NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
370421 |
1brz   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1brz
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 63
_Distance_constraint_stats_list.Viol_count 237
_Distance_constraint_stats_list.Viol_total 528.278
_Distance_constraint_stats_list.Viol_max 0.224
_Distance_constraint_stats_list.Viol_rms 0.0198
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0045
_Distance_constraint_stats_list.Viol_average_violations_only 0.0518
_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 4 CYS 0.049 0.049 42 0 "[ . 1 . 2 . 3 . 4 ]"
1 5 LYS 0.184 0.073 32 0 "[ . 1 . 2 . 3 . 4 ]"
1 6 LYS 0.615 0.123 2 0 "[ . 1 . 2 . 3 . 4 ]"
1 7 VAL 1.453 0.144 24 0 "[ . 1 . 2 . 3 . 4 ]"
1 9 GLU 0.865 0.139 18 0 "[ . 1 . 2 . 3 . 4 ]"
1 10 ASN 1.782 0.144 24 0 "[ . 1 . 2 . 3 . 4 ]"
1 11 TYR 0.301 0.062 11 0 "[ . 1 . 2 . 3 . 4 ]"
1 13 VAL 0.887 0.205 32 0 "[ . 1 . 2 . 3 . 4 ]"
1 15 LYS 0.276 0.062 11 0 "[ . 1 . 2 . 3 . 4 ]"
1 17 GLN 0.903 0.120 13 0 "[ . 1 . 2 . 3 . 4 ]"
1 18 LEU 0.877 0.120 13 0 "[ . 1 . 2 . 3 . 4 ]"
1 19 ALA 0.079 0.035 19 0 "[ . 1 . 2 . 3 . 4 ]"
1 20 ASN 0.151 0.027 26 0 "[ . 1 . 2 . 3 . 4 ]"
1 21 GLN 0.025 0.025 13 0 "[ . 1 . 2 . 3 . 4 ]"
1 23 ASN 0.137 0.049 37 0 "[ . 1 . 2 . 3 . 4 ]"
1 24 TYR 2.412 0.224 39 0 "[ . 1 . 2 . 3 . 4 ]"
1 28 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 30 LYS 0.064 0.031 24 0 "[ . 1 . 2 . 3 . 4 ]"
1 31 HIS 0.064 0.031 24 0 "[ . 1 . 2 . 3 . 4 ]"
1 32 ALA 1.588 0.127 19 0 "[ . 1 . 2 . 3 . 4 ]"
1 34 SER 0.158 0.077 11 0 "[ . 1 . 2 . 3 . 4 ]"
1 36 GLU 0.435 0.095 8 0 "[ . 1 . 2 . 3 . 4 ]"
1 37 CYS 0.316 0.095 8 0 "[ . 1 . 2 . 3 . 4 ]"
1 38 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 39 TYR 0.542 0.118 40 0 "[ . 1 . 2 . 3 . 4 ]"
1 40 ASP 0.347 0.200 27 0 "[ . 1 . 2 . 3 . 4 ]"
1 42 LYS 0.347 0.200 27 0 "[ . 1 . 2 . 3 . 4 ]"
1 43 ARG 0.133 0.053 20 0 "[ . 1 . 2 . 3 . 4 ]"
1 45 LEU 0.945 0.118 40 0 "[ . 1 . 2 . 3 . 4 ]"
1 48 ILE 0.530 0.107 42 0 "[ . 1 . 2 . 3 . 4 ]"
1 49 CYS 1.746 0.127 19 0 "[ . 1 . 2 . 3 . 4 ]"
1 50 ASP 0.082 0.082 5 0 "[ . 1 . 2 . 3 . 4 ]"
1 51 TYR 1.233 0.142 39 0 "[ . 1 . 2 . 3 . 4 ]"
1 52 CYS 0.587 0.093 12 0 "[ . 1 . 2 . 3 . 4 ]"
1 53 GLU 0.890 0.142 39 0 "[ . 1 . 2 . 3 . 4 ]"
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 7 VAL H 1 48 ILE HA 4.132 . 5.000 4.394 3.652 4.732 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
2 1 48 ILE HA 1 48 ILE QG 3.119 . 3.500 2.461 2.159 3.228 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
3 1 7 VAL MG1 1 48 ILE HA 3.493 . 3.750 3.575 2.632 3.857 0.107 42 0 "[ . 1 . 2 . 3 . 4 ]" 1
4 1 23 ASN H 1 36 GLU HA 3.576 . 5.000 4.168 2.753 5.049 0.049 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
5 1 37 CYS HB2 1 45 LEU QD 3.321 . 5.530 3.368 2.200 4.277 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
6 1 43 ARG H 1 43 ARG HA 2.597 . 3.500 2.426 2.268 2.799 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
7 1 51 TYR HB3 1 51 TYR QE 3.613 . 5.000 4.402 4.383 4.437 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
8 1 50 ASP HA 1 51 TYR HB3 4.021 . 6.780 5.590 5.532 5.619 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
9 1 51 TYR H 1 51 TYR HB3 3.335 . 5.530 3.638 3.511 3.781 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
10 1 4 CYS HB3 1 52 CYS H 3.717 . 5.000 2.840 1.710 5.049 0.049 42 0 "[ . 1 . 2 . 3 . 4 ]" 1
11 1 4 CYS HB3 1 5 LYS H 3.665 . 5.000 3.895 1.882 4.423 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
12 1 49 CYS QB 1 50 ASP H 3.557 . 5.000 3.385 3.040 3.733 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
13 1 49 CYS QB 1 51 TYR QE 3.433 . 3.750 2.660 2.112 3.581 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
14 1 32 ALA MB 1 49 CYS QB 2.727 . 3.500 2.388 2.081 3.148 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
15 1 13 VAL H 1 13 VAL HB 3.065 . 3.500 2.982 2.255 3.705 0.205 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
16 1 9 GLU QB 1 10 ASN H 3.342 . 3.750 2.734 1.672 3.889 0.139 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
17 1 18 LEU H 1 18 LEU HB2 2.778 . 3.500 2.965 2.077 3.610 0.110 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
18 1 7 VAL H 1 7 VAL MG1 2.767 . 3.500 1.866 1.694 2.495 0.006 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
19 1 18 LEU HA 1 18 LEU QD 3.859 . 5.000 2.479 2.014 3.296 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
20 1 24 TYR QE 1 28 LEU QD 3.618 . 5.000 2.893 2.206 4.611 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
21 1 30 LYS H 1 32 ALA MB 4.353 . 5.000 4.137 3.630 4.781 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
22 1 32 ALA MB 1 50 ASP H 3.325 . 3.750 3.513 3.343 3.736 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
23 1 32 ALA MB 1 34 SER H 3.078 . 3.500 2.675 2.250 3.301 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
24 1 32 ALA MB 1 51 TYR QE 3.191 . 3.500 3.015 2.506 3.374 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
25 1 32 ALA MB 1 49 CYS HA 3.337 . 3.750 3.739 3.482 3.877 0.127 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
26 1 17 GLN H 1 45 LEU QD 4.167 . 5.000 4.633 2.957 5.079 0.079 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
27 1 37 CYS HA 1 45 LEU QD 3.990 . 5.000 4.065 3.265 5.017 0.017 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
28 1 24 TYR HA 1 24 TYR QE 4.172 . 5.000 5.009 4.735 5.224 0.224 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
29 1 51 TYR HB3 1 52 CYS H 4.512 . 6.780 3.861 2.282 4.467 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
30 1 51 TYR H 1 53 GLU H 4.639 . 5.375 4.709 2.770 5.517 0.142 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
31 1 51 TYR H 1 52 CYS H 3.133 . 3.500 2.258 1.748 3.402 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
32 1 50 ASP HA 1 51 TYR H 2.617 . 3.500 2.167 2.058 2.352 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
33 1 52 CYS H 1 53 GLU H 2.854 . 3.500 2.926 1.658 3.593 0.093 12 0 "[ . 1 . 2 . 3 . 4 ]" 1
34 1 50 ASP HA 1 52 CYS H 3.565 . 5.000 3.917 3.448 5.082 0.082 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
35 1 6 LYS H 1 51 TYR QE 3.415 . 3.750 3.634 2.777 3.873 0.123 2 0 "[ . 1 . 2 . 3 . 4 ]" 1
36 1 5 LYS HA 1 6 LYS H 2.544 . 3.500 2.204 2.136 2.359 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
37 1 49 CYS HA 1 50 ASP H 2.690 . 3.500 2.145 2.106 2.193 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
38 1 34 SER H 1 50 ASP H 3.498 . 3.750 3.298 2.740 3.670 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
39 1 5 LYS H 1 6 LYS H 4.282 . 5.000 4.336 3.681 4.565 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
40 1 30 LYS H 1 31 HIS H 2.617 . 3.500 2.151 1.669 2.765 0.031 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
41 1 49 CYS HA 1 50 ASP HA 5.265 . 5.265 4.398 4.355 4.424 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
42 1 5 LYS HA 1 50 ASP HA 3.583 . 5.000 2.398 2.232 2.713 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
43 1 36 GLU HA 1 37 CYS HB2 3.957 . 5.000 4.466 3.887 5.095 0.095 8 0 "[ . 1 . 2 . 3 . 4 ]" 1
44 1 37 CYS HA 1 38 PHE QB 4.392 . 5.000 4.223 3.910 4.464 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
45 1 18 LEU QD 1 19 ALA H . . 4.250 3.296 1.731 4.285 0.035 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
46 1 18 LEU H 1 18 LEU QD 3.613 . 5.000 3.297 1.703 4.102 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
47 1 7 VAL MG2 1 10 ASN H 3.772 . 5.000 4.678 3.122 5.144 0.144 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
48 1 20 ASN QD 1 24 TYR QE 3.731 . 5.000 4.674 3.744 5.027 0.027 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
49 1 32 ALA MB 1 51 TYR HB3 4.159 . 6.780 4.602 4.129 5.231 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
50 1 32 ALA MB 1 50 ASP HA 4.195 . 5.000 4.359 3.963 4.705 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
51 1 39 TYR HA 1 45 LEU QD 3.471 . 3.750 3.466 2.719 3.868 0.118 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
52 1 17 GLN H 1 18 LEU QD 4.671 . 5.375 4.228 1.690 5.402 0.027 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
53 1 40 ASP HB2 1 42 LYS H 3.739 . 5.000 3.864 2.230 5.200 0.200 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
54 1 11 TYR HH 1 21 GLN QB 3.935 . 5.000 2.707 1.712 5.025 0.025 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
55 1 5 LYS HA 1 51 TYR H 4.077 . 5.000 3.367 2.550 3.829 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
56 1 28 LEU H 1 30 LYS H 4.295 . 5.000 3.090 2.504 4.178 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
57 1 34 SER H 1 49 CYS HA 4.472 . 5.000 4.764 4.038 5.077 0.077 11 0 "[ . 1 . 2 . 3 . 4 ]" 1
58 1 5 LYS HA 1 51 TYR QE 3.651 . 5.000 4.604 3.724 5.073 0.073 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
59 1 36 GLU HA 1 37 CYS HA 4.129 . 5.000 4.377 4.290 4.643 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
60 1 11 TYR HH 1 15 LYS QB 4.080 . 5.000 4.732 3.340 5.062 0.062 11 0 "[ . 1 . 2 . 3 . 4 ]" 1
61 1 17 GLN H 1 18 LEU HB2 4.880 . 5.375 4.532 3.535 5.495 0.120 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
62 1 17 GLN H 1 18 LEU H 3.116 . 3.500 2.517 1.645 3.542 0.055 1 0 "[ . 1 . 2 . 3 . 4 ]" 1
63 1 43 ARG HA 1 43 ARG HE 4.593 . 5.000 4.343 1.920 5.053 0.053 20 0 "[ . 1 . 2 . 3 . 4 ]" 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 680
_Distance_constraint_stats_list.Viol_count 1476
_Distance_constraint_stats_list.Viol_total 8049.583
_Distance_constraint_stats_list.Viol_max 3.440
_Distance_constraint_stats_list.Viol_rms 0.0770
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0064
_Distance_constraint_stats_list.Viol_average_violations_only 0.1268
_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 1 PCA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 2 ASP 0.126 0.030 26 0 "[ . 1 . 2 . 3 . 4 ]"
1 3 LYS 3.225 0.199 4 0 "[ . 1 . 2 . 3 . 4 ]"
1 4 CYS 3.523 0.199 4 0 "[ . 1 . 2 . 3 . 4 ]"
1 5 LYS 3.219 0.209 19 0 "[ . 1 . 2 . 3 . 4 ]"
1 6 LYS 4.249 0.219 19 0 "[ . 1 . 2 . 3 . 4 ]"
1 7 VAL 6.095 0.219 19 0 "[ . 1 . 2 . 3 . 4 ]"
1 8 TYR 66.802 3.440 32 29 "[***** * *1** *.** ** **.** ** +**-*** 4** ]"
1 9 GLU 11.219 0.277 30 0 "[ . 1 . 2 . 3 . 4 ]"
1 10 ASN 3.407 0.277 30 0 "[ . 1 . 2 . 3 . 4 ]"
1 11 TYR 64.707 3.440 32 29 "[***** * *1** *.** ** **.** ** +**-*** 4** ]"
1 12 PRO 1.336 0.300 39 0 "[ . 1 . 2 . 3 . 4 ]"
1 13 VAL 4.970 0.300 39 0 "[ . 1 . 2 . 3 . 4 ]"
1 14 SER 2.219 0.194 10 0 "[ . 1 . 2 . 3 . 4 ]"
1 15 LYS 0.968 0.119 13 0 "[ . 1 . 2 . 3 . 4 ]"
1 16 CYS 3.009 0.219 19 0 "[ . 1 . 2 . 3 . 4 ]"
1 17 GLN 2.631 0.160 27 0 "[ . 1 . 2 . 3 . 4 ]"
1 18 LEU 6.391 0.238 27 0 "[ . 1 . 2 . 3 . 4 ]"
1 19 ALA 7.933 0.267 29 0 "[ . 1 . 2 . 3 . 4 ]"
