NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
381393 |
1iyy   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1iyy
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 1185
_Distance_constraint_stats_list.Viol_count 1103
_Distance_constraint_stats_list.Viol_total 1889.069
_Distance_constraint_stats_list.Viol_max 0.446
_Distance_constraint_stats_list.Viol_rms 0.0201
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0714
_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 ALA 0.256 0.132 3 0 "[ . 1 . 2 ]"
1 2 CYS 4.934 0.218 17 0 "[ . 1 . 2 ]"
1 3 ASP 0.008 0.008 7 0 "[ . 1 . 2 ]"
1 4 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 5 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 6 CYS 11.920 0.446 22 0 "[ . 1 . 2 ]"
1 7 GLY 12.420 0.446 22 0 "[ . 1 . 2 ]"
1 8 SER 0.761 0.089 20 0 "[ . 1 . 2 ]"
1 9 ASN 0.237 0.063 11 0 "[ . 1 . 2 ]"
1 10 CYS 4.176 0.244 12 0 "[ . 1 . 2 ]"
1 11 TYR 0.006 0.006 11 0 "[ . 1 . 2 ]"
1 12 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 13 SER 1.682 0.109 17 0 "[ . 1 . 2 ]"
1 14 SER 0.857 0.090 6 0 "[ . 1 . 2 ]"
1 15 ASP 2.463 0.174 22 0 "[ . 1 . 2 ]"
1 16 VAL 4.691 0.174 22 0 "[ . 1 . 2 ]"
1 17 SER 0.880 0.106 3 0 "[ . 1 . 2 ]"
1 18 THR 1.619 0.084 6 0 "[ . 1 . 2 ]"
1 19 ALA 1.507 0.084 6 0 "[ . 1 . 2 ]"
1 20 GLN 2.251 0.160 3 0 "[ . 1 . 2 ]"
1 21 ALA 0.142 0.075 11 0 "[ . 1 . 2 ]"
1 22 ALA 0.493 0.098 12 0 "[ . 1 . 2 ]"
1 23 GLY 1.748 0.082 6 0 "[ . 1 . 2 ]"
1 24 TYR 0.407 0.076 20 0 "[ . 1 . 2 ]"
1 25 GLN 0.624 0.098 12 0 "[ . 1 . 2 ]"
1 26 LEU 0.885 0.074 23 0 "[ . 1 . 2 ]"
1 27 HIS 3.661 0.423 20 0 "[ . 1 . 2 ]"
1 28 GLU 2.455 0.116 14 0 "[ . 1 . 2 ]"
1 29 ASP 0.924 0.116 14 0 "[ . 1 . 2 ]"
1 30 GLY 0.693 0.423 20 0 "[ . 1 . 2 ]"
1 31 GLU 0.869 0.285 11 0 "[ . 1 . 2 ]"
1 32 THR 1.893 0.285 11 0 "[ . 1 . 2 ]"
1 33 VAL 0.830 0.097 18 0 "[ . 1 . 2 ]"
1 34 GLY 1.018 0.086 19 0 "[ . 1 . 2 ]"
1 35 SER 1.149 0.097 18 0 "[ . 1 . 2 ]"
1 36 ASN 1.658 0.184 1 0 "[ . 1 . 2 ]"
1 37 SER 0.202 0.097 10 0 "[ . 1 . 2 ]"
1 38 TYR 3.848 0.236 24 0 "[ . 1 . 2 ]"
1 39 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 40 HIS 4.242 0.357 1 0 "[ . 1 . 2 ]"
1 41 LYS 0.191 0.069 4 0 "[ . 1 . 2 ]"
1 42 TYR 0.173 0.068 9 0 "[ . 1 . 2 ]"
1 43 ASN 0.275 0.094 11 0 "[ . 1 . 2 ]"
1 44 ASN 0.275 0.094 11 0 "[ . 1 . 2 ]"
1 45 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 46 GLU 1.404 0.150 3 0 "[ . 1 . 2 ]"
1 47 GLY 0.016 0.016 10 0 "[ . 1 . 2 ]"
1 48 PHE 4.200 0.307 6 0 "[ . 1 . 2 ]"
1 49 ASP 2.645 0.307 6 0 "[ . 1 . 2 ]"
1 50 PHE 0.323 0.055 19 0 "[ . 1 . 2 ]"
1 51 SER 0.221 0.055 19 0 "[ . 1 . 2 ]"
1 52 VAL 0.065 0.065 3 0 "[ . 1 . 2 ]"
1 53 SER 0.080 0.065 3 0 "[ . 1 . 2 ]"
1 54 SER 4.014 0.280 6 0 "[ . 1 . 2 ]"
1 55 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 56 TYR 4.115 0.280 6 0 "[ . 1 . 2 ]"
1 57 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 58 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 59 TRP 4.814 0.145 10 0 "[ . 1 . 2 ]"
1 60 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 61 ILE 0.475 0.076 6 0 "[ . 1 . 2 ]"
1 62 LEU 1.129 0.218 8 0 "[ . 1 . 2 ]"
1 63 SER 1.866 0.218 8 0 "[ . 1 . 2 ]"
1 64 SER 0.968 0.168 7 0 "[ . 1 . 2 ]"
1 65 GLY 0.029 0.024 11 0 "[ . 1 . 2 ]"
1 66 ASP 0.648 0.156 21 0 "[ . 1 . 2 ]"
1 67 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 68 TYR 1.072 0.127 16 0 "[ . 1 . 2 ]"
1 69 SER 0.173 0.126 16 0 "[ . 1 . 2 ]"
1 73 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 74 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 75 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 76 ASP 0.065 0.024 15 0 "[ . 1 . 2 ]"
1 77 ARG 0.041 0.024 23 0 "[ . 1 . 2 ]"
1 78 VAL 0.051 0.051 14 0 "[ . 1 . 2 ]"
1 79 VAL 0.106 0.038 12 0 "[ . 1 . 2 ]"
1 80 PHE 0.834 0.083 19 0 "[ . 1 . 2 ]"
1 81 ASN 6.281 0.173 16 0 "[ . 1 . 2 ]"
1 82 GLU 3.415 0.173 16 0 "[ . 1 . 2 ]"
1 83 ASN 2.345 0.144 20 0 "[ . 1 . 2 ]"
1 84 ASN 0.964 0.115 13 0 "[ . 1 . 2 ]"
1 85 GLN 1.405 0.115 13 0 "[ . 1 . 2 ]"
1 86 LEU 1.660 0.102 22 0 "[ . 1 . 2 ]"
1 87 ALA 0.592 0.101 16 0 "[ . 1 . 2 ]"
1 88 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 89 VAL 0.032 0.020 3 0 "[ . 1 . 2 ]"
1 90 ILE 1.341 0.179 6 0 "[ . 1 . 2 ]"
1 91 THR 0.910 0.123 7 0 "[ . 1 . 2 ]"
1 92 HIS 2.977 0.189 3 0 "[ . 1 . 2 ]"
1 93 THR 1.238 0.319 8 0 "[ . 1 . 2 ]"
1 94 GLY 1.002 0.140 8 0 "[ . 1 . 2 ]"
1 95 ALA 1.714 0.319 8 0 "[ . 1 . 2 ]"
1 96 SER 1.498 0.255 8 0 "[ . 1 . 2 ]"
1 97 GLY 0.641 0.207 24 0 "[ . 1 . 2 ]"
1 98 ASN 5.521 0.398 1 0 "[ . 1 . 2 ]"
1 99 ASN 0.682 0.329 8 0 "[ . 1 . 2 ]"
1 100 PHE 2.403 0.329 8 0 "[ . 1 . 2 ]"
1 101 VAL 0.148 0.052 16 0 "[ . 1 . 2 ]"
1 102 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 103 CYS 0.859 0.103 3 0 "[ . 1 . 2 ]"
1 104 THR 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 13 SER H 1 14 SER H 4.000 . 5.000 2.776 2.605 2.927 . 0 0 "[ . 1 . 2 ]" 1
2 1 12 SER HA 1 13 SER H 2.500 . 2.700 2.201 2.171 2.245 . 0 0 "[ . 1 . 2 ]" 1
3 1 12 SER HB2 1 13 SER H 4.000 . 5.000 4.034 2.925 4.566 . 0 0 "[ . 1 . 2 ]" 1
4 1 12 SER HB3 1 13 SER H 4.000 . 5.000 3.714 3.162 4.399 . 0 0 "[ . 1 . 2 ]" 1
5 1 3 ASP H 1 13 SER H 4.000 . 5.000 2.713 2.338 3.357 . 0 0 "[ . 1 . 2 ]" 1
6 1 33 VAL H 1 38 TYR H 4.000 . 5.000 3.973 3.033 4.897 . 0 0 "[ . 1 . 2 ]" 1
7 1 32 THR HB 1 33 VAL H 2.500 . 2.700 2.494 1.956 2.755 0.055 19 0 "[ . 1 . 2 ]" 1
8 1 32 THR HA 1 33 VAL H 2.500 . 3.500 2.709 2.455 3.525 0.025 21 0 "[ . 1 . 2 ]" 1
9 1 77 ARG H 1 90 ILE MG 4.000 . 6.500 5.455 5.340 5.536 . 0 0 "[ . 1 . 2 ]" 1
10 1 76 ASP H 1 77 ARG H 4.000 . 5.000 4.441 3.979 4.685 . 0 0 "[ . 1 . 2 ]" 1
11 1 76 ASP HA 1 77 ARG H 3.000 . 3.500 2.249 2.159 2.429 . 0 0 "[ . 1 . 2 ]" 1
12 1 76 ASP HB2 1 77 ARG H 4.000 . 5.000 4.116 3.504 4.414 . 0 0 "[ . 1 . 2 ]" 1
13 1 76 ASP HB3 1 77 ARG H 4.000 . 5.000 3.179 2.479 3.905 . 0 0 "[ . 1 . 2 ]" 1
14 1 90 ILE HA 1 91 THR H 3.000 . 3.500 2.434 2.239 2.717 . 0 0 "[ . 1 . 2 ]" 1
15 1 90 ILE HB 1 91 THR H 3.000 . 3.500 2.622 2.036 3.172 . 0 0 "[ . 1 . 2 ]" 1
16 1 91 THR H 1 100 PHE QD 4.000 . 7.000 4.815 2.753 5.646 . 0 0 "[ . 1 . 2 ]" 1
17 1 12 SER H 1 15 ASP HB2 4.000 . 5.000 3.072 2.191 3.822 . 0 0 "[ . 1 . 2 ]" 1
18 1 6 CYS HB2 1 7 GLY H 3.000 . 3.500 3.719 3.263 3.867 0.367 2 0 "[ . 1 . 2 ]" 1
19 1 7 GLY H 1 8 SER H 4.000 . 5.000 3.190 1.986 4.413 . 0 0 "[ . 1 . 2 ]" 1
20 1 90 ILE MG 1 91 THR H 4.000 . 6.500 3.736 3.356 3.983 . 0 0 "[ . 1 . 2 ]" 1
21 1 6 CYS HA 1 7 GLY H 2.500 . 2.700 2.895 2.342 3.146 0.446 22 0 "[ . 1 . 2 ]" 1
22 1 90 ILE MD 1 91 THR H 4.000 . 7.000 4.744 4.299 5.050 . 0 0 "[ . 1 . 2 ]" 1
23 1 91 THR H 1 103 CYS H 4.000 . 5.000 4.753 3.687 5.035 0.035 9 0 "[ . 1 . 2 ]" 1
24 1 12 SER H 1 15 ASP H 4.000 . 5.000 3.898 3.639 4.274 . 0 0 "[ . 1 . 2 ]" 1
25 1 100 PHE HA 1 101 VAL H 3.000 . 3.500 2.224 2.138 2.384 . 0 0 "[ . 1 . 2 ]" 1
26 1 100 PHE QD 1 101 VAL H 4.000 . 7.000 4.514 3.246 4.937 . 0 0 "[ . 1 . 2 ]" 1
27 1 92 HIS QB 1 93 THR H 4.000 . 6.000 3.965 3.897 4.017 . 0 0 "[ . 1 . 2 ]" 1
28 1 92 HIS HA 1 93 THR H 4.000 . 5.000 2.490 2.321 2.784 . 0 0 "[ . 1 . 2 ]" 1
29 1 91 THR HA 1 93 THR H 4.000 . 5.000 4.821 4.400 5.123 0.123 7 0 "[ . 1 . 2 ]" 1
30 1 93 THR H 1 94 GLY H 4.000 . 5.000 3.005 1.822 4.354 . 0 0 "[ . 1 . 2 ]" 1
31 1 50 PHE H 1 51 SER H 4.000 . 5.000 4.591 4.423 4.696 . 0 0 "[ . 1 . 2 ]" 1
32 1 50 PHE QD 1 51 SER H 3.000 . 5.500 3.729 2.582 4.258 . 0 0 "[ . 1 . 2 ]" 1
33 1 50 PHE HA 1 51 SER H 2.500 . 2.700 2.637 2.450 2.755 0.055 19 0 "[ . 1 . 2 ]" 1
34 1 51 SER H 1 52 VAL H 3.000 . 3.500 2.321 2.004 2.826 . 0 0 "[ . 1 . 2 ]" 1
35 1 50 PHE HB2 1 51 SER H 3.000 . 3.500 2.933 1.939 3.508 0.008 11 0 "[ . 1 . 2 ]" 1
36 1 91 THR HA 1 92 HIS H 3.000 . 3.500 2.310 2.163 3.196 . 0 0 "[ . 1 . 2 ]" 1
37 1 40 HIS HB2 1 41 LYS H 3.000 . 3.500 2.583 2.069 3.569 0.069 4 0 "[ . 1 . 2 ]" 1
38 1 67 VAL HB 1 68 TYR H 4.000 . 5.000 3.848 3.153 4.206 . 0 0 "[ . 1 . 2 ]" 1
39 1 67 VAL MG2 1 68 TYR H 4.000 . 6.500 4.024 3.878 4.240 . 0 0 "[ . 1 . 2 ]" 1
40 1 67 VAL MG1 1 68 TYR H 3.000 . 5.000 2.269 1.858 2.798 . 0 0 "[ . 1 . 2 ]" 1
41 1 40 HIS QB 1 41 LYS H 4.000 . 6.000 2.429 2.010 3.312 . 0 0 "[ . 1 . 2 ]" 1
42 1 40 HIS HA 1 41 LYS H 2.500 . 2.700 2.553 2.164 2.751 0.051 8 0 "[ . 1 . 2 ]" 1
43 1 10 CYS HA 1 11 TYR H 2.500 . 2.700 2.488 2.294 2.706 0.006 11 0 "[ . 1 . 2 ]" 1
44 1 4 TYR H 1 11 TYR H 4.000 . 5.000 4.256 3.267 4.991 . 0 0 "[ . 1 . 2 ]" 1
45 1 10 CYS HB2 1 11 TYR H 4.000 . 5.000 4.688 4.671 4.717 . 0 0 "[ . 1 . 2 ]" 1
46 1 34 GLY HA2 1 35 SER H 3.000 . 3.500 3.330 2.349 3.571 0.071 2 0 "[ . 1 . 2 ]" 1
47 1 34 GLY H 1 35 SER H 4.000 . 5.000 2.992 1.872 4.160 . 0 0 "[ . 1 . 2 ]" 1
48 1 34 GLY HA3 1 35 SER H 3.000 . 3.500 3.003 2.287 3.586 0.086 19 0 "[ . 1 . 2 ]" 1
49 1 35 SER H 1 36 ASN H 4.000 . 5.000 2.531 1.809 4.589 . 0 0 "[ . 1 . 2 ]" 1
50 1 67 VAL HA 1 68 TYR H 2.500 . 2.700 2.331 2.196 2.589 . 0 0 "[ . 1 . 2 ]" 1
51 1 33 VAL HA 1 35 SER H 4.000 . 5.000 4.719 3.896 5.097 0.097 18 0 "[ . 1 . 2 ]" 1
52 1 4 TYR HB3 1 5 THR H 4.000 . 5.000 3.898 3.281 4.345 . 0 0 "[ . 1 . 2 ]" 1
53 1 4 TYR HB2 1 5 THR H 4.000 . 5.000 4.507 4.260 4.597 . 0 0 "[ . 1 . 2 ]" 1
54 1 51 SER H 1 52 VAL HA 4.000 . 5.000 4.345 3.910 4.879 . 0 0 "[ . 1 . 2 ]" 1
55 1 86 LEU H 1 87 ALA H 4.000 . 5.000 3.614 3.385 4.163 . 0 0 "[ . 1 . 2 ]" 1
56 1 86 LEU QB 1 87 ALA H 4.000 . 6.000 3.864 3.743 3.938 . 0 0 "[ . 1 . 2 ]" 1
57 1 86 LEU HA 1 87 ALA H 3.000 . 3.500 2.182 2.139 2.230 . 0 0 "[ . 1 . 2 ]" 1
58 1 80 PHE HA 1 87 ALA H 3.000 . 3.500 2.342 2.115 2.618 . 0 0 "[ . 1 . 2 ]" 1
59 1 87 ALA H 1 88 GLY H 3.000 . 3.500 2.395 2.175 2.655 . 0 0 "[ . 1 . 2 ]" 1
60 1 19 ALA MB 1 20 GLN H 2.500 . 4.200 3.034 2.777 3.265 . 0 0 "[ . 1 . 2 ]" 1
61 1 17 SER HA 1 20 GLN H 3.000 . 3.500 3.216 2.977 3.495 . 0 0 "[ . 1 . 2 ]" 1
62 1 20 GLN H 1 21 ALA H 3.000 . 3.500 2.328 2.083 2.519 . 0 0 "[ . 1 . 2 ]" 1
63 1 19 ALA H 1 20 GLN H 3.000 . 3.500 2.514 2.369 2.633 . 0 0 "[ . 1 . 2 ]" 1
64 1 19 ALA HA 1 20 GLN H 4.000 . 5.000 3.425 3.359 3.487 . 0 0 "[ . 1 . 2 ]" 1
65 1 77 ARG HA 1 78 VAL H 4.000 . 5.000 2.281 2.181 2.506 . 0 0 "[ . 1 . 2 ]" 1
66 1 77 ARG QB 1 78 VAL H 4.000 . 6.000 3.608 2.692 4.071 . 0 0 "[ . 1 . 2 ]" 1
67 1 59 TRP H 1 78 VAL H 4.000 . 5.000 4.136 3.490 4.999 . 0 0 "[ . 1 . 2 ]" 1
68 1 61 ILE MD 1 63 SER H 4.000 . 6.500 4.411 3.203 4.826 . 0 0 "[ . 1 . 2 ]" 1
69 1 62 LEU HG 1 63 SER H 4.000 . 5.000 5.001 4.745 5.218 0.218 8 0 "[ . 1 . 2 ]" 1
70 1 62 LEU HA 1 63 SER H 2.500 . 2.700 2.457 2.147 2.705 0.005 6 0 "[ . 1 . 2 ]" 1
71 1 62 LEU H 1 63 SER H 4.000 . 5.000 4.480 4.134 4.528 . 0 0 "[ . 1 . 2 ]" 1
72 1 63 SER H 1 64 SER H 4.000 . 5.000 2.483 1.894 3.457 . 0 0 "[ . 1 . 2 ]" 1
73 1 62 LEU MD2 1 63 SER H 4.000 . 6.500 4.026 3.870 4.168 . 0 0 "[ . 1 . 2 ]" 1
74 1 62 LEU HB3 1 63 SER H 4.000 . 5.000 2.713 2.331 3.613 . 0 0 "[ . 1 . 2 ]" 1
75 1 62 LEU HB2 1 63 SER H 4.000 . 5.000 3.137 2.687 3.986 . 0 0 "[ . 1 . 2 ]" 1
76 1 7 GLY QA 1 8 SER H 3.000 . 4.500 2.467 2.186 2.860 . 0 0 "[ . 1 . 2 ]" 1
77 1 8 SER H 1 9 ASN H 2.500 . 2.700 2.541 1.907 2.763 0.063 11 0 "[ . 1 . 2 ]" 1
