392 9 0 "[ . 1 . 2 . ]" 1
1126 1 70 ASP HA 1 82 ASN QD 6.000 . 6.000 4.328 2.158 5.923 . 0 0 "[ . 1 . 2 . ]" 1
1127 1 70 ASP HA 1 82 ASN H 6.000 . 6.000 4.203 3.681 4.574 . 0 0 "[ . 1 . 2 . ]" 1
1128 1 70 ASP QB 1 82 ASN H 6.000 . 6.000 5.033 4.701 5.211 . 0 0 "[ . 1 . 2 . ]" 1
1129 1 70 ASP HA 1 83 HIS HD2 6.000 . 6.000 6.441 4.797 7.022 1.022 7 13 "[ ** * + 1** *. ** - * .* * ]" 1
1130 1 71 TYR H 1 71 TYR QD 5.000 . 5.000 3.465 3.285 3.670 . 0 0 "[ . 1 . 2 . ]" 1
1131 1 71 TYR H 1 71 TYR QE 6.000 . 6.000 5.382 5.210 5.567 . 0 0 "[ . 1 . 2 . ]" 1
1132 1 71 TYR H 1 72 CYS H 4.500 . 4.500 4.408 4.364 4.469 . 0 0 "[ . 1 . 2 . ]" 1
1133 1 71 TYR HA 1 72 CYS H 3.000 . 3.000 2.164 2.132 2.261 . 0 0 "[ . 1 . 2 . ]" 1
1134 1 71 TYR HA 1 72 CYS QB 5.000 . 5.000 4.028 3.986 4.127 . 0 0 "[ . 1 . 2 . ]" 1
1135 1 71 TYR QB 1 72 CYS H 4.000 . 4.000 2.799 2.527 2.922 . 0 0 "[ . 1 . 2 . ]" 1
1136 1 71 TYR QD 1 72 CYS H 5.000 . 5.000 3.125 2.935 3.282 . 0 0 "[ . 1 . 2 . ]" 1
1137 1 71 TYR QE 1 72 CYS H 6.000 . 6.000 5.319 5.140 5.481 . 0 0 "[ . 1 . 2 . ]" 1
1138 1 71 TYR H 1 73 THR MG 6.000 . 6.000 5.056 4.883 5.239 . 0 0 "[ . 1 . 2 . ]" 1
1139 1 71 TYR QB 1 73 THR HA 5.000 . 5.000 5.013 4.963 5.045 0.045 29 0 "[ . 1 . 2 . ]" 1
1140 1 71 TYR QB 1 73 THR MG 6.000 . 6.000 4.317 4.285 4.367 . 0 0 "[ . 1 . 2 . ]" 1
1141 1 71 TYR QD 1 73 THR MG 6.000 . 6.000 6.035 6.017 6.069 0.069 10 0 "[ . 1 . 2 . ]" 1
1142 1 71 TYR H 1 80 PRO QB 5.000 . 5.000 4.419 4.041 4.696 . 0 0 "[ . 1 . 2 . ]" 1
1143 1 71 TYR H 1 80 PRO QG 5.000 . 5.000 3.372 3.174 3.570 . 0 0 "[ . 1 . 2 . ]" 1
1144 1 71 TYR H 1 80 PRO QD 5.000 . 5.000 3.904 3.697 4.304 . 0 0 "[ . 1 . 2 . ]" 1
1145 1 71 TYR QD 1 80 PRO QD 6.000 . 6.000 6.131 6.036 6.290 0.290 20 0 "[ . 1 . 2 . ]" 1
1146 1 71 TYR H 1 82 ASN QD 6.000 . 6.000 4.108 1.851 5.957 . 0 0 "[ . 1 . 2 . ]" 1
1147 1 72 CYS H 1 73 THR H 5.000 . 5.000 4.611 4.590 4.627 . 0 0 "[ . 1 . 2 . ]" 1
1148 1 72 CYS H 1 73 THR HA 6.000 . 6.000 5.398 5.258 5.474 . 0 0 "[ . 1 . 2 . ]" 1
1149 1 72 CYS H 1 73 THR MG 6.000 . 6.000 4.826 4.762 4.889 . 0 0 "[ . 1 . 2 . ]" 1
1150 1 72 CYS HA 1 73 THR H 4.000 . 4.000 2.412 2.355 2.488 . 0 0 "[ . 1 . 2 . ]" 1
1151 1 72 CYS HA 1 73 THR HA 5.000 . 5.000 4.422 4.402 4.439 . 0 0 "[ . 1 . 2 . ]" 1
1152 1 72 CYS HA 1 73 THR MG 5.000 . 5.000 3.248 3.168 3.410 . 0 0 "[ . 1 . 2 . ]" 1
1153 1 72 CYS QB 1 73 THR H 5.000 . 5.000 3.039 2.381 3.269 . 0 0 "[ . 1 . 2 . ]" 1
1154 1 72 CYS H 1 74 GLY H 6.000 . 6.000 5.454 5.334 5.811 . 0 0 "[ . 1 . 2 . ]" 1
1155 1 72 CYS HA 1 74 GLY H 5.000 . 5.000 3.996 3.904 4.108 . 0 0 "[ . 1 . 2 . ]" 1
1156 1 72 CYS QB 1 74 GLY H 5.000 . 5.000 2.979 2.347 3.602 . 0 0 "[ . 1 . 2 . ]" 1