1 20 ASN 6.861 0.267 29 0 "[ . 1 . 2 . 3 . 4 ]"
1 21 GLN 3.813 0.219 19 0 "[ . 1 . 2 . 3 . 4 ]"
1 22 CYS 4.007 0.199 4 0 "[ . 1 . 2 . 3 . 4 ]"
1 23 ASN 61.470 3.440 32 29 "[***** * *1** *.** ** **.** ** +**-*** 4** ]"
1 24 TYR 3.959 0.139 27 0 "[ . 1 . 2 . 3 . 4 ]"
1 25 ASP 11.389 0.267 29 0 "[ . 1 . 2 . 3 . 4 ]"
1 26 CYS 8.968 0.334 7 0 "[ . 1 . 2 . 3 . 4 ]"
1 27 LYS 2.033 0.125 11 0 "[ . 1 . 2 . 3 . 4 ]"
1 28 LEU 3.849 0.279 26 0 "[ . 1 . 2 . 3 . 4 ]"
1 29 ASP 0.942 0.179 26 0 "[ . 1 . 2 . 3 . 4 ]"
1 30 LYS 0.996 0.238 27 0 "[ . 1 . 2 . 3 . 4 ]"
1 31 HIS 0.769 0.279 26 0 "[ . 1 . 2 . 3 . 4 ]"
1 32 ALA 0.183 0.058 8 0 "[ . 1 . 2 . 3 . 4 ]"
1 33 ARG 6.483 0.334 7 0 "[ . 1 . 2 . 3 . 4 ]"
1 34 SER 2.080 0.175 18 0 "[ . 1 . 2 . 3 . 4 ]"
1 35 GLY 0.229 0.092 35 0 "[ . 1 . 2 . 3 . 4 ]"
1 36 GLU 1.185 0.219 19 0 "[ . 1 . 2 . 3 . 4 ]"
1 37 CYS 0.173 0.085 16 0 "[ . 1 . 2 . 3 . 4 ]"
1 38 PHE 47.642 1.818 15 36 "[****.****1****+****-***** ** **** *******]"
1 39 TYR 10.715 0.359 40 0 "[ . 1 . 2 . 3 . 4 ]"
1 40 ASP 6.451 0.339 40 0 "[ . 1 . 2 . 3 . 4 ]"
1 41 GLU 7.324 0.339 40 0 "[ . 1 . 2 . 3 . 4 ]"
1 42 LYS 4.161 0.244 37 0 "[ . 1 . 2 . 3 . 4 ]"
1 43 ARG 6.565 0.267 39 0 "[ . 1 . 2 . 3 . 4 ]"
1 44 ASN 4.497 0.359 40 0 "[ . 1 . 2 . 3 . 4 ]"
1 45 LEU 8.005 0.334 7 0 "[ . 1 . 2 . 3 . 4 ]"
1 46 GLN 48.160 1.818 15 36 "[****.****1****+****-***** ** **** *******]"
1 47 CYS 1.335 0.173 13 0 "[ . 1 . 2 . 3 . 4 ]"
1 48 ILE 2.980 0.279 16 0 "[ . 1 . 2 . 3 . 4 ]"
1 49 CYS 1.569 0.215 24 0 "[ . 1 . 2 . 3 . 4 ]"
1 50 ASP 48.630 1.818 15 36 "[****.****1****+****-***** ** **** *******]"
1 51 TYR 7.861 0.334 7 0 "[ . 1 . 2 . 3 . 4 ]"
1 52 CYS 45.644 1.818 15 36 "[****.****1****+****-***** ** **** *******]"
1 53 GLU 3.996 0.199 4 0 "[ . 1 . 2 . 3 . 4 ]"
1 54 TYR 2.630 0.199 39 0 "[ . 1 . 2 . 3 . 4 ]"
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 18 LEU HA 1 18 LEU HB3 2.908 . 4.000 2.598 2.241 2.813 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
2 1 18 LEU HA 1 19 ALA H 2.536 . 4.000 2.682 2.129 3.568 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
3 1 18 LEU HA 1 18 LEU QD 2.564 . 4.000 2.158 1.886 2.696 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
4 1 30 LYS HA 1 31 HIS H 3.423 . 4.250 3.148 2.791 3.514 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
5 1 17 GLN HB3 1 18 LEU HA 2.876 . 4.000 2.556 2.297 2.867 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
6 1 30 LYS HA 1 30 LYS QD 2.516 . 4.000 2.270 2.057 2.735 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
7 1 25 ASP HB2 1 29 ASP HA 2.550 . 4.000 2.599 2.424 2.884 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
8 1 12 PRO HA 1 13 VAL H 2.491 . 3.200 2.540 2.135 3.500 0.300 39 0 "[ . 1 . 2 . 3 . 4 ]" 2
9 1 12 PRO HA 1 13 VAL HA 3.748 . 5.500 4.332 3.998 4.698 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
10 1 12 PRO HA 1 12 PRO QG 3.487 . 4.250 3.024 2.789 3.520 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
11 1 12 PRO HA 1 13 VAL QG 3.291 . 4.250 3.632 2.825 4.271 0.021 39 0 "[ . 1 . 2 . 3 . 4 ]" 2
12 1 52 CYS HA 1 53 GLU H 2.843 . 4.000 3.193 2.264 3.569 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
13 1 4 CYS HB3 1 52 CYS HA 3.852 . 5.500 4.488 3.739 5.324 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
14 1 8 TYR HA 1 9 GLU H 2.478 . 3.200 2.654 2.141 3.453 0.253 19 0 "[ . 1 . 2 . 3 . 4 ]" 2
15 1 8 TYR HA 1 8 TYR QD 2.881 . 4.000 2.646 2.188 3.662 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
16 1 42 LYS HA 1 43 ARG H 3.294 . 4.250 3.145 2.226 3.580 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
17 1 42 LYS H 1 42 LYS HA 2.908 . 4.000 2.877 2.252 2.952 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
18 1 8 TYR HA 1 9 GLU QB 2.474 . 3.200 2.391 2.247 2.507 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
19 1 42 LYS HA 1 42 LYS QD 3.099 . 4.000 3.328 2.220 4.167 0.167 16 0 "[ . 1 . 2 . 3 . 4 ]" 2
20 1 33 ARG QG 1 42 LYS HA 2.760 . 4.000 2.381 2.087 3.130 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
21 1 42 LYS HA 1 42 LYS QG 2.894 . 4.000 2.426 2.127 3.146 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
22 1 8 TYR HA 1 9 GLU HA 3.171 . 4.000 3.476 3.369 3.600 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
23 1 10 ASN HA 1 10 ASN QD 4.326 . 5.500 3.345 1.770 4.271 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
24 1 8 TYR HA 1 10 ASN H 2.417 . 3.200 2.599 2.343 2.794 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
25 1 10 ASN HA 1 11 TYR H 3.032 . 4.000 2.835 2.118 3.621 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
26 1 1 PCA HA 1 2 ASP H 2.652 . 4.000 2.741 2.151 3.571 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
27 1 1 PCA HA 1 2 ASP H 2.540 . 4.000 2.033 1.896 2.288 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
28 1 8 TYR H 1 48 ILE HA 3.109 . 4.000 3.406 2.777 3.855 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
29 1 7 VAL HA 1 48 ILE HA 2.615 . 4.000 2.235 2.072 2.359 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
30 1 3 LYS HA 1 3 LYS QD 3.087 . 4.000 2.322 2.029 2.678 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
31 1 48 ILE HA 1 48 ILE MD 2.577 . 4.000 2.275 1.937 2.539 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
32 1 2 ASP H 1 3 LYS HA 2.370 . 3.200 2.045 1.944 2.258 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
33 1 3 LYS HA 1 3 LYS QG 2.854 . 4.000 2.454 2.007 3.413 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
34 1 22 CYS HA 1 26 CYS H 4.308 . 5.500 3.732 3.262 4.072 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
35 1 22 CYS HA 1 25 ASP H 3.719 . 5.500 3.795 3.326 4.400 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
36 1 11 TYR HH 1 22 CYS HA 3.296 . 4.250 3.165 1.862 4.189 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
37 1 22 CYS HA 1 23 ASN H 3.586 . 5.500 3.555 3.507 3.585 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
38 1 22 CYS HA 1 22 CYS QB 2.465 . 3.200 2.166 2.042 2.366 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
39 1 48 ILE HA 1 48 ILE HB 2.928 . 4.000 3.004 2.832 3.026 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
40 1 22 CYS HA 1 26 CYS HB3 3.310 . 4.250 2.645 2.201 3.516 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
41 1 53 GLU HA 1 54 TYR H 2.516 . 4.000 3.010 2.131 3.568 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
42 1 53 GLU HA 1 54 TYR QD 3.716 . 5.500 4.717 3.145 5.581 0.081 38 0 "[ . 1 . 2 . 3 . 4 ]" 2
43 1 36 GLU HA 1 37 CYS H 2.509 . 4.000 2.476 2.147 3.054 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
44 1 17 GLN H 1 17 GLN HA 2.967 . 4.000 2.819 2.268 2.954 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
45 1 17 GLN HA 1 18 LEU H 2.740 . 4.000 2.715 2.387 2.922 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
46 1 41 GLU H 1 41 GLU HA 2.912 . 4.000 2.613 2.263 2.828 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
47 1 41 GLU HA 1 41 GLU QB 2.269 . 3.000 2.351 2.150 2.549 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
48 1 45 LEU HA 1 45 LEU QD 3.001 . 4.000 2.497 1.982 3.263 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
49 1 34 SER QB 1 35 GLY H 3.008 . 4.000 2.303 1.727 3.421 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
50 1 9 GLU HA 1 10 ASN H 2.395 . 3.200 2.724 2.096 3.477 0.277 30 0 "[ . 1 . 2 . 3 . 4 ]" 2
51 1 9 GLU HA 1 11 TYR H 2.924 . 4.000 2.453 1.732 2.764 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
52 1 54 TYR HA 1 54 TYR QD 2.825 . 4.000 2.615 2.176 3.502 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
53 1 38 PHE QB 1 45 LEU HA 2.562 . 4.000 2.423 2.155 2.538 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
54 1 8 TYR QB 1 9 GLU HA 2.529 . 4.000 2.353 2.164 2.509 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
55 1 7 VAL MG2 1 9 GLU HA 2.856 . 4.000 2.865 2.197 3.370 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
56 1 11 TYR HA 1 12 PRO QD 2.516 . 4.000 2.082 2.022 2.209 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
57 1 11 TYR HA 1 12 PRO QB 3.097 . 4.000 3.443 2.879 3.701 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
58 1 33 ARG HA 1 34 SER H 3.009 . 4.000 3.000 2.619 3.088 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
59 1 14 SER HA 1 33 ARG QG 2.180 . 3.000 2.025 1.919 2.200 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
60 1 33 ARG HA 1 33 ARG QB 2.347 . 3.200 2.107 1.988 2.275 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
61 1 45 LEU HA 1 46 GLN H 2.443 . 3.200 2.218 2.069 2.502 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
62 1 54 TYR H 1 54 TYR HA 2.891 . 4.000 2.681 2.270 2.953 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
63 1 13 VAL HA 1 14 SER HA 2.321 . 3.200 2.171 2.155 2.187 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
64 1 11 TYR HA 1 13 VAL QG 3.099 . 4.000 3.000 2.283 3.615 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
65 1 8 TYR QE 1 11 TYR HA 2.768 . 4.000 3.879 2.654 4.199 0.199 39 0 "[ . 1 . 2 . 3 . 4 ]" 2
66 1 8 TYR QD 1 9 GLU HA 2.948 . 4.000 3.694 2.387 4.064 0.064 39 0 "[ . 1 . 2 . 3 . 4 ]" 2
67 1 26 CYS HA 1 30 LYS H 3.255 . 4.250 3.074 2.060 4.283 0.033 26 0 "[ . 1 . 2 . 3 . 4 ]" 2
68 1 19 ALA HA 1 20 ASN H 2.411 . 3.200 2.544 2.126 3.379 0.179 29 0 "[ . 1 . 2 . 3 . 4 ]" 2
69 1 19 ALA H 1 19 ALA HA 2.955 . 4.000 2.727 2.336 2.821 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
70 1 19 ALA HA 1 19 ALA MB 2.442 . 3.200 2.117 2.105 2.132 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
71 1 18 LEU H 1 19 ALA HA 2.902 . 4.000 2.933 2.251 3.727 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
72 1 32 ALA HA 1 51 TYR QE 3.228 . 4.000 3.163 2.375 3.980 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
73 1 26 CYS HA 1 32 ALA MB 2.344 . 3.200 2.085 1.997 2.118 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
74 1 27 LYS H 1 27 LYS HA 2.430 . 3.200 2.468 2.373 2.522 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
75 1 27 LYS HA 1 27 LYS QG 2.826 . 4.000 2.248 2.150 2.553 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
76 1 27 LYS HA 1 31 HIS H 3.350 . 4.250 3.138 2.758 3.663 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
77 1 27 LYS HA 1 29 ASP H 3.403 . 4.250 3.426 3.103 3.533 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
78 1 27 LYS HA 1 28 LEU H 2.667 . 4.000 2.376 2.292 2.546 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
79 1 27 LYS HA 1 27 LYS HB3 2.263 . 3.000 2.251 2.007 2.339 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
80 1 27 LYS HA 1 28 LEU QB 2.384 . 3.200 2.393 2.271 2.498 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