78 1 7 GLY HA3 1 8 SER H 3.000 . 3.500 2.948 2.213 3.589 0.089 20 0 "[ . 1 . 2 ]" 1
79 1 52 VAL MG1 1 53 SER H 4.000 . 6.500 2.752 2.024 4.268 . 0 0 "[ . 1 . 2 ]" 1
80 1 52 VAL HB 1 53 SER H 3.000 . 3.500 2.267 1.896 3.565 0.065 3 0 "[ . 1 . 2 ]" 1
81 1 52 VAL HA 1 53 SER H 4.000 . 5.000 3.538 2.663 3.608 . 0 0 "[ . 1 . 2 ]" 1
82 1 52 VAL MG2 1 53 SER H 4.000 . 6.500 3.680 2.336 4.136 . 0 0 "[ . 1 . 2 ]" 1
83 1 5 THR MG 1 6 CYS H 3.000 . 5.000 3.415 2.174 4.276 . 0 0 "[ . 1 . 2 ]" 1
84 1 5 THR HA 1 6 CYS H 2.500 . 2.700 2.243 2.180 2.511 . 0 0 "[ . 1 . 2 ]" 1
85 1 99 ASN HA 1 100 PHE H 2.500 . 2.700 2.446 2.204 3.029 0.329 8 0 "[ . 1 . 2 ]" 1
86 1 45 TYR HA 1 46 GLU H 4.000 . 5.000 3.329 2.740 3.584 . 0 0 "[ . 1 . 2 ]" 1
87 1 46 GLU H 1 47 GLY H 3.000 . 3.500 2.954 2.001 3.439 . 0 0 "[ . 1 . 2 ]" 1
88 1 45 TYR H 1 46 GLU H 3.000 . 3.500 2.311 1.823 3.107 . 0 0 "[ . 1 . 2 ]" 1
89 1 99 ASN QB 1 100 PHE H 4.000 . 6.000 2.915 1.917 3.438 . 0 0 "[ . 1 . 2 ]" 1
90 1 56 TYR QB 1 57 TYR H 4.000 . 6.000 2.013 1.867 2.209 . 0 0 "[ . 1 . 2 ]" 1
91 1 57 TYR H 1 81 ASN HA 4.000 . 5.000 4.045 3.488 4.319 . 0 0 "[ . 1 . 2 ]" 1
92 1 40 HIS H 1 58 GLU H 4.000 . 5.000 3.096 2.472 3.537 . 0 0 "[ . 1 . 2 ]" 1
93 1 57 TYR H 1 80 PHE H 4.000 . 5.000 2.331 2.092 2.594 . 0 0 "[ . 1 . 2 ]" 1
94 1 93 THR MG 1 94 GLY H 2.500 . 4.200 3.053 2.115 3.413 . 0 0 "[ . 1 . 2 ]" 1
95 1 94 GLY H 1 95 ALA H 2.500 . 2.700 2.560 2.116 2.840 0.140 8 0 "[ . 1 . 2 ]" 1
96 1 93 THR HA 1 94 GLY H 3.000 . 3.500 2.845 2.197 3.548 0.048 24 0 "[ . 1 . 2 ]" 1
97 1 37 SER HA 1 38 TYR H 3.000 . 3.500 2.503 2.170 2.885 . 0 0 "[ . 1 . 2 ]" 1
98 1 37 SER QB 1 38 TYR H 3.000 . 4.500 3.029 1.922 4.032 . 0 0 "[ . 1 . 2 ]" 1
99 1 37 SER H 1 38 TYR H 4.000 . 5.000 4.101 2.989 4.694 . 0 0 "[ . 1 . 2 ]" 1
100 1 41 LYS HA 1 42 TYR H 3.000 . 3.500 2.302 2.179 2.603 . 0 0 "[ . 1 . 2 ]" 1
101 1 41 LYS QB 1 42 TYR H 4.000 . 6.000 3.101 2.370 3.804 . 0 0 "[ . 1 . 2 ]" 1
102 1 75 ALA MB 1 76 ASP H 3.000 . 5.000 1.922 1.830 2.078 . 0 0 "[ . 1 . 2 ]" 1
103 1 48 PHE HA 1 49 ASP H 2.500 . 2.700 2.496 2.180 2.768 0.068 6 0 "[ . 1 . 2 ]" 1
104 1 89 VAL HB 1 90 ILE H 4.000 . 5.000 4.384 3.983 4.533 . 0 0 "[ . 1 . 2 ]" 1
105 1 48 PHE QB 1 49 ASP H 4.000 . 6.000 2.643 1.940 4.013 . 0 0 "[ . 1 . 2 ]" 1
106 1 89 VAL HA 1 90 ILE H 3.000 . 3.500 2.235 2.144 2.353 . 0 0 "[ . 1 . 2 ]" 1
107 1 89 VAL MG1 1 90 ILE H 3.000 . 5.000 3.180 2.155 3.598 . 0 0 "[ . 1 . 2 ]" 1
108 1 89 VAL MG2 1 90 ILE H 4.000 . 6.500 4.129 3.684 4.322 . 0 0 "[ . 1 . 2 ]" 1
109 1 101 VAL HB 1 102 GLU H 4.000 . 5.000 3.203 2.686 3.721 . 0 0 "[ . 1 . 2 ]" 1
110 1 101 VAL MG1 1 102 GLU H 3.000 . 5.000 3.601 3.186 4.109 . 0 0 "[ . 1 . 2 ]" 1
111 1 33 VAL HB 1 34 GLY H 2.500 . 2.700 2.101 1.851 2.747 0.047 18 0 "[ . 1 . 2 ]" 1
112 1 74 GLY H 1 75 ALA H 4.000 . 5.000 4.253 2.909 4.675 . 0 0 "[ . 1 . 2 ]" 1
113 1 74 GLY QA 1 75 ALA H 3.000 . 4.500 2.265 2.174 2.406 . 0 0 "[ . 1 . 2 ]" 1
114 1 97 GLY QA 1 98 ASN H 2.500 . 3.700 2.469 2.208 2.826 . 0 0 "[ . 1 . 2 ]" 1
115 1 98 ASN H 1 99 ASN H 3.000 . 3.500 2.753 2.015 3.519 0.019 4 0 "[ . 1 . 2 ]" 1
116 1 33 VAL MG1 1 34 GLY H 4.000 . 6.500 3.484 2.122 3.909 . 0 0 "[ . 1 . 2 ]" 1
117 1 96 SER HA 1 97 GLY H 2.500 . 2.700 2.430 2.212 2.907 0.207 24 0 "[ . 1 . 2 ]" 1
118 1 66 ASP QB 1 67 VAL H 4.000 . 6.000 3.157 1.945 4.029 . 0 0 "[ . 1 . 2 ]" 1
119 1 66 ASP HA 1 67 VAL H 4.000 . 5.000 2.763 2.167 3.608 . 0 0 "[ . 1 . 2 ]" 1
120 1 21 ALA HA 1 24 TYR H 3.000 . 3.500 3.394 3.123 3.575 0.075 11 0 "[ . 1 . 2 ]" 1
121 1 13 SER HA 1 17 SER H 4.000 . 5.000 4.560 4.092 4.987 . 0 0 "[ . 1 . 2 ]" 1
122 1 17 SER H 1 18 THR H 4.000 . 5.000 2.711 2.525 2.851 . 0 0 "[ . 1 . 2 ]" 1
123 1 16 VAL H 1 17 SER H 3.000 . 3.500 2.553 2.395 2.759 . 0 0 "[ . 1 . 2 ]" 1
124 1 16 VAL HB 1 17 SER H 3.000 . 3.500 2.834 2.640 2.989 . 0 0 "[ . 1 . 2 ]" 1
125 1 16 VAL MG1 1 17 SER H 3.000 . 5.000 3.869 3.653 4.054 . 0 0 "[ . 1 . 2 ]" 1
126 1 14 SER HA 1 17 SER H 4.000 . 5.000 3.391 3.115 3.624 . 0 0 "[ . 1 . 2 ]" 1
127 1 22 ALA H 1 24 TYR H 4.000 . 5.000 3.513 3.289 3.754 . 0 0 "[ . 1 . 2 ]" 1
128 1 24 TYR H 1 25 GLN H 3.000 . 3.500 2.624 2.294 2.940 . 0 0 "[ . 1 . 2 ]" 1
129 1 35 SER HA 1 36 ASN H 4.000 . 5.000 3.267 2.542 3.582 . 0 0 "[ . 1 . 2 ]" 1
130 1 36 ASN H 1 37 SER H 3.000 . 3.500 2.519 1.874 3.466 . 0 0 "[ . 1 . 2 ]" 1
131 1 1 ALA MB 1 2 CYS H 2.500 . 4.200 2.665 1.978 3.364 . 0 0 "[ . 1 . 2 ]" 1
132 1 1 ALA HA 1 2 CYS H 2.500 . 2.700 2.412 2.210 2.832 0.132 3 0 "[ . 1 . 2 ]" 1
133 1 81 ASN H 1 83 ASN H 3.000 . 3.500 3.366 3.118 3.644 0.144 20 0 "[ . 1 . 2 ]" 1
134 1 80 PHE HA 1 81 ASN H 2.500 . 2.700 2.723 2.625 2.783 0.083 19 0 "[ . 1 . 2 ]" 1
135 1 80 PHE HB2 1 81 ASN H 3.000 . 3.500 2.093 2.023 2.177 . 0 0 "[ . 1 . 2 ]" 1
136 1 81 ASN H 1 85 GLN H 4.000 . 5.000 3.613 2.973 3.954 . 0 0 "[ . 1 . 2 ]" 1
137 1 81 ASN H 1 82 GLU H 2.500 . 2.700 2.556 1.951 2.873 0.173 16 0 "[ . 1 . 2 ]" 1
138 1 80 PHE HB3 1 81 ASN H 4.000 . 5.000 3.587 3.533 3.642 . 0 0 "[ . 1 . 2 ]" 1
139 1 42 TYR HA 1 43 ASN H 2.500 . 2.700 2.311 2.177 2.519 . 0 0 "[ . 1 . 2 ]" 1
140 1 42 TYR QD 1 45 TYR H 4.000 . 7.000 5.503 4.732 6.592 . 0 0 "[ . 1 . 2 ]" 1
141 1 44 ASN H 1 45 TYR H 3.000 . 5.000 3.818 1.943 4.690 . 0 0 "[ . 1 . 2 ]" 1
142 1 43 ASN H 1 44 ASN H 3.000 . 3.500 2.740 1.872 3.594 0.094 11 0 "[ . 1 . 2 ]" 1
143 1 44 ASN QB 1 45 TYR H 3.000 . 4.500 2.888 1.846 3.981 . 0 0 "[ . 1 . 2 ]" 1
144 1 27 HIS HA 1 28 GLU H 3.000 . 3.500 3.542 3.454 3.593 0.093 14 0 "[ . 1 . 2 ]" 1
145 1 27 HIS QB 1 28 GLU H 4.000 . 6.000 2.673 2.138 3.188 . 0 0 "[ . 1 . 2 ]" 1
146 1 103 CYS HA 1 104 THR H . . 2.700 2.284 2.183 2.607 . 0 0 "[ . 1 . 2 ]" 1
147 1 27 HIS H 1 28 GLU H 3.000 . 3.500 2.781 2.285 3.201 . 0 0 "[ . 1 . 2 ]" 1
148 1 25 GLN HA 1 28 GLU H 4.000 . 5.000 3.524 3.187 3.996 . 0 0 "[ . 1 . 2 ]" 1
149 1 28 GLU H 1 29 ASP H 3.000 . 3.500 2.460 2.241 2.728 . 0 0 "[ . 1 . 2 ]" 1
150 1 27 HIS HD1 1 28 GLU H 4.000 . 6.000 4.062 1.938 4.649 . 0 0 "[ . 1 . 2 ]" 1
151 1 3 ASP H 1 4 TYR QD 4.000 . 7.000 4.415 3.626 4.976 . 0 0 "[ . 1 . 2 ]" 1
152 1 58 GLU HA 1 59 TRP H 2.500 . 2.700 2.192 2.163 2.256 . 0 0 "[ . 1 . 2 ]" 1
153 1 85 GLN HA 1 86 LEU H 3.000 . 3.500 3.405 2.835 3.589 0.089 20 0 "[ . 1 . 2 ]" 1
154 1 2 CYS HA 1 3 ASP H 2.500 . 2.700 2.234 2.190 2.390 . 0 0 "[ . 1 . 2 ]" 1
155 1 85 GLN QG 1 86 LEU H 2.500 . 3.700 3.412 3.031 3.668 . 0 0 "[ . 1 . 2 ]" 1
156 1 85 GLN HB3 1 86 LEU H 4.000 . 5.000 3.459 1.878 4.249 . 0 0 "[ . 1 . 2 ]" 1
157 1 85 GLN HB2 1 86 LEU H 3.000 . 3.500 2.741 1.739 3.468 0.061 22 0 "[ . 1 . 2 ]" 1
158 1 2 CYS QB 1 3 ASP H 4.000 . 6.000 3.379 2.629 4.048 . 0 0 "[ . 1 . 2 ]" 1
159 1 85 GLN H 1 86 LEU H 4.000 . 5.000 3.115 2.378 4.549 . 0 0 "[ . 1 . 2 ]" 1
160 1 18 THR H 1 19 ALA H 2.500 . 2.900 2.733 2.530 2.912 0.012 3 0 "[ . 1 . 2 ]" 1
161 1 17 SER HA 1 18 THR H 4.000 . 5.000 3.571 3.536 3.592 . 0 0 "[ . 1 . 2 ]" 1
162 1 95 ALA HA 1 96 SER H 2.500 . 2.700 2.412 2.203 2.955 0.255 8 0 "[ . 1 . 2 ]" 1
163 1 95 ALA H 1 96 SER H 4.000 . 5.000 4.152 2.591 4.708 . 0 0 "[ . 1 . 2 ]" 1
164 1 95 ALA MB 1 96 SER H 2.500 . 4.200 2.922 1.965 3.714 . 0 0 "[ . 1 . 2 ]" 1
165 1 96 SER H 1 99 ASN QB 4.000 . 6.000 4.320 3.101 5.103 . 0 0 "[ . 1 . 2 ]" 1
166 1 3 ASP HB2 1 4 TYR H 4.000 . 5.000 4.003 3.414 4.412 . 0 0 "[ . 1 . 2 ]" 1
167 1 3 ASP HA 1 4 TYR H 4.000 . 5.000 3.443 3.280 3.586 . 0 0 "[ . 1 . 2 ]" 1
168 1 47 GLY HA3 1 48 PHE H 4.000 . 5.000 3.466 2.465 3.595 . 0 0 "[ . 1 . 2 ]" 1
169 1 47 GLY H 1 48 PHE H 3.000 . 3.500 2.165 1.784 3.320 0.016 10 0 "[ . 1 . 2 ]" 1
170 1 47 GLY HA2 1 48 PHE H 4.000 . 5.000 2.885 2.564 3.581 . 0 0 "[ . 1 . 2 ]" 1
171 1 9 ASN QB 1 10 CYS H 4.000 . 6.000 2.828 1.832 3.944 . 0 0 "[ . 1 . 2 ]" 1
172 1 48 PHE H 1 49 ASP HA 4.000 . 5.000 5.062 4.684 5.307 0.307 6 0 "[ . 1 . 2 ]" 1
173 1 13 SER QB 1 14 SER H 3.000 . 4.500 3.395 2.889 3.729 . 0 0 "[ . 1 . 2 ]" 1
174 1 12 SER HA 1 14 SER H 4.000 . 5.000 3.711 3.599 4.002 . 0 0 "[ . 1 . 2 ]" 1
175 1 13 SER HA 1 14 SER H 4.000 . 5.000 3.494 3.437 3.562 . 0 0 "[ . 1 . 2 ]" 1
176 1 14 SER QB 1 15 ASP H 3.000 . 4.500 2.775 2.350 3.539 . 0 0 "[ . 1 . 2 ]" 1
177 1 79 VAL H 1 86 LEU MD1 4.000 . 5.000 3.443 2.310 3.946 . 0 0 "[ . 1 . 2 ]" 1
178 1 78 VAL MG2 1 79 VAL H 4.000 . 6.500 2.316 1.772 3.258 . 0 0 "[ . 1 . 2 ]" 1
179 1 78 VAL HA 1 79 VAL H 3.000 . 3.500 2.294 2.172 2.697 . 0 0 "[ . 1 . 2 ]" 1
180 1 79 VAL H 1 88 GLY H 4.000 . 5.000 2.921 2.619 3.318 . 0 0 "[ . 1 . 2 ]" 1
181 1 78 VAL MG1 1 79 VAL H 3.000 . 5.000 3.549 2.401 3.957 . 0 0 "[ . 1 . 2 ]" 1
182 1 61 ILE MD 1 62 LEU H 3.000 . 5.000 1.879 1.562 2.159 . 0 0 "[ . 1 . 2 ]" 1
183 1 78 VAL HB 1 79 VAL H 4.000 . 5.000 4.156 3.776 4.447 . 0 0 "[ . 1 . 2 ]" 1
184 1 12 SER HA 1 15 ASP H 4.000 . 5.000 4.296 4.074 4.682 . 0 0 "[ . 1 . 2 ]" 1
185 1 15 ASP H 1 16 VAL HA 4.000 . 5.000 5.103 5.011 5.174 0.174 22 0 "[ . 1 . 2 ]" 1
186 1 83 ASN QB 1 84 ASN H 3.000 . 4.500 3.668 3.369 4.001 . 0 0 "[ . 1 . 2 ]" 1
187 1 15 ASP H 1 16 VAL H 2.500 . 2.700 2.441 2.332 2.505 . 0 0 "[ . 1 . 2 ]" 1
188 1 83 ASN HB2 1 84 ASN H 4.000 . 5.000 4.156 3.789 4.678 . 0 0 "[ . 1 . 2 ]" 1
189 1 84 ASN H 1 85 GLN H 2.500 . 2.700 2.679 2.454 2.815 0.115 13 0 "[ . 1 . 2 ]" 1
190 1 83 ASN HA 1 84 ASN H 4.000 . 5.000 3.094 2.692 3.364 . 0 0 "[ . 1 . 2 ]" 1
191 1 83 ASN H 1 84 ASN H 2.500 . 2.700 2.225 1.876 2.725 0.025 23 0 "[ . 1 . 2 ]" 1
192 1 79 VAL HA 1 80 PHE H 2.500 . 2.700 2.424 2.347 2.591 . 0 0 "[ . 1 . 2 ]" 1
193 1 68 TYR QB 1 69 SER H 4.000 . 6.000 3.668 1.990 4.022 . 0 0 "[ . 1 . 2 ]" 1
194 1 79 VAL MG1 1 80 PHE H 3.000 . 5.000 1.844 1.609 2.303 . 0 0 "[ . 1 . 2 ]" 1
195 1 14 SER HA 1 15 ASP H 4.000 . 5.000 3.553 3.505 3.590 . 0 0 "[ . 1 . 2 ]" 1
196 1 68 TYR HA 1 69 SER H 2.500 . 2.700 2.258 2.142 2.826 0.126 16 0 "[ . 1 . 2 ]" 1
197 1 55 PRO HA 1 56 TYR H . . 2.700 2.318 2.205 2.404 . 0 0 "[ . 1 . 2 ]" 1
198 1 54 SER HB2 1 56 TYR H 4.000 . 5.000 5.144 4.786 5.224 0.224 21 0 "[ . 1 . 2 ]" 1
199 1 31 GLU HB2 1 32 THR H 3.000 . 3.500 3.490 3.255 3.785 0.285 11 0 "[ . 1 . 2 ]" 1
200 1 54 SER HA 1 56 TYR H 4.000 . 5.000 4.701 4.530 5.280 0.280 6 0 "[ . 1 . 2 ]" 1
201 1 31 GLU QG 1 32 THR H 3.000 . 4.500 2.525 1.798 4.066 . 0 0 "[ . 1 . 2 ]" 1
202 1 31 GLU HB3 1 32 THR H 4.000 . 5.000 2.209 1.919 3.751 . 0 0 "[ . 1 . 2 ]" 1
203 1 55 PRO QB 1 56 TYR H 3.000 . 4.500 3.852 3.745 3.915 . 0 0 "[ . 1 . 2 ]" 1
204 1 56 TYR H 1 57 TYR QD 4.000 . 7.000 4.983 4.587 5.395 . 0 0 "[ . 1 . 2 ]" 1
205 1 56 TYR H 1 57 TYR QE 4.000 . 7.000 5.130 4.673 5.634 . 0 0 "[ . 1 . 2 ]" 1
206 1 39 PRO HA 1 40 HIS H 3.000 . 3.500 2.230 2.106 2.293 . 0 0 "[ . 1 . 2 ]" 1
207 1 39 PRO QB 1 40 HIS H 4.000 . 6.000 3.691 3.540 3.764 . 0 0 "[ . 1 . 2 ]" 1
208 1 38 TYR HA 1 40 HIS H 4.000 . 5.000 5.084 4.908 5.236 0.236 24 0 "[ . 1 . 2 ]" 1
209 1 88 GLY H 1 89 VAL H 4.000 . 5.000 4.282 4.027 4.426 . 0 0 "[ . 1 . 2 ]" 1
210 1 89 VAL H 1 90 ILE MG 4.000 . 6.500 4.264 3.636 4.877 . 0 0 "[ . 1 . 2 ]" 1
211 1 8 SER HA 1 9 ASN H 4.000 . 5.000 2.949 2.669 3.282 . 0 0 "[ . 1 . 2 ]" 1