1157 1 72 CYS HA 1 76 SER H 6.000 . 6.000 6.124 5.891 6.260 0.260 10 0 "[ . 1 . 2 . ]" 1
1158 1 72 CYS HA 1 79 CYS HA 5.000 . 5.000 2.632 2.382 2.947 . 0 0 "[ . 1 . 2 . ]" 1
1159 1 72 CYS H 1 80 PRO QG 6.000 . 6.000 5.553 5.214 5.812 . 0 0 "[ . 1 . 2 . ]" 1
1160 1 72 CYS H 1 80 PRO QD 6.000 . 6.000 4.606 4.365 4.756 . 0 0 "[ . 1 . 2 . ]" 1
1161 1 72 CYS HA 1 80 PRO QD 5.000 . 5.000 2.792 2.518 3.246 . 0 0 "[ . 1 . 2 . ]" 1
1162 1 73 THR H 1 74 GLY H 4.000 . 4.000 2.052 1.900 2.208 . 0 0 "[ . 1 . 2 . ]" 1
1163 1 73 THR H 1 74 GLY QA 5.000 . 5.000 3.941 3.883 4.002 . 0 0 "[ . 1 . 2 . ]" 1
1164 1 73 THR HA 1 74 GLY H 4.000 . 4.000 3.243 3.138 3.437 . 0 0 "[ . 1 . 2 . ]" 1
1165 1 73 THR HB 1 74 GLY H 5.000 . 5.000 4.449 4.217 4.525 . 0 0 "[ . 1 . 2 . ]" 1
1166 1 73 THR MG 1 74 GLY H 5.000 . 5.000 4.055 3.864 4.156 . 0 0 "[ . 1 . 2 . ]" 1
1167 1 73 THR H 1 75 LYS H 5.000 . 5.000 3.381 3.324 3.572 . 0 0 "[ . 1 . 2 . ]" 1
1168 1 73 THR H 1 75 LYS QB 6.000 . 6.000 5.251 4.997 5.747 . 0 0 "[ . 1 . 2 . ]" 1
1169 1 73 THR H 1 75 LYS QG 6.000 . 6.000 5.256 4.348 5.635 . 0 0 "[ . 1 . 2 . ]" 1
1170 1 73 THR HA 1 75 LYS H 5.000 . 5.000 4.434 4.317 4.625 . 0 0 "[ . 1 . 2 . ]" 1
1171 1 73 THR HA 1 75 LYS QB 6.000 . 6.000 5.328 5.139 5.932 . 0 0 "[ . 1 . 2 . ]" 1
1172 1 73 THR HA 1 75 LYS QG 5.000 . 5.000 4.683 4.182 5.013 0.013 27 0 "[ . 1 . 2 . ]" 1
1173 1 73 THR HB 1 75 LYS H 6.000 . 6.000 4.133 3.801 4.395 . 0 0 "[ . 1 . 2 . ]" 1
1174 1 73 THR HB 1 75 LYS QB 6.000 . 6.000 3.909 3.582 4.385 . 0 0 "[ . 1 . 2 . ]" 1
1175 1 73 THR HB 1 75 LYS QG 5.000 . 5.000 3.714 2.363 4.399 . 0 0 "[ . 1 . 2 . ]" 1
1176 1 73 THR HB 1 75 LYS QD 5.000 . 5.000 3.920 1.877 5.011 0.011 2 0 "[ . 1 . 2 . ]" 1
1177 1 73 THR HB 1 75 LYS QE 5.000 . 5.000 4.188 2.554 5.002 0.002 1 0 "[ . 1 . 2 . ]" 1
1178 1 73 THR MG 1 75 LYS H 5.000 . 5.000 4.223 4.144 4.303 . 0 0 "[ . 1 . 2 . ]" 1
1179 1 73 THR MG 1 75 LYS QB 5.000 . 5.000 4.422 4.204 5.030 0.030 27 0 "[ . 1 . 2 . ]" 1
1180 1 73 THR MG 1 75 LYS QE 6.000 . 6.000 5.120 2.833 6.001 0.001 2 0 "[ . 1 . 2 . ]" 1
1181 1 73 THR MG 1 75 LYS QZ 6.000 . 6.000 4.430 2.420 6.000 0.000 2 0 "[ . 1 . 2 . ]" 1
1182 1 73 THR H 1 76 SER H 5.000 . 5.000 4.208 3.816 4.350 . 0 0 "[ . 1 . 2 . ]" 1
1183 1 73 THR H 1 76 SER QB 6.000 . 6.000 5.030 4.433 5.945 . 0 0 "[ . 1 . 2 . ]" 1
1184 1 73 THR MG 1 76 SER H 5.000 . 5.000 4.956 4.170 5.023 0.023 1 0 "[ . 1 . 2 . ]" 1
1185 1 73 THR MG 1 76 SER QB 5.000 . 5.000 4.334 3.759 5.005 0.005 29 0 "[ . 1 . 2 . ]" 1
1186 1 73 THR H 1 79 CYS HA 6.000 . 6.000 4.278 3.696 4.385 . 0 0 "[ . 1 . 2 . ]" 1
1187 1 73 THR MG 1 79 CYS H 6.000 . 6.000 5.960 5.687 6.029 0.029 10 0 "[ . 1 . 2 . ]" 1