81 1 28 LEU HA 1 28 LEU QD 2.734 . 4.000 2.360 1.979 3.104 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
82 1 15 LYS HA 1 15 LYS QG 2.855 . 4.000 2.444 2.168 3.145 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
83 1 15 LYS HA 1 17 GLN H 3.741 . 5.500 4.371 2.970 5.566 0.066 27 0 "[ . 1 . 2 . 3 . 4 ]" 2
84 1 35 GLY QA 1 50 ASP H 3.748 . 5.500 2.333 1.736 3.555 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
85 1 35 GLY QA 1 49 CYS HA 2.889 . 4.000 2.278 1.999 2.585 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
86 1 7 VAL HA 1 35 GLY H 2.758 . 4.000 2.298 1.727 3.434 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
87 1 7 VAL HA 1 7 VAL MG1 2.853 . 4.000 2.603 2.408 3.000 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
88 1 7 VAL HA 1 7 VAL MG2 2.958 . 4.000 3.143 2.959 3.214 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
89 1 7 VAL HA 1 8 TYR H 2.644 . 4.000 2.230 2.138 2.368 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
90 1 7 VAL HA 1 49 CYS H 3.304 . 4.250 2.987 2.331 3.566 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
91 1 7 VAL HA 1 48 ILE QG 3.270 . 4.250 3.446 2.463 4.321 0.071 17 0 "[ . 1 . 2 . 3 . 4 ]" 2
92 1 7 VAL HA 1 48 ILE MG 2.927 . 4.000 3.695 2.505 4.070 0.070 16 0 "[ . 1 . 2 . 3 . 4 ]" 2
93 1 7 VAL HA 1 48 ILE MD 3.014 . 4.000 3.189 2.194 3.762 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
94 1 24 TYR HA 1 25 ASP H 3.662 . 5.500 3.557 3.527 3.590 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
95 1 24 TYR HA 1 27 LYS QD 3.456 . 4.250 3.561 2.833 4.241 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
96 1 24 TYR HA 1 24 TYR QD 2.157 . 3.000 2.829 2.437 3.092 0.092 36 0 "[ . 1 . 2 . 3 . 4 ]" 2
97 1 24 TYR HA 1 27 LYS HB3 2.947 . 4.000 2.544 2.182 3.224 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
98 1 21 GLN HA 1 24 TYR QD 3.530 . 5.500 2.935 2.250 4.135 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
99 1 21 GLN HA 1 25 ASP H 3.749 . 5.500 3.720 3.341 4.165 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
100 1 21 GLN H 1 21 GLN HA 2.901 . 4.000 2.646 2.408 2.799 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
101 1 21 GLN HA 1 24 TYR QB 2.800 . 4.000 3.640 2.676 4.049 0.049 35 0 "[ . 1 . 2 . 3 . 4 ]" 2
102 1 23 ASN HA 1 23 ASN HB2 2.466 . 3.200 2.625 2.408 2.834 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
103 1 11 TYR QB 1 13 VAL HA 2.845 . 5.780 2.943 2.758 3.015 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
104 1 23 ASN HA 1 26 CYS H 3.812 . 5.500 3.967 3.637 4.371 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
105 1 23 ASN HA 1 35 GLY H 2.716 . 4.000 3.204 1.822 4.050 0.050 3 0 "[ . 1 . 2 . 3 . 4 ]" 2
106 1 23 ASN HA 1 26 CYS HB2 3.004 . 4.000 3.403 2.570 4.023 0.023 36 0 "[ . 1 . 2 . 3 . 4 ]" 2
107 1 13 VAL H 1 13 VAL HA 2.917 . 4.000 2.648 2.324 2.796 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
108 1 13 VAL HA 1 15 LYS H 2.959 . 4.000 2.808 1.829 3.752 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
109 1 13 VAL HA 1 13 VAL HB 2.703 . 4.000 2.867 2.324 3.004 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
110 1 13 VAL HA 1 13 VAL QG 2.554 . 4.000 2.119 2.033 2.367 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
111 1 13 VAL HA 1 45 LEU QD 4.178 . 5.500 4.701 2.352 5.622 0.122 13 0 "[ . 1 . 2 . 3 . 4 ]" 2
112 1 37 CYS H 1 37 CYS HB2 2.905 . 4.000 2.442 2.137 2.857 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
113 1 43 ARG HA 1 44 ASN H 3.113 . 4.000 2.907 2.440 3.422 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
114 1 39 TYR QD 1 43 ARG HA 2.975 . 4.000 2.412 2.198 4.049 0.049 37 0 "[ . 1 . 2 . 3 . 4 ]" 2
115 1 39 TYR QB 1 43 ARG HA 2.666 . 4.000 3.156 2.249 4.200 0.200 40 0 "[ . 1 . 2 . 3 . 4 ]" 2
116 1 42 LYS QB 1 43 ARG HA 2.585 . 4.000 2.391 2.135 2.540 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
117 1 42 LYS H 1 43 ARG HA 3.705 . 5.500 4.408 3.868 5.428 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
118 1 52 CYS QB 1 53 GLU H 3.203 . 5.780 2.626 1.607 3.935 0.093 16 0 "[ . 1 . 2 . 3 . 4 ]" 2
119 1 52 CYS H 1 52 CYS QB 3.218 . 5.780 2.780 2.175 3.388 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
120 1 4 CYS HB3 1 52 CYS QB 4.068 . 5.500 2.923 2.218 4.696 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
121 1 31 HIS H 1 31 HIS QB 3.439 . 4.250 3.365 2.999 3.514 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
122 1 51 TYR HB3 1 51 TYR QD 2.628 . 5.780 2.334 2.278 2.459 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
123 1 51 TYR HA 1 51 TYR HB3 2.886 . 5.780 2.555 2.449 2.690 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
124 1 40 ASP HB2 1 41 GLU H 2.689 . 5.780 2.531 1.726 4.358 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
125 1 4 CYS H 1 4 CYS HB3 3.136 . 5.780 3.705 3.176 4.102 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
126 1 15 LYS H 1 16 CYS HB2 2.712 . 4.000 2.775 2.053 3.179 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
127 1 16 CYS HB2 1 17 GLN H 3.541 . 5.500 4.022 2.141 4.672 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
128 1 16 CYS HB2 1 45 LEU QD 3.577 . 5.780 2.912 2.154 4.303 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
129 1 24 TYR H 1 24 TYR QB 2.909 . 4.000 2.097 2.020 2.185 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
130 1 24 TYR QB 1 24 TYR QD 2.868 . 4.000 2.156 2.132 2.201 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
131 1 24 TYR QB 1 25 ASP H 2.868 . 4.000 2.849 2.523 3.227 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
132 1 11 TYR QE 1 16 CYS HB2 3.552 . 7.280 3.710 2.447 4.260 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
133 1 11 TYR HH 1 16 CYS HB2 3.382 . 6.030 4.603 2.735 5.342 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
134 1 24 TYR QB 1 26 CYS H 3.668 . 7.280 3.042 2.648 3.726 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
135 1 8 TYR QE 1 24 TYR QB 2.680 . 5.780 3.062 2.237 3.865 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
136 1 11 TYR QE 1 24 TYR QB 3.461 . 4.250 3.999 3.319 4.378 0.128 16 0 "[ . 1 . 2 . 3 . 4 ]" 2
137 1 54 TYR H 1 54 TYR QB 3.139 . 4.000 2.646 2.076 3.342 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
138 1 38 PHE QB 1 39 TYR H 2.754 . 4.000 2.167 1.809 2.577 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
139 1 24 TYR QB 1 24 TYR QD 2.495 . 3.200 1.909 1.896 1.929 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
140 1 38 PHE QB 1 38 PHE QD 2.664 . 4.000 2.129 2.121 2.172 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
141 1 50 ASP QB 1 52 CYS H 2.865 . 4.000 2.688 2.160 3.367 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
142 1 50 ASP QB 1 53 GLU H 3.040 . 4.000 2.482 1.606 3.775 0.094 16 0 "[ . 1 . 2 . 3 . 4 ]" 2
143 1 8 TYR QB 1 10 ASN H 3.272 . 4.250 2.723 2.104 3.464 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
144 1 8 TYR H 1 8 TYR QB 2.935 . 4.000 2.251 2.100 2.914 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
145 1 8 TYR QB 1 8 TYR QD 2.725 . 4.000 2.197 1.936 2.324 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
146 1 23 ASN H 1 23 ASN HB2 2.685 . 4.000 2.244 2.055 2.645 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
147 1 4 CYS H 1 4 CYS HB2 2.828 . 4.000 2.813 2.053 3.406 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
148 1 10 ASN HA 1 10 ASN QB 2.646 . 4.000 2.326 2.158 2.541 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
149 1 29 ASP H 1 29 ASP HB2 2.971 . 5.780 2.467 2.069 3.399 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
150 1 8 TYR QE 1 10 ASN QB 2.658 . 5.780 3.421 2.150 5.114 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
151 1 43 ARG HA 1 43 ARG QD 2.642 . 4.000 3.398 2.079 4.267 0.267 39 0 "[ . 1 . 2 . 3 . 4 ]" 2
152 1 16 CYS HB3 1 45 LEU QD 3.134 . 4.000 2.457 2.022 3.417 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
153 1 15 LYS H 1 16 CYS HB3 3.035 . 5.780 3.626 3.179 3.982 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
154 1 44 ASN H 1 44 ASN HB2 2.758 . 4.000 2.538 2.232 3.510 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
155 1 44 ASN HB2 1 45 LEU H 3.311 . 6.030 3.628 1.919 4.531 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
156 1 44 ASN HB2 1 44 ASN QD 2.750 . 4.000 2.617 2.089 3.347 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
157 1 51 TYR H 1 51 TYR HB2 3.088 . 4.000 2.412 2.279 2.661 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
158 1 51 TYR HB2 1 51 TYR QD 2.625 . 4.000 2.507 2.339 2.706 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
159 1 26 CYS H 1 26 CYS HB2 2.801 . 4.000 2.512 2.107 2.958 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
160 1 26 CYS HB2 1 27 LYS H 3.174 . 5.780 2.648 2.267 3.400 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
161 1 26 CYS HB2 1 32 ALA MB 2.971 . 4.000 3.294 2.433 3.779 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
162 1 8 TYR QD 1 11 TYR QB 2.698 . 4.000 2.847 2.159 4.034 0.034 13 0 "[ . 1 . 2 . 3 . 4 ]" 2
163 1 26 CYS HB2 1 39 TYR H 2.601 . 4.000 2.348 2.137 3.097 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
164 1 22 CYS H 1 22 CYS QB 2.799 . 4.000 2.361 2.058 3.144 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
165 1 11 TYR QB 1 11 TYR HH 3.106 . 4.000 3.452 2.047 4.061 0.061 11 0 "[ . 1 . 2 . 3 . 4 ]" 2
166 1 11 TYR H 1 11 TYR QB 2.853 . 4.000 2.610 2.032 3.216 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
167 1 25 ASP HB2 1 29 ASP H 2.559 . 4.000 3.148 2.719 3.710 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
168 1 20 ASN H 1 20 ASN QB 3.338 . 4.250 2.884 2.239 3.474 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
169 1 2 ASP H 1 2 ASP QB 2.935 . 4.000 2.814 2.136 3.444 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
170 1 8 TYR H 1 8 TYR QB 2.787 . 4.000 2.206 2.043 2.871 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
171 1 8 TYR QB 1 8 TYR QD 2.431 . 3.200 2.125 1.908 2.311 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
172 1 11 TYR QB 1 12 PRO QD 3.478 . 4.250 3.435 1.974 3.882 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
173 1 8 TYR QB 1 11 TYR H 2.550 . 4.000 2.220 1.875 2.813 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
174 1 23 ASN HB3 1 24 TYR H 2.959 . 4.000 2.055 1.740 2.734 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
175 1 23 ASN H 1 23 ASN HB3 2.769 . 5.780 2.890 2.406 3.261 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
176 1 15 LYS H 1 15 LYS QE 2.903 . 4.000 2.615 2.071 3.284 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
177 1 54 TYR QB 1 54 TYR QD 2.683 . 4.000 2.159 2.127 2.242 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
178 1 38 PHE H 1 38 PHE QB 3.045 . 4.000 2.658 2.226 3.201 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