212 1 21 ALA H 1 23 GLY H 4.000 . 5.000 4.544 4.084 4.967 . 0 0 "[ . 1 . 2 ]" 1
213 1 20 GLN HA 1 21 ALA H 4.000 . 5.000 3.478 3.365 3.543 . 0 0 "[ . 1 . 2 ]" 1
214 1 17 SER HA 1 21 ALA H 4.000 . 5.000 4.233 4.000 4.462 . 0 0 "[ . 1 . 2 ]" 1
215 1 21 ALA H 1 22 ALA H 2.500 . 2.700 2.374 2.135 2.567 . 0 0 "[ . 1 . 2 ]" 1
216 1 20 GLN QB 1 21 ALA H 3.000 . 4.500 2.938 2.703 3.246 . 0 0 "[ . 1 . 2 ]" 1
217 1 18 THR HA 1 21 ALA H 3.000 . 3.500 3.412 3.180 3.511 0.011 20 0 "[ . 1 . 2 ]" 1
218 1 53 SER HA 1 54 SER H 2.500 . 2.700 2.523 2.319 2.714 0.014 17 0 "[ . 1 . 2 ]" 1
219 1 30 GLY H 1 31 GLU H 3.000 . 3.500 2.680 2.436 3.142 . 0 0 "[ . 1 . 2 ]" 1
220 1 29 ASP HB2 1 31 GLU H 4.000 . 5.000 3.859 2.920 4.570 . 0 0 "[ . 1 . 2 ]" 1
221 1 64 SER HA 1 65 GLY H 4.000 . 5.000 3.334 2.688 3.599 . 0 0 "[ . 1 . 2 ]" 1
222 1 64 SER H 1 65 GLY H 4.000 . 5.000 2.549 1.886 4.414 . 0 0 "[ . 1 . 2 ]" 1
223 1 65 GLY H 1 66 ASP H 3.000 . 3.500 2.833 2.022 3.524 0.024 11 0 "[ . 1 . 2 ]" 1
224 1 13 SER HA 1 16 VAL H 4.000 . 5.000 3.436 3.146 3.777 . 0 0 "[ . 1 . 2 ]" 1
225 1 83 ASN H 1 85 GLN H 4.000 . 5.000 2.981 2.392 3.645 . 0 0 "[ . 1 . 2 ]" 1
226 1 15 ASP QB 1 16 VAL H 4.000 . 5.000 2.870 2.708 3.098 . 0 0 "[ . 1 . 2 ]" 1
227 1 93 THR MG 1 95 ALA H 4.000 . 6.500 4.501 4.158 4.972 . 0 0 "[ . 1 . 2 ]" 1
228 1 94 GLY QA 1 95 ALA H 4.000 . 6.000 2.926 2.845 2.967 . 0 0 "[ . 1 . 2 ]" 1
229 1 93 THR HA 1 95 ALA H 3.000 . 3.500 3.472 3.163 3.819 0.319 8 0 "[ . 1 . 2 ]" 1
230 1 94 GLY HA2 1 95 ALA H 4.000 . 5.000 3.342 3.043 3.521 . 0 0 "[ . 1 . 2 ]" 1
231 1 49 ASP HB3 1 50 PHE H 4.000 . 5.000 3.935 2.822 4.627 . 0 0 "[ . 1 . 2 ]" 1
232 1 26 LEU QB 1 27 HIS H 4.000 . 6.000 2.663 2.474 3.025 . 0 0 "[ . 1 . 2 ]" 1
233 1 26 LEU MD1 1 27 HIS H 4.000 . 6.500 4.318 3.180 4.865 . 0 0 "[ . 1 . 2 ]" 1
234 1 26 LEU HG 1 27 HIS H 4.000 . 5.000 4.872 3.356 5.074 0.074 23 0 "[ . 1 . 2 ]" 1
235 1 49 ASP HB2 1 50 PHE H 4.000 . 5.000 3.924 2.661 4.684 . 0 0 "[ . 1 . 2 ]" 1
236 1 24 TYR HA 1 27 HIS H 4.000 . 5.000 3.439 3.157 3.726 . 0 0 "[ . 1 . 2 ]" 1
237 1 26 LEU H 1 27 HIS H 3.000 . 3.500 2.735 2.453 2.994 . 0 0 "[ . 1 . 2 ]" 1
238 1 23 GLY HA3 1 27 HIS H 4.000 . 5.000 4.983 4.873 5.061 0.061 6 0 "[ . 1 . 2 ]" 1
239 1 26 LEU HA 1 27 HIS H 4.000 . 5.000 3.535 3.445 3.565 . 0 0 "[ . 1 . 2 ]" 1
240 1 49 ASP HA 1 50 PHE H 4.000 . 5.000 3.078 2.214 3.574 . 0 0 "[ . 1 . 2 ]" 1
241 1 73 PRO HA 1 74 GLY H 4.000 . 5.000 2.844 2.201 3.609 . 0 0 "[ . 1 . 2 ]" 1
242 1 36 ASN HA 1 37 SER H 4.000 . 5.000 3.306 2.608 3.578 . 0 0 "[ . 1 . 2 ]" 1
243 1 81 ASN QB 1 82 GLU H 3.000 . 4.500 2.404 1.870 3.417 . 0 0 "[ . 1 . 2 ]" 1
244 1 81 ASN HA 1 82 GLU H 3.000 . 3.500 3.538 3.525 3.553 0.053 5 0 "[ . 1 . 2 ]" 1
245 1 82 GLU H 1 83 ASN H 3.000 . 3.500 1.845 1.749 1.951 0.051 16 0 "[ . 1 . 2 ]" 1
246 1 82 GLU H 1 83 ASN HB3 4.000 . 5.000 4.735 3.643 5.062 0.062 16 0 "[ . 1 . 2 ]" 1
247 1 62 LEU HA 1 64 SER H 4.000 . 5.000 4.306 3.908 4.955 . 0 0 "[ . 1 . 2 ]" 1
248 1 62 LEU HB2 1 64 SER H 4.000 . 5.000 2.927 2.492 4.151 . 0 0 "[ . 1 . 2 ]" 1
249 1 28 GLU HA 1 30 GLY H 4.000 . 5.000 3.751 3.267 4.114 . 0 0 "[ . 1 . 2 ]" 1
250 1 30 GLY H 1 31 GLU QB 4.000 . 6.000 4.470 4.129 4.747 . 0 0 "[ . 1 . 2 ]" 1
251 1 29 ASP HB2 1 30 GLY H 4.000 . 5.000 3.921 3.155 4.327 . 0 0 "[ . 1 . 2 ]" 1
252 1 29 ASP HB3 1 30 GLY H 4.000 . 5.000 3.529 2.996 4.144 . 0 0 "[ . 1 . 2 ]" 1
253 1 59 TRP HZ2 1 67 VAL MG1 2.500 . 4.200 1.811 1.640 2.155 . 0 0 "[ . 1 . 2 ]" 1
254 1 59 TRP HZ2 1 67 VAL MG2 4.000 . 6.500 3.752 3.392 4.281 . 0 0 "[ . 1 . 2 ]" 1
255 1 18 THR HA 1 19 ALA H 3.000 . 3.500 3.562 3.521 3.584 0.084 6 0 "[ . 1 . 2 ]" 1
256 1 18 THR HB 1 19 ALA H 3.000 . 3.500 2.828 2.302 3.177 . 0 0 "[ . 1 . 2 ]" 1
257 1 28 GLU HA 1 29 ASP H 4.000 . 5.000 3.385 3.193 3.550 . 0 0 "[ . 1 . 2 ]" 1
258 1 28 GLU QB 1 29 ASP H 3.000 . 4.500 3.232 2.562 3.983 . 0 0 "[ . 1 . 2 ]" 1
259 1 65 GLY HA3 1 66 ASP H 4.000 . 5.000 3.180 2.202 3.593 . 0 0 "[ . 1 . 2 ]" 1
260 1 65 GLY HA2 1 66 ASP H 4.000 . 5.000 3.063 2.304 3.588 . 0 0 "[ . 1 . 2 ]" 1
261 1 22 ALA HA 1 25 GLN H 4.000 . 5.000 3.685 3.129 4.111 . 0 0 "[ . 1 . 2 ]" 1
262 1 21 ALA HA 1 25 GLN H 4.000 . 5.000 3.550 3.107 4.177 . 0 0 "[ . 1 . 2 ]" 1
263 1 25 GLN H 1 26 LEU H 3.000 . 3.500 2.879 2.575 3.150 . 0 0 "[ . 1 . 2 ]" 1
264 1 24 TYR QD 1 25 GLN H 4.000 . 5.500 3.467 2.557 4.140 . 0 0 "[ . 1 . 2 ]" 1
265 1 24 TYR HA 1 25 GLN H 4.000 . 5.000 3.576 3.519 3.602 . 0 0 "[ . 1 . 2 ]" 1
266 1 24 TYR QB 1 25 GLN H 3.000 . 4.500 2.444 2.142 2.939 . 0 0 "[ . 1 . 2 ]" 1
267 1 59 TRP HE3 1 60 PRO HD2 4.000 . 5.000 2.672 2.446 2.882 . 0 0 "[ . 1 . 2 ]" 1
268 1 39 PRO HA 1 40 HIS HD1 3.000 . 5.000 4.515 3.640 4.987 . 0 0 "[ . 1 . 2 ]" 1
269 1 79 VAL HA 1 80 PHE QD 4.000 . 7.000 2.399 2.195 3.734 . 0 0 "[ . 1 . 2 ]" 1
270 1 78 VAL MG1 1 80 PHE QD 2.500 . 6.200 3.424 2.775 3.848 . 0 0 "[ . 1 . 2 ]" 1
271 1 81 ASN HA 1 83 ASN H 4.000 . 5.000 5.033 4.950 5.104 0.104 8 0 "[ . 1 . 2 ]" 1
272 1 82 GLU HB2 1 83 ASN H 4.000 . 5.000 3.955 3.143 4.484 . 0 0 "[ . 1 . 2 ]" 1
273 1 82 GLU HB3 1 83 ASN H 4.000 . 5.000 4.302 3.435 4.670 . 0 0 "[ . 1 . 2 ]" 1
274 1 82 GLU HA 1 83 ASN H 4.000 . 5.000 3.252 3.013 3.494 . 0 0 "[ . 1 . 2 ]" 1
275 1 46 GLU HB3 1 47 GLY H 4.000 . 5.000 2.492 1.915 3.349 . 0 0 "[ . 1 . 2 ]" 1
276 1 45 TYR HA 1 47 GLY H 4.000 . 5.000 4.238 3.120 4.922 . 0 0 "[ . 1 . 2 ]" 1
277 1 46 GLU HB2 1 47 GLY H 4.000 . 5.000 3.408 3.034 4.379 . 0 0 "[ . 1 . 2 ]" 1
278 1 22 ALA HA 1 23 GLY H 4.000 . 5.000 3.598 3.563 3.615 . 0 0 "[ . 1 . 2 ]" 1
279 1 22 ALA H 1 23 GLY H 2.500 . 2.700 2.600 2.404 2.726 0.026 10 0 "[ . 1 . 2 ]" 1
280 1 22 ALA MB 1 23 GLY H 2.500 . 4.200 2.275 2.071 2.603 . 0 0 "[ . 1 . 2 ]" 1
281 1 23 GLY H 1 24 TYR HB3 4.000 . 5.000 4.616 4.335 4.873 . 0 0 "[ . 1 . 2 ]" 1
282 1 60 PRO HA 1 61 ILE H 3.000 . 3.500 2.229 2.155 2.352 . 0 0 "[ . 1 . 2 ]" 1
283 1 21 ALA HA 1 22 ALA H 4.000 . 5.000 3.410 3.314 3.477 . 0 0 "[ . 1 . 2 ]" 1
284 1 21 ALA MB 1 22 ALA H 2.500 . 4.200 3.096 2.922 3.303 . 0 0 "[ . 1 . 2 ]" 1
285 1 87 ALA MB 1 88 GLY H 2.500 . 4.200 2.530 2.199 2.840 . 0 0 "[ . 1 . 2 ]" 1
286 1 87 ALA HA 1 88 GLY H 4.000 . 5.000 3.538 3.480 3.571 . 0 0 "[ . 1 . 2 ]" 1
287 1 75 ALA MB 1 92 HIS HD1 3.000 . 7.500 5.668 5.179 5.842 . 0 0 "[ . 1 . 2 ]" 1
288 1 50 PHE HA 1 52 VAL H 4.000 . 5.000 4.543 4.157 4.984 . 0 0 "[ . 1 . 2 ]" 1
289 1 51 SER HA 1 52 VAL H 4.000 . 5.000 2.938 2.640 3.442 . 0 0 "[ . 1 . 2 ]" 1
290 1 25 GLN HA 1 26 LEU H 4.000 . 5.000 3.568 3.525 3.591 . 0 0 "[ . 1 . 2 ]" 1
291 1 25 GLN HB2 1 26 LEU H 3.000 . 3.500 3.238 2.864 3.568 0.068 17 0 "[ . 1 . 2 ]" 1
292 1 43 ASN HB2 1 45 TYR QE 4.000 . 7.000 3.808 1.923 5.875 . 0 0 "[ . 1 . 2 ]" 1
293 1 21 ALA MB 1 24 TYR QD 3.000 . 5.500 3.443 3.074 3.781 . 0 0 "[ . 1 . 2 ]" 1
294 1 54 SER HB2 1 56 TYR QD 4.000 . 7.000 6.043 4.813 6.567 . 0 0 "[ . 1 . 2 ]" 1
295 1 3 ASP HA 1 4 TYR QD 4.000 . 7.000 5.567 5.148 5.870 . 0 0 "[ . 1 . 2 ]" 1
296 1 42 TYR QE 1 44 ASN H 4.000 . 7.000 3.405 2.725 4.922 . 0 0 "[ . 1 . 2 ]" 1
297 1 78 VAL MG1 1 80 PHE QE 4.000 . 8.500 4.347 3.556 5.008 . 0 0 "[ . 1 . 2 ]" 1
298 1 52 VAL MG1 1 56 TYR QE 4.000 . 7.500 3.128 2.278 4.662 . 0 0 "[ . 1 . 2 ]" 1
299 1 52 VAL MG2 1 56 TYR QE 2.500 . 6.200 2.966 2.094 4.040 . 0 0 "[ . 1 . 2 ]" 1
300 1 52 VAL HB 1 56 TYR QE 4.000 . 7.000 2.081 1.829 3.987 . 0 0 "[ . 1 . 2 ]" 1
301 1 54 SER HA 1 56 TYR QE 3.000 . 5.500 4.011 3.115 4.954 . 0 0 "[ . 1 . 2 ]" 1
302 1 48 PHE HB2 1 50 PHE QD 4.000 . 7.000 3.860 2.781 5.299 . 0 0 "[ . 1 . 2 ]" 1
303 1 27 HIS HD2 1 28 GLU HA 4.000 . 5.000 4.959 4.666 5.051 0.051 6 0 "[ . 1 . 2 ]" 1
304 1 59 TRP HD1 1 61 ILE MD 4.000 . 6.500 4.729 4.307 5.023 . 0 0 "[ . 1 . 2 ]" 1
305 1 59 TRP HD1 1 60 PRO HD2 4.000 . 5.000 4.193 3.903 4.332 . 0 0 "[ . 1 . 2 ]" 1
306 1 48 PHE HB3 1 50 PHE QE 4.000 . 7.000 3.042 2.040 4.047 . 0 0 "[ . 1 . 2 ]" 1
307 1 48 PHE HB2 1 50 PHE HZ 4.000 . 5.000 3.702 2.452 4.587 . 0 0 "[ . 1 . 2 ]" 1
308 1 48 PHE QD 1 50 PHE HZ 4.000 . 7.000 2.924 1.988 4.256 . 0 0 "[ . 1 . 2 ]" 1
309 1 50 PHE HZ 1 90 ILE MD 4.000 . 6.500 3.927 3.122 5.314 . 0 0 "[ . 1 . 2 ]" 1
310 1 41 LYS HA 1 57 TYR QD 3.000 . 7.000 2.538 2.031 2.977 . 0 0 "[ . 1 . 2 ]" 1
311 1 41 LYS HA 1 57 TYR QE 3.000 . 5.500 3.479 3.057 3.974 . 0 0 "[ . 1 . 2 ]" 1
312 1 57 TYR QD 1 81 ASN HA 3.000 . 5.500 2.215 1.866 2.843 . 0 0 "[ . 1 . 2 ]" 1
313 1 57 TYR QE 1 81 ASN HA 3.000 . 5.500 3.267 2.602 3.843 . 0 0 "[ . 1 . 2 ]" 1
314 1 40 HIS HA 1 57 TYR QD 4.000 . 7.000 3.154 2.788 3.852 . 0 0 "[ . 1 . 2 ]" 1
315 1 40 HIS HA 1 57 TYR QE 4.000 . 7.000 4.185 3.746 4.942 . 0 0 "[ . 1 . 2 ]" 1
316 1 41 LYS HB3 1 57 TYR QD 2.500 . 4.700 3.765 3.085 4.317 . 0 0 "[ . 1 . 2 ]" 1
317 1 41 LYS HB3 1 57 TYR QE 3.000 . 5.500 2.996 1.967 3.629 . 0 0 "[ . 1 . 2 ]" 1
318 1 11 TYR QE 1 63 SER HA 2.500 . 4.700 3.747 2.630 4.600 . 0 0 "[ . 1 . 2 ]" 1
319 1 9 ASN HB3 1 11 TYR QE 4.000 . 7.000 2.721 1.968 4.937 . 0 0 "[ . 1 . 2 ]" 1
320 1 11 TYR QE 1 61 ILE MD 3.000 . 7.000 2.918 1.789 4.111 . 0 0 "[ . 1 . 2 ]" 1
321 1 11 TYR QE 1 61 ILE MG 4.000 . 8.500 3.808 2.949 4.643 . 0 0 "[ . 1 . 2 ]" 1
322 1 11 TYR QE 1 76 ASP HB2 4.000 . 7.000 4.448 3.132 6.368 . 0 0 "[ . 1 . 2 ]" 1
323 1 79 VAL MG1 1 81 ASN HA 4.000 . 6.500 4.656 4.274 5.239 . 0 0 "[ . 1 . 2 ]" 1
324 1 56 TYR HA 1 81 ASN HA 4.000 . 5.000 2.594 2.008 3.073 . 0 0 "[ . 1 . 2 ]" 1
325 1 43 ASN HA 1 44 ASN H 4.000 . 5.000 3.227 2.261 3.597 . 0 0 "[ . 1 . 2 ]" 1
326 1 75 ALA MB 1 91 THR HA 4.000 . 6.500 4.715 3.844 5.412 . 0 0 "[ . 1 . 2 ]" 1
327 1 76 ASP HA 1 91 THR HA 3.000 . 3.500 2.475 1.866 3.279 . 0 0 "[ . 1 . 2 ]" 1
328 1 80 PHE HA 1 86 LEU QB 4.000 . 6.000 5.098 4.476 5.315 . 0 0 "[ . 1 . 2 ]" 1
329 1 79 VAL MG1 1 80 PHE HA 4.000 . 6.500 3.350 2.883 4.472 . 0 0 "[ . 1 . 2 ]" 1
330 1 80 PHE HA 1 86 LEU HA 4.000 . 5.000 3.173 2.553 3.509 . 0 0 "[ . 1 . 2 ]" 1
331 1 80 PHE HA 1 86 LEU MD2 4.000 . 6.500 4.438 3.946 5.401 . 0 0 "[ . 1 . 2 ]" 1
332 1 79 VAL HA 1 80 PHE HA 4.000 . 5.000 4.560 4.517 4.654 . 0 0 "[ . 1 . 2 ]" 1
333 1 39 PRO HA 1 60 PRO QD 4.000 . 6.000 4.388 4.165 4.784 . 0 0 "[ . 1 . 2 ]" 1
334 1 38 TYR HA 1 39 PRO HA 4.000 . 5.000 4.769 4.706 4.820 . 0 0 "[ . 1 . 2 ]" 1
335 1 38 TYR QB 1 39 PRO HA 4.000 . 6.000 3.881 3.798 3.997 . 0 0 "[ . 1 . 2 ]" 1
336 1 39 PRO HA 1 59 TRP HA 4.000 . 5.000 3.532 3.374 3.819 . 0 0 "[ . 1 . 2 ]" 1
337 1 75 ALA MB 1 76 ASP HA 4.000 . 6.500 4.064 3.855 4.272 . 0 0 "[ . 1 . 2 ]" 1
338 1 76 ASP HA 1 91 THR HB 4.000 . 5.000 3.426 2.406 4.471 . 0 0 "[ . 1 . 2 ]" 1
339 1 12 SER HA 1 13 SER HA 4.000 . 5.000 4.403 4.335 4.450 . 0 0 "[ . 1 . 2 ]" 1
340 1 12 SER HA 1 13 SER QB 4.000 . 6.000 4.425 4.133 4.847 . 0 0 "[ . 1 . 2 ]" 1
341 1 59 TRP HA 1 60 PRO QD 3.000 . 4.500 1.962 1.928 2.018 . 0 0 "[ . 1 . 2 ]" 1
342 1 59 TRP HA 1 60 PRO QG 4.000 . 6.000 3.896 3.874 3.950 . 0 0 "[ . 1 . 2 ]" 1
343 1 95 ALA MB 1 100 PHE HA 3.000 . 6.500 4.887 4.208 5.332 . 0 0 "[ . 1 . 2 ]" 1
344 1 92 HIS HA 1 100 PHE HA 4.000 . 5.000 3.344 2.400 3.793 . 0 0 "[ . 1 . 2 ]" 1