1188 1 73 THR MG 1 79 CYS HA 5.000 . 5.000 3.848 3.469 4.009 . 0 0 "[ . 1 . 2 . ]" 1
1189 1 73 THR H 1 80 PRO QB 6.000 . 6.000 6.768 6.660 7.007 1.007 19 29 [************-*****+**********] 1
1190 1 73 THR H 1 80 PRO QG 6.000 . 6.000 5.010 4.849 5.286 . 0 0 "[ . 1 . 2 . ]" 1
1191 1 73 THR H 1 80 PRO QD 6.000 . 6.000 3.865 3.595 4.058 . 0 0 "[ . 1 . 2 . ]" 1
1192 1 73 THR MG 1 80 PRO QB 4.000 . 4.000 4.008 3.875 4.034 0.034 7 0 "[ . 1 . 2 . ]" 1
1193 1 73 THR MG 1 80 PRO QG 4.000 . 4.000 2.458 2.331 2.493 . 0 0 "[ . 1 . 2 . ]" 1
1194 1 73 THR MG 1 80 PRO QD 5.000 . 5.000 2.460 2.249 2.543 . 0 0 "[ . 1 . 2 . ]" 1
1195 1 74 GLY H 1 75 LYS H 4.000 . 4.000 2.745 2.452 2.865 . 0 0 "[ . 1 . 2 . ]" 1
1196 1 74 GLY QA 1 75 LYS H 4.000 . 4.000 2.853 2.816 2.899 . 0 0 "[ . 1 . 2 . ]" 1
1197 1 74 GLY H 1 75 LYS QB 6.000 . 6.000 5.062 4.795 5.175 . 0 0 "[ . 1 . 2 . ]" 1
1198 1 74 GLY H 1 75 LYS QG 6.000 . 6.000 4.588 4.337 4.849 . 0 0 "[ . 1 . 2 . ]" 1
1199 1 74 GLY H 1 76 SER H 4.000 . 4.000 3.903 3.430 4.011 0.011 4 0 "[ . 1 . 2 . ]" 1
1200 1 74 GLY QA 1 76 SER H 5.000 . 5.000 3.730 3.640 4.247 . 0 0 "[ . 1 . 2 . ]" 1
1201 1 75 LYS H 1 75 LYS QG 5.000 . 5.000 2.965 2.431 3.191 . 0 0 "[ . 1 . 2 . ]" 1
1202 1 75 LYS H 1 75 LYS QD 6.000 . 6.000 4.154 2.703 4.825 . 0 0 "[ . 1 . 2 . ]" 1
1203 1 75 LYS H 1 76 SER H 3.000 . 3.000 1.948 1.824 1.997 . 0 0 "[ . 1 . 2 . ]" 1
1204 1 75 LYS H 1 76 SER HA 5.000 . 5.000 4.596 4.534 4.649 . 0 0 "[ . 1 . 2 . ]" 1
1205 1 75 LYS H 1 76 SER QB 5.000 . 5.000 4.024 3.634 4.602 . 0 0 "[ . 1 . 2 . ]" 1
1206 1 75 LYS HA 1 76 SER H 4.000 . 4.000 3.191 3.077 3.512 . 0 0 "[ . 1 . 2 . ]" 1
1207 1 75 LYS QB 1 76 SER H 5.000 . 5.000 3.568 2.681 3.986 . 0 0 "[ . 1 . 2 . ]" 1
1208 1 75 LYS QB 1 76 SER QB 6.000 . 6.000 3.787 3.377 4.942 . 0 0 "[ . 1 . 2 . ]" 1
1209 1 75 LYS QG 1 76 SER H 5.000 . 5.000 4.232 3.055 4.474 . 0 0 "[ . 1 . 2 . ]" 1
1210 1 75 LYS QG 1 76 SER QB 6.000 . 6.000 5.126 2.615 5.897 . 0 0 "[ . 1 . 2 . ]" 1
1211 1 75 LYS QZ 1 76 SER H 6.000 . 6.000 5.727 4.768 6.010 0.010 3 0 "[ . 1 . 2 . ]" 1
1212 1 75 LYS H 1 77 SER H 6.000 . 6.000 6.209 6.139 6.276 0.276 21 0 "[ . 1 . 2 . ]" 1
1213 1 76 SER H 1 77 SER H 5.000 . 5.000 4.362 4.325 4.459 . 0 0 "[ . 1 . 2 . ]" 1
1214 1 76 SER HA 1 77 SER H 3.000 . 3.000 2.436 2.354 2.535 . 0 0 "[ . 1 . 2 . ]" 1
1215 1 76 SER HA 1 77 SER QB 6.000 . 6.000 4.431 4.078 4.843 . 0 0 "[ . 1 . 2 . ]" 1
1216 1 76 SER QB 1 77 SER H 4.000 . 4.000 2.595 2.112 3.208 . 0 0 "[ . 1 . 2 . ]" 1
1217 1 76 SER H 1 78 ASP H 6.000 . 6.000 4.418 4.169 4.526 . 0 0 "[ . 1 . 2 . ]" 1
1218 1 76 SER HA 1 78 ASP H 4.000 . 4.000 3.980 3.895 4.031 0.031 21 0 "[ . 1 . 2 . ]" 1
1219 1 76 SER QB 1 78 ASP H 4.000 . 4.000 2.354 2.107 2.924 . 0 0 "[ . 1 . 2 . ]" 1