179 1 38 PHE QB 1 39 TYR H 3.058 . 4.000 2.638 1.879 3.473 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
180 1 44 ASN H 1 44 ASN HB3 3.048 . 5.780 3.628 3.227 4.100 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
181 1 44 ASN HB3 1 45 LEU H 3.168 . 4.000 2.940 1.686 4.144 0.144 40 0 "[ . 1 . 2 . 3 . 4 ]" 2
182 1 33 ARG H 1 44 ASN HB3 3.205 . 5.780 2.795 2.094 3.313 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
183 1 21 GLN QE 1 21 GLN QG 2.875 . 4.000 2.345 2.069 2.747 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
184 1 11 TYR HH 1 21 GLN QG 3.127 . 4.000 3.142 1.740 4.037 0.037 14 0 "[ . 1 . 2 . 3 . 4 ]" 2
185 1 2 ASP H 1 2 ASP QB 2.616 . 4.000 2.043 1.670 2.431 0.030 26 0 "[ . 1 . 2 . 3 . 4 ]" 2
186 1 8 TYR H 1 47 CYS HB3 2.978 . 5.780 3.142 2.770 3.568 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
187 1 22 CYS QB 1 23 ASN H 3.147 . 4.000 2.342 1.794 2.829 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
188 1 22 CYS QB 1 37 CYS HA 2.744 . 4.000 2.629 2.295 2.856 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
189 1 37 CYS HB3 1 38 PHE H 3.219 . 4.000 3.357 2.562 4.035 0.035 29 0 "[ . 1 . 2 . 3 . 4 ]" 2
190 1 22 CYS QB 1 37 CYS H 3.084 . 5.780 3.253 2.630 3.640 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
191 1 37 CYS HB3 1 45 LEU QD 3.459 . 4.000 2.431 1.972 3.125 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
192 1 21 GLN H 1 21 GLN QB 2.869 . 4.000 2.378 2.040 3.035 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
193 1 17 GLN H 1 17 GLN QG 2.935 . 4.000 3.005 1.736 4.033 0.033 6 0 "[ . 1 . 2 . 3 . 4 ]" 2
194 1 17 GLN H 1 17 GLN QG 3.167 . 4.000 2.922 1.736 3.912 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
195 1 9 GLU QG 1 10 ASN H 3.566 . 5.500 3.831 1.758 4.739 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
196 1 9 GLU H 1 9 GLU QG 2.947 . 4.000 2.470 1.675 4.051 0.051 23 0 "[ . 1 . 2 . 3 . 4 ]" 2
197 1 30 LYS H 1 30 LYS HB2 3.137 . 5.780 2.637 2.255 2.912 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
198 1 41 GLU H 1 41 GLU QB 3.237 . 4.000 2.618 2.029 3.507 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
199 1 46 GLN QB 1 46 GLN QE 2.903 . 4.000 2.713 1.701 3.649 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
200 1 7 VAL MG1 1 41 GLU QB 3.653 . 5.500 3.648 2.619 4.820 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
201 1 46 GLN QB 1 48 ILE MG 3.235 . 4.000 3.686 3.072 4.070 0.070 17 0 "[ . 1 . 2 . 3 . 4 ]" 2
202 1 46 GLN H 1 46 GLN QB 3.281 . 4.250 2.553 2.157 3.245 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
203 1 50 ASP H 1 50 ASP QB 3.093 . 4.000 2.355 2.192 2.826 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
204 1 26 CYS H 1 26 CYS HB3 3.131 . 5.780 3.570 3.358 3.618 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
205 1 26 CYS HB3 1 27 LYS H 2.919 . 4.000 3.327 2.806 3.587 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
206 1 17 GLN H 1 17 GLN HB3 3.056 . 5.780 3.608 2.784 4.029 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
207 1 38 PHE QE 1 48 ILE HB 3.224 . 4.000 3.603 2.419 4.070 0.070 24 0 "[ . 1 . 2 . 3 . 4 ]" 2
208 1 48 ILE H 1 48 ILE HB 2.967 . 4.000 2.502 2.225 3.375 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
209 1 38 PHE QD 1 48 ILE HB 2.951 . 4.000 2.670 2.271 3.643 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
210 1 48 ILE HB 1 48 ILE MD 2.377 . 3.200 2.025 1.908 2.095 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
211 1 8 TYR QD 1 30 LYS QE 3.436 . 4.250 3.261 2.240 4.267 0.017 41 0 "[ . 1 . 2 . 3 . 4 ]" 2
212 1 9 GLU H 1 9 GLU QB 3.033 . 4.000 2.945 2.580 3.524 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
213 1 42 LYS QB 1 44 ASN QD 3.584 . 5.500 3.165 1.801 4.558 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
214 1 12 PRO QB 1 13 VAL H 2.777 . 4.000 2.409 1.697 3.175 0.003 2 0 "[ . 1 . 2 . 3 . 4 ]" 2
215 1 8 TYR H 1 46 GLN QG 2.954 . 4.000 3.558 2.396 4.066 0.066 22 0 "[ . 1 . 2 . 3 . 4 ]" 2
216 1 7 VAL H 1 7 VAL HB 2.611 . 4.000 3.575 3.427 3.996 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
217 1 7 VAL HB 1 7 VAL MG1 2.493 . 3.200 2.115 2.099 2.127 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
218 1 36 GLU QB 1 37 CYS H 2.698 . 4.000 2.738 1.739 3.595 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
219 1 7 VAL HB 1 18 LEU H 2.933 . 4.000 2.609 2.044 4.003 0.003 2 0 "[ . 1 . 2 . 3 . 4 ]" 2
220 1 21 GLN QB 1 24 TYR QD 3.261 . 4.250 3.393 2.682 4.309 0.059 11 0 "[ . 1 . 2 . 3 . 4 ]" 2
221 1 7 VAL HB 1 24 TYR QD 3.102 . 4.000 3.504 2.612 4.037 0.037 3 0 "[ . 1 . 2 . 3 . 4 ]" 2
222 1 16 CYS H 1 17 GLN HB2 3.099 . 4.000 2.810 1.701 3.856 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
223 1 17 GLN H 1 17 GLN HB2 2.792 . 4.000 2.743 2.119 3.820 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
224 1 53 GLU H 1 53 GLU QB 3.362 . 4.000 2.870 2.206 3.514 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
225 1 18 LEU HB2 1 19 ALA H 3.776 . 7.280 3.517 1.939 4.658 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
226 1 15 LYS H 1 15 LYS QB 3.233 . 4.000 2.369 1.679 3.167 0.021 32 0 "[ . 1 . 2 . 3 . 4 ]" 2
227 1 6 LYS QB 1 51 TYR QE 2.987 . 4.000 2.746 1.988 4.054 0.054 11 0 "[ . 1 . 2 . 3 . 4 ]" 2
228 1 3 LYS QB 1 5 LYS H 4.185 . 5.500 3.632 2.411 4.907 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
229 1 6 LYS QB 1 7 VAL H 3.572 . 5.500 3.247 1.750 3.877 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
230 1 2 ASP H 1 3 LYS QB 2.837 . 4.000 2.263 1.947 2.550 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
231 1 8 TYR H 1 46 GLN QB 3.549 . 5.500 2.765 1.978 3.511 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
232 1 6 LYS QB 1 38 PHE QE 2.884 . 4.000 2.475 2.042 3.974 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
233 1 36 GLU H 1 36 GLU QB 3.161 . 4.000 2.684 1.790 3.346 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
234 1 6 LYS H 1 6 LYS QB 3.203 . 4.000 2.861 2.294 3.315 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
235 1 42 LYS H 1 42 LYS QB 2.851 . 4.000 2.557 2.175 3.400 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
236 1 42 LYS QB 1 44 ASN QD 3.594 . 5.500 3.362 1.802 5.181 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
237 1 2 ASP H 1 3 LYS QB 2.807 . 4.000 2.670 2.092 3.370 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
238 1 3 LYS QB 1 5 LYS H 2.909 . 4.000 2.656 2.038 3.052 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
239 1 12 PRO QB 1 15 LYS H 3.085 . 4.000 2.801 1.701 3.968 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
240 1 27 LYS H 1 27 LYS HB3 2.663 . 4.000 2.921 2.458 3.275 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
241 1 18 LEU H 1 18 LEU HG 2.967 . 4.000 3.649 1.957 4.214 0.214 27 0 "[ . 1 . 2 . 3 . 4 ]" 2
242 1 8 TYR H 1 47 CYS HB2 2.801 . 4.000 2.208 2.045 2.816 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
243 1 27 LYS HB3 1 28 LEU H 2.556 . 4.000 2.706 1.932 2.817 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
244 1 28 LEU QB 1 29 ASP H 2.871 . 4.000 2.507 1.696 2.999 0.004 18 0 "[ . 1 . 2 . 3 . 4 ]" 2
245 1 48 ILE H 1 48 ILE QG 3.203 . 4.000 2.704 1.725 3.947 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
246 1 38 PHE QD 1 48 ILE QG 3.117 . 4.000 2.712 2.143 3.699 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
247 1 28 LEU H 1 28 LEU HG 3.901 . 5.500 4.821 4.398 5.251 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
248 1 28 LEU HA 1 28 LEU HG 3.297 . 4.250 2.968 2.276 3.758 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
249 1 18 LEU H 1 18 LEU HB3 3.113 . 5.780 3.794 3.351 4.030 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
250 1 18 LEU HB3 1 19 ALA H 3.470 . 4.250 2.996 1.668 4.408 0.158 21 0 "[ . 1 . 2 . 3 . 4 ]" 2
251 1 43 ARG HA 1 43 ARG QG 3.450 . 4.000 2.576 2.144 3.477 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
252 1 23 ASN QD 1 27 LYS QD 3.351 . 4.250 2.813 2.017 3.773 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
253 1 45 LEU H 1 45 LEU QB 2.885 . 4.000 2.638 2.148 3.449 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
254 1 5 LYS HA 1 5 LYS QD 2.552 . 4.000 3.540 2.219 4.209 0.209 19 0 "[ . 1 . 2 . 3 . 4 ]" 2
255 1 5 LYS H 1 5 LYS QD 2.942 . 4.000 3.241 1.719 4.056 0.056 9 0 "[ . 1 . 2 . 3 . 4 ]" 2
256 1 24 TYR QE 1 28 LEU QB 2.985 . 4.000 3.141 2.408 3.844 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
257 1 28 LEU H 1 28 LEU QB 2.426 . 3.200 2.661 2.066 2.803 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
258 1 32 ALA MB 1 33 ARG QB 3.192 . 4.000 3.837 3.460 4.058 0.058 8 0 "[ . 1 . 2 . 3 . 4 ]" 2
259 1 28 LEU QB 1 31 HIS H 3.079 . 4.000 2.365 1.704 2.877 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
260 1 27 LYS H 1 27 LYS HB2 2.898 . 5.780 2.195 2.008 2.564 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
261 1 19 ALA MB 1 20 ASN H 3.007 . 4.000 3.062 1.698 3.718 0.002 38 0 "[ . 1 . 2 . 3 . 4 ]" 2
262 1 19 ALA H 1 19 ALA MB 2.567 . 4.000 2.536 2.112 3.123 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
263 1 18 LEU HA 1 19 ALA MB 3.581 . 5.500 4.049 3.777 4.685 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
264 1 19 ALA MB 1 20 ASN QD 3.658 . 5.500 5.379 4.808 5.565 0.065 1 0 "[ . 1 . 2 . 3 . 4 ]" 2
265 1 42 LYS H 1 42 LYS QG 3.336 . 4.250 3.609 2.145 4.299 0.049 27 0 "[ . 1 . 2 . 3 . 4 ]" 2
266 1 6 LYS QG 1 51 TYR QE 3.395 . 4.250 3.087 2.024 4.222 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
267 1 5 LYS HA 1 5 LYS QG 2.786 . 4.000 2.987 2.192 3.502 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
268 1 39 TYR QE 1 45 LEU QB 2.987 . 4.000 3.160 2.282 4.144 0.144 40 0 "[ . 1 . 2 . 3 . 4 ]" 2
269 1 45 LEU H 1 45 LEU QB 2.626 . 4.000 2.468 1.699 3.134 0.001 25 0 "[ . 1 . 2 . 3 . 4 ]" 2
270 1 33 ARG HE 1 33 ARG QG 3.043 . 4.000 2.599 2.129 3.369 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
271 1 33 ARG H 1 33 ARG QG 3.070 . 4.000 3.763 2.683 4.135 0.135 36 0 "[ . 1 . 2 . 3 . 4 ]" 2
272 1 8 TYR QD 1 30 LYS QD 3.261 . 4.250 3.409 2.179 4.304 0.054 16 0 "[ . 1 . 2 . 3 . 4 ]" 2
273 1 30 LYS H 1 30 LYS QD 3.164 . 4.000 2.930 1.878 3.629 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
274 1 15 LYS H 1 15 LYS QG 3.300 . 4.250 2.853 1.965 3.934 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
275 1 27 LYS H 1 27 LYS QG 3.237 . 4.000 3.723 3.391 3.978 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
276 1 13 VAL QG 1 47 CYS H 3.742 . 5.500 4.658 3.113 5.521 0.021 33 0 "[ . 1 . 2 . 3 . 4 ]" 2
277 1 13 VAL QG 1 45 LEU QD 3.567 . 4.000 2.895 1.857 4.069 0.069 12 0 "[ . 1 . 2 . 3 . 4 ]" 2