345 1 100 PHE HA 1 101 VAL MG2 4.000 . 6.500 3.281 3.011 3.765 . 0 0 "[ . 1 . 2 ]" 1
346 1 100 PHE HA 1 101 VAL MG1 4.000 . 6.500 4.183 3.400 4.806 . 0 0 "[ . 1 . 2 ]" 1
347 1 91 THR MG 1 100 PHE HA 3.000 . 5.000 3.703 2.890 4.064 . 0 0 "[ . 1 . 2 ]" 1
348 1 100 PHE HA 1 101 VAL HA 4.000 . 5.000 4.492 4.421 4.564 . 0 0 "[ . 1 . 2 ]" 1
349 1 58 GLU HA 1 79 VAL MG1 4.000 . 6.500 3.304 1.800 4.863 . 0 0 "[ . 1 . 2 ]" 1
350 1 90 ILE HA 1 102 GLU HA 3.000 . 3.500 2.780 2.039 3.206 . 0 0 "[ . 1 . 2 ]" 1
351 1 90 ILE HA 1 91 THR MG 4.000 . 6.500 3.913 3.418 4.282 . 0 0 "[ . 1 . 2 ]" 1
352 1 42 TYR HA 1 43 ASN QB 4.000 . 6.000 4.376 3.882 4.783 . 0 0 "[ . 1 . 2 ]" 1
353 1 100 PHE HB2 1 101 VAL HA 4.000 . 5.000 4.330 4.097 4.922 . 0 0 "[ . 1 . 2 ]" 1
354 1 14 SER HA 1 15 ASP QB 4.000 . 6.000 5.282 5.215 5.360 . 0 0 "[ . 1 . 2 ]" 1
355 1 78 VAL HA 1 89 VAL MG2 3.000 . 5.000 3.193 1.964 3.829 . 0 0 "[ . 1 . 2 ]" 1
356 1 78 VAL HA 1 89 VAL MG1 4.000 . 6.500 3.400 2.717 3.982 . 0 0 "[ . 1 . 2 ]" 1
357 1 19 ALA HA 1 22 ALA MB 2.500 . 4.200 2.584 2.133 2.985 . 0 0 "[ . 1 . 2 ]" 1
358 1 13 SER HA 1 16 VAL HB 4.000 . 5.000 2.884 1.895 3.652 . 0 0 "[ . 1 . 2 ]" 1
359 1 13 SER HA 1 16 VAL MG2 2.500 . 4.200 2.013 1.817 2.413 . 0 0 "[ . 1 . 2 ]" 1
360 1 54 SER HB2 1 55 PRO HA 4.000 . 5.000 3.875 3.790 4.625 . 0 0 "[ . 1 . 2 ]" 1
361 1 54 SER HA 1 55 PRO HA 4.000 . 5.000 4.770 4.391 4.806 . 0 0 "[ . 1 . 2 ]" 1
362 1 17 SER HA 1 20 GLN HB3 2.500 . 2.700 2.657 2.076 2.806 0.106 3 0 "[ . 1 . 2 ]" 1
363 1 91 THR MG 1 93 THR HB 2.500 . 5.000 3.789 3.139 4.057 . 0 0 "[ . 1 . 2 ]" 1
364 1 93 THR HB 1 94 GLY QA 4.000 . 6.000 4.544 3.666 5.351 . 0 0 "[ . 1 . 2 ]" 1
365 1 22 ALA HA 1 25 GLN HB3 4.000 . 5.000 3.855 2.801 4.652 . 0 0 "[ . 1 . 2 ]" 1
366 1 22 ALA HA 1 25 GLN HB2 3.000 . 3.500 3.307 2.612 3.598 0.098 12 0 "[ . 1 . 2 ]" 1
367 1 3 ASP HB2 1 13 SER HB3 4.000 . 5.000 3.997 2.907 5.008 0.008 7 0 "[ . 1 . 2 ]" 1
368 1 18 THR HA 1 21 ALA MB 2.500 . 4.200 3.031 2.800 3.265 . 0 0 "[ . 1 . 2 ]" 1
369 1 3 ASP QB 1 13 SER HB2 4.000 . 6.000 4.078 2.059 5.337 . 0 0 "[ . 1 . 2 ]" 1
370 1 26 LEU HA 1 29 ASP HB2 4.000 . 5.000 2.846 1.867 4.113 . 0 0 "[ . 1 . 2 ]" 1
371 1 26 LEU HA 1 29 ASP HB3 4.000 . 5.000 2.965 1.914 4.081 . 0 0 "[ . 1 . 2 ]" 1
372 1 21 ALA HA 1 24 TYR HB3 4.000 . 5.000 2.171 1.951 2.573 . 0 0 "[ . 1 . 2 ]" 1
373 1 21 ALA HA 1 24 TYR HB2 4.000 . 5.000 3.444 2.833 3.826 . 0 0 "[ . 1 . 2 ]" 1
374 1 88 GLY HA3 1 89 VAL MG2 4.000 . 6.500 4.468 3.894 4.909 . 0 0 "[ . 1 . 2 ]" 1
375 1 24 TYR QB 1 25 GLN HA 4.000 . 6.000 4.315 4.157 4.473 . 0 0 "[ . 1 . 2 ]" 1
376 1 25 GLN HA 1 28 GLU HB3 4.000 . 5.000 3.635 2.664 4.837 . 0 0 "[ . 1 . 2 ]" 1
377 1 24 TYR HA 1 27 HIS HB2 3.000 . 3.500 3.450 3.149 3.576 0.076 20 0 "[ . 1 . 2 ]" 1
378 1 89 VAL MG1 1 103 CYS HB3 4.000 . 6.500 3.964 3.047 4.525 . 0 0 "[ . 1 . 2 ]" 1
379 1 89 VAL HB 1 103 CYS HB3 4.000 . 5.000 4.561 3.894 5.020 0.020 3 0 "[ . 1 . 2 ]" 1
380 1 42 TYR HB2 1 56 TYR HB3 4.000 . 5.000 3.877 2.715 5.068 0.068 9 0 "[ . 1 . 2 ]" 1
381 1 56 TYR HB3 1 79 VAL MG1 4.000 . 6.500 1.954 1.751 2.406 . 0 0 "[ . 1 . 2 ]" 1
382 1 11 TYR HB3 1 89 VAL MG2 4.000 . 6.500 4.608 3.620 5.197 . 0 0 "[ . 1 . 2 ]" 1
383 1 11 TYR HB3 1 16 VAL MG2 4.000 . 6.500 2.463 2.088 2.888 . 0 0 "[ . 1 . 2 ]" 1
384 1 90 ILE MD 1 100 PHE HB3 4.000 . 6.500 2.543 1.859 4.830 . 0 0 "[ . 1 . 2 ]" 1
385 1 75 ALA MB 1 76 ASP HB3 4.000 . 6.500 4.733 4.625 4.912 . 0 0 "[ . 1 . 2 ]" 1
386 1 56 TYR HB2 1 79 VAL MG1 3.000 . 5.000 3.222 2.765 3.763 . 0 0 "[ . 1 . 2 ]" 1
387 1 56 TYR HB2 1 79 VAL MG2 4.000 . 6.500 4.645 2.719 5.279 . 0 0 "[ . 1 . 2 ]" 1
388 1 90 ILE MD 1 100 PHE HB2 4.000 . 6.500 2.799 1.703 5.046 . 0 0 "[ . 1 . 2 ]" 1
389 1 83 ASN QB 1 85 GLN HB3 4.000 . 6.000 4.463 4.010 5.245 . 0 0 "[ . 1 . 2 ]" 1
390 1 60 PRO HB3 1 62 LEU MD2 4.000 . 6.500 3.773 3.471 4.051 . 0 0 "[ . 1 . 2 ]" 1
391 1 23 GLY QA 1 26 LEU QB 4.000 . 7.000 2.930 2.600 3.439 . 0 0 "[ . 1 . 2 ]" 1
392 1 78 VAL HB 1 89 VAL MG2 4.000 . 6.500 2.654 1.859 4.224 . 0 0 "[ . 1 . 2 ]" 1
393 1 77 ARG HB3 1 90 ILE MD 4.000 . 6.500 3.472 2.452 4.994 . 0 0 "[ . 1 . 2 ]" 1
394 1 61 ILE MD 1 62 LEU MD2 2.500 . 5.700 3.752 3.698 3.824 . 0 0 "[ . 1 . 2 ]" 1
395 1 79 VAL MG1 1 90 ILE MD 4.000 . 8.000 3.568 2.370 4.040 . 0 0 "[ . 1 . 2 ]" 1
396 1 4 TYR QD 1 13 SER H 4.000 . 7.000 3.891 3.075 4.865 . 0 0 "[ . 1 . 2 ]" 1
397 1 4 TYR QE 1 13 SER H 4.000 . 7.000 5.084 4.174 5.688 . 0 0 "[ . 1 . 2 ]" 1
398 1 2 CYS HB2 1 13 SER H 4.000 . 5.000 5.061 4.797 5.109 0.109 17 0 "[ . 1 . 2 ]" 1
399 1 3 ASP HB2 1 13 SER H 4.000 . 5.000 4.072 2.815 4.953 . 0 0 "[ . 1 . 2 ]" 1
400 1 33 VAL H 1 59 TRP HZ3 4.000 . 5.000 4.840 4.344 5.097 0.097 19 0 "[ . 1 . 2 ]" 1
401 1 33 VAL H 1 37 SER HA 4.000 . 5.000 2.681 1.865 4.137 . 0 0 "[ . 1 . 2 ]" 1
402 1 26 LEU MD1 1 33 VAL H 4.000 . 6.500 4.290 3.659 5.404 . 0 0 "[ . 1 . 2 ]" 1
403 1 77 ARG H 1 90 ILE QG 4.000 . 6.500 3.502 3.110 3.844 . 0 0 "[ . 1 . 2 ]" 1
404 1 77 ARG H 1 89 VAL MG1 4.000 . 6.500 3.061 2.196 3.992 . 0 0 "[ . 1 . 2 ]" 1
405 1 11 TYR QD 1 12 SER H 4.000 . 7.000 3.915 2.949 4.645 . 0 0 "[ . 1 . 2 ]" 1
406 1 91 THR H 1 100 PHE HB2 4.000 . 5.000 4.701 3.175 5.088 0.088 10 0 "[ . 1 . 2 ]" 1
407 1 12 SER H 1 16 VAL MG2 4.000 . 6.500 3.693 3.385 4.214 . 0 0 "[ . 1 . 2 ]" 1
408 1 11 TYR QE 1 12 SER H 4.000 . 7.000 5.730 4.966 6.309 . 0 0 "[ . 1 . 2 ]" 1
409 1 11 TYR HB3 1 12 SER H 4.000 . 5.000 3.382 2.967 3.783 . 0 0 "[ . 1 . 2 ]" 1
410 1 100 PHE HB2 1 101 VAL H 4.000 . 5.000 3.716 3.134 4.373 . 0 0 "[ . 1 . 2 ]" 1
411 1 95 ALA MB 1 101 VAL H 4.000 . 6.500 5.101 4.510 5.397 . 0 0 "[ . 1 . 2 ]" 1
412 1 90 ILE HB 1 101 VAL H 4.000 . 5.000 2.618 1.915 3.861 . 0 0 "[ . 1 . 2 ]" 1
413 1 101 VAL H 1 102 GLU H 4.000 . 5.000 4.275 3.972 4.571 . 0 0 "[ . 1 . 2 ]" 1
414 1 51 SER H 1 52 VAL MG1 4.000 . 6.500 5.149 3.657 5.498 . 0 0 "[ . 1 . 2 ]" 1
415 1 51 SER H 1 52 VAL MG2 4.000 . 6.500 3.017 2.327 3.578 . 0 0 "[ . 1 . 2 ]" 1
416 1 51 SER H 1 87 ALA MB 4.000 . 6.500 4.890 3.756 5.405 . 0 0 "[ . 1 . 2 ]" 1
417 1 76 ASP HA 1 92 HIS H 4.000 . 5.000 3.871 2.756 4.605 . 0 0 "[ . 1 . 2 ]" 1
418 1 62 LEU MD1 1 68 TYR H 4.000 . 6.500 3.022 2.227 4.025 . 0 0 "[ . 1 . 2 ]" 1
419 1 59 TRP HZ2 1 68 TYR H 4.000 . 5.000 2.145 1.857 3.690 . 0 0 "[ . 1 . 2 ]" 1
420 1 41 LYS H 1 42 TYR H 4.000 . 5.000 4.615 4.482 4.708 . 0 0 "[ . 1 . 2 ]" 1
421 1 41 LYS H 1 57 TYR QD 4.000 . 7.000 3.286 2.649 4.219 . 0 0 "[ . 1 . 2 ]" 1
422 1 62 LEU HG 1 68 TYR H 4.000 . 5.000 3.780 1.893 4.991 . 0 0 "[ . 1 . 2 ]" 1
423 1 5 THR HA 1 11 TYR H 4.000 . 5.000 3.100 2.141 3.709 . 0 0 "[ . 1 . 2 ]" 1
424 1 11 TYR H 1 16 VAL MG2 4.000 . 6.500 5.186 4.644 5.454 . 0 0 "[ . 1 . 2 ]" 1
425 1 59 TRP HE1 1 61 ILE HA 3.000 . 3.500 3.448 3.259 3.576 0.076 6 0 "[ . 1 . 2 ]" 1
426 1 22 ALA MB 1 59 TRP HE1 4.000 . 6.500 2.658 2.243 3.083 . 0 0 "[ . 1 . 2 ]" 1
427 1 19 ALA MB 1 59 TRP HE1 4.000 . 6.500 2.910 2.508 3.252 . 0 0 "[ . 1 . 2 ]" 1
428 1 23 GLY H 1 59 TRP HE1 4.000 . 5.000 3.234 2.866 3.755 . 0 0 "[ . 1 . 2 ]" 1
429 1 59 TRP HE1 1 67 VAL MG2 4.000 . 6.500 5.077 4.406 5.354 . 0 0 "[ . 1 . 2 ]" 1
430 1 5 THR H 1 5 THR MG 4.000 . 6.500 3.277 1.908 4.045 . 0 0 "[ . 1 . 2 ]" 1
431 1 81 ASN H 1 87 ALA H 4.000 . 5.000 4.906 4.537 5.101 0.101 16 0 "[ . 1 . 2 ]" 1
432 1 79 VAL MG1 1 87 ALA H 4.000 . 6.500 3.769 2.574 4.962 . 0 0 "[ . 1 . 2 ]" 1
433 1 86 LEU MD1 1 87 ALA H 3.000 . 5.000 2.392 2.022 4.197 . 0 0 "[ . 1 . 2 ]" 1
434 1 79 VAL HB 1 87 ALA H 4.000 . 5.000 3.883 2.684 5.005 0.005 6 0 "[ . 1 . 2 ]" 1
435 1 20 GLN H 1 78 VAL MG1 4.000 . 6.500 4.300 3.983 4.820 . 0 0 "[ . 1 . 2 ]" 1
436 1 86 LEU HG 1 87 ALA H 4.000 . 5.000 4.871 2.832 5.063 0.063 16 0 "[ . 1 . 2 ]" 1
437 1 16 VAL MG1 1 20 GLN H 4.000 . 6.500 4.108 3.976 4.278 . 0 0 "[ . 1 . 2 ]" 1
438 1 20 GLN H 1 21 ALA MB 4.000 . 6.500 4.073 3.807 4.279 . 0 0 "[ . 1 . 2 ]" 1
439 1 78 VAL H 1 78 VAL MG1 3.000 . 5.500 2.189 1.862 3.394 . 0 0 "[ . 1 . 2 ]" 1
440 1 61 ILE MD 1 78 VAL H 4.000 . 6.500 5.142 4.514 5.395 . 0 0 "[ . 1 . 2 ]" 1
441 1 61 ILE QG 1 63 SER H 4.000 . 6.000 5.018 4.006 5.137 . 0 0 "[ . 1 . 2 ]" 1
442 1 63 SER H 1 64 SER HB2 3.000 . 3.500 3.526 3.324 3.668 0.168 7 0 "[ . 1 . 2 ]" 1
443 1 95 ALA MB 1 100 PHE H 4.000 . 6.500 4.428 3.602 5.097 . 0 0 "[ . 1 . 2 ]" 1
444 1 99 ASN HB3 1 100 PHE H 3.000 . 3.500 3.053 2.189 3.569 0.069 2 0 "[ . 1 . 2 ]" 1
445 1 45 TYR HB3 1 46 GLU H 4.000 . 5.000 3.764 2.249 4.708 . 0 0 "[ . 1 . 2 ]" 1
446 1 58 GLU H 1 79 VAL MG2 4.000 . 6.500 4.495 3.860 5.419 . 0 0 "[ . 1 . 2 ]" 1
447 1 58 GLU H 1 58 GLU HG3 4.000 . 6.000 2.771 2.059 3.617 . 0 0 "[ . 1 . 2 ]" 1
448 1 57 TYR H 1 79 VAL MG1 4.000 . 6.500 1.941 1.685 3.569 . 0 0 "[ . 1 . 2 ]" 1
449 1 42 TYR HB2 1 58 GLU H 4.000 . 5.000 3.006 2.080 4.130 . 0 0 "[ . 1 . 2 ]" 1
450 1 56 TYR QB 1 58 GLU H 4.000 . 6.000 4.773 4.308 5.377 . 0 0 "[ . 1 . 2 ]" 1
451 1 56 TYR HB2 1 57 TYR H 4.000 . 5.000 3.382 2.871 3.658 . 0 0 "[ . 1 . 2 ]" 1
452 1 56 TYR QD 1 57 TYR H 3.000 . 6.000 3.293 2.751 3.972 . 0 0 "[ . 1 . 2 ]" 1
453 1 32 THR MG 1 38 TYR H 4.000 . 6.500 3.148 2.757 3.377 . 0 0 "[ . 1 . 2 ]" 1
454 1 32 THR HA 1 38 TYR H 4.000 . 5.000 4.428 3.592 4.941 . 0 0 "[ . 1 . 2 ]" 1
455 1 6 CYS QB 1 76 ASP H 4.000 . 6.000 4.884 3.881 5.503 . 0 0 "[ . 1 . 2 ]" 1
456 1 76 ASP H 1 77 ARG QB 4.000 . 6.000 5.073 4.398 5.520 . 0 0 "[ . 1 . 2 ]" 1
457 1 48 PHE QD 1 49 ASP H 4.000 . 7.000 4.049 3.360 4.671 . 0 0 "[ . 1 . 2 ]" 1
458 1 42 TYR H 1 42 TYR QD 4.000 . 7.000 4.133 3.448 4.370 . 0 0 "[ . 1 . 2 ]" 1
459 1 48 PHE QE 1 49 ASP H 4.000 . 7.000 6.151 5.604 6.542 . 0 0 "[ . 1 . 2 ]" 1
460 1 48 PHE H 1 49 ASP H 4.000 . 5.000 4.421 3.282 4.604 . 0 0 "[ . 1 . 2 ]" 1
461 1 42 TYR H 1 58 GLU QB 4.000 . 6.000 5.028 4.429 5.396 . 0 0 "[ . 1 . 2 ]" 1
462 1 77 ARG QB 1 90 ILE H 4.000 . 6.000 4.124 3.428 4.992 . 0 0 "[ . 1 . 2 ]" 1
463 1 48 PHE QE 1 102 GLU H 4.000 . 7.000 2.482 1.846 3.320 . 0 0 "[ . 1 . 2 ]" 1
464 1 101 VAL MG2 1 102 GLU H 4.000 . 6.500 4.120 3.433 4.372 . 0 0 "[ . 1 . 2 ]" 1
465 1 48 PHE HZ 1 102 GLU H 4.000 . 5.000 3.353 1.895 4.290 . 0 0 "[ . 1 . 2 ]" 1
466 1 103 CYS H 1 104 THR MG 4.000 . 6.500 4.810 3.440 5.206 . 0 0 "[ . 1 . 2 ]" 1
467 1 90 ILE MG 1 102 GLU H 4.000 . 6.500 3.463 2.552 4.510 . 0 0 "[ . 1 . 2 ]" 1
468 1 90 ILE HA 1 103 CYS H 4.000 . 5.000 3.305 2.548 4.220 . 0 0 "[ . 1 . 2 ]" 1
469 1 89 VAL MG1 1 103 CYS H 4.000 . 6.500 3.737 3.004 4.214 . 0 0 "[ . 1 . 2 ]" 1
470 1 33 VAL MG2 1 34 GLY H 4.000 . 6.500 2.612 1.829 3.645 . 0 0 "[ . 1 . 2 ]" 1
471 1 66 ASP HB2 1 67 VAL H 4.000 . 5.000 4.059 3.226 4.659 . 0 0 "[ . 1 . 2 ]" 1
472 1 67 VAL H 1 67 VAL MG1 4.000 . 6.500 3.851 3.730 4.064 . 0 0 "[ . 1 . 2 ]" 1
473 1 17 SER H 1 61 ILE MD 4.000 . 6.500 5.071 4.682 5.296 . 0 0 "[ . 1 . 2 ]" 1
474 1 22 ALA MB 1 24 TYR H 4.000 . 6.500 4.108 3.910 4.404 . 0 0 "[ . 1 . 2 ]" 1
475 1 24 TYR H 1 26 LEU QB 4.000 . 6.000 4.803 4.339 5.291 . 0 0 "[ . 1 . 2 ]" 1
476 1 81 ASN H 1 84 ASN H 4.000 . 5.000 3.680 2.943 4.790 . 0 0 "[ . 1 . 2 ]" 1
477 1 52 VAL MG2 1 81 ASN H 4.000 . 6.500 4.662 4.219 5.191 . 0 0 "[ . 1 . 2 ]" 1