1220 1 76 SER QB 1 78 ASP QB 6.000 . 6.000 3.285 2.870 4.183 . 0 0 "[ . 1 . 2 . ]" 1
1221 1 77 SER H 1 78 ASP H 3.000 . 3.000 2.599 2.565 2.626 . 0 0 "[ . 1 . 2 . ]" 1
1222 1 77 SER H 1 78 ASP QB 5.000 . 5.000 4.258 3.901 4.548 . 0 0 "[ . 1 . 2 . ]" 1
1223 1 77 SER HA 1 78 ASP H 4.000 . 4.000 3.162 3.151 3.191 . 0 0 "[ . 1 . 2 . ]" 1
1224 1 77 SER QB 1 78 ASP H 5.000 . 5.000 3.866 3.572 3.950 . 0 0 "[ . 1 . 2 . ]" 1
1225 1 78 ASP H 1 79 CYS H 5.000 . 5.000 4.466 4.346 4.507 . 0 0 "[ . 1 . 2 . ]" 1
1226 1 78 ASP H 1 79 CYS HA 6.000 . 6.000 4.993 4.900 5.072 . 0 0 "[ . 1 . 2 . ]" 1
1227 1 78 ASP HA 1 79 CYS H 3.000 . 3.000 2.215 2.128 2.249 . 0 0 "[ . 1 . 2 . ]" 1
1228 1 78 ASP HA 1 79 CYS HA 5.000 . 5.000 4.400 4.377 4.410 . 0 0 "[ . 1 . 2 . ]" 1
1229 1 78 ASP HA 1 79 CYS QB 5.000 . 5.000 3.909 3.861 4.130 . 0 0 "[ . 1 . 2 . ]" 1
1230 1 78 ASP QB 1 79 CYS H 4.000 . 4.000 2.903 2.712 3.579 . 0 0 "[ . 1 . 2 . ]" 1
1231 1 78 ASP QB 1 79 CYS HA 6.000 . 6.000 4.234 4.127 4.488 . 0 0 "[ . 1 . 2 . ]" 1
1232 1 78 ASP QB 1 80 PRO HA 5.000 . 5.000 4.871 4.770 5.003 0.003 22 0 "[ . 1 . 2 . ]" 1
1233 1 78 ASP QB 1 80 PRO QD 6.000 . 6.000 3.705 3.414 4.076 . 0 0 "[ . 1 . 2 . ]" 1
1234 1 79 CYS H 1 80 PRO QD 5.000 . 5.000 3.945 3.844 4.138 . 0 0 "[ . 1 . 2 . ]" 1
1235 1 79 CYS HA 1 80 PRO HA 5.000 . 5.000 4.556 4.514 4.583 . 0 0 "[ . 1 . 2 . ]" 1
1236 1 79 CYS HA 1 80 PRO QB 5.000 . 5.000 4.669 4.640 4.730 . 0 0 "[ . 1 . 2 . ]" 1
1237 1 79 CYS HA 1 80 PRO QG 5.000 . 5.000 3.833 3.769 3.886 . 0 0 "[ . 1 . 2 . ]" 1
1238 1 79 CYS HA 1 80 PRO QD 4.000 . 4.000 1.922 1.865 1.979 . 0 0 "[ . 1 . 2 . ]" 1
1239 1 79 CYS QB 1 80 PRO QD 5.000 . 5.000 3.664 3.317 3.765 . 0 0 "[ . 1 . 2 . ]" 1
1240 1 80 PRO HA 1 81 TRP H 3.500 . 3.500 2.177 2.126 2.412 . 0 0 "[ . 1 . 2 . ]" 1
1241 1 80 PRO HA 1 81 TRP QB 5.000 . 5.000 4.627 4.329 4.883 . 0 0 "[ . 1 . 2 . ]" 1
1242 1 80 PRO HA 1 81 TRP HD1 4.500 . 4.500 3.637 2.457 4.286 . 0 0 "[ . 1 . 2 . ]" 1
1243 1 80 PRO HA 1 81 TRP HE1 6.000 . 6.000 4.982 4.372 5.436 . 0 0 "[ . 1 . 2 . ]" 1
1244 1 80 PRO QB 1 81 TRP H 4.000 . 4.000 3.182 2.524 3.329 . 0 0 "[ . 1 . 2 . ]" 1
1245 1 80 PRO QB 1 81 TRP QB 6.000 . 6.000 5.000 4.614 5.194 . 0 0 "[ . 1 . 2 . ]" 1
1246 1 80 PRO QG 1 81 TRP QB 6.000 . 6.000 5.978 5.655 6.116 0.116 15 0 "[ . 1 . 2 . ]" 1
1247 1 80 PRO QB 1 81 TRP HD1 6.000 . 6.000 4.252 3.962 4.588 . 0 0 "[ . 1 . 2 . ]" 1
1248 1 80 PRO QB 1 81 TRP HE1 6.000 . 6.000 5.798 5.100 6.046 0.046 28 0 "[ . 1 . 2 . ]" 1
1249 1 80 PRO QG 1 81 TRP H 5.000 . 5.000 4.589 4.194 4.682 . 0 0 "[ . 1 . 2 . ]" 1
1250 1 80 PRO QG 1 81 TRP HD1 6.000 . 6.000 5.963 5.414 6.421 0.421 23 0 "[ . 1 . 2 . ]" 1