278 1 13 VAL QG 1 14 SER H 2.980 . 4.000 3.002 1.550 3.680 0.150 11 0 "[ . 1 . 2 . 3 . 4 ]" 2
279 1 13 VAL H 1 13 VAL QG 2.555 . 4.000 2.211 1.656 3.351 0.044 12 0 "[ . 1 . 2 . 3 . 4 ]" 2
280 1 13 VAL QG 1 15 LYS H 3.878 . 5.500 4.472 1.720 5.580 0.080 24 0 "[ . 1 . 2 . 3 . 4 ]" 2
281 1 13 VAL QG 1 45 LEU H 3.803 . 5.500 3.444 1.837 5.268 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
282 1 7 VAL MG1 1 8 TYR H 3.454 . 4.250 4.142 3.687 4.309 0.059 28 0 "[ . 1 . 2 . 3 . 4 ]" 2
283 1 7 VAL MG1 1 46 GLN QE 4.029 . 5.500 4.136 2.150 5.506 0.006 1 0 "[ . 1 . 2 . 3 . 4 ]" 2
284 1 7 VAL MG2 1 48 ILE HA 3.638 . 5.500 4.862 3.788 5.117 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
285 1 7 VAL MG2 1 8 TYR H 3.044 . 4.000 3.213 2.164 3.774 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
286 1 7 VAL H 1 7 VAL MG2 3.387 . 4.250 2.742 2.309 3.502 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
287 1 48 ILE H 1 48 ILE MD 3.477 . 4.250 3.147 1.692 3.652 0.008 41 0 "[ . 1 . 2 . 3 . 4 ]" 2
288 1 46 GLN H 1 48 ILE MD 2.958 . 4.000 2.736 1.960 3.239 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
289 1 38 PHE QE 1 48 ILE MD 3.290 . 4.250 3.563 2.378 4.206 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
290 1 5 LYS HA 1 48 ILE MG 3.150 . 4.000 3.548 2.964 4.063 0.063 16 0 "[ . 1 . 2 . 3 . 4 ]" 2
291 1 6 LYS H 1 48 ILE MD 3.034 . 4.000 3.086 2.528 4.016 0.016 1 0 "[ . 1 . 2 . 3 . 4 ]" 2
292 1 38 PHE QD 1 48 ILE MD 2.903 . 4.000 2.813 2.009 4.279 0.279 16 0 "[ . 1 . 2 . 3 . 4 ]" 2
293 1 26 CYS H 1 32 ALA MB 4.191 . 5.500 4.923 4.521 5.353 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
294 1 32 ALA MB 1 33 ARG H 2.800 . 4.000 2.097 1.684 2.422 0.016 36 0 "[ . 1 . 2 . 3 . 4 ]" 2
295 1 27 LYS H 1 32 ALA MB 2.711 . 4.000 2.224 2.066 2.297 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
296 1 32 ALA MB 1 51 TYR QD 3.394 . 4.250 3.204 2.834 3.782 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
297 1 31 HIS H 1 32 ALA MB 3.945 . 5.500 4.301 3.500 4.589 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
298 1 45 LEU H 1 45 LEU QD 3.692 . 5.500 3.212 1.658 4.045 0.042 8 0 "[ . 1 . 2 . 3 . 4 ]" 2
299 1 39 TYR QD 1 45 LEU QD 3.658 . 5.500 2.947 2.278 3.764 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
300 1 39 TYR QE 1 45 LEU QD 3.395 . 4.250 2.637 1.986 4.157 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
301 1 37 CYS H 1 45 LEU QD 4.253 . 5.500 3.754 2.862 4.885 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
302 1 38 PHE H 1 45 LEU QD 3.672 . 5.500 3.583 2.380 5.463 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
303 1 14 SER H 1 45 LEU QD 3.276 . 4.250 3.269 1.939 4.381 0.131 24 0 "[ . 1 . 2 . 3 . 4 ]" 2
304 1 29 ASP HA 1 29 ASP HB2 2.659 . 5.780 2.997 2.842 3.028 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
305 1 12 PRO HA 1 14 SER H 3.936 . 5.500 4.593 3.090 5.638 0.138 15 0 "[ . 1 . 2 . 3 . 4 ]" 2
306 1 12 PRO HA 1 13 VAL HB 3.627 . 5.500 4.725 3.968 5.391 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
307 1 8 TYR HA 1 8 TYR QE 3.511 . 5.500 4.558 4.199 5.621 0.121 18 0 "[ . 1 . 2 . 3 . 4 ]" 2
308 1 8 TYR HA 1 30 LYS QE 3.151 . 4.000 3.358 2.168 4.069 0.069 24 0 "[ . 1 . 2 . 3 . 4 ]" 2
309 1 7 VAL MG2 1 8 TYR HA 3.554 . 5.500 3.905 3.476 4.390 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
310 1 22 CYS HA 1 24 TYR QB 3.398 . 6.030 3.865 3.532 4.584 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
311 1 51 TYR HA 1 51 TYR HB2 2.858 . 4.000 3.005 2.972 3.019 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
312 1 32 ALA MB 1 51 TYR HA 3.435 . 4.250 3.092 2.340 3.770 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
313 1 33 ARG H 1 51 TYR HA 2.634 . 4.000 2.270 1.774 3.008 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
314 1 8 TYR QD 1 9 GLU HA 3.062 . 4.000 3.911 2.393 4.235 0.235 39 0 "[ . 1 . 2 . 3 . 4 ]" 2
315 1 39 TYR QD 1 45 LEU HA 3.314 . 4.250 3.856 2.773 4.283 0.033 10 0 "[ . 1 . 2 . 3 . 4 ]" 2
316 1 32 ALA HA 1 33 ARG H 2.649 . 4.000 2.698 2.517 3.217 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
317 1 35 GLY QA 1 36 GLU H 3.110 . 4.000 2.251 2.116 2.383 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
318 1 23 ASN HA 1 35 GLY QA 3.652 . 5.500 3.104 2.217 4.034 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
319 1 6 LYS QB 1 7 VAL HA 4.207 . 5.500 4.017 3.606 4.535 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
320 1 7 VAL HA 1 8 TYR QB 3.143 . 4.000 3.985 3.826 4.175 0.175 18 0 "[ . 1 . 2 . 3 . 4 ]" 2
321 1 34 SER H 1 34 SER QB 3.660 . 5.500 3.292 2.696 3.522 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
322 1 21 GLN H 1 24 TYR HA 4.083 . 5.500 3.529 3.204 3.876 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
323 1 14 SER H 1 14 SER QB 2.710 . 4.000 2.588 2.006 3.112 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
324 1 21 GLN HA 1 21 GLN QE 3.545 . 5.500 2.211 1.748 3.451 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
325 1 21 GLN HA 1 21 GLN QG 3.396 . 4.250 2.665 2.256 3.258 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
326 1 21 GLN HA 1 24 TYR H 3.192 . 4.000 3.437 3.363 3.480 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
327 1 21 GLN HA 1 21 GLN QG 3.287 . 6.030 2.651 2.254 3.212 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
328 1 21 GLN HA 1 23 ASN H 2.997 . 4.000 2.752 2.732 2.797 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
329 1 37 CYS HB2 1 38 PHE H 3.530 . 7.280 4.244 3.654 4.644 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
330 1 11 TYR H 1 12 PRO QD 3.943 . 5.500 3.934 2.601 4.464 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
331 1 40 ASP H 1 40 ASP HB2 3.909 . 5.500 3.812 3.357 4.065 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
332 1 8 TYR QD 1 25 ASP HB3 3.952 . 7.280 4.302 2.601 6.708 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
333 1 20 ASN QD 1 24 TYR QB 2.762 . 4.000 2.006 1.623 2.176 0.077 43 0 "[ . 1 . 2 . 3 . 4 ]" 2
334 1 9 GLU H 1 11 TYR QB 2.999 . 4.000 2.391 2.102 2.940 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
335 1 8 TYR QE 1 11 TYR QB 2.655 . 4.000 2.961 1.932 4.099 0.099 10 0 "[ . 1 . 2 . 3 . 4 ]" 2
336 1 8 TYR QB 1 22 CYS HA 3.157 . 5.780 3.859 3.520 4.419 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
337 1 44 ASN HB3 1 46 GLN QE 4.017 . 7.280 5.077 2.180 7.315 0.035 26 0 "[ . 1 . 2 . 3 . 4 ]" 2
338 1 22 CYS QB 1 48 ILE H 3.639 . 5.500 3.554 2.767 3.957 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
339 1 41 GLU H 1 41 GLU QG 3.886 . 5.500 2.925 1.733 4.493 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
340 1 8 TYR QD 1 9 GLU QG 4.260 . 5.500 3.886 2.449 4.881 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
341 1 7 VAL MG1 1 9 GLU QG 4.757 . 5.875 5.439 4.283 5.954 0.079 14 0 "[ . 1 . 2 . 3 . 4 ]" 2
342 1 26 CYS HB3 1 51 TYR QE 3.429 . 4.250 3.618 2.402 4.279 0.029 5 0 "[ . 1 . 2 . 3 . 4 ]" 2
343 1 36 GLU H 1 48 ILE HB 4.037 . 5.500 3.330 2.630 4.067 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
344 1 41 GLU QB 1 42 LYS H 3.513 . 5.500 3.372 1.747 4.029 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
345 1 3 LYS QB 1 4 CYS H 4.247 . 5.500 3.202 1.730 4.041 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
346 1 36 GLU QB 1 38 PHE QD 3.758 . 5.500 3.513 2.692 4.944 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
347 1 36 GLU QB 1 38 PHE HZ 3.572 . 5.500 3.745 2.623 5.652 0.152 16 0 "[ . 1 . 2 . 3 . 4 ]" 2
348 1 35 GLY H 1 36 GLU QB 3.729 . 5.500 3.103 2.337 3.785 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
349 1 42 LYS QB 1 43 ARG H 3.994 . 5.500 3.119 1.751 4.042 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
350 1 3 LYS QB 1 4 CYS H 3.902 . 5.500 3.039 1.729 3.782 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
351 1 12 PRO QB 1 13 VAL HA 3.638 . 5.500 3.589 2.652 4.273 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
352 1 12 PRO QB 1 13 VAL H 3.537 . 5.500 3.353 1.691 3.754 0.009 31 0 "[ . 1 . 2 . 3 . 4 ]" 2
353 1 28 LEU HG 1 29 ASP HA 3.666 . 5.500 4.608 3.467 5.522 0.022 32 0 "[ . 1 . 2 . 3 . 4 ]" 2
354 1 43 ARG HE 1 43 ARG QG 3.575 . 4.000 2.584 2.111 3.357 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
355 1 5 LYS QD 1 6 LYS H 2.843 . 4.000 3.730 2.374 4.175 0.175 27 0 "[ . 1 . 2 . 3 . 4 ]" 2
356 1 5 LYS HA 1 5 LYS QG 3.334 . 4.250 2.839 2.181 3.449 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
357 1 39 TYR QD 1 45 LEU QB 3.386 . 4.250 3.239 2.235 4.189 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
358 1 33 ARG QB 1 34 SER H 3.241 . 4.000 2.706 2.108 3.288 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
359 1 16 CYS H 1 45 LEU QD 4.229 . 5.500 4.515 3.556 5.433 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
360 1 22 CYS QB 1 36 GLU HA 3.507 . 5.500 3.254 2.146 4.757 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
361 1 21 GLN HA 1 21 GLN QE 3.790 . 5.500 2.208 1.748 3.431 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
362 1 52 CYS QB 1 54 TYR H 4.359 . 5.500 4.076 2.151 5.129 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
363 1 8 TYR QB 1 8 TYR QE 3.057 . 4.000 3.140 1.943 3.517 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
364 1 16 CYS H 1 17 GLN QG 3.899 . 5.500 3.546 2.199 4.775 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
365 1 13 VAL HB 1 14 SER H 3.280 . 4.250 3.714 1.695 4.444 0.194 10 0 "[ . 1 . 2 . 3 . 4 ]" 2
366 1 28 LEU HG 1 29 ASP H 4.392 . 5.500 4.099 1.823 4.966 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
367 1 39 TYR QE 1 43 ARG QG 3.417 . 4.250 3.324 2.278 4.364 0.114 38 0 "[ . 1 . 2 . 3 . 4 ]" 2
368 1 11 TYR HH 1 21 GLN QE 3.974 . 5.500 4.373 2.230 5.532 0.032 40 0 "[ . 1 . 2 . 3 . 4 ]" 2
369 1 51 TYR H 1 51 TYR QD 2.891 . 4.000 2.597 2.089 3.198 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
370 1 10 ASN H 1 11 TYR H 3.045 . 4.000 3.343 1.658 4.142 0.142 24 0 "[ . 1 . 2 . 3 . 4 ]" 2
371 1 10 ASN H 1 10 ASN QD 3.125 . 4.000 2.637 1.730 2.877 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
372 1 9 GLU H 1 10 ASN H 3.145 . 4.000 2.876 1.599 3.123 0.101 23 0 "[ . 1 . 2 . 3 . 4 ]" 2
373 1 8 TYR H 1 8 TYR QD 3.522 . 5.500 3.968 1.688 4.180 0.012 35 0 "[ . 1 . 2 . 3 . 4 ]" 2
374 1 19 ALA H 1 20 ASN H 3.872 . 5.500 3.685 1.612 4.583 0.088 29 0 "[ . 1 . 2 . 3 . 4 ]" 2
375 1 20 ASN H 1 21 GLN H 3.177 . 4.000 3.450 1.960 4.085 0.085 1 0 "[ . 1 . 2 . 3 . 4 ]" 2
376 1 8 TYR QD 1 9 GLU H 3.203 . 4.000 3.366 2.218 4.148 0.148 27 0 "[ . 1 . 2 . 3 . 4 ]" 2
377 1 24 TYR H 1 25 ASP H 3.304 . 4.250 2.874 2.708 3.069 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
378 1 38 PHE H 1 46 GLN H 3.356 . 4.250 2.817 2.053 4.080 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