478 1 81 ASN H 1 87 ALA MB 4.000 . 6.500 4.622 3.998 5.194 . 0 0 "[ . 1 . 2 ]" 1
479 1 81 ASN H 1 86 LEU HA 4.000 . 5.000 5.003 4.522 5.102 0.102 22 0 "[ . 1 . 2 ]" 1
480 1 42 TYR HB2 1 43 ASN H 4.000 . 5.000 4.139 3.566 4.633 . 0 0 "[ . 1 . 2 ]" 1
481 1 43 ASN H 1 45 TYR QD 4.000 . 7.000 5.430 4.353 6.538 . 0 0 "[ . 1 . 2 ]" 1
482 1 24 TYR QD 1 81 ASN H 4.000 . 7.000 5.945 5.006 6.340 . 0 0 "[ . 1 . 2 ]" 1
483 1 41 LYS QD 1 43 ASN H 3.000 . 5.000 4.076 3.454 4.475 . 0 0 "[ . 1 . 2 ]" 1
484 1 85 GLN QB 1 86 LEU H 4.000 . 6.000 2.443 1.723 3.015 . 0 0 "[ . 1 . 2 ]" 1
485 1 28 GLU H 1 28 GLU QB . . 3.700 2.300 2.092 2.845 . 0 0 "[ . 1 . 2 ]" 1
486 1 103 CYS QB 1 104 THR H 3.000 . 4.500 3.331 2.382 3.925 . 0 0 "[ . 1 . 2 ]" 1
487 1 28 GLU H 1 29 ASP HA 4.000 . 5.000 5.028 4.886 5.116 0.116 14 0 "[ . 1 . 2 ]" 1
488 1 3 ASP H 1 3 ASP HA 3.000 . 3.500 2.967 2.869 3.004 . 0 0 "[ . 1 . 2 ]" 1
489 1 18 THR H 1 19 ALA MB 4.000 . 6.500 4.393 4.234 4.496 . 0 0 "[ . 1 . 2 ]" 1
490 1 16 VAL MG1 1 18 THR H 4.000 . 6.500 5.225 5.022 5.395 . 0 0 "[ . 1 . 2 ]" 1
491 1 16 VAL HA 1 18 THR H 4.000 . 5.000 4.339 4.079 4.478 . 0 0 "[ . 1 . 2 ]" 1
492 1 2 CYS QB 1 4 TYR H 4.000 . 6.000 3.394 2.908 4.358 . 0 0 "[ . 1 . 2 ]" 1
493 1 4 TYR H 1 16 VAL MG2 4.000 . 6.500 4.370 3.819 4.771 . 0 0 "[ . 1 . 2 ]" 1
494 1 5 THR MG 1 10 CYS H 4.000 . 6.500 3.773 1.936 5.460 . 0 0 "[ . 1 . 2 ]" 1
495 1 46 GLU HB2 1 48 PHE H 4.000 . 5.000 4.966 4.149 5.150 0.150 3 0 "[ . 1 . 2 ]" 1
496 1 14 SER H 1 14 SER QB 3.000 . 5.000 2.268 2.069 2.987 . 0 0 "[ . 1 . 2 ]" 1
497 1 61 ILE HA 1 62 LEU H 3.000 . 3.500 2.237 2.208 2.285 . 0 0 "[ . 1 . 2 ]" 1
498 1 19 ALA MB 1 62 LEU H 4.000 . 6.500 2.483 1.933 2.848 . 0 0 "[ . 1 . 2 ]" 1
499 1 99 ASN H 1 99 ASN QB 3.500 . 5.000 2.748 2.098 3.199 . 0 0 "[ . 1 . 2 ]" 1
500 1 81 ASN H 1 81 ASN QB 3.000 . 4.500 2.634 2.341 3.235 . 0 0 "[ . 1 . 2 ]" 1
501 1 18 THR H 1 18 THR HB 3.000 . 3.500 3.289 2.345 3.539 0.039 22 0 "[ . 1 . 2 ]" 1
502 1 48 PHE H 1 48 PHE QD 3.000 . 5.500 2.877 1.942 3.455 . 0 0 "[ . 1 . 2 ]" 1
503 1 62 LEU H 1 62 LEU MD1 4.000 . 6.500 3.901 3.834 3.957 . 0 0 "[ . 1 . 2 ]" 1
504 1 62 LEU H 1 62 LEU HG 3.000 . 3.500 2.294 2.200 2.382 . 0 0 "[ . 1 . 2 ]" 1
505 1 79 VAL H 1 79 VAL HB 3.000 . 3.500 2.603 2.306 3.255 . 0 0 "[ . 1 . 2 ]" 1
506 1 79 VAL H 1 79 VAL MG1 4.000 . 6.500 3.747 2.812 3.942 . 0 0 "[ . 1 . 2 ]" 1
507 1 27 HIS HE1 1 57 TYR QD 4.000 . 7.000 4.434 2.850 5.689 . 0 0 "[ . 1 . 2 ]" 1
508 1 82 GLU HA 1 84 ASN H 4.000 . 5.000 3.790 3.344 4.111 . 0 0 "[ . 1 . 2 ]" 1
509 1 67 VAL MG1 1 69 SER H 4.000 . 6.500 4.872 4.153 5.242 . 0 0 "[ . 1 . 2 ]" 1
510 1 62 LEU MD1 1 69 SER H 4.000 . 6.500 3.854 2.913 4.856 . 0 0 "[ . 1 . 2 ]" 1
511 1 39 PRO QB 1 40 HIS HE1 4.000 . 6.000 5.670 5.599 5.757 . 0 0 "[ . 1 . 2 ]" 1
512 1 38 TYR QE 1 40 HIS HE1 4.000 . 7.000 5.496 4.018 6.383 . 0 0 "[ . 1 . 2 ]" 1
513 1 26 LEU MD1 1 32 THR H 4.000 . 6.500 2.704 1.865 4.155 . 0 0 "[ . 1 . 2 ]" 1
514 1 56 TYR H 1 79 VAL MG1 4.000 . 6.500 4.793 4.567 5.254 . 0 0 "[ . 1 . 2 ]" 1
515 1 31 GLU HA 1 32 THR H 4.000 . 5.000 2.872 2.438 3.174 . 0 0 "[ . 1 . 2 ]" 1
516 1 4 TYR QD 1 89 VAL H 4.000 . 7.000 4.037 2.935 5.342 . 0 0 "[ . 1 . 2 ]" 1
517 1 88 GLY HA2 1 89 VAL H 3.000 . 3.500 2.522 2.246 2.998 . 0 0 "[ . 1 . 2 ]" 1
518 1 21 ALA H 1 22 ALA MB 4.000 . 6.500 4.012 3.813 4.131 . 0 0 "[ . 1 . 2 ]" 1
519 1 89 VAL H 1 102 GLU QB 4.000 . 6.000 4.787 3.289 5.345 . 0 0 "[ . 1 . 2 ]" 1
520 1 78 VAL MG2 1 89 VAL H 4.000 . 6.500 3.983 3.164 5.084 . 0 0 "[ . 1 . 2 ]" 1
521 1 54 SER H 1 56 TYR QE 4.000 . 7.000 5.291 2.904 5.997 . 0 0 "[ . 1 . 2 ]" 1
522 1 26 LEU MD1 1 31 GLU H 4.000 . 6.500 3.104 2.186 4.044 . 0 0 "[ . 1 . 2 ]" 1
523 1 30 GLY HA2 1 31 GLU H 4.000 . 5.000 3.226 2.892 3.563 . 0 0 "[ . 1 . 2 ]" 1
524 1 29 ASP QB 1 31 GLU H 4.000 . 6.000 2.585 2.294 3.144 . 0 0 "[ . 1 . 2 ]" 1
525 1 41 LYS QG 1 56 TYR H 4.000 . 6.000 4.757 3.004 5.484 . 0 0 "[ . 1 . 2 ]" 1
526 1 84 ASN HA 1 85 GLN H 3.000 . 3.500 3.056 2.900 3.230 . 0 0 "[ . 1 . 2 ]" 1
527 1 83 ASN HB2 1 85 GLN H 4.000 . 5.000 3.822 2.969 4.864 . 0 0 "[ . 1 . 2 ]" 1
528 1 95 ALA H 1 101 VAL MG1 4.000 . 6.500 4.914 4.111 5.433 . 0 0 "[ . 1 . 2 ]" 1
529 1 32 THR MG 1 37 SER H 4.000 . 6.500 2.876 1.999 5.123 . 0 0 "[ . 1 . 2 ]" 1
530 1 57 TYR QD 1 82 GLU H 4.000 . 7.000 4.727 3.979 5.203 . 0 0 "[ . 1 . 2 ]" 1
531 1 81 ASN HB2 1 82 GLU H 4.000 . 5.000 3.345 2.285 4.166 . 0 0 "[ . 1 . 2 ]" 1
532 1 82 GLU H 1 83 ASN HB2 4.000 . 5.000 3.774 3.340 4.309 . 0 0 "[ . 1 . 2 ]" 1
533 1 62 LEU QB 1 64 SER H 4.000 . 5.000 2.745 2.409 3.802 . 0 0 "[ . 1 . 2 ]" 1
534 1 33 VAL MG1 1 59 TRP HZ2 4.000 . 6.500 4.222 3.681 4.899 . 0 0 "[ . 1 . 2 ]" 1
535 1 27 HIS HD1 1 30 GLY H 4.000 . 5.000 4.960 4.584 5.423 0.423 20 0 "[ . 1 . 2 ]" 1
536 1 19 ALA H 1 22 ALA MB 4.000 . 6.500 4.877 4.527 5.175 . 0 0 "[ . 1 . 2 ]" 1
537 1 16 VAL HA 1 19 ALA H 4.000 . 5.000 3.399 3.143 3.595 . 0 0 "[ . 1 . 2 ]" 1
538 1 26 LEU MD1 1 29 ASP H 4.000 . 6.500 4.391 3.625 5.119 . 0 0 "[ . 1 . 2 ]" 1
539 1 28 GLU QG 1 29 ASP H 4.000 . 6.000 4.239 2.198 4.894 . 0 0 "[ . 1 . 2 ]" 1
540 1 19 ALA H 1 61 ILE MD 4.000 . 6.500 3.455 3.080 3.693 . 0 0 "[ . 1 . 2 ]" 1
541 1 25 GLN QG 1 29 ASP H 4.000 . 6.000 5.022 4.384 5.405 . 0 0 "[ . 1 . 2 ]" 1
542 1 18 THR MG 1 19 ALA H 4.000 . 6.500 3.957 2.929 4.225 . 0 0 "[ . 1 . 2 ]" 1
543 1 62 LEU QD 1 66 ASP H 4.000 . 6.500 3.505 1.831 4.303 . 0 0 "[ . 1 . 2 ]" 1
544 1 22 ALA H 1 25 GLN H 4.000 . 5.000 4.528 4.302 4.735 . 0 0 "[ . 1 . 2 ]" 1
545 1 23 GLY H 1 25 GLN H 4.000 . 5.000 4.491 3.962 4.965 . 0 0 "[ . 1 . 2 ]" 1
546 1 92 HIS HE1 1 100 PHE QE 3.000 . 5.500 2.905 2.020 4.046 . 0 0 "[ . 1 . 2 ]" 1
547 1 92 HIS H 1 98 ASN HB3 4.000 . 5.000 5.015 4.682 5.189 0.189 3 0 "[ . 1 . 2 ]" 1
548 1 92 HIS H 1 98 ASN HB2 4.000 . 5.000 5.055 4.946 5.133 0.133 19 0 "[ . 1 . 2 ]" 1
549 1 39 PRO QG 1 59 TRP HE3 4.000 . 6.000 3.279 2.761 3.786 . 0 0 "[ . 1 . 2 ]" 1
550 1 92 HIS HE1 1 99 ASN HA 4.000 . 5.000 3.744 2.216 5.050 0.050 17 0 "[ . 1 . 2 ]" 1
551 1 38 TYR HA 1 59 TRP HE3 4.000 . 5.000 5.070 4.930 5.145 0.145 10 0 "[ . 1 . 2 ]" 1
552 1 32 THR H 1 32 THR HB 4.000 . 5.000 3.494 3.068 3.919 . 0 0 "[ . 1 . 2 ]" 1
553 1 40 HIS H 1 40 HIS QB 3.000 . 4.500 3.237 3.196 3.288 . 0 0 "[ . 1 . 2 ]" 1
554 1 89 VAL H 1 89 VAL MG1 3.000 . 5.000 3.812 3.732 3.966 . 0 0 "[ . 1 . 2 ]" 1
555 1 21 ALA H 1 21 ALA MB 3.000 . 5.000 2.272 2.245 2.372 . 0 0 "[ . 1 . 2 ]" 1
556 1 82 GLU H 1 82 GLU QB 3.000 . 4.500 3.160 2.626 3.525 . 0 0 "[ . 1 . 2 ]" 1
557 1 82 GLU H 1 82 GLU QG 3.000 . 4.500 2.877 2.122 3.956 . 0 0 "[ . 1 . 2 ]" 1
558 1 38 TYR HB3 1 59 TRP HE3 4.000 . 5.000 2.619 2.349 2.968 . 0 0 "[ . 1 . 2 ]" 1
559 1 33 VAL MG1 1 59 TRP HE3 4.000 . 6.500 4.062 3.579 5.287 . 0 0 "[ . 1 . 2 ]" 1
560 1 39 PRO QB 1 59 TRP HE3 4.000 . 6.000 2.539 2.070 3.327 . 0 0 "[ . 1 . 2 ]" 1
561 1 38 TYR HB2 1 59 TRP HE3 4.000 . 5.000 3.992 3.570 4.421 . 0 0 "[ . 1 . 2 ]" 1
562 1 59 TRP HE3 1 60 PRO QD 4.000 . 6.000 2.614 2.413 2.822 . 0 0 "[ . 1 . 2 ]" 1
563 1 33 VAL MG2 1 59 TRP HE3 4.000 . 6.500 4.702 3.394 5.284 . 0 0 "[ . 1 . 2 ]" 1
564 1 38 TYR QD 1 59 TRP HE3 4.000 . 7.000 4.245 3.329 4.786 . 0 0 "[ . 1 . 2 ]" 1
565 1 38 TYR QE 1 40 HIS HD2 4.000 . 7.000 5.781 4.877 6.485 . 0 0 "[ . 1 . 2 ]" 1
566 1 23 GLY H 1 59 TRP HE3 4.000 . 5.000 4.989 4.895 5.064 0.064 18 0 "[ . 1 . 2 ]" 1
567 1 24 TYR HB2 1 80 PHE QD 4.000 . 6.000 2.994 2.479 3.596 . 0 0 "[ . 1 . 2 ]" 1
568 1 79 VAL HB 1 80 PHE QD 4.000 . 7.000 4.795 4.346 5.757 . 0 0 "[ . 1 . 2 ]" 1
569 1 83 ASN H 1 85 GLN QG 4.000 . 6.000 3.277 2.609 5.298 . 0 0 "[ . 1 . 2 ]" 1
570 1 20 GLN HG2 1 80 PHE QD 4.000 . 7.000 4.374 3.634 4.745 . 0 0 "[ . 1 . 2 ]" 1
571 1 79 VAL MG2 1 80 PHE QD 4.000 . 8.500 4.320 3.631 5.095 . 0 0 "[ . 1 . 2 ]" 1
572 1 24 TYR HA 1 80 PHE QD 4.000 . 7.000 4.076 3.846 4.369 . 0 0 "[ . 1 . 2 ]" 1
573 1 80 PHE QD 1 86 LEU MD1 4.000 . 8.500 5.131 4.378 5.543 . 0 0 "[ . 1 . 2 ]" 1
574 1 83 ASN H 1 84 ASN HA 4.000 . 5.000 4.289 3.951 4.821 . 0 0 "[ . 1 . 2 ]" 1
575 1 23 GLY H 1 59 TRP QB 4.000 . 6.000 3.999 3.628 4.222 . 0 0 "[ . 1 . 2 ]" 1
576 1 21 ALA MB 1 23 GLY H 4.000 . 6.500 5.064 4.782 5.331 . 0 0 "[ . 1 . 2 ]" 1
577 1 48 PHE QE 1 50 PHE QD 4.000 . 9.000 5.925 5.035 6.766 . 0 0 "[ . 1 . 2 ]" 1
578 1 44 ASN QB 1 48 PHE QE 4.000 . 8.000 4.391 3.325 5.685 . 0 0 "[ . 1 . 2 ]" 1
579 1 59 TRP HH2 1 60 PRO QD 4.000 . 6.000 4.627 4.489 4.809 . 0 0 "[ . 1 . 2 ]" 1
580 1 48 PHE QE 1 102 GLU QB 4.000 . 8.000 3.703 1.897 4.674 . 0 0 "[ . 1 . 2 ]" 1
581 1 48 PHE QE 1 90 ILE MG 3.000 . 7.000 2.662 1.785 3.696 . 0 0 "[ . 1 . 2 ]" 1
582 1 48 PHE QE 1 100 PHE HB2 4.000 . 7.000 3.292 2.023 5.393 . 0 0 "[ . 1 . 2 ]" 1
583 1 48 PHE QE 1 90 ILE MD 4.000 . 8.500 4.065 2.990 5.028 . 0 0 "[ . 1 . 2 ]" 1
584 1 48 PHE QE 1 101 VAL HA 4.000 . 7.000 2.580 1.896 3.261 . 0 0 "[ . 1 . 2 ]" 1
585 1 46 GLU QG 1 48 PHE QE 4.000 . 8.000 3.427 1.881 4.305 . 0 0 "[ . 1 . 2 ]" 1
586 1 59 TRP HH2 1 68 TYR QB 4.000 . 6.000 3.029 2.551 3.743 . 0 0 "[ . 1 . 2 ]" 1
587 1 22 ALA MB 1 59 TRP HH2 4.000 . 6.500 3.893 3.347 4.273 . 0 0 "[ . 1 . 2 ]" 1
588 1 33 VAL MG1 1 59 TRP HH2 3.000 . 5.000 2.210 1.811 3.328 . 0 0 "[ . 1 . 2 ]" 1
589 1 48 PHE QE 1 101 VAL MG2 3.000 . 7.000 4.676 4.403 4.959 . 0 0 "[ . 1 . 2 ]" 1
590 1 33 VAL MG2 1 59 TRP HH2 4.000 . 6.500 4.134 2.709 5.328 . 0 0 "[ . 1 . 2 ]" 1
591 1 59 TRP HH2 1 68 TYR HA 4.000 . 5.000 5.031 4.911 5.127 0.127 16 0 "[ . 1 . 2 ]" 1
592 1 44 ASN HB3 1 48 PHE QE 4.000 . 7.000 4.880 3.401 6.119 . 0 0 "[ . 1 . 2 ]" 1
593 1 61 ILE H 1 76 ASP HB2 4.000 . 5.000 4.109 3.509 4.690 . 0 0 "[ . 1 . 2 ]" 1
594 1 90 ILE MD 1 100 PHE HZ 4.000 . 6.500 5.248 4.459 5.423 . 0 0 "[ . 1 . 2 ]" 1
595 1 61 ILE H 1 77 ARG HA 4.000 . 5.000 2.736 1.987 3.413 . 0 0 "[ . 1 . 2 ]" 1
596 1 61 ILE H 1 62 LEU HG 4.000 . 5.000 4.917 4.321 5.048 0.048 20 0 "[ . 1 . 2 ]" 1
597 1 58 GLU QB 1 100 PHE HZ 4.000 . 6.000 4.952 3.207 5.411 . 0 0 "[ . 1 . 2 ]" 1
598 1 38 TYR HB2 1 59 TRP HZ3 4.000 . 5.000 3.360 2.999 3.684 . 0 0 "[ . 1 . 2 ]" 1
599 1 59 TRP HZ3 1 68 TYR QB 4.000 . 6.000 3.837 3.438 4.483 . 0 0 "[ . 1 . 2 ]" 1
600 1 33 VAL MG1 1 59 TRP HZ3 3.000 . 5.000 2.140 1.742 3.675 . 0 0 "[ . 1 . 2 ]" 1
601 1 26 LEU HG 1 59 TRP HZ3 4.000 . 5.000 4.362 3.447 5.046 0.046 18 0 "[ . 1 . 2 ]" 1
602 1 61 ILE H 1 78 VAL MG1 4.000 . 6.500 4.247 3.688 5.367 . 0 0 "[ . 1 . 2 ]" 1
603 1 60 PRO QD 1 61 ILE H 4.000 . 6.000 5.009 4.974 5.038 . 0 0 "[ . 1 . 2 ]" 1
604 1 38 TYR QB 1 59 TRP HZ3 4.000 . 6.000 2.831 2.278 3.303 . 0 0 "[ . 1 . 2 ]" 1
605 1 26 LEU MD1 1 59 TRP HZ3 3.000 . 6.500 4.838 4.307 5.356 . 0 0 "[ . 1 . 2 ]" 1
606 1 39 PRO QD 1 59 TRP HZ3 4.000 . 6.000 2.423 2.045 3.152 . 0 0 "[ . 1 . 2 ]" 1
607 1 90 ILE HB 1 100 PHE QD 3.000 . 5.500 3.573 2.239 4.151 . 0 0 "[ . 1 . 2 ]" 1
608 1 92 HIS HA 1 100 PHE QD 4.000 . 7.000 4.366 3.212 5.747 . 0 0 "[ . 1 . 2 ]" 1
609 1 90 ILE QG 1 100 PHE QD 4.000 . 8.500 2.849 1.906 4.061 . 0 0 "[ . 1 . 2 ]" 1
610 1 22 ALA H 1 24 TYR QD 3.000 . 7.500 5.803 5.355 6.344 . 0 0 "[ . 1 . 2 ]" 1