1251 1 80 PRO QD 1 81 TRP H 6.000 . 6.000 4.983 4.946 5.017 . 0 0 "[ . 1 . 2 . ]" 1
1252 1 80 PRO HA 1 82 ASN H 5.000 . 5.000 3.725 3.527 5.026 0.026 22 0 "[ . 1 . 2 . ]" 1
1253 1 80 PRO QB 1 82 ASN H 5.000 . 5.000 2.820 2.314 3.666 . 0 0 "[ . 1 . 2 . ]" 1
1254 1 80 PRO QB 1 82 ASN QD 6.000 . 6.000 4.150 2.559 5.389 . 0 0 "[ . 1 . 2 . ]" 1
1255 1 80 PRO QG 1 82 ASN H 5.000 . 5.000 4.387 3.758 4.929 . 0 0 "[ . 1 . 2 . ]" 1
1256 1 80 PRO QD 1 82 ASN H 6.000 . 6.000 5.606 5.157 6.039 0.039 22 0 "[ . 1 . 2 . ]" 1
1257 1 80 PRO QG 1 82 ASN QD 5.000 . 5.000 4.099 3.121 5.013 0.013 21 0 "[ . 1 . 2 . ]" 1
1258 1 81 TRP H 1 81 TRP HD1 5.000 . 5.000 2.071 1.399 2.673 . 0 0 "[ . 1 . 2 . ]" 1
1259 1 81 TRP H 1 81 TRP HE1 5.000 . 5.000 3.977 3.858 4.117 . 0 0 "[ . 1 . 2 . ]" 1
1260 1 81 TRP H 1 82 ASN H 4.000 . 4.000 2.446 2.228 3.561 . 0 0 "[ . 1 . 2 . ]" 1
1261 1 81 TRP HA 1 82 ASN H 3.500 . 3.500 3.321 2.276 3.453 . 0 0 "[ . 1 . 2 . ]" 1
1262 1 81 TRP HA 1 82 ASN QB 6.000 . 6.000 4.084 3.862 4.505 . 0 0 "[ . 1 . 2 . ]" 1
1263 1 81 TRP QB 1 82 ASN H 5.000 . 5.000 3.404 2.710 3.881 . 0 0 "[ . 1 . 2 . ]" 1
1264 1 81 TRP HD1 1 82 ASN H 5.000 . 5.000 2.988 1.835 5.005 0.005 22 0 "[ . 1 . 2 . ]" 1
1265 1 81 TRP HD1 1 82 ASN HA 6.000 . 6.000 4.774 3.544 6.040 0.040 15 0 "[ . 1 . 2 . ]" 1
1266 1 81 TRP HE1 1 82 ASN H 6.000 . 6.000 5.244 4.192 7.029 1.029 22 1 "[ . 1 . 2 + . ]" 1
1267 1 81 TRP HE3 1 82 ASN H 6.000 . 6.000 6.106 6.057 6.141 0.141 28 0 "[ . 1 . 2 . ]" 1
1268 1 81 TRP QB 1 83 HIS H 6.000 . 6.000 3.297 2.349 5.600 . 0 0 "[ . 1 . 2 . ]" 1
1269 1 81 TRP HD1 1 83 HIS H 6.000 . 6.000 3.223 2.486 5.469 . 0 0 "[ . 1 . 2 . ]" 1
1270 1 81 TRP HE3 1 83 HIS HE1 6.000 . 6.000 3.980 2.078 5.785 . 0 0 "[ . 1 . 2 . ]" 1
1271 1 81 TRP HZ2 1 83 HIS QB 6.000 . 6.000 5.591 3.378 7.066 1.066 9 15 "[* *.* *+* * ** 2- *** * *]" 1
1272 1 82 ASN H 1 82 ASN QD 5.000 . 5.000 4.098 2.450 4.996 . 0 0 "[ . 1 . 2 . ]" 1
1273 1 82 ASN H 1 83 HIS H 4.000 . 4.000 2.617 2.222 4.038 0.038 22 0 "[ . 1 . 2 . ]" 1
1274 1 82 ASN H 1 83 HIS HD2 6.000 . 6.000 5.280 3.983 6.002 0.002 20 0 "[ . 1 . 2 . ]" 1
1275 1 82 ASN HA 1 83 HIS H 4.000 . 4.000 2.823 2.193 2.985 . 0 0 "[ . 1 . 2 . ]" 1
1276 1 82 ASN HA 1 83 HIS HD2 6.000 . 6.000 5.065 4.783 5.731 . 0 0 "[ . 1 . 2 . ]" 1
1277 1 82 ASN QB 1 83 HIS H 5.000 . 5.000 3.804 3.646 3.946 . 0 0 "[ . 1 . 2 . ]" 1
1278 1 82 ASN QB 1 83 HIS HD2 5.000 . 5.000 3.652 3.419 4.610 . 0 0 "[ . 1 . 2 . ]" 1
1279 1 82 ASN QB 1 83 HIS HE1 6.000 . 6.000 5.607 4.965 6.055 0.055 21 0 "[ . 1 . 2 . ]" 1
1280 1 83 HIS H 1 83 HIS HD2 5.000 . 5.000 3.909 3.231 4.751 . 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 24