379 1 37 CYS HA 1 38 PHE H 2.550 . 4.000 2.205 2.146 2.328 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
380 1 41 GLU H 1 42 LYS H 3.070 . 4.000 3.127 1.614 4.058 0.086 40 0 "[ . 1 . 2 . 3 . 4 ]" 2
381 1 28 LEU H 1 29 ASP H 3.140 . 4.000 2.272 1.657 4.002 0.043 40 0 "[ . 1 . 2 . 3 . 4 ]" 2
382 1 29 ASP H 1 30 LYS H 2.894 . 4.000 2.832 2.487 4.040 0.040 18 0 "[ . 1 . 2 . 3 . 4 ]" 2
383 1 7 VAL H 1 8 TYR H 4.913 . 5.875 4.590 4.325 4.641 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
384 1 38 PHE QD 1 39 TYR H 3.640 . 5.500 3.461 2.929 4.134 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
385 1 39 TYR H 1 39 TYR QD 3.078 . 4.000 2.529 1.739 3.322 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
386 1 43 ARG H 1 44 ASN H 2.959 . 4.000 2.562 1.566 3.433 0.134 39 0 "[ . 1 . 2 . 3 . 4 ]" 2
387 1 37 CYS HA 1 48 ILE H 3.168 . 4.000 2.876 1.994 3.851 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
388 1 4 CYS H 1 5 LYS H 2.898 . 4.000 2.247 1.571 3.287 0.129 27 0 "[ . 1 . 2 . 3 . 4 ]" 2
389 1 13 VAL H 1 14 SER H 3.369 . 4.250 3.354 1.657 4.332 0.082 7 0 "[ . 1 . 2 . 3 . 4 ]" 2
390 1 14 SER H 1 15 LYS H 3.074 . 4.000 3.068 1.671 4.095 0.095 30 0 "[ . 1 . 2 . 3 . 4 ]" 2
391 1 53 GLU H 1 54 TYR H 3.995 . 5.500 3.436 1.630 4.504 0.070 12 0 "[ . 1 . 2 . 3 . 4 ]" 2
392 1 42 LYS H 1 43 ARG H 2.626 . 4.000 2.523 1.633 3.548 0.067 13 0 "[ . 1 . 2 . 3 . 4 ]" 2
393 1 35 GLY H 1 36 GLU H 3.069 . 4.000 2.829 2.027 3.406 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
394 1 33 ARG H 1 34 SER H 2.935 . 4.000 2.123 1.666 2.429 0.034 30 0 "[ . 1 . 2 . 3 . 4 ]" 2
395 1 33 ARG H 1 38 PHE QE 3.592 . 5.500 3.732 2.862 4.288 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
396 1 33 ARG H 1 49 CYS HA 3.565 . 5.500 3.738 3.349 4.030 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
397 1 27 LYS H 1 28 LEU H 3.106 . 4.000 2.782 2.603 2.896 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
398 1 23 ASN QD 1 24 TYR H 4.166 . 5.500 3.812 2.391 4.691 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
399 1 24 TYR H 1 24 TYR QD 3.430 . 4.250 3.937 3.584 4.149 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
400 1 42 LYS H 1 44 ASN H 3.238 . 4.000 3.658 2.749 4.244 0.244 37 0 "[ . 1 . 2 . 3 . 4 ]" 2
401 1 22 CYS H 1 23 ASN H 3.218 . 4.000 2.827 2.251 3.231 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
402 1 21 GLN QE 1 24 TYR QD 3.550 . 4.000 3.434 2.324 4.120 0.120 36 0 "[ . 1 . 2 . 3 . 4 ]" 2
403 1 16 CYS H 1 17 GLN H 2.943 . 4.000 2.884 1.544 4.115 0.156 10 0 "[ . 1 . 2 . 3 . 4 ]" 2
404 1 54 TYR H 1 54 TYR QD 3.069 . 4.000 3.269 1.871 4.159 0.159 17 0 "[ . 1 . 2 . 3 . 4 ]" 2
405 1 21 GLN H 1 22 CYS H 3.231 . 4.000 3.478 2.910 4.088 0.088 18 0 "[ . 1 . 2 . 3 . 4 ]" 2
406 1 8 TYR QD 1 11 TYR H 2.262 . 3.000 4.232 1.871 6.440 3.440 32 29 "[***** * *1** *.** ** **.** ** +**-*** 4** ]" 2
407 1 37 CYS HA 1 38 PHE QD 3.783 . 5.500 4.043 3.205 4.798 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
408 1 29 ASP H 1 31 HIS H 3.703 . 5.500 3.812 3.293 5.679 0.179 26 0 "[ . 1 . 2 . 3 . 4 ]" 2
409 1 11 TYR HH 1 25 ASP H 4.176 . 5.500 5.333 4.508 5.553 0.053 10 0 "[ . 1 . 2 . 3 . 4 ]" 2
410 1 8 TYR QD 1 10 ASN H 3.879 . 5.500 3.816 1.821 5.197 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
411 1 8 TYR QE 1 9 GLU H 3.490 . 4.250 4.215 3.720 4.389 0.139 27 0 "[ . 1 . 2 . 3 . 4 ]" 2
412 1 6 LYS H 1 51 TYR QD 3.437 . 4.250 3.623 2.562 4.109 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
413 1 18 LEU H 1 19 ALA H 3.802 . 5.500 3.743 1.657 4.592 0.043 27 0 "[ . 1 . 2 . 3 . 4 ]" 2
414 1 39 TYR QD 1 43 ARG H 3.357 . 4.250 4.114 2.152 4.447 0.197 38 0 "[ . 1 . 2 . 3 . 4 ]" 2
415 1 27 LYS H 1 30 LYS H 3.789 . 5.500 3.387 2.988 4.018 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
416 1 31 HIS H 1 32 ALA H 2.926 . 4.000 2.783 2.280 3.114 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
417 1 38 PHE QD 1 48 ILE H 3.970 . 5.500 3.829 2.669 5.179 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
418 1 8 TYR HA 1 9 GLU QG 3.441 . 4.250 3.467 3.007 4.208 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
419 1 6 LYS H 1 48 ILE HA 4.374 . 5.500 4.451 3.757 5.552 0.052 1 0 "[ . 1 . 2 . 3 . 4 ]" 2
420 1 11 TYR QE 1 22 CYS HA 3.654 . 5.500 3.757 2.223 4.656 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
421 1 3 LYS HA 1 4 CYS HB3 4.441 . 7.280 5.542 5.183 6.301 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
422 1 52 CYS H 1 53 GLU HA 4.605 . 5.500 4.638 3.901 5.528 0.028 33 0 "[ . 1 . 2 . 3 . 4 ]" 2
423 1 51 TYR HA 1 52 CYS H 3.523 . 5.500 3.334 2.506 3.539 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
424 1 41 GLU HA 1 42 LYS H 3.330 . 4.250 3.141 2.385 3.576 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
425 1 50 ASP HA 1 51 TYR HA 3.927 . 5.500 4.383 4.341 4.446 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
426 1 39 TYR HA 1 45 LEU HA 2.464 . 3.200 2.454 2.176 3.347 0.147 37 0 "[ . 1 . 2 . 3 . 4 ]" 2
427 1 11 TYR HA 1 11 TYR QD 3.220 . 4.000 2.854 2.244 3.584 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
428 1 26 CYS HA 1 31 HIS H 3.505 . 5.500 3.783 1.923 4.663 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
429 1 26 CYS HA 1 26 CYS HB2 2.625 . 4.000 3.006 2.861 3.033 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
430 1 19 ALA HA 1 20 ASN HA 2.793 . 4.000 4.080 3.977 4.267 0.267 29 0 "[ . 1 . 2 . 3 . 4 ]" 2
431 1 34 SER HA 1 34 SER QB 2.637 . 4.000 2.180 2.166 2.197 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
432 1 12 PRO QB 1 14 SER QB 2.620 . 4.000 2.391 2.162 2.531 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
433 1 20 ASN HA 1 21 GLN HA 2.921 . 4.000 3.722 2.895 4.133 0.133 31 0 "[ . 1 . 2 . 3 . 4 ]" 2
434 1 23 ASN HA 1 49 CYS HA 4.401 . 5.500 5.350 4.387 5.587 0.087 21 0 "[ . 1 . 2 . 3 . 4 ]" 2
435 1 13 VAL HA 1 14 SER H 2.746 . 4.000 2.301 2.043 2.908 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
436 1 11 TYR QE 1 13 VAL HA 4.199 . 5.500 4.298 2.700 5.574 0.074 13 0 "[ . 1 . 2 . 3 . 4 ]" 2
437 1 11 TYR QD 1 13 VAL HA 3.493 . 4.250 3.434 2.589 4.307 0.057 16 0 "[ . 1 . 2 . 3 . 4 ]" 2
438 1 11 TYR QD 1 12 PRO QD 3.896 . 5.500 3.029 2.221 4.195 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
439 1 40 ASP HA 1 40 ASP HB2 2.763 . 5.780 2.557 2.297 2.881 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
440 1 4 CYS HA 1 4 CYS HB3 2.877 . 5.780 2.742 2.516 2.888 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
441 1 16 CYS HB2 1 37 CYS HB2 4.641 . 7.655 4.521 2.878 5.452 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
442 1 24 TYR QB 1 25 ASP HA 2.831 . 4.000 2.556 2.301 2.719 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
443 1 38 PHE HA 1 38 PHE QB 2.672 . 4.000 2.421 2.188 2.526 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
444 1 23 ASN H 1 24 TYR QB 3.687 . 5.500 3.112 2.266 3.912 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
445 1 49 CYS HA 1 50 ASP QB 4.716 . 5.875 4.174 4.006 4.730 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
446 1 38 PHE QB 1 46 GLN QB 2.240 . 3.000 4.031 3.006 4.818 1.818 15 36 "[****.****1****+****-***** ** **** *******]" 2
447 1 23 ASN HB2 1 35 GLY H 3.613 . 5.500 4.239 3.294 4.947 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
448 1 10 ASN H 1 10 ASN QB 3.568 . 5.500 2.840 2.104 3.529 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
449 1 28 LEU H 1 29 ASP HB2 3.210 . 4.000 3.837 3.497 4.050 0.050 43 0 "[ . 1 . 2 . 3 . 4 ]" 2
450 1 10 ASN QB 1 11 TYR H 2.945 . 5.780 2.580 1.684 3.175 0.016 4 0 "[ . 1 . 2 . 3 . 4 ]" 2
451 1 4 CYS HA 1 4 CYS HB2 2.468 . 3.200 2.206 2.017 2.348 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
452 1 20 ASN H 1 20 ASN QB 3.568 . 5.500 2.499 2.091 3.043 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
453 1 29 ASP HB2 1 30 LYS H 2.992 . 4.000 2.889 1.862 3.690 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
454 1 42 LYS QE 1 43 ARG H 3.643 . 5.500 5.057 3.700 5.732 0.232 16 0 "[ . 1 . 2 . 3 . 4 ]" 2
455 1 16 CYS HB3 1 17 GLN H 4.056 . 7.280 3.759 2.217 4.399 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
456 1 44 ASN HA 1 44 ASN HB2 2.985 . 5.780 2.988 2.846 3.031 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
457 1 51 TYR HB2 1 52 CYS H 4.362 . 5.500 3.227 1.813 4.425 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
458 1 50 ASP HA 1 51 TYR HB2 3.387 . 4.250 4.325 4.170 4.427 0.177 38 0 "[ . 1 . 2 . 3 . 4 ]" 2
459 1 5 LYS QE 1 5 LYS QG 2.819 . 4.000 2.268 2.100 2.858 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
460 1 39 TYR QB 1 43 ARG H 3.742 . 5.500 4.071 2.931 5.166 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
461 1 39 TYR HA 1 39 TYR QB 2.230 . 3.000 2.412 2.142 2.523 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
462 1 22 CYS QB 1 23 ASN H 3.131 . 4.000 2.335 1.794 2.809 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
463 1 11 TYR QB 1 11 TYR QD 2.892 . 4.000 2.137 2.096 2.255 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
464 1 11 TYR QB 1 11 TYR QE 3.172 . 4.000 3.281 2.557 3.660 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
465 1 25 ASP HB2 1 30 LYS H 3.665 . 7.280 3.480 2.207 4.127 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
466 1 6 LYS QE 1 51 TYR QE 4.734 . 5.875 4.262 2.281 5.642 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
467 1 19 ALA MB 1 20 ASN QB 3.044 . 4.000 3.783 3.120 4.159 0.159 29 0 "[ . 1 . 2 . 3 . 4 ]" 2
468 1 44 ASN HA 1 44 ASN HB3 2.750 . 4.000 2.582 2.307 2.886 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
469 1 11 TYR QD 1 22 CYS QB 3.571 . 4.250 3.989 2.921 4.423 0.173 13 0 "[ . 1 . 2 . 3 . 4 ]" 2
470 1 7 VAL MG2 1 9 GLU QG 2.758 . 4.000 3.291 2.087 3.886 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
471 1 50 ASP QB 1 51 TYR H 3.958 . 5.500 3.402 2.610 3.807 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
472 1 26 CYS HB3 1 49 CYS HA 3.440 . 4.250 2.959 2.408 3.624 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
473 1 33 ARG QD 1 53 GLU H 3.754 . 5.500 3.504 1.757 4.448 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
474 1 26 CYS HB3 1 30 LYS H 3.002 . 4.000 3.568 3.109 3.793 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
475 1 53 GLU H 1 53 GLU QG 3.960 . 5.500 3.745 2.393 4.540 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
476 1 40 ASP HB2 1 41 GLU QB 3.555 . 5.500 3.970 3.137 5.319 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
477 1 46 GLN HA 1 46 GLN QG 2.894 . 4.000 2.399 2.188 3.322 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
478 1 43 ARG QB 1 43 ARG HE 3.266 . 4.250 2.917 1.775 4.324 0.074 38 0 "[ . 1 . 2 . 3 . 4 ]" 2