611 1 91 THR HA 1 100 PHE QD 4.000 . 7.000 5.206 3.072 6.131 . 0 0 "[ . 1 . 2 ]" 1
612 1 99 ASN QB 1 100 PHE QD 4.000 . 8.000 4.593 2.705 5.672 . 0 0 "[ . 1 . 2 ]" 1
613 1 22 ALA H 1 67 VAL MG1 4.000 . 6.500 5.018 4.360 5.297 . 0 0 "[ . 1 . 2 ]" 1
614 1 48 PHE QD 1 90 ILE MG 3.000 . 7.000 3.511 2.837 4.399 . 0 0 "[ . 1 . 2 ]" 1
615 1 100 PHE QD 1 101 VAL MG1 4.000 . 8.500 5.118 3.863 5.699 . 0 0 "[ . 1 . 2 ]" 1
616 1 83 ASN H 1 83 ASN QB 3.000 . 4.500 2.501 2.149 2.752 . 0 0 "[ . 1 . 2 ]" 1
617 1 23 GLY H 1 23 GLY QA 2.500 . 3.300 2.245 2.231 2.267 . 0 0 "[ . 1 . 2 ]" 1
618 1 61 ILE H 1 61 ILE MG 2.500 . 4.200 1.918 1.801 2.060 . 0 0 "[ . 1 . 2 ]" 1
619 1 61 ILE H 1 61 ILE MD 4.000 . 6.500 4.208 4.123 4.280 . 0 0 "[ . 1 . 2 ]" 1
620 1 44 ASN HB3 1 45 TYR QD 4.000 . 7.000 5.453 3.870 6.609 . 0 0 "[ . 1 . 2 ]" 1
621 1 52 VAL MG2 1 88 GLY H 4.000 . 6.500 4.597 4.389 4.791 . 0 0 "[ . 1 . 2 ]" 1
622 1 86 LEU HG 1 88 GLY H 4.000 . 5.000 4.608 2.161 4.995 . 0 0 "[ . 1 . 2 ]" 1
623 1 38 TYR QD 1 39 PRO HA 4.000 . 7.000 4.583 4.023 5.207 . 0 0 "[ . 1 . 2 ]" 1
624 1 86 LEU MD2 1 88 GLY H 4.000 . 6.500 3.987 3.147 4.471 . 0 0 "[ . 1 . 2 ]" 1
625 1 38 TYR QD 1 60 PRO QD 3.000 . 6.500 2.395 1.894 3.103 . 0 0 "[ . 1 . 2 ]" 1
626 1 38 TYR QD 1 58 GLU HB2 4.000 . 7.000 4.931 3.519 6.433 . 0 0 "[ . 1 . 2 ]" 1
627 1 38 TYR QD 1 60 PRO QG 4.000 . 8.000 2.977 1.905 3.589 . 0 0 "[ . 1 . 2 ]" 1
628 1 38 TYR QD 1 59 TRP HA 4.000 . 7.000 3.298 2.613 4.190 . 0 0 "[ . 1 . 2 ]" 1
629 1 48 PHE QD 1 102 GLU HB2 4.000 . 7.000 4.778 3.396 5.938 . 0 0 "[ . 1 . 2 ]" 1
630 1 80 PHE QD 1 88 GLY H 4.000 . 7.000 5.893 5.739 6.235 . 0 0 "[ . 1 . 2 ]" 1
631 1 38 TYR QD 1 39 PRO QG 4.000 . 8.000 5.628 5.315 5.914 . 0 0 "[ . 1 . 2 ]" 1
632 1 38 TYR QD 1 60 PRO HD2 4.000 . 7.000 3.543 2.457 4.310 . 0 0 "[ . 1 . 2 ]" 1
633 1 20 GLN QG 1 88 GLY H 4.000 . 6.000 5.358 5.082 5.488 . 0 0 "[ . 1 . 2 ]" 1
634 1 48 PHE QD 1 102 GLU QG 4.000 . 8.000 3.232 1.867 5.153 . 0 0 "[ . 1 . 2 ]" 1
635 1 38 TYR QD 1 68 TYR QB 4.000 . 8.000 3.963 2.875 4.885 . 0 0 "[ . 1 . 2 ]" 1
636 1 48 PHE QD 1 101 VAL MG2 4.000 . 8.500 6.306 5.805 6.578 . 0 0 "[ . 1 . 2 ]" 1
637 1 75 ALA HA 1 92 HIS HD1 4.000 . 6.000 5.489 4.868 5.748 . 0 0 "[ . 1 . 2 ]" 1
638 1 36 ASN HB2 1 38 TYR QD 4.000 . 7.000 4.743 3.610 6.367 . 0 0 "[ . 1 . 2 ]" 1
639 1 42 TYR QD 1 43 ASN HA 4.000 . 7.000 4.438 3.353 5.012 . 0 0 "[ . 1 . 2 ]" 1
640 1 25 GLN QG 1 26 LEU H 4.000 . 6.000 4.148 3.457 4.529 . 0 0 "[ . 1 . 2 ]" 1
641 1 42 TYR QD 1 79 VAL MG2 4.000 . 8.500 2.724 1.890 3.547 . 0 0 "[ . 1 . 2 ]" 1
642 1 42 TYR QD 1 58 GLU QB 4.000 . 8.000 3.443 2.218 5.121 . 0 0 "[ . 1 . 2 ]" 1
643 1 42 TYR QD 1 50 PHE QE 4.000 . 9.000 4.192 2.954 5.216 . 0 0 "[ . 1 . 2 ]" 1
644 1 42 TYR QD 1 79 VAL MG1 3.000 . 7.000 2.713 1.888 3.894 . 0 0 "[ . 1 . 2 ]" 1
645 1 42 TYR QD 1 44 ASN HA 4.000 . 7.000 4.277 3.464 5.806 . 0 0 "[ . 1 . 2 ]" 1
646 1 42 TYR QD 1 56 TYR QB 3.000 . 6.500 2.780 1.763 3.583 . 0 0 "[ . 1 . 2 ]" 1
647 1 42 TYR QD 1 79 VAL HB 4.000 . 7.000 4.437 3.556 5.247 . 0 0 "[ . 1 . 2 ]" 1
648 1 90 ILE MD 1 100 PHE QE 4.000 . 8.500 4.028 3.025 4.661 . 0 0 "[ . 1 . 2 ]" 1
649 1 90 ILE QG 1 100 PHE QE 4.000 . 8.000 4.570 2.975 5.612 . 0 0 "[ . 1 . 2 ]" 1
650 1 48 PHE HZ 1 90 ILE MG 3.000 . 5.000 3.363 2.256 4.089 . 0 0 "[ . 1 . 2 ]" 1
651 1 46 GLU QG 1 48 PHE HZ 4.000 . 6.000 3.528 2.502 4.918 . 0 0 "[ . 1 . 2 ]" 1
652 1 46 GLU HB2 1 48 PHE HZ 4.000 . 5.000 3.548 2.097 5.049 0.049 7 0 "[ . 1 . 2 ]" 1
653 1 48 PHE HZ 1 101 VAL HA 3.000 . 3.500 2.132 1.836 2.739 . 0 0 "[ . 1 . 2 ]" 1
654 1 48 PHE HZ 1 101 VAL MG1 4.000 . 6.500 3.050 1.974 3.727 . 0 0 "[ . 1 . 2 ]" 1
655 1 48 PHE HZ 1 101 VAL HB 4.000 . 5.000 4.464 2.925 5.052 0.052 16 0 "[ . 1 . 2 ]" 1
656 1 43 ASN QB 1 45 TYR QE 4.000 . 6.500 3.105 1.880 4.742 . 0 0 "[ . 1 . 2 ]" 1
657 1 48 PHE HZ 1 102 GLU QG 4.000 . 6.000 4.621 3.097 5.409 . 0 0 "[ . 1 . 2 ]" 1
658 1 24 TYR QD 1 83 ASN QB 4.000 . 8.000 6.096 5.238 6.568 . 0 0 "[ . 1 . 2 ]" 1
659 1 11 TYR QD 1 61 ILE MD 4.000 . 8.500 3.115 2.650 3.815 . 0 0 "[ . 1 . 2 ]" 1
660 1 11 TYR QD 1 15 ASP HB3 4.000 . 7.000 4.396 3.135 6.072 . 0 0 "[ . 1 . 2 ]" 1
661 1 11 TYR QD 1 15 ASP HB2 4.000 . 7.000 5.309 3.990 6.338 . 0 0 "[ . 1 . 2 ]" 1
662 1 11 TYR QD 1 61 ILE MG 4.000 . 8.500 3.935 2.999 4.785 . 0 0 "[ . 1 . 2 ]" 1
663 1 24 TYR QD 1 80 PHE HB3 4.000 . 7.000 6.498 6.296 6.634 . 0 0 "[ . 1 . 2 ]" 1
664 1 21 ALA HA 1 24 TYR QD 4.000 . 7.000 2.822 2.227 3.548 . 0 0 "[ . 1 . 2 ]" 1
665 1 55 PRO QB 1 56 TYR QD 4.000 . 8.000 5.602 4.706 5.831 . 0 0 "[ . 1 . 2 ]" 1
666 1 24 TYR QD 1 84 ASN HA 4.000 . 7.000 4.747 3.269 5.613 . 0 0 "[ . 1 . 2 ]" 1
667 1 24 TYR QD 1 84 ASN HB2 4.000 . 7.000 4.472 2.765 5.949 . 0 0 "[ . 1 . 2 ]" 1
668 1 24 TYR QD 1 80 PHE QB 3.000 . 6.500 5.267 4.908 5.427 . 0 0 "[ . 1 . 2 ]" 1
669 1 4 TYR QD 1 78 VAL MG1 4.000 . 8.500 6.238 5.891 6.447 . 0 0 "[ . 1 . 2 ]" 1
670 1 4 TYR QD 1 16 VAL MG2 3.000 . 7.000 2.314 1.882 2.860 . 0 0 "[ . 1 . 2 ]" 1
671 1 3 ASP HB2 1 4 TYR QD 4.000 . 7.000 5.302 4.365 5.950 . 0 0 "[ . 1 . 2 ]" 1
672 1 4 TYR QD 1 89 VAL MG2 3.000 . 7.000 2.542 2.218 2.936 . 0 0 "[ . 1 . 2 ]" 1
673 1 38 TYR QE 1 59 TRP HA 4.000 . 7.000 4.754 3.853 5.965 . 0 0 "[ . 1 . 2 ]" 1
674 1 3 ASP HB3 1 4 TYR QD 3.000 . 5.500 3.983 2.963 4.607 . 0 0 "[ . 1 . 2 ]" 1
675 1 36 ASN HB2 1 38 TYR QE 4.000 . 7.000 5.401 4.313 6.510 . 0 0 "[ . 1 . 2 ]" 1
676 1 42 TYR QE 1 48 PHE QB 4.000 . 8.000 5.057 3.983 6.019 . 0 0 "[ . 1 . 2 ]" 1
677 1 42 TYR QE 1 90 ILE MD 4.000 . 8.500 3.088 1.849 4.070 . 0 0 "[ . 1 . 2 ]" 1
678 1 42 TYR QE 1 79 VAL MG1 4.000 . 8.500 4.209 3.367 5.235 . 0 0 "[ . 1 . 2 ]" 1
679 1 26 LEU QB 1 80 PHE QE 4.000 . 8.000 6.207 5.777 6.531 . 0 0 "[ . 1 . 2 ]" 1
680 1 27 HIS HA 1 80 PHE QE 4.000 . 7.000 6.044 5.575 6.414 . 0 0 "[ . 1 . 2 ]" 1
681 1 38 TYR QE 1 60 PRO HD2 4.000 . 7.000 4.809 3.777 5.729 . 0 0 "[ . 1 . 2 ]" 1
682 1 24 TYR QE 1 82 GLU QG 4.000 . 8.000 4.095 1.983 5.274 . 0 0 "[ . 1 . 2 ]" 1
683 1 24 TYR QE 1 28 GLU QB 4.000 . 8.000 3.077 2.208 3.959 . 0 0 "[ . 1 . 2 ]" 1
684 1 24 TYR HA 1 80 PHE QE 3.000 . 5.500 2.225 1.877 2.705 . 0 0 "[ . 1 . 2 ]" 1
685 1 24 TYR QE 1 82 GLU HA 4.000 . 5.500 2.808 2.038 3.680 . 0 0 "[ . 1 . 2 ]" 1
686 1 38 TYR QE 1 60 PRO QG 4.000 . 8.000 3.212 1.926 4.212 . 0 0 "[ . 1 . 2 ]" 1
687 1 24 TYR QB 1 80 PHE QE 3.000 . 6.500 2.757 2.187 3.565 . 0 0 "[ . 1 . 2 ]" 1
688 1 80 PHE QE 1 84 ASN QB 4.000 . 8.000 6.241 5.898 6.630 . 0 0 "[ . 1 . 2 ]" 1
689 1 20 GLN QG 1 80 PHE QE 4.000 . 8.000 5.136 3.978 5.511 . 0 0 "[ . 1 . 2 ]" 1
690 1 80 PHE QE 1 84 ASN HA 4.000 . 7.000 5.625 5.103 6.165 . 0 0 "[ . 1 . 2 ]" 1
691 1 24 TYR QE 1 28 GLU QG 3.000 . 6.500 3.767 2.443 4.703 . 0 0 "[ . 1 . 2 ]" 1
692 1 56 TYR QE 1 81 ASN QB 3.000 . 6.500 3.952 3.322 4.542 . 0 0 "[ . 1 . 2 ]" 1
693 1 44 ASN QB 1 56 TYR QE 3.000 . 8.000 4.680 2.469 6.294 . 0 0 "[ . 1 . 2 ]" 1
694 1 42 TYR QB 1 80 PHE QE 4.000 . 8.000 5.747 4.957 6.597 . 0 0 "[ . 1 . 2 ]" 1
695 1 56 TYR QE 1 79 VAL MG2 3.000 . 7.000 5.237 4.489 5.427 . 0 0 "[ . 1 . 2 ]" 1
696 1 55 PRO QD 1 56 TYR QE 4.000 . 8.000 5.409 4.407 5.789 . 0 0 "[ . 1 . 2 ]" 1
697 1 50 PHE QD 1 88 GLY HA2 4.000 . 7.000 4.759 3.707 6.171 . 0 0 "[ . 1 . 2 ]" 1
698 1 50 PHE QD 1 79 VAL MG2 4.000 . 8.500 5.150 3.965 6.396 . 0 0 "[ . 1 . 2 ]" 1
699 1 50 PHE QD 1 79 VAL MG1 4.000 . 8.500 4.493 3.143 6.269 . 0 0 "[ . 1 . 2 ]" 1
700 1 3 ASP HB2 1 4 TYR QE 4.000 . 7.000 5.799 4.942 6.489 . 0 0 "[ . 1 . 2 ]" 1
701 1 4 TYR QE 1 89 VAL HB 4.000 . 7.000 3.118 2.132 4.374 . 0 0 "[ . 1 . 2 ]" 1
702 1 4 TYR QE 1 13 SER QB 4.000 . 8.000 2.798 2.058 3.966 . 0 0 "[ . 1 . 2 ]" 1
703 1 4 TYR QE 1 16 VAL MG1 3.000 . 7.000 3.913 3.032 4.701 . 0 0 "[ . 1 . 2 ]" 1
704 1 4 TYR QE 1 89 VAL MG2 4.000 . 8.500 2.743 2.416 3.200 . 0 0 "[ . 1 . 2 ]" 1
705 1 4 TYR QE 1 13 SER HA 3.000 . 5.500 3.136 2.310 3.670 . 0 0 "[ . 1 . 2 ]" 1
706 1 4 TYR QE 1 86 LEU HG 4.000 . 7.000 3.380 2.557 4.304 . 0 0 "[ . 1 . 2 ]" 1
707 1 4 TYR QE 1 102 GLU QB 4.000 . 8.000 5.064 4.678 5.482 . 0 0 "[ . 1 . 2 ]" 1
708 1 27 HIS HD2 1 28 GLU QB 4.000 . 6.000 4.550 3.961 5.136 . 0 0 "[ . 1 . 2 ]" 1
709 1 59 TRP HD1 1 61 ILE MG 4.000 . 6.500 4.729 3.981 5.096 . 0 0 "[ . 1 . 2 ]" 1
710 1 27 HIS HD2 1 57 TYR QD 4.000 . 7.000 3.742 2.690 4.131 . 0 0 "[ . 1 . 2 ]" 1
711 1 27 HIS HD2 1 57 TYR QE 4.000 . 7.000 3.722 2.498 4.320 . 0 0 "[ . 1 . 2 ]" 1
712 1 23 GLY HA2 1 59 TRP HD1 4.000 . 5.000 5.038 4.910 5.082 0.082 6 0 "[ . 1 . 2 ]" 1
713 1 22 ALA MB 1 59 TRP HD1 4.000 . 6.500 4.335 3.729 4.666 . 0 0 "[ . 1 . 2 ]" 1
714 1 59 TRP HD1 1 78 VAL MG1 4.000 . 6.500 2.853 2.462 3.501 . 0 0 "[ . 1 . 2 ]" 1
715 1 19 ALA MB 1 59 TRP HD1 3.000 . 5.000 3.827 3.281 4.018 . 0 0 "[ . 1 . 2 ]" 1
716 1 44 ASN HB2 1 50 PHE QE 4.000 . 7.000 4.931 2.882 6.112 . 0 0 "[ . 1 . 2 ]" 1
717 1 50 PHE QE 1 79 VAL MG1 4.000 . 8.500 3.852 2.826 5.068 . 0 0 "[ . 1 . 2 ]" 1
718 1 50 PHE QE 1 79 VAL MG2 4.000 . 8.500 3.729 2.108 4.841 . 0 0 "[ . 1 . 2 ]" 1
719 1 50 PHE QE 1 88 GLY HA2 4.000 . 7.000 4.613 3.697 5.730 . 0 0 "[ . 1 . 2 ]" 1
720 1 50 PHE QE 1 90 ILE MD 4.000 . 8.500 4.076 3.330 5.549 . 0 0 "[ . 1 . 2 ]" 1
721 1 50 PHE HZ 1 79 VAL HB 4.000 . 5.000 4.754 4.128 5.038 0.038 12 0 "[ . 1 . 2 ]" 1
722 1 50 PHE HZ 1 79 VAL MG1 4.000 . 6.500 4.937 3.461 5.380 . 0 0 "[ . 1 . 2 ]" 1
723 1 50 PHE HZ 1 79 VAL MG2 4.000 . 6.500 4.146 2.863 4.921 . 0 0 "[ . 1 . 2 ]" 1
724 1 48 PHE HA 1 48 PHE QD 3.000 . 5.500 2.620 1.886 3.651 . 0 0 "[ . 1 . 2 ]" 1
725 1 92 HIS HB2 1 92 HIS HD2 4.000 . 5.000 3.378 2.695 3.793 . 0 0 "[ . 1 . 2 ]" 1
726 1 39 PRO QB 1 80 PHE HZ 4.000 . 6.000 3.379 2.902 3.544 . 0 0 "[ . 1 . 2 ]" 1
727 1 39 PRO QG 1 80 PHE HZ 4.000 . 6.000 5.337 4.877 5.437 . 0 0 "[ . 1 . 2 ]" 1
728 1 24 TYR HA 1 80 PHE HZ 4.000 . 5.000 3.162 2.360 4.035 . 0 0 "[ . 1 . 2 ]" 1
729 1 23 GLY HA2 1 80 PHE HZ 4.000 . 5.000 4.557 3.617 5.018 0.018 13 0 "[ . 1 . 2 ]" 1
730 1 48 PHE QB 1 50 PHE HZ 3.000 . 4.500 3.217 2.133 3.973 . 0 0 "[ . 1 . 2 ]" 1
731 1 56 TYR HA 1 57 TYR QD 3.000 . 5.500 3.136 2.592 4.106 . 0 0 "[ . 1 . 2 ]" 1
732 1 56 TYR HA 1 57 TYR QE 3.000 . 5.500 4.297 3.817 5.040 . 0 0 "[ . 1 . 2 ]" 1
733 1 41 LYS QG 1 57 TYR QE 3.000 . 6.500 4.317 3.445 5.095 . 0 0 "[ . 1 . 2 ]" 1
734 1 41 LYS QG 1 57 TYR QD 3.000 . 6.500 4.637 3.969 5.078 . 0 0 "[ . 1 . 2 ]" 1
735 1 41 LYS QE 1 57 TYR QD 4.000 . 8.000 5.798 4.752 6.370 . 0 0 "[ . 1 . 2 ]" 1
736 1 41 LYS QE 1 57 TYR QE 4.000 . 8.000 5.049 3.970 6.434 . 0 0 "[ . 1 . 2 ]" 1
737 1 23 GLY QA 1 80 PHE HZ 3.000 . 4.500 3.431 2.439 3.942 . 0 0 "[ . 1 . 2 ]" 1
738 1 57 TYR QD 1 79 VAL MG1 4.000 . 8.500 4.557 4.215 5.691 . 0 0 "[ . 1 . 2 ]" 1
739 1 11 TYR QE 1 16 VAL MG2 4.000 . 8.500 4.860 4.133 5.550 . 0 0 "[ . 1 . 2 ]" 1
740 1 23 GLY HA3 1 80 PHE HZ 4.000 . 5.000 3.553 2.480 4.124 . 0 0 "[ . 1 . 2 ]" 1
741 1 11 TYR QE 1 61 ILE QG 4.000 . 8.000 2.497 1.939 3.528 . 0 0 "[ . 1 . 2 ]" 1
742 1 43 ASN HB2 1 44 ASN H 4.000 . 5.000 3.466 1.866 4.660 . 0 0 "[ . 1 . 2 ]" 1
743 1 76 ASP QB 1 91 THR HA 4.000 . 6.000 4.434 3.864 4.825 . 0 0 "[ . 1 . 2 ]" 1