_Distance_constraint_stats_list.Viol_count 139
_Distance_constraint_stats_list.Viol_total 215.909
_Distance_constraint_stats_list.Viol_max 0.137
_Distance_constraint_stats_list.Viol_rms 0.0252
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0107
_Distance_constraint_stats_list.Viol_average_violations_only 0.0536
_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 8 LYS 0.625 0.088 28 0 "[ . 1 . 2 . ]"
1 9 ILE 2.034 0.105 14 0 "[ . 1 . 2 . ]"
1 10 LEU 2.659 0.105 14 0 "[ . 1 . 2 . ]"
1 12 GLN 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 13 GLY 0.625 0.088 28 0 "[ . 1 . 2 . ]"
1 15 ASP 2.074 0.137 9 0 "[ . 1 . 2 . ]"
1 16 CYS 0.548 0.082 25 0 "[ . 1 . 2 . ]"
1 27 ARG 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 29 CYS 2.074 0.137 9 0 "[ . 1 . 2 . ]"
1 34 CYS 1.485 0.105 14 0 "[ . 1 . 2 . ]"
1 35 LYS 2.074 0.137 9 0 "[ . 1 . 2 . ]"
1 36 LEU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 49 ASP 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 51 CYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 52 ARG 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 53 PHE 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 54 LYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 55 LYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 56 ALA 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 58 THR 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 59 VAL 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 60 CYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 66 ASP 2.713 0.073 4 0 "[ . 1 . 2 . ]"
1 67 TRP 2.713 0.073 4 0 "[ . 1 . 2 . ]"
1 69 ASP 2.713 0.073 4 0 "[ . 1 . 2 . ]"
1 70 ASP 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 71 TYR 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 72 CYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 73 THR 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 74 GLY 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 75 LYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 82 ASN 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 8 LYS HA 1 9 ILE HA 5.000 . 5.000 4.339 4.273 4.390 . 0 0 "[ . 1 . 2 . ]" 2
2 1 8 LYS HA 1 9 ILE MG 5.000 . 5.000 3.597 3.441 3.813 . 0 0 "[ . 1 . 2 . ]" 2
3 1 8 LYS HA 1 9 ILE MD 5.000 . 5.000 3.644 3.199 3.920 . 0 0 "[ . 1 . 2 . ]" 2
4 1 8 LYS QD 1 13 GLY H 6.000 . 6.000 5.947 5.520 6.088 0.088 28 0 "[ . 1 . 2 . ]" 2
5 1 9 ILE MD 1 16 CYS QB 6.000 . 6.000 5.847 5.367 6.082 0.082 25 0 "[ . 1 . 2 . ]" 2
6 1 9 ILE MG 1 34 CYS QB 6.000 . 6.000 6.008 5.705 6.105 0.105 14 0 "[ . 1 . 2 . ]" 2
7 1 15 ASP HA 1 35 LYS H 5.000 . 5.000 5.071 4.983 5.137 0.137 9 0 "[ . 1 . 2 . ]" 2