479 1 42 LYS QB 1 44 ASN H 3.348 . 4.250 3.086 2.314 3.852 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
480 1 42 LYS QB 1 43 ARG H 3.055 . 4.000 2.592 1.742 3.207 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
481 1 39 TYR QD 1 43 ARG QB 3.424 . 4.250 3.807 2.232 4.311 0.061 10 0 "[ . 1 . 2 . 3 . 4 ]" 2
482 1 36 GLU QB 1 37 CYS HA 4.242 . 5.500 4.351 3.865 4.711 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
483 1 11 TYR QE 1 15 LYS QB 3.965 . 5.500 4.284 2.382 5.512 0.012 16 0 "[ . 1 . 2 . 3 . 4 ]" 2
484 1 5 LYS HA 1 6 LYS QB 4.857 . 5.875 4.328 3.777 4.784 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
485 1 42 LYS QD 1 44 ASN QD 4.200 . 5.500 4.395 1.973 5.511 0.011 25 0 "[ . 1 . 2 . 3 . 4 ]" 2
486 1 18 LEU HG 1 19 ALA H 4.415 . 5.500 4.553 3.780 5.536 0.036 43 0 "[ . 1 . 2 . 3 . 4 ]" 2
487 1 18 LEU HA 1 18 LEU HG 3.306 . 4.250 2.730 2.234 3.776 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
488 1 11 TYR QD 1 47 CYS HB2 3.676 . 7.280 3.286 2.218 4.919 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
489 1 8 TYR QD 1 47 CYS HB2 3.441 . 4.250 3.824 2.244 4.289 0.039 4 0 "[ . 1 . 2 . 3 . 4 ]" 2
490 1 25 ASP HA 1 28 LEU QB 2.726 . 4.000 3.630 3.124 4.036 0.036 34 0 "[ . 1 . 2 . 3 . 4 ]" 2
491 1 43 ARG H 1 43 ARG QG 3.974 . 5.500 3.554 2.220 4.473 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
492 1 43 ARG QG 1 44 ASN HA 3.913 . 5.500 3.951 3.417 4.577 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
493 1 6 LYS QD 1 51 TYR QE 3.285 . 4.250 3.306 2.207 4.313 0.063 7 0 "[ . 1 . 2 . 3 . 4 ]" 2
494 1 5 LYS QD 1 6 LYS HA 2.816 . 4.000 3.381 2.221 4.178 0.178 40 0 "[ . 1 . 2 . 3 . 4 ]" 2
495 1 28 LEU QB 1 29 ASP H 2.962 . 4.000 2.498 1.694 2.989 0.006 18 0 "[ . 1 . 2 . 3 . 4 ]" 2
496 1 27 LYS HB2 1 34 SER H 3.224 . 4.000 2.696 2.107 3.229 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
497 1 5 LYS QG 1 6 LYS H 3.506 . 5.500 2.831 2.165 3.782 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
498 1 37 CYS HB2 1 45 LEU QB 3.786 . 7.280 4.317 2.259 5.402 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
499 1 44 ASN HA 1 45 LEU QB 3.287 . 4.250 3.862 3.097 4.181 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
500 1 30 LYS QD 1 32 ALA MB 3.568 . 5.500 3.948 3.491 4.816 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
501 1 26 CYS HB3 1 30 LYS QD 2.466 . 3.200 2.109 2.042 2.186 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
502 1 11 TYR QD 1 13 VAL QG 3.810 . 5.500 4.010 2.251 5.009 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
503 1 13 VAL QG 1 46 GLN HA 3.283 . 4.250 3.493 2.190 4.344 0.094 2 0 "[ . 1 . 2 . 3 . 4 ]" 2
504 1 6 LYS HA 1 7 VAL MG1 3.155 . 4.000 3.367 2.812 3.602 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
505 1 7 VAL MG2 1 9 GLU H 3.632 . 5.500 2.633 1.711 3.838 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
506 1 7 VAL MG2 1 46 GLN QE 3.740 . 5.500 3.934 1.705 5.512 0.012 29 0 "[ . 1 . 2 . 3 . 4 ]" 2
507 1 28 LEU QD 1 30 LYS H 3.320 . 4.250 3.103 1.880 4.081 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
508 1 28 LEU H 1 28 LEU QD 3.905 . 5.500 3.890 3.638 4.081 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
509 1 24 TYR QD 1 28 LEU QD 4.039 . 5.500 3.329 2.406 3.866 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
510 1 28 LEU QD 1 31 HIS HD2 4.143 . 5.500 3.905 2.420 5.519 0.019 5 0 "[ . 1 . 2 . 3 . 4 ]" 2
511 1 28 LEU QD 1 29 ASP HA 4.095 . 5.500 3.501 2.407 4.692 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
512 1 28 LEU H 1 28 LEU QD 3.776 . 5.500 3.979 3.696 4.159 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
513 1 28 LEU QD 1 31 HIS HA 4.958 . 5.875 4.200 3.276 5.127 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
514 1 48 ILE MG 1 49 CYS HA 4.306 . 5.500 3.864 3.199 5.097 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
515 1 32 ALA MB 1 34 SER HA 3.584 . 5.500 4.217 3.776 4.585 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
516 1 8 TYR HA 1 33 ARG QD 3.668 . 5.500 3.870 2.234 4.854 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
517 1 3 LYS HA 1 4 CYS HA 3.478 . 4.250 4.224 4.088 4.449 0.199 4 0 "[ . 1 . 2 . 3 . 4 ]" 2
518 1 40 ASP HA 1 41 GLU HA 3.303 . 4.250 4.345 4.272 4.589 0.339 40 0 "[ . 1 . 2 . 3 . 4 ]" 2
519 1 44 ASN HA 1 45 LEU HA 4.639 . 5.875 4.583 4.306 5.309 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
520 1 6 LYS QD 1 9 GLU HA 3.195 . 4.000 3.848 3.171 4.076 0.076 5 0 "[ . 1 . 2 . 3 . 4 ]" 2
521 1 11 TYR HA 1 12 PRO QD 2.322 . 3.200 2.084 2.023 2.210 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
522 1 7 VAL MG1 1 9 GLU HA 4.119 . 5.500 5.400 4.797 5.671 0.171 4 0 "[ . 1 . 2 . 3 . 4 ]" 2
523 1 18 LEU QD 1 19 ALA HA 3.325 . 4.250 3.627 2.256 4.488 0.238 27 0 "[ . 1 . 2 . 3 . 4 ]" 2
524 1 26 CYS HA 1 49 CYS QB 3.289 . 4.250 3.819 3.208 4.465 0.215 24 0 "[ . 1 . 2 . 3 . 4 ]" 2
525 1 18 LEU HA 1 19 ALA HA 3.746 . 5.500 4.534 4.290 5.287 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
526 1 32 ALA HA 1 51 TYR HB3 5.023 . 5.523 4.381 3.149 5.053 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
527 1 19 ALA HA 1 23 ASN H 3.928 . 5.500 3.686 3.129 4.324 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
528 1 27 LYS HA 1 31 HIS HA 3.334 . 4.250 2.883 2.222 3.160 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
529 1 27 LYS HA 1 30 LYS H 4.138 . 5.500 4.029 3.300 4.734 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
530 1 7 VAL HA 1 7 VAL HB 2.993 . 4.000 2.293 2.229 2.404 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
531 1 6 LYS HA 1 7 VAL HA 3.812 . 5.500 4.377 4.296 4.708 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
532 1 23 ASN QD 1 24 TYR HA 4.149 . 5.500 4.256 2.340 5.501 0.001 42 0 "[ . 1 . 2 . 3 . 4 ]" 2
533 1 23 ASN HA 1 23 ASN QD 4.064 . 5.500 3.131 1.723 4.060 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
534 1 40 ASP H 1 43 ARG HA 4.173 . 5.500 4.078 2.044 5.541 0.041 40 0 "[ . 1 . 2 . 3 . 4 ]" 2
535 1 21 GLN QE 1 24 TYR QB 3.986 . 5.500 4.596 3.537 5.400 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
536 1 8 TYR QB 1 11 TYR H 4.298 . 5.500 3.039 1.688 3.947 0.012 4 0 "[ . 1 . 2 . 3 . 4 ]" 2
537 1 19 ALA MB 1 20 ASN QB 3.051 . 4.000 2.320 2.097 2.875 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
538 1 16 CYS HB3 1 37 CYS HB2 4.313 . 5.500 3.109 2.222 4.056 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
539 1 23 ASN QD 1 27 LYS QE 3.797 . 5.500 3.818 2.403 5.187 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
540 1 26 CYS HB2 1 51 TYR QE 3.638 . 7.280 4.378 4.299 4.440 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
541 1 26 CYS HB2 1 35 GLY QA 3.369 . 4.000 3.121 2.293 4.092 0.092 35 0 "[ . 1 . 2 . 3 . 4 ]" 2
542 1 39 TYR QB 1 44 ASN H 3.754 . 5.500 3.822 1.742 4.905 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
543 1 26 CYS HB2 1 33 ARG QB 2.868 . 4.000 3.895 2.111 4.334 0.334 7 0 "[ . 1 . 2 . 3 . 4 ]" 2
544 1 5 LYS QE 1 48 ILE MD 3.307 . 4.250 3.615 2.097 4.325 0.075 11 0 "[ . 1 . 2 . 3 . 4 ]" 2
545 1 39 TYR QB 1 45 LEU QD 4.621 . 5.500 3.906 1.963 4.674 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
546 1 10 ASN H 1 11 TYR QB 3.276 . 4.250 2.343 2.116 2.585 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
547 1 16 CYS HA 1 22 CYS QB 2.407 . 3.200 2.351 2.159 2.582 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
548 1 20 ASN QB 1 24 TYR QD 3.673 . 5.500 4.930 2.949 5.568 0.068 27 0 "[ . 1 . 2 . 3 . 4 ]" 2
549 1 19 ALA H 1 20 ASN QB 3.520 . 5.500 4.339 3.089 5.243 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
550 1 11 TYR QB 1 11 TYR QE 3.900 . 5.500 3.937 3.907 3.961 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
551 1 8 TYR QB 1 9 GLU H 3.525 . 5.500 3.391 1.615 3.778 0.085 23 0 "[ . 1 . 2 . 3 . 4 ]" 2
552 1 15 LYS QE 1 15 LYS QG 2.995 . 4.000 2.324 2.099 2.914 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
553 1 11 TYR QE 1 22 CYS QB 3.694 . 5.500 3.702 2.612 4.600 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
554 1 41 GLU QG 1 42 LYS H 4.570 . 5.500 4.016 1.796 4.856 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
555 1 7 VAL MG2 1 41 GLU QB 2.999 . 4.000 3.913 2.917 4.109 0.109 13 0 "[ . 1 . 2 . 3 . 4 ]" 2
556 1 30 LYS HB2 1 31 HIS H 4.387 . 5.500 3.779 2.088 4.288 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
557 1 26 CYS HB3 1 33 ARG H 3.643 . 5.500 3.539 2.776 3.838 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
558 1 16 CYS H 1 17 GLN HB3 3.811 . 7.280 5.626 4.605 7.209 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
559 1 53 GLU QG 1 54 TYR QD 4.522 . 5.500 4.334 2.283 5.510 0.010 14 0 "[ . 1 . 2 . 3 . 4 ]" 2
560 1 30 LYS QE 1 30 LYS QG 3.161 . 4.000 2.311 2.099 2.733 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
561 1 13 VAL QG 1 46 GLN QG 3.262 . 4.250 3.877 2.675 4.409 0.159 13 0 "[ . 1 . 2 . 3 . 4 ]" 2
562 1 6 LYS HA 1 7 VAL HB 2.859 . 4.000 3.687 2.388 4.219 0.219 19 0 "[ . 1 . 2 . 3 . 4 ]" 2
563 1 36 GLU QB 1 37 CYS HB2 4.152 . 5.500 4.828 3.708 5.585 0.085 16 0 "[ . 1 . 2 . 3 . 4 ]" 2
564 1 5 LYS QB 1 6 LYS H 4.346 . 5.500 3.149 2.598 3.878 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
565 1 17 GLN H 1 18 LEU HG 4.357 . 5.500 5.049 3.584 5.660 0.160 27 0 "[ . 1 . 2 . 3 . 4 ]" 2
566 1 11 TYR H 1 27 LYS QD 3.850 . 5.500 3.278 2.029 4.466 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
567 1 12 PRO QG 1 13 VAL H 4.171 . 5.500 4.501 2.253 4.858 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
568 1 6 LYS QD 1 51 TYR QD 3.600 . 5.500 4.144 2.372 5.546 0.046 2 0 "[ . 1 . 2 . 3 . 4 ]" 2
569 1 3 LYS H 1 3 LYS QG 2.936 . 4.000 3.008 1.683 4.088 0.088 37 0 "[ . 1 . 2 . 3 . 4 ]" 2
570 1 42 LYS QG 1 43 ARG H 3.521 . 5.500 3.244 2.215 4.016 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
571 1 28 LEU QB 1 30 LYS H 4.182 . 5.500 4.645 4.185 5.417 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
572 1 27 LYS HB2 1 34 SER HA 3.500 . 4.250 3.498 2.720 4.375 0.125 11 0 "[ . 1 . 2 . 3 . 4 ]" 2
573 1 4 CYS HA 1 6 LYS QG 3.721 . 5.500 3.833 3.298 4.406 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
574 1 45 LEU QB 1 46 GLN H 3.246 . 4.000 3.118 2.186 3.926 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
575 1 30 LYS QD 1 31 HIS H 4.049 . 5.500 4.186 3.612 4.438 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
576 1 6 LYS HA 1 7 VAL MG2 3.489 . 5.250 4.439 4.021 5.089 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
577 1 8 TYR H 1 48 ILE MD 4.517 . 5.500 4.201 3.068 4.856 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
578 1 6 LYS HA 1 48 ILE MD 3.000 . 4.000 3.784 3.097 4.106 0.106 40 0 "[ . 1 . 2 . 3 . 4 ]" 2
579 1 16 CYS HA 1 45 LEU QD 3.606 . 4.250 3.331 2.237 4.302 0.052 24 0 "[ . 1 . 2 . 3 . 4 ]" 2