744 1 90 ILE MG 1 91 THR HA 4.000 . 6.500 5.488 5.354 5.569 . 0 0 "[ . 1 . 2 ]" 1
745 1 80 PHE HA 1 87 ALA MB 4.000 . 6.500 2.634 2.131 3.239 . 0 0 "[ . 1 . 2 ]" 1
746 1 80 PHE HA 1 81 ASN QB 4.000 . 6.000 4.160 3.928 4.614 . 0 0 "[ . 1 . 2 ]" 1
747 1 6 CYS HB2 1 76 ASP HA 4.000 . 5.000 4.625 3.593 5.024 0.024 15 0 "[ . 1 . 2 ]" 1
748 1 61 ILE MG 1 76 ASP HA 4.000 . 6.500 3.868 3.242 4.579 . 0 0 "[ . 1 . 2 ]" 1
749 1 40 HIS HA 1 41 LYS QB 4.000 . 6.000 4.322 4.087 4.559 . 0 0 "[ . 1 . 2 ]" 1
750 1 32 THR HA 1 39 PRO QD 4.000 . 6.000 3.484 2.844 4.073 . 0 0 "[ . 1 . 2 ]" 1
751 1 26 LEU MD1 1 32 THR HA 4.000 . 6.500 2.856 1.885 4.562 . 0 0 "[ . 1 . 2 ]" 1
752 1 26 LEU HG 1 32 THR HA 4.000 . 5.000 3.637 2.595 4.694 . 0 0 "[ . 1 . 2 ]" 1
753 1 2 CYS HB2 1 11 TYR HA 3.000 . 5.000 3.919 3.386 4.515 . 0 0 "[ . 1 . 2 ]" 1
754 1 12 SER HA 1 16 VAL MG2 4.000 . 6.500 4.162 3.869 4.417 . 0 0 "[ . 1 . 2 ]" 1
755 1 6 CYS HA 1 7 GLY HA2 4.000 . 5.000 4.481 4.367 4.643 . 0 0 "[ . 1 . 2 ]" 1
756 1 6 CYS HA 1 7 GLY HA3 4.000 . 5.000 4.747 4.543 4.921 . 0 0 "[ . 1 . 2 ]" 1
757 1 5 THR MG 1 6 CYS HA 4.000 . 6.500 4.428 3.356 5.551 . 0 0 "[ . 1 . 2 ]" 1
758 1 11 TYR HA 1 16 VAL MG2 4.000 . 6.500 4.199 3.711 4.952 . 0 0 "[ . 1 . 2 ]" 1
759 1 56 TYR HA 1 81 ASN HB2 4.000 . 5.000 4.007 3.290 4.826 . 0 0 "[ . 1 . 2 ]" 1
760 1 79 VAL HA 1 80 PHE HB3 4.000 . 5.000 4.250 4.139 4.438 . 0 0 "[ . 1 . 2 ]" 1
761 1 20 GLN QG 1 79 VAL HA 4.000 . 6.000 5.273 4.799 5.467 . 0 0 "[ . 1 . 2 ]" 1
762 1 90 ILE HA 1 102 GLU QB 3.000 . 6.000 4.600 3.881 5.165 . 0 0 "[ . 1 . 2 ]" 1
763 1 90 ILE HA 1 100 PHE HB2 4.000 . 5.000 4.970 4.292 5.179 0.179 6 0 "[ . 1 . 2 ]" 1
764 1 2 CYS QB 1 5 THR HA 4.000 . 6.000 4.716 3.770 5.423 . 0 0 "[ . 1 . 2 ]" 1
765 1 92 HIS HA 1 99 ASN QB 3.000 . 6.000 4.773 4.207 5.460 . 0 0 "[ . 1 . 2 ]" 1
766 1 33 VAL MG1 1 34 GLY QA 4.000 . 7.500 4.685 3.080 5.057 . 0 0 "[ . 1 . 2 ]" 1
767 1 33 VAL HB 1 34 GLY QA 4.000 . 6.000 3.807 3.514 4.128 . 0 0 "[ . 1 . 2 ]" 1
768 1 95 ALA MB 1 99 ASN HA 3.000 . 5.000 3.970 2.546 4.111 . 0 0 "[ . 1 . 2 ]" 1
769 1 92 HIS HA 1 101 VAL MG2 4.000 . 6.500 4.446 2.794 5.052 . 0 0 "[ . 1 . 2 ]" 1
770 1 98 ASN HB2 1 99 ASN HA 4.000 . 5.000 4.230 3.911 4.751 . 0 0 "[ . 1 . 2 ]" 1
771 1 60 PRO QD 1 77 ARG HA 4.000 . 6.000 5.150 4.806 5.422 . 0 0 "[ . 1 . 2 ]" 1
772 1 2 CYS HA 1 10 CYS HA 4.000 . 5.000 5.125 5.060 5.218 0.218 17 0 "[ . 1 . 2 ]" 1
773 1 82 GLU HB2 1 83 ASN HA 4.000 . 5.000 4.833 4.386 5.090 0.090 16 0 "[ . 1 . 2 ]" 1
774 1 61 ILE HB 1 77 ARG HA 4.000 . 5.000 4.368 3.697 4.989 . 0 0 "[ . 1 . 2 ]" 1
775 1 77 ARG HA 1 89 VAL MG1 4.000 . 6.500 4.722 4.079 5.295 . 0 0 "[ . 1 . 2 ]" 1
776 1 77 ARG HA 1 90 ILE MD 4.000 . 6.500 5.219 4.448 5.396 . 0 0 "[ . 1 . 2 ]" 1
777 1 76 ASP HB2 1 77 ARG HA 3.000 . 5.000 4.734 4.285 5.024 0.024 23 0 "[ . 1 . 2 ]" 1
778 1 91 THR MG 1 101 VAL HA 4.000 . 6.500 4.682 3.930 5.122 . 0 0 "[ . 1 . 2 ]" 1
779 1 102 GLU QB 1 103 CYS HA 4.000 . 6.000 4.735 4.471 5.025 . 0 0 "[ . 1 . 2 ]" 1
780 1 6 CYS QB 1 103 CYS HA 4.000 . 6.000 4.616 3.835 5.326 . 0 0 "[ . 1 . 2 ]" 1
781 1 32 THR MG 1 38 TYR HA 3.000 . 6.500 5.305 5.066 5.401 . 0 0 "[ . 1 . 2 ]" 1
782 1 61 ILE QG 1 62 LEU HA 4.000 . 6.000 3.606 3.480 3.712 . 0 0 "[ . 1 . 2 ]" 1
783 1 62 LEU HA 1 76 ASP QB 3.000 . 6.000 4.941 4.270 5.439 . 0 0 "[ . 1 . 2 ]" 1
784 1 33 VAL MG2 1 38 TYR HA 4.000 . 6.500 4.176 3.440 4.669 . 0 0 "[ . 1 . 2 ]" 1
785 1 50 PHE QB 1 52 VAL HA 3.000 . 6.000 5.035 4.634 5.349 . 0 0 "[ . 1 . 2 ]" 1
786 1 95 ALA MB 1 98 ASN HA 4.000 . 6.500 4.316 2.963 5.422 . 0 0 "[ . 1 . 2 ]" 1
787 1 49 ASP HA 1 50 PHE QB 4.000 . 6.000 4.667 4.088 5.422 . 0 0 "[ . 1 . 2 ]" 1
788 1 78 VAL MG2 1 89 VAL HA 4.000 . 6.500 2.596 1.894 3.512 . 0 0 "[ . 1 . 2 ]" 1
789 1 86 LEU MD1 1 89 VAL HA 4.000 . 6.500 4.082 3.590 4.517 . 0 0 "[ . 1 . 2 ]" 1
790 1 89 VAL HA 1 90 ILE MG 4.000 . 6.500 4.024 3.609 4.472 . 0 0 "[ . 1 . 2 ]" 1
791 1 95 ALA HA 1 101 VAL MG2 4.000 . 6.500 4.713 3.786 5.308 . 0 0 "[ . 1 . 2 ]" 1
792 1 89 VAL HA 1 90 ILE QG 4.000 . 6.000 3.748 3.239 4.005 . 0 0 "[ . 1 . 2 ]" 1
793 1 33 VAL MG1 1 69 SER HA 4.000 . 6.500 3.424 1.833 5.193 . 0 0 "[ . 1 . 2 ]" 1
794 1 15 ASP HA 1 18 THR MG 4.000 . 6.500 4.099 3.679 4.811 . 0 0 "[ . 1 . 2 ]" 1
795 1 2 CYS HA 1 11 TYR QB 4.000 . 6.000 5.050 4.613 5.487 . 0 0 "[ . 1 . 2 ]" 1
796 1 7 GLY HA2 1 8 SER HA 4.000 . 5.000 4.695 4.439 4.935 . 0 0 "[ . 1 . 2 ]" 1
797 1 89 VAL HA 1 90 ILE MD 4.000 . 6.500 4.478 2.738 5.221 . 0 0 "[ . 1 . 2 ]" 1
798 1 14 SER HA 1 16 VAL HB 4.000 . 5.000 5.022 4.850 5.090 0.090 6 0 "[ . 1 . 2 ]" 1
799 1 15 ASP HA 1 19 ALA MB 3.000 . 6.500 5.283 5.125 5.341 . 0 0 "[ . 1 . 2 ]" 1
800 1 52 VAL MG1 1 85 GLN HA 4.000 . 6.500 4.697 3.756 5.232 . 0 0 "[ . 1 . 2 ]" 1
801 1 84 ASN HA 1 85 GLN HA 4.000 . 5.000 4.831 4.730 4.921 . 0 0 "[ . 1 . 2 ]" 1
802 1 34 GLY HA2 1 69 SER HA 4.000 . 5.000 4.565 3.708 5.040 0.040 4 0 "[ . 1 . 2 ]" 1
803 1 52 VAL MG2 1 85 GLN HA 4.000 . 6.500 4.699 3.873 5.264 . 0 0 "[ . 1 . 2 ]" 1
804 1 39 PRO QD 1 60 PRO QD 4.000 . 7.000 4.368 3.700 4.970 . 0 0 "[ . 1 . 2 ]" 1
805 1 19 ALA HA 1 67 VAL MG1 4.000 . 6.500 4.729 2.835 5.176 . 0 0 "[ . 1 . 2 ]" 1
806 1 19 ALA HA 1 67 VAL MG2 4.000 . 6.500 4.294 3.123 4.969 . 0 0 "[ . 1 . 2 ]" 1
807 1 18 THR MG 1 19 ALA HA 4.000 . 6.500 4.869 3.225 5.277 . 0 0 "[ . 1 . 2 ]" 1
808 1 26 LEU QB 1 39 PRO QD 4.000 . 7.000 3.839 3.383 4.699 . 0 0 "[ . 1 . 2 ]" 1
809 1 26 LEU MD1 1 39 PRO QD 4.000 . 7.500 4.426 3.055 5.454 . 0 0 "[ . 1 . 2 ]" 1
810 1 32 THR MG 1 39 PRO QD 4.000 . 7.500 2.894 1.832 3.537 . 0 0 "[ . 1 . 2 ]" 1
811 1 61 ILE HA 1 78 VAL MG1 4.000 . 6.500 3.767 3.296 4.778 . 0 0 "[ . 1 . 2 ]" 1
812 1 18 THR HB 1 19 ALA MB 3.000 . 5.000 3.958 3.692 4.103 . 0 0 "[ . 1 . 2 ]" 1
813 1 61 ILE HA 1 62 LEU HG 4.000 . 5.000 3.490 3.315 3.781 . 0 0 "[ . 1 . 2 ]" 1
814 1 18 THR HB 1 21 ALA MB 4.000 . 6.500 5.073 4.757 5.301 . 0 0 "[ . 1 . 2 ]" 1
815 1 86 LEU QB 1 87 ALA HA 4.000 . 6.000 4.636 4.493 5.020 . 0 0 "[ . 1 . 2 ]" 1
816 1 41 LYS HA 1 42 TYR HB2 4.000 . 5.000 4.575 4.346 4.887 . 0 0 "[ . 1 . 2 ]" 1
817 1 41 LYS HA 1 42 TYR HB3 4.000 . 5.000 4.532 4.043 5.009 0.009 4 0 "[ . 1 . 2 ]" 1
818 1 52 VAL MG2 1 87 ALA HA 3.000 . 5.000 1.969 1.750 2.310 . 0 0 "[ . 1 . 2 ]" 1
819 1 60 PRO HA 1 61 ILE MG 4.000 . 6.500 3.248 3.089 3.435 . 0 0 "[ . 1 . 2 ]" 1
820 1 43 ASN HA 1 56 TYR QB 4.000 . 6.000 4.045 3.537 4.946 . 0 0 "[ . 1 . 2 ]" 1
821 1 60 PRO HA 1 77 ARG QB 3.000 . 4.500 3.551 2.376 4.119 . 0 0 "[ . 1 . 2 ]" 1
822 1 52 VAL MG1 1 87 ALA HA 4.000 . 6.500 3.842 3.339 4.316 . 0 0 "[ . 1 . 2 ]" 1
823 1 33 VAL MG2 1 34 GLY HA2 4.000 . 6.500 4.483 3.871 5.541 . 0 0 "[ . 1 . 2 ]" 1
824 1 90 ILE MG 1 102 GLU HA 3.000 . 5.000 2.890 2.125 3.815 . 0 0 "[ . 1 . 2 ]" 1
825 1 17 SER HA 1 21 ALA MB 4.000 . 6.500 4.816 4.269 5.130 . 0 0 "[ . 1 . 2 ]" 1
826 1 16 VAL MG1 1 17 SER HA 4.000 . 6.500 3.987 3.626 4.411 . 0 0 "[ . 1 . 2 ]" 1
827 1 1 ALA MB 1 12 SER HA 4.000 . 6.500 4.437 3.655 5.262 . 0 0 "[ . 1 . 2 ]" 1
828 1 16 VAL MG2 1 17 SER HA 4.000 . 6.500 5.361 5.237 5.450 . 0 0 "[ . 1 . 2 ]" 1
829 1 60 PRO QG 1 73 PRO HA 4.000 . 6.000 4.736 2.944 5.292 . 0 0 "[ . 1 . 2 ]" 1
830 1 90 ILE QG 1 91 THR HB 4.000 . 6.000 5.407 5.273 5.515 . 0 0 "[ . 1 . 2 ]" 1
831 1 6 CYS QB 1 91 THR HB 3.000 . 4.500 3.356 2.539 4.108 . 0 0 "[ . 1 . 2 ]" 1
832 1 21 ALA MB 1 22 ALA HA 4.000 . 6.500 3.981 3.928 4.035 . 0 0 "[ . 1 . 2 ]" 1
833 1 16 VAL HB 1 17 SER QB 4.000 . 6.000 4.245 4.039 4.427 . 0 0 "[ . 1 . 2 ]" 1
834 1 52 VAL MG2 1 86 LEU HA 3.000 . 5.000 3.956 3.817 4.229 . 0 0 "[ . 1 . 2 ]" 1
835 1 13 SER QB 1 86 LEU HG 4.000 . 6.000 4.708 3.027 5.433 . 0 0 "[ . 1 . 2 ]" 1
836 1 80 PHE HB3 1 86 LEU HA 4.000 . 5.000 3.254 2.571 3.740 . 0 0 "[ . 1 . 2 ]" 1
837 1 62 LEU MD1 1 68 TYR HA 3.000 . 5.000 2.226 1.727 3.063 . 0 0 "[ . 1 . 2 ]" 1
838 1 32 THR HB 1 37 SER HA 4.000 . 5.000 3.327 1.834 4.299 . 0 0 "[ . 1 . 2 ]" 1
839 1 32 THR HB 1 33 VAL MG2 3.000 . 6.500 3.686 2.226 4.605 . 0 0 "[ . 1 . 2 ]" 1
840 1 18 THR HA 1 22 ALA MB 3.000 . 6.500 5.250 5.120 5.354 . 0 0 "[ . 1 . 2 ]" 1
841 1 1 ALA MB 1 14 SER QB 4.000 . 7.500 5.296 4.590 5.559 . 0 0 "[ . 1 . 2 ]" 1
842 1 26 LEU HA 1 31 GLU HB2 4.000 . 5.000 3.990 2.853 5.005 0.005 15 0 "[ . 1 . 2 ]" 1
843 1 26 LEU HA 1 31 GLU QG 4.000 . 6.000 5.113 4.359 5.440 . 0 0 "[ . 1 . 2 ]" 1
844 1 26 LEU HA 1 31 GLU HB3 4.000 . 5.000 3.905 2.780 4.874 . 0 0 "[ . 1 . 2 ]" 1
845 1 32 THR MG 1 37 SER HB2 4.000 . 6.500 2.544 1.838 4.220 . 0 0 "[ . 1 . 2 ]" 1
846 1 95 ALA MB 1 96 SER QB 4.000 . 7.500 3.706 3.109 4.544 . 0 0 "[ . 1 . 2 ]" 1
847 1 74 GLY HA2 1 75 ALA MB 4.000 . 6.500 4.270 3.767 4.456 . 0 0 "[ . 1 . 2 ]" 1
848 1 80 PHE QB 1 84 ASN HA 4.000 . 6.000 2.887 2.172 3.479 . 0 0 "[ . 1 . 2 ]" 1
849 1 54 SER QB 1 55 PRO QG 3.000 . 7.000 3.622 3.367 3.688 . 0 0 "[ . 1 . 2 ]" 1
850 1 25 GLN HA 1 28 GLU QB 4.000 . 6.000 3.281 2.595 4.145 . 0 0 "[ . 1 . 2 ]" 1
851 1 54 SER HB3 1 55 PRO QB 3.000 . 6.000 5.406 5.116 5.480 . 0 0 "[ . 1 . 2 ]" 1
852 1 15 ASP QB 1 16 VAL HA 3.000 . 6.000 3.959 3.817 4.298 . 0 0 "[ . 1 . 2 ]" 1
853 1 16 VAL HA 1 19 ALA MB 4.000 . 6.500 2.738 2.380 3.170 . 0 0 "[ . 1 . 2 ]" 1
854 1 16 VAL HA 1 78 VAL MG1 4.000 . 6.500 4.251 3.713 4.831 . 0 0 "[ . 1 . 2 ]" 1
855 1 11 TYR QB 1 16 VAL HA 4.000 . 6.000 4.778 4.325 5.044 . 0 0 "[ . 1 . 2 ]" 1
856 1 75 ALA MB 1 92 HIS QB 3.000 . 6.000 3.896 3.733 4.046 . 0 0 "[ . 1 . 2 ]" 1
857 1 38 TYR QB 1 60 PRO QD 4.000 . 7.500 2.609 1.980 3.238 . 0 0 "[ . 1 . 2 ]" 1
858 1 20 GLN HA 1 78 VAL MG1 3.000 . 5.000 3.023 2.644 3.825 . 0 0 "[ . 1 . 2 ]" 1
859 1 59 TRP QB 1 60 PRO QD 4.000 . 7.000 3.171 3.018 3.266 . 0 0 "[ . 1 . 2 ]" 1
860 1 27 HIS QB 1 39 PRO QB 3.000 . 5.500 2.189 1.893 2.840 . 0 0 "[ . 1 . 2 ]" 1
861 1 9 ASN QB 1 11 TYR QB 3.000 . 5.500 3.946 3.174 4.358 . 0 0 "[ . 1 . 2 ]" 1
862 1 4 TYR QB 1 11 TYR QB 3.000 . 5.500 2.523 1.837 3.073 . 0 0 "[ . 1 . 2 ]" 1
863 1 95 ALA MB 1 99 ASN QB 3.000 . 6.000 1.895 1.618 4.040 . 0 0 "[ . 1 . 2 ]" 1
864 1 24 TYR QB 1 80 PHE QB 4.000 . 7.000 4.084 3.892 4.328 . 0 0 "[ . 1 . 2 ]" 1
865 1 20 GLN HG2 1 80 PHE QB 4.000 . 6.000 3.362 2.674 3.641 . 0 0 "[ . 1 . 2 ]" 1
866 1 59 TRP QB 1 78 VAL MG1 3.000 . 7.500 3.500 2.967 4.066 . 0 0 "[ . 1 . 2 ]" 1
867 1 6 CYS QB 1 91 THR MG 4.000 . 7.500 3.741 2.912 4.779 . 0 0 "[ . 1 . 2 ]" 1
868 1 6 CYS QB 1 9 ASN HB2 3.000 . 6.000 4.090 2.358 5.123 . 0 0 "[ . 1 . 2 ]" 1
869 1 83 ASN QB 1 85 GLN QG 4.000 . 7.000 2.184 1.759 3.997 . 0 0 "[ . 1 . 2 ]" 1
870 1 15 ASP QB 1 18 THR MG 4.000 . 7.500 5.419 5.069 5.582 . 0 0 "[ . 1 . 2 ]" 1
871 1 61 ILE MG 1 76 ASP QB 3.000 . 6.000 2.224 1.720 2.952 . 0 0 "[ . 1 . 2 ]" 1
872 1 46 GLU QG 1 100 PHE QB 4.000 . 7.000 4.894 3.795 5.352 . 0 0 "[ . 1 . 2 ]" 1
873 1 50 PHE HB2 1 87 ALA MB 4.000 . 6.500 3.897 2.502 4.961 . 0 0 "[ . 1 . 2 ]" 1
874 1 33 VAL MG1 1 38 TYR HB2 3.000 . 5.000 3.062 1.932 4.179 . 0 0 "[ . 1 . 2 ]" 1
875 1 32 THR MG 1 38 TYR HB2 3.000 . 6.500 4.912 4.660 5.210 . 0 0 "[ . 1 . 2 ]" 1