8 1 16 CYS QB 1 35 LYS H 6.000 . 6.000 3.999 3.623 4.883 . 0 0 "[ . 1 . 2 . ]" 2
9 1 15 ASP HA 1 36 LEU H 5.000 . 5.000 4.043 3.271 4.461 . 0 0 "[ . 1 . 2 . ]" 2
10 1 27 ARG HA 1 51 CYS QB 6.000 . 6.000 4.409 4.269 4.593 . 0 0 "[ . 1 . 2 . ]" 2
11 1 49 ASP HA 1 54 LYS QE 6.000 . 6.000 3.976 2.934 5.143 . 0 0 "[ . 1 . 2 . ]" 2
12 1 53 PHE HA 1 54 LYS QZ 6.000 . 6.000 4.245 2.782 5.873 . 0 0 "[ . 1 . 2 . ]" 2
13 1 55 LYS QB 1 56 ALA HA 6.000 . 6.000 4.860 4.568 4.977 . 0 0 "[ . 1 . 2 . ]" 2
14 1 55 LYS QB 1 56 ALA MB 6.000 . 6.000 4.188 3.671 4.440 . 0 0 "[ . 1 . 2 . ]" 2
15 1 55 LYS QZ 1 56 ALA MB 6.000 . 6.000 4.037 1.975 5.617 . 0 0 "[ . 1 . 2 . ]" 2
16 1 57 GLY H 1 73 THR HA 6.000 . 6.000 3.992 3.803 4.120 . 0 0 "[ . 1 . 2 . ]" 2
17 1 58 THR H 1 73 THR HA 6.000 . 6.000 5.265 5.001 5.471 . 0 0 "[ . 1 . 2 . ]" 2
18 1 57 GLY H 1 59 VAL H 6.000 . 6.000 5.550 5.466 5.703 . 0 0 "[ . 1 . 2 . ]" 2
19 1 66 ASP HA 1 67 TRP HD1 6.000 . 6.000 3.719 3.583 3.787 . 0 0 "[ . 1 . 2 . ]" 2
20 1 66 ASP HA 1 67 TRP HE1 6.000 . 6.000 4.495 4.389 4.554 . 0 0 "[ . 1 . 2 . ]" 2
21 1 66 ASP HA 1 67 TRP HZ2 6.000 . 6.000 6.062 6.047 6.073 0.073 4 0 "[ . 1 . 2 . ]" 2
22 1 66 ASP HA 1 67 TRP HE3 6.000 . 6.000 6.031 6.014 6.058 0.058 21 0 "[ . 1 . 2 . ]" 2
23 1 69 ASP QB 1 70 ASP HA 6.000 . 6.000 3.470 2.463 4.286 . 0 0 "[ . 1 . 2 . ]" 2
24 1 53 PHE QB 1 73 THR H 6.000 . 6.000 4.548 4.375 4.667 . 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 30
_Distance_constraint_stats_list.Viol_count 246
_Distance_constraint_stats_list.Viol_total 145.266
_Distance_constraint_stats_list.Viol_max 0.071
_Distance_constraint_stats_list.Viol_rms 0.0131
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0058
_Distance_constraint_stats_list.Viol_average_violations_only 0.0204
_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 28 CYS 0.505 0.038 6 0 "[ . 1 . 2 . ]"
1 30 ASN 0.596 0.059 22 0 "[ . 1 . 2 . ]"
1 35 LYS 0.596 0.059 22 0 "[ . 1 . 2 . ]"
1 37 THR 0.651 0.038 6 0 "[ . 1 . 2 . ]"
1 40 SER 0.147 0.019 27 0 "[ . 1 . 2 . ]"
1 41 GLN 0.131 0.019 19 0 "[ . 1 . 2 . ]"
1 45 GLY 0.253 0.026 8 0 "[ . 1 . 2 . ]"
1 47 CYS 0.284 0.040 8 0 "[ . 1 . 2 . ]"
1 48 CYS 0.253 0.026 8 0 "[ . 1 . 2 . ]"
1 49 ASP 0.243 0.028 20 0 "[ . 1 . 2 . ]"
1 51 CYS 0.131 0.019 19 0 "[ . 1 . 2 . ]"
1 52 ARG 0.243 0.028 20 0 "[ . 1 . 2 . ]"
1 54 LYS 0.001 0.001 24 0 "[ . 1 . 2 . ]"
1 55 LYS 1.580 0.071 6 0 "[ . 1 . 2 . ]"
1 57 GLY 0.587 0.038 12 0 "[ . 1 . 2 . ]"
1 58 THR 1.580 0.071 6 0 "[ . 1 . 2 . ]"
1 60 CYS 0.614 0.063 22 0 "[ . 1 . 2 . ]"
1 70 ASP 0.614 0.063 22 0 "[ . 1 . 2 . ]"
1 71 TYR 0.069 0.065 22 0 "[ . 1 . 2 . ]"
1 72 CYS 0.587 0.038 12 0 "[ . 1 . 2 . ]"
1 77 SER 0.283 0.040 8 0 "[ . 1 . 2 . ]"