580 1 17 GLN QG 1 45 LEU QD 3.841 . 5.500 4.044 2.213 5.515 0.015 38 0 "[ . 1 . 2 . 3 . 4 ]" 2
581 1 41 GLU HA 1 43 ARG H 3.570 . 5.500 4.539 3.205 5.658 0.158 2 0 "[ . 1 . 2 . 3 . 4 ]" 2
582 1 40 ASP HB2 1 41 GLU HA 3.818 . 5.500 4.632 3.795 5.552 0.052 23 0 "[ . 1 . 2 . 3 . 4 ]" 2
583 1 45 LEU HA 1 46 GLN HA 4.180 . 5.500 4.431 4.351 4.511 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
584 1 19 ALA HA 1 23 ASN HB2 2.500 . 3.200 3.133 2.352 3.266 0.066 35 0 "[ . 1 . 2 . 3 . 4 ]" 2
585 1 14 SER QB 1 15 LYS QB 4.301 . 5.500 4.203 3.363 4.995 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
586 1 4 CYS HA 1 51 TYR HB3 3.507 . 5.500 4.417 3.552 5.513 0.013 24 0 "[ . 1 . 2 . 3 . 4 ]" 2
587 1 42 LYS H 1 42 LYS QE 3.507 . 5.500 4.660 2.413 5.534 0.034 38 0 "[ . 1 . 2 . 3 . 4 ]" 2
588 1 16 CYS HB3 1 45 LEU QB 2.889 . 4.000 3.453 2.447 4.125 0.125 13 0 "[ . 1 . 2 . 3 . 4 ]" 2
589 1 38 PHE QD 1 39 TYR QB 3.904 . 5.500 5.067 4.535 5.587 0.087 40 0 "[ . 1 . 2 . 3 . 4 ]" 2
590 1 25 ASP HB2 1 30 LYS QD 3.147 . 4.000 3.009 2.204 3.725 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
591 1 15 LYS QE 1 15 LYS QG 3.174 . 4.000 2.265 2.034 2.845 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
592 1 23 ASN H 1 26 CYS HB3 4.126 . 5.500 2.990 2.177 3.464 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
593 1 33 ARG QD 1 52 CYS HA 3.769 . 5.500 4.139 2.236 5.517 0.017 3 0 "[ . 1 . 2 . 3 . 4 ]" 2
594 1 5 LYS QD 1 7 VAL H 3.766 . 5.500 4.573 2.841 5.505 0.005 40 0 "[ . 1 . 2 . 3 . 4 ]" 2
595 1 5 LYS QG 1 6 LYS HA 3.224 . 4.000 2.676 2.149 3.297 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
596 1 5 LYS H 1 5 LYS QG 3.763 . 5.500 2.863 1.729 4.299 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
597 1 30 LYS QD 1 51 TYR QE 4.493 . 5.500 3.994 3.125 4.823 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
598 1 8 TYR HA 1 30 LYS QD 3.887 . 5.500 3.842 2.285 5.151 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
599 1 11 TYR H 1 13 VAL QG 4.718 . 5.875 4.188 3.158 5.186 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
600 1 7 VAL MG1 1 48 ILE HB 4.510 . 5.500 5.231 4.365 5.554 0.054 21 0 "[ . 1 . 2 . 3 . 4 ]" 2
601 1 33 ARG QG 1 52 CYS HA 3.655 . 5.500 4.128 2.471 5.720 0.220 39 0 "[ . 1 . 2 . 3 . 4 ]" 2
602 1 3 LYS HA 1 4 CYS HB2 2.621 . 4.000 3.970 3.048 4.157 0.157 33 0 "[ . 1 . 2 . 3 . 4 ]" 2
603 1 13 VAL HA 1 27 LYS QD 3.467 . 4.250 4.110 3.591 4.358 0.108 10 0 "[ . 1 . 2 . 3 . 4 ]" 2
604 1 46 GLN HA 1 47 CYS H 2.543 . 4.000 2.292 2.124 2.660 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
605 1 20 ASN H 1 20 ASN HA 2.528 . 4.000 2.673 2.246 2.945 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
606 1 24 TYR QD 1 25 ASP H 3.702 . 5.500 3.268 2.693 3.836 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
607 1 38 PHE H 1 38 PHE QD 3.481 . 4.250 3.486 2.595 3.998 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
608 1 37 CYS H 1 38 PHE H 4.520 . 5.500 3.934 3.785 4.000 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
609 1 40 ASP HA 1 41 GLU H 2.478 . 3.200 2.536 2.073 3.447 0.247 40 0 "[ . 1 . 2 . 3 . 4 ]" 2
610 1 25 ASP HA 1 29 ASP H 3.368 . 4.250 3.376 2.739 4.368 0.118 26 0 "[ . 1 . 2 . 3 . 4 ]" 2
611 1 6 LYS HA 1 7 VAL H 2.437 . 3.200 2.185 2.115 2.902 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
612 1 37 CYS H 1 38 PHE HA 2.482 . 3.200 2.310 2.125 2.682 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
613 1 34 SER HA 1 35 GLY H 2.824 . 4.000 2.622 2.141 3.085 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
614 1 39 TYR QD 1 45 LEU H 3.543 . 5.500 4.201 1.724 5.409 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
615 1 44 ASN HA 1 45 LEU H 2.414 . 3.200 2.630 2.139 3.499 0.299 16 0 "[ . 1 . 2 . 3 . 4 ]" 2
616 1 4 CYS H 1 4 CYS HA 2.919 . 4.000 2.766 2.257 2.952 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
617 1 3 LYS HA 1 4 CYS H 2.965 . 4.000 2.384 2.115 3.385 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
618 1 2 ASP H 1 2 ASP HA 2.548 . 4.000 2.469 2.041 2.784 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
619 1 25 ASP HA 1 28 LEU H 3.061 . 4.000 4.062 3.751 4.140 0.140 33 0 "[ . 1 . 2 . 3 . 4 ]" 2
620 1 34 SER H 1 34 SER HA 2.885 . 4.000 2.823 2.668 2.928 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
621 1 16 CYS HA 1 18 LEU H 3.006 . 4.000 3.613 2.958 4.124 0.124 5 0 "[ . 1 . 2 . 3 . 4 ]" 2
622 1 38 PHE HA 1 38 PHE QD 2.855 . 4.000 2.684 2.155 3.674 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
623 1 31 HIS HA 1 31 HIS HD2 3.909 . 5.500 3.200 2.521 4.469 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
624 1 30 LYS HA 1 31 HIS HD2 4.164 . 5.500 4.557 2.732 5.498 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
625 1 24 TYR QD 1 25 ASP HA 3.248 . 4.000 3.763 3.302 4.083 0.083 4 0 "[ . 1 . 2 . 3 . 4 ]" 2
626 1 31 HIS H 1 31 HIS HA 2.457 . 3.200 2.294 2.259 2.720 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
627 1 38 PHE HA 1 39 TYR QD 2.785 . 4.000 3.643 2.648 4.116 0.116 40 0 "[ . 1 . 2 . 3 . 4 ]" 2
628 1 23 ASN QD 1 26 CYS HB2 2.361 . 3.200 2.144 2.113 2.307 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
629 1 8 TYR QE 1 25 ASP HA 2.812 . 4.000 3.805 3.436 4.063 0.063 42 0 "[ . 1 . 2 . 3 . 4 ]" 2
630 1 39 TYR QB 1 39 TYR QE 3.008 . 4.000 3.937 3.906 3.978 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
631 1 30 LYS H 1 31 HIS HA 3.563 . 5.500 4.217 3.828 4.708 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
632 1 30 LYS H 1 30 LYS HA 2.963 . 4.000 2.929 2.903 2.954 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
633 1 50 ASP HA 1 51 TYR QD 3.025 . 4.000 3.173 2.673 4.017 0.017 1 0 "[ . 1 . 2 . 3 . 4 ]" 2
634 1 26 CYS H 1 28 LEU H 3.948 . 5.500 4.171 3.830 4.263 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
635 1 11 TYR QD 1 47 CYS H 4.337 . 5.500 4.273 3.041 5.650 0.150 18 0 "[ . 1 . 2 . 3 . 4 ]" 2
636 1 37 CYS HA 1 47 CYS H 4.411 . 5.500 4.556 3.855 4.914 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
637 1 8 TYR H 1 9 GLU H 4.561 . 5.500 3.499 2.091 4.401 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
638 1 41 GLU H 1 43 ARG H 4.503 . 5.500 4.789 3.066 5.551 0.051 42 0 "[ . 1 . 2 . 3 . 4 ]" 2
639 1 23 ASN QD 1 35 GLY H 3.835 . 5.500 2.779 1.675 3.889 0.025 5 0 "[ . 1 . 2 . 3 . 4 ]" 2
640 1 40 ASP H 1 44 ASN H 4.176 . 5.500 3.292 1.938 5.391 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
641 1 30 LYS HA 1 31 HIS HE1 4.595 . 5.500 4.646 3.619 5.537 0.037 5 0 "[ . 1 . 2 . 3 . 4 ]" 2
642 1 21 GLN QB 1 22 CYS H 3.449 . 4.250 2.220 1.727 3.949 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
643 1 40 ASP H 1 43 ARG H 5.226 . 5.726 3.755 2.416 5.062 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
644 1 33 ARG H 1 50 ASP H 3.684 . 5.500 3.968 3.268 4.121 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
645 1 21 GLN H 1 21 GLN QG 3.582 . 5.500 3.238 1.737 4.049 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
646 1 16 CYS HA 1 17 GLN H 2.834 . 4.000 2.819 2.112 3.575 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
647 1 4 CYS HA 1 51 TYR QD 3.511 . 5.500 4.230 2.945 5.034 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
648 1 38 PHE QB 1 38 PHE QE 3.350 . 4.250 3.927 3.919 3.947 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
649 1 6 LYS QG 1 18 LEU H 3.153 . 4.000 3.459 2.205 4.167 0.167 12 0 "[ . 1 . 2 . 3 . 4 ]" 2
650 1 38 PHE QD 1 48 ILE HA 4.073 . 5.500 5.234 4.720 5.616 0.116 24 0 "[ . 1 . 2 . 3 . 4 ]" 2
651 1 31 HIS H 1 31 HIS HD2 3.256 . 4.250 3.113 2.138 4.356 0.106 26 0 "[ . 1 . 2 . 3 . 4 ]" 2
652 1 28 LEU HA 1 31 HIS HD2 4.226 . 5.500 4.007 2.554 5.779 0.279 26 0 "[ . 1 . 2 . 3 . 4 ]" 2
653 1 10 ASN H 1 10 ASN QD 4.974 . 5.875 4.026 1.752 5.501 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
654 1 39 TYR QD 1 44 ASN HA 3.033 . 4.000 4.005 3.670 4.359 0.359 40 0 "[ . 1 . 2 . 3 . 4 ]" 2
655 1 8 TYR QB 1 8 TYR QE 3.675 . 5.500 3.847 2.502 3.977 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
656 1 8 TYR QE 1 30 LYS QE 3.355 . 4.250 3.544 2.265 4.312 0.062 39 0 "[ . 1 . 2 . 3 . 4 ]" 2
657 1 8 TYR QE 1 9 GLU QG 3.521 . 5.500 4.997 3.468 5.661 0.161 13 0 "[ . 1 . 2 . 3 . 4 ]" 2
658 1 39 TYR H 1 39 TYR QE 3.706 . 5.500 4.693 3.670 5.448 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
659 1 39 TYR QE 1 43 ARG HA 3.721 . 5.500 3.946 2.254 5.595 0.095 37 0 "[ . 1 . 2 . 3 . 4 ]" 2
660 1 25 ASP HA 1 26 CYS H 3.825 . 5.500 3.581 3.549 3.596 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
661 1 38 PHE H 1 46 GLN QB 4.041 . 5.500 3.941 3.164 4.481 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
662 1 40 ASP H 1 41 GLU H 4.268 . 5.500 4.166 2.688 4.647 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
663 1 35 GLY H 1 49 CYS HA 4.312 . 5.500 4.369 3.875 4.619 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
664 1 6 LYS H 1 49 CYS H 4.020 . 5.500 3.163 2.704 3.940 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
665 1 8 TYR H 1 46 GLN H 3.679 . 5.500 3.601 2.836 4.097 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
666 1 37 CYS HA 1 46 GLN H 3.858 . 5.500 4.242 3.218 5.039 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
667 1 11 TYR QE 1 15 LYS H 3.843 . 5.500 4.376 3.291 5.619 0.119 13 0 "[ . 1 . 2 . 3 . 4 ]" 2
668 1 21 GLN H 1 23 ASN H 5.103 . 5.603 4.405 3.887 5.023 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
669 1 21 GLN H 1 24 TYR QD 3.491 . 4.250 4.152 3.335 4.300 0.050 23 0 "[ . 1 . 2 . 3 . 4 ]" 2
670 1 17 GLN QG 1 18 LEU H 3.459 . 4.250 4.162 3.387 4.406 0.157 39 0 "[ . 1 . 2 . 3 . 4 ]" 2
671 1 51 TYR QD 1 52 CYS H 3.836 . 5.500 4.421 3.870 5.029 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
672 1 24 TYR QE 1 28 LEU HG 3.891 . 5.500 4.631 2.562 5.522 0.022 11 0 "[ . 1 . 2 . 3 . 4 ]" 2
673 1 54 TYR QB 1 54 TYR QE 3.394 . 4.250 3.947 3.928 3.971 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
674 1 8 TYR QE 1 29 ASP H 3.849 . 5.500 4.807 3.749 5.461 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
675 1 8 TYR QE 1 12 PRO QD 3.804 . 7.280 4.689 2.521 6.563 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
676 1 21 GLN QE 1 25 ASP H 4.181 . 5.500 5.067 3.455 5.512 0.012 42 0 "[ . 1 . 2 . 3 . 4 ]" 2
677 1 35 GLY H 1 36 GLU HA 4.022 . 5.500 4.306 3.999 4.502 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
678 1 39 TYR QD 1 46 GLN H 4.087 . 5.500 5.345 4.672 5.641 0.141 1 0 "[ . 1 . 2 . 3 . 4 ]" 2
679 1 27 LYS H 1 49 CYS QB 4.114 . 5.500 4.569 4.101 5.498 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
680 1 27 LYS H 1 31 HIS HA 3.926 . 5.500 2.737 2.416 2.891 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
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