1 80 PRO 0.069 0.065 22 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 28 CYS O 1 37 THR H 2.000 . 2.300 2.285 1.939 2.338 0.038 6 0 "[ . 1 . 2 . ]" 3
2 1 28 CYS O 1 37 THR N 3.000 2.500 3.300 3.139 2.582 3.304 0.004 5 0 "[ . 1 . 2 . ]" 3
3 1 30 ASN O 1 35 LYS H 2.000 . 2.300 2.266 2.065 2.359 0.059 22 0 "[ . 1 . 2 . ]" 3
4 1 30 ASN O 1 35 LYS N 3.000 2.500 3.300 3.176 2.953 3.275 . 0 0 "[ . 1 . 2 . ]" 3
5 1 30 ASN H 1 35 LYS O 2.000 . 2.300 1.880 1.608 2.344 0.044 25 0 "[ . 1 . 2 . ]" 3
6 1 30 ASN N 1 35 LYS O 3.000 2.500 3.300 2.649 2.457 3.053 0.043 18 0 "[ . 1 . 2 . ]" 3
7 1 37 THR O 1 40 SER H 2.000 . 2.300 2.258 1.983 2.319 0.019 27 0 "[ . 1 . 2 . ]" 3
8 1 37 THR O 1 40 SER N 3.000 2.500 3.300 3.125 2.720 3.240 . 0 0 "[ . 1 . 2 . ]" 3
9 1 45 GLY O 1 48 CYS H 2.000 . 2.300 2.257 1.786 2.326 0.026 8 0 "[ . 1 . 2 . ]" 3
10 1 45 GLY O 1 48 CYS N 3.000 2.500 3.300 3.108 2.588 3.258 . 0 0 "[ . 1 . 2 . ]" 3
11 1 47 CYS O 1 54 LYS H 2.000 . 2.300 1.977 1.679 2.301 0.001 24 0 "[ . 1 . 2 . ]" 3
12 1 47 CYS O 1 54 LYS N 3.000 2.500 3.300 2.860 2.523 3.196 . 0 0 "[ . 1 . 2 . ]" 3
13 1 49 ASP O 1 52 ARG H 2.000 . 2.300 2.266 2.064 2.328 0.028 20 0 "[ . 1 . 2 . ]" 3
14 1 49 ASP O 1 52 ARG N 3.000 2.500 3.300 3.098 2.883 3.210 . 0 0 "[ . 1 . 2 . ]" 3
15 1 41 GLN H 1 51 CYS O 2.000 . 2.300 2.272 2.013 2.319 0.019 19 0 "[ . 1 . 2 . ]" 3
16 1 41 GLN N 1 51 CYS O 3.000 2.500 3.300 3.170 2.954 3.261 . 0 0 "[ . 1 . 2 . ]" 3
17 1 49 ASP H 1 52 ARG O 2.000 . 2.300 2.087 1.739 2.312 0.012 10 0 "[ . 1 . 2 . ]" 3
18 1 49 ASP N 1 52 ARG O 3.000 2.500 3.300 2.948 2.559 3.273 . 0 0 "[ . 1 . 2 . ]" 3
19 1 55 LYS O 1 58 THR H 2.000 . 2.300 2.354 2.291 2.371 0.071 6 0 "[ . 1 . 2 . ]" 3
20 1 55 LYS O 1 58 THR N 3.000 2.500 3.300 3.128 3.090 3.163 . 0 0 "[ . 1 . 2 . ]" 3
21 1 58 THR O 1 72 CYS H 2.000 . 2.300 2.073 1.816 2.272 . 0 0 "[ . 1 . 2 . ]" 3
22 1 58 THR O 1 72 CYS N 3.000 2.500 3.300 2.981 2.751 3.140 . 0 0 "[ . 1 . 2 . ]" 3
23 1 60 CYS H 1 70 ASP O 2.000 . 2.300 2.310 2.103 2.363 0.063 22 0 "[ . 1 . 2 . ]" 3
24 1 60 CYS N 1 70 ASP O 3.000 2.500 3.300 3.122 2.928 3.204 . 0 0 "[ . 1 . 2 . ]" 3
25 1 57 GLY H 1 72 CYS O 2.000 . 2.300 2.320 2.290 2.338 0.038 12 0 "[ . 1 . 2 . ]" 3
26 1 57 GLY N 1 72 CYS O 3.000 2.500 3.300 3.195 3.148 3.241 . 0 0 "[ . 1 . 2 . ]" 3
27 1 47 CYS H 1 77 SER O 2.000 . 2.300 2.288 2.028 2.340 0.040 8 0 "[ . 1 . 2 . ]" 3
28 1 47 CYS N 1 77 SER O 3.000 2.500 3.300 3.225 3.000 3.287 . 0 0 "[ . 1 . 2 . ]" 3
29 1 71 TYR H 1 80 PRO O 2.000 . 2.300 2.185 1.957 2.365 0.065 22 0 "[ . 1 . 2 . ]" 3
30 1 71 TYR N 1 80 PRO O 3.000 2.500 3.300 2.958 2.743 3.178 . 0 0 "[ . 1 . 2 . ]" 3
stop_
save_
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