876 1 62 LEU HA 1 62 LEU MD1 3.000 . 5.000 3.850 3.744 3.977 . 0 0 "[ . 1 . 2 ]" 1
877 1 29 ASP QB 1 31 GLU HB2 3.000 . 6.000 2.693 2.200 3.381 . 0 0 "[ . 1 . 2 ]" 1
878 1 26 LEU MD1 1 29 ASP QB 3.000 . 7.500 3.037 2.329 3.723 . 0 0 "[ . 1 . 2 ]" 1
879 1 42 TYR HB2 1 56 TYR HB2 4.000 . 5.000 4.208 3.027 5.043 0.043 13 0 "[ . 1 . 2 ]" 1
880 1 1 ALA MB 1 2 CYS HB2 4.000 . 6.500 5.303 3.771 5.465 . 0 0 "[ . 1 . 2 ]" 1
881 1 42 TYR HB2 1 79 VAL MG1 4.000 . 6.500 3.522 2.051 5.041 . 0 0 "[ . 1 . 2 ]" 1
882 1 11 TYR HB3 1 61 ILE MD 4.000 . 6.500 4.426 3.950 4.851 . 0 0 "[ . 1 . 2 ]" 1
883 1 3 ASP QB 1 16 VAL MG2 4.000 . 8.000 5.232 4.630 5.621 . 0 0 "[ . 1 . 2 ]" 1
884 1 90 ILE HB 1 100 PHE HB2 4.000 . 5.000 2.758 1.904 3.508 . 0 0 "[ . 1 . 2 ]" 1
885 1 29 ASP HB2 1 31 GLU HB2 4.000 . 5.000 4.164 3.121 4.991 . 0 0 "[ . 1 . 2 ]" 1
886 1 90 ILE MG 1 100 PHE HB2 4.000 . 6.500 2.860 2.219 3.680 . 0 0 "[ . 1 . 2 ]" 1
887 1 100 PHE HB2 1 101 VAL MG2 4.000 . 6.500 4.963 4.581 5.429 . 0 0 "[ . 1 . 2 ]" 1
888 1 4 TYR QB 1 61 ILE MD 4.000 . 8.000 5.799 5.261 5.961 . 0 0 "[ . 1 . 2 ]" 1
889 1 39 PRO QB 1 60 PRO QD 3.000 . 7.000 4.656 4.359 5.247 . 0 0 "[ . 1 . 2 ]" 1
890 1 11 TYR HB2 1 16 VAL MG2 3.000 . 6.500 3.661 3.030 3.973 . 0 0 "[ . 1 . 2 ]" 1
891 1 4 TYR HB2 1 89 VAL MG2 4.000 . 6.500 3.168 2.411 3.982 . 0 0 "[ . 1 . 2 ]" 1
892 1 62 LEU MD1 1 66 ASP HB3 4.000 . 6.500 4.014 2.510 5.211 . 0 0 "[ . 1 . 2 ]" 1
893 1 52 VAL MG2 1 81 ASN QB 4.000 . 6.500 4.061 3.538 4.631 . 0 0 "[ . 1 . 2 ]" 1
894 1 33 VAL MG2 1 36 ASN HB2 4.000 . 6.500 4.136 2.358 5.356 . 0 0 "[ . 1 . 2 ]" 1
895 1 20 GLN HG2 1 80 PHE HB3 4.000 . 5.000 3.435 2.719 3.732 . 0 0 "[ . 1 . 2 ]" 1
896 1 60 PRO HD3 1 68 TYR QB 3.000 . 4.500 4.162 4.067 4.254 . 0 0 "[ . 1 . 2 ]" 1
897 1 23 GLY QA 1 60 PRO HD3 4.000 . 6.000 5.407 5.335 5.455 . 0 0 "[ . 1 . 2 ]" 1
898 1 83 ASN HB2 1 85 GLN QG 4.000 . 6.000 2.888 1.901 4.356 . 0 0 "[ . 1 . 2 ]" 1
899 1 41 LYS QG 1 42 TYR QB 4.000 . 7.000 4.716 4.096 5.445 . 0 0 "[ . 1 . 2 ]" 1
900 1 42 TYR QB 1 58 GLU QB 4.000 . 7.000 2.566 1.874 3.961 . 0 0 "[ . 1 . 2 ]" 1
901 1 42 TYR QB 1 79 VAL MG1 4.000 . 7.500 2.664 1.869 4.178 . 0 0 "[ . 1 . 2 ]" 1
902 1 101 VAL HB 1 102 GLU QG 3.000 . 6.000 4.016 3.059 5.375 . 0 0 "[ . 1 . 2 ]" 1
903 1 60 PRO HB2 1 68 TYR QB 4.000 . 6.000 2.857 2.510 3.342 . 0 0 "[ . 1 . 2 ]" 1
904 1 60 PRO HB3 1 68 TYR QB 3.000 . 4.500 3.941 3.677 4.140 . 0 0 "[ . 1 . 2 ]" 1
905 1 62 LEU MD1 1 68 TYR QB 3.000 . 6.000 2.785 2.074 3.999 . 0 0 "[ . 1 . 2 ]" 1
906 1 67 VAL MG2 1 68 TYR QB 3.000 . 7.500 5.364 5.062 5.602 . 0 0 "[ . 1 . 2 ]" 1
907 1 62 LEU MD2 1 68 TYR QB 3.000 . 6.000 3.177 2.662 4.334 . 0 0 "[ . 1 . 2 ]" 1
908 1 60 PRO QG 1 68 TYR QB 4.000 . 7.000 1.783 1.739 1.832 . 0 0 "[ . 1 . 2 ]" 1
909 1 25 GLN QG 1 28 GLU QB 3.000 . 7.000 4.239 3.581 5.034 . 0 0 "[ . 1 . 2 ]" 1
910 1 16 VAL HB 1 89 VAL MG2 4.000 . 6.500 4.202 3.633 5.207 . 0 0 "[ . 1 . 2 ]" 1
911 1 16 VAL HB 1 20 GLN QB 4.000 . 6.000 4.367 3.760 4.631 . 0 0 "[ . 1 . 2 ]" 1
912 1 16 VAL HB 1 78 VAL MG1 4.000 . 6.500 4.696 4.182 5.176 . 0 0 "[ . 1 . 2 ]" 1
913 1 16 VAL HB 1 20 GLN HG2 3.000 . 5.000 5.057 5.014 5.160 0.160 3 0 "[ . 1 . 2 ]" 1
914 1 26 LEU MD2 1 31 GLU QG 3.000 . 6.000 4.036 2.883 4.389 . 0 0 "[ . 1 . 2 ]" 1
915 1 90 ILE MG 1 102 GLU HB2 4.000 . 6.500 4.871 4.013 5.337 . 0 0 "[ . 1 . 2 ]" 1
916 1 22 ALA MB 1 23 GLY HA3 4.000 . 6.500 4.054 3.966 4.204 . 0 0 "[ . 1 . 2 ]" 1
917 1 22 ALA MB 1 25 GLN HB2 4.000 . 6.500 4.816 4.243 5.056 . 0 0 "[ . 1 . 2 ]" 1
918 1 16 VAL MG1 1 78 VAL HB 4.000 . 6.500 2.563 1.996 3.231 . 0 0 "[ . 1 . 2 ]" 1
919 1 19 ALA MB 1 78 VAL HB 4.000 . 6.500 5.133 4.346 5.349 . 0 0 "[ . 1 . 2 ]" 1
920 1 52 VAL MG1 1 85 GLN HB2 3.000 . 5.000 2.376 1.715 3.184 . 0 0 "[ . 1 . 2 ]" 1
921 1 52 VAL MG2 1 85 GLN HB2 4.000 . 6.500 2.745 1.986 4.291 . 0 0 "[ . 1 . 2 ]" 1
922 1 26 LEU MD1 1 31 GLU HB2 3.000 . 5.000 2.765 1.792 3.727 . 0 0 "[ . 1 . 2 ]" 1
923 1 90 ILE MG 1 102 GLU HB3 4.000 . 6.500 4.171 3.053 5.348 . 0 0 "[ . 1 . 2 ]" 1
924 1 19 ALA MB 1 61 ILE HG12 4.000 . 6.500 3.640 3.338 3.974 . 0 0 "[ . 1 . 2 ]" 1
925 1 19 ALA MB 1 78 VAL MG1 3.000 . 6.500 3.528 3.179 4.072 . 0 0 "[ . 1 . 2 ]" 1
926 1 19 ALA MB 1 21 ALA MB 4.000 . 8.000 5.469 5.265 5.555 . 0 0 "[ . 1 . 2 ]" 1
927 1 58 GLU QB 1 77 ARG QB 3.000 . 5.500 4.005 2.899 4.470 . 0 0 "[ . 1 . 2 ]" 1
928 1 86 LEU QB 1 89 VAL MG2 4.000 . 7.500 5.301 4.584 5.558 . 0 0 "[ . 1 . 2 ]" 1
929 1 22 ALA MB 1 67 VAL MG1 3.000 . 6.500 2.001 1.642 2.204 . 0 0 "[ . 1 . 2 ]" 1
930 1 22 ALA MB 1 67 VAL MG2 3.000 . 6.500 2.433 1.854 3.305 . 0 0 "[ . 1 . 2 ]" 1
931 1 60 PRO QG 1 62 LEU HG 4.000 . 6.000 4.750 4.119 5.114 . 0 0 "[ . 1 . 2 ]" 1
932 1 18 THR MG 1 21 ALA MB 4.000 . 8.000 3.987 3.670 4.313 . 0 0 "[ . 1 . 2 ]" 1
933 1 95 ALA MB 1 101 VAL MG2 3.000 . 6.500 3.017 2.467 4.423 . 0 0 "[ . 1 . 2 ]" 1
934 1 91 THR MG 1 101 VAL MG1 3.000 . 6.500 4.105 3.651 4.453 . 0 0 "[ . 1 . 2 ]" 1
935 1 90 ILE MG 1 91 THR MG 4.000 . 8.000 4.908 4.592 5.238 . 0 0 "[ . 1 . 2 ]" 1
936 1 16 VAL MG1 1 61 ILE HB 4.000 . 6.500 2.965 2.419 3.356 . 0 0 "[ . 1 . 2 ]" 1
937 1 77 ARG QB 1 78 VAL MG1 4.000 . 7.500 4.928 4.310 5.506 . 0 0 "[ . 1 . 2 ]" 1
938 1 46 GLU QB 1 101 VAL MG2 4.000 . 7.500 5.522 5.276 5.624 . 0 0 "[ . 1 . 2 ]" 1
939 1 61 ILE MG 1 78 VAL MG1 4.000 . 8.000 2.913 2.195 3.434 . 0 0 "[ . 1 . 2 ]" 1
940 1 61 ILE MD 1 78 VAL MG1 3.000 . 6.500 3.534 2.928 4.266 . 0 0 "[ . 1 . 2 ]" 1
941 1 16 VAL MG1 1 89 VAL MG2 3.000 . 6.500 2.440 1.957 3.241 . 0 0 "[ . 1 . 2 ]" 1
942 1 61 ILE MG 1 89 VAL MG1 4.000 . 5.000 2.906 2.480 3.311 . 0 0 "[ . 1 . 2 ]" 1
943 1 87 ALA MB 1 90 ILE MD 3.000 . 6.500 4.340 4.244 4.475 . 0 0 "[ . 1 . 2 ]" 1
944 1 13 SER H 1 13 SER QB 2.500 . 3.700 2.455 2.089 2.953 . 0 0 "[ . 1 . 2 ]" 1
945 1 13 SER H 1 13 SER HA 3.000 . 3.500 2.805 2.727 2.868 . 0 0 "[ . 1 . 2 ]" 1
946 1 33 VAL H 1 33 VAL MG2 4.000 . 6.500 2.004 1.821 2.355 . 0 0 "[ . 1 . 2 ]" 1
947 1 33 VAL H 1 33 VAL MG1 2.500 . 4.700 2.889 2.217 3.778 . 0 0 "[ . 1 . 2 ]" 1
948 1 33 VAL H 1 33 VAL HB 4.000 . 5.000 3.571 2.460 3.850 . 0 0 "[ . 1 . 2 ]" 1
949 1 91 THR H 1 91 THR MG 2.500 . 4.200 2.144 1.956 2.441 . 0 0 "[ . 1 . 2 ]" 1
950 1 7 GLY H 1 7 GLY QA 2.500 . 3.300 2.409 2.198 2.529 . 0 0 "[ . 1 . 2 ]" 1
951 1 12 SER H 1 12 SER HB2 4.000 . 5.000 2.758 2.145 3.536 . 0 0 "[ . 1 . 2 ]" 1
952 1 101 VAL H 1 101 VAL MG1 4.000 . 6.500 3.414 2.755 3.738 . 0 0 "[ . 1 . 2 ]" 1
953 1 101 VAL H 1 101 VAL MG2 2.500 . 4.200 2.204 1.814 2.414 . 0 0 "[ . 1 . 2 ]" 1
954 1 101 VAL H 1 101 VAL HB 4.000 . 5.000 3.782 3.558 4.006 . 0 0 "[ . 1 . 2 ]" 1
955 1 93 THR H 1 93 THR HA 3.000 . 3.500 2.851 2.802 2.910 . 0 0 "[ . 1 . 2 ]" 1
956 1 51 SER H 1 51 SER HB3 4.000 . 5.000 3.477 2.527 4.002 . 0 0 "[ . 1 . 2 ]" 1
957 1 51 SER H 1 51 SER HA 3.000 . 3.500 2.952 2.780 3.008 . 0 0 "[ . 1 . 2 ]" 1
958 1 51 SER H 1 51 SER HB2 4.000 . 5.000 3.304 2.472 3.990 . 0 0 "[ . 1 . 2 ]" 1
959 1 68 TYR H 1 68 TYR QB 3.000 . 4.500 2.293 2.114 2.811 . 0 0 "[ . 1 . 2 ]" 1
960 1 41 LYS H 1 41 LYS QB 2.500 . 3.700 2.334 2.158 2.745 . 0 0 "[ . 1 . 2 ]" 1
961 1 11 TYR H 1 11 TYR HB3 4.000 . 5.000 3.551 3.450 3.629 . 0 0 "[ . 1 . 2 ]" 1
962 1 11 TYR H 1 11 TYR HB2 4.000 . 5.000 2.259 2.155 2.403 . 0 0 "[ . 1 . 2 ]" 1
963 1 11 TYR H 1 11 TYR QD 4.000 . 7.000 2.784 2.036 3.659 . 0 0 "[ . 1 . 2 ]" 1
964 1 35 SER H 1 35 SER HA 3.000 . 3.500 2.702 2.297 2.981 . 0 0 "[ . 1 . 2 ]" 1
965 1 5 THR H 1 5 THR HB 4.000 . 5.000 3.077 2.451 3.907 . 0 0 "[ . 1 . 2 ]" 1
966 1 87 ALA H 1 87 ALA MB 2.500 . 4.200 2.228 2.085 2.293 . 0 0 "[ . 1 . 2 ]" 1
967 1 20 GLN H 1 20 GLN HA 3.000 . 3.500 2.893 2.849 2.930 . 0 0 "[ . 1 . 2 ]" 1
968 1 20 GLN H 1 20 GLN QB 2.500 . 3.700 2.185 2.065 2.373 . 0 0 "[ . 1 . 2 ]" 1
969 1 78 VAL H 1 78 VAL HB 4.000 . 5.000 2.714 2.264 3.181 . 0 0 "[ . 1 . 2 ]" 1
970 1 63 SER H 1 63 SER HA 3.000 . 3.500 2.998 2.880 3.009 . 0 0 "[ . 1 . 2 ]" 1
971 1 8 SER H 1 8 SER HA 3.000 . 3.500 2.641 2.305 3.008 . 0 0 "[ . 1 . 2 ]" 1
972 1 6 CYS H 1 6 CYS HB3 4.000 . 5.000 3.624 2.864 3.945 . 0 0 "[ . 1 . 2 ]" 1
973 1 100 PHE H 1 100 PHE QD 3.000 . 5.500 2.391 1.876 3.307 . 0 0 "[ . 1 . 2 ]" 1
974 1 100 PHE H 1 100 PHE QE 4.000 . 7.000 3.885 3.553 4.864 . 0 0 "[ . 1 . 2 ]" 1
975 1 46 GLU H 1 46 GLU QG 3.000 . 3.500 3.483 3.449 3.509 0.009 3 0 "[ . 1 . 2 ]" 1
976 1 46 GLU H 1 46 GLU HB3 3.000 . 3.500 2.987 2.114 3.260 . 0 0 "[ . 1 . 2 ]" 1
977 1 46 GLU H 1 46 GLU HB2 4.000 . 5.000 2.335 2.055 3.370 . 0 0 "[ . 1 . 2 ]" 1
978 1 46 GLU H 1 46 GLU HA 3.000 . 3.500 2.756 2.652 2.981 . 0 0 "[ . 1 . 2 ]" 1
979 1 58 GLU H 1 58 GLU HB3 4.000 . 5.000 3.034 2.594 3.784 . 0 0 "[ . 1 . 2 ]" 1
980 1 58 GLU H 1 58 GLU HB2 4.000 . 5.000 3.490 2.615 3.773 . 0 0 "[ . 1 . 2 ]" 1
981 1 94 GLY H 1 94 GLY QA 2.500 . 3.300 2.298 2.218 2.428 . 0 0 "[ . 1 . 2 ]" 1
982 1 38 TYR H 1 38 TYR QD 4.000 . 7.000 4.195 3.647 4.522 . 0 0 "[ . 1 . 2 ]" 1
983 1 38 TYR H 1 38 TYR HB3 4.000 . 5.000 3.524 3.086 3.938 . 0 0 "[ . 1 . 2 ]" 1
984 1 76 ASP H 1 76 ASP HB2 4.000 . 5.000 2.715 2.310 3.352 . 0 0 "[ . 1 . 2 ]" 1
985 1 38 TYR H 1 38 TYR HB2 3.000 . 3.500 2.837 2.188 3.361 . 0 0 "[ . 1 . 2 ]" 1
986 1 42 TYR H 1 42 TYR HB3 3.000 . 3.500 2.576 2.361 2.843 . 0 0 "[ . 1 . 2 ]" 1
987 1 42 TYR H 1 42 TYR HB2 4.000 . 5.000 3.082 2.444 3.608 . 0 0 "[ . 1 . 2 ]" 1
988 1 90 ILE H 1 90 ILE MD 4.000 . 5.000 3.027 1.732 3.663 0.068 19 0 "[ . 1 . 2 ]" 1
989 1 90 ILE H 1 90 ILE MG 3.000 . 5.000 2.611 2.084 3.272 . 0 0 "[ . 1 . 2 ]" 1
990 1 90 ILE H 1 90 ILE QG 4.000 . 6.000 1.916 1.703 2.218 . 0 0 "[ . 1 . 2 ]" 1
991 1 102 GLU H 1 102 GLU QB 2.500 . 3.700 2.590 2.318 2.842 . 0 0 "[ . 1 . 2 ]" 1
992 1 103 CYS H 1 103 CYS HB2 4.000 . 5.000 2.238 2.113 2.595 . 0 0 "[ . 1 . 2 ]" 1
993 1 75 ALA H 1 75 ALA MB 2.500 . 4.200 2.894 2.746 2.995 . 0 0 "[ . 1 . 2 ]" 1
994 1 103 CYS H 1 103 CYS HB3 3.000 . 3.500 3.452 3.061 3.603 0.103 3 0 "[ . 1 . 2 ]" 1
995 1 98 ASN H 1 98 ASN HB3 4.000 . 5.000 3.768 3.370 3.963 . 0 0 "[ . 1 . 2 ]" 1
996 1 98 ASN H 1 98 ASN HB2 3.000 . 3.500 3.567 2.781 3.898 0.398 1 0 "[ . 1 . 2 ]" 1
997 1 34 GLY H 1 34 GLY HA3 3.000 . 3.500 2.421 2.298 2.827 . 0 0 "[ . 1 . 2 ]" 1
998 1 97 GLY H 1 97 GLY QA 2.500 . 3.300 2.270 2.217 2.467 . 0 0 "[ . 1 . 2 ]" 1
999 1 67 VAL H 1 67 VAL MG2 2.500 . 4.200 2.331 1.866 2.755 . 0 0 "[ . 1 . 2 ]" 1
1000 1 17 SER H 1 17 SER HA 3.000 . 3.500 2.845 2.810 2.885 . 0 0 "[ . 1 . 2 ]" 1
1001 1 17 SER H 1 17 SER QB 2.500 . 3.700 2.172 2.077 2.279 . 0 0 "[ . 1 . 2 ]" 1
1002 1 24 TYR H 1 24 TYR HA 3.000 . 3.500 2.907 2.856 2.967 . 0 0 "[ . 1 . 2 ]" 1
1003 1 24 TYR H 1 24 TYR HB3 2.500 . 2.700 2.311 2.211 2.490 . 0 0 "[ . 1 . 2 ]" 1
1004 1 24 TYR H 1 24 TYR QD 3.000 . 5.500 4.136 4.023 4.184 . 0 0 "[ . 1 . 2 ]" 1
1005 1 36 ASN H 1 36 ASN HA 3.000 . 3.500 2.927 2.767 3.003 . 0 0 "[ . 1 . 2 ]" 1
1006 1 36 ASN H 1 36 ASN HB2 4.000 . 5.000 2.441 2.181 2.897 . 0 0 "[ . 1 . 2 ]" 1
1007 1 36 ASN H 1 36 ASN HB3 3.000 . 3.500 3.569 3.505 3.684 0.184 1 0 "[ . 1 . 2 ]" 1
1008 1 2 CYS H 1 2 CYS HB2 4.000 . 5.000 4.025 3.316 4.093 . 0 0 "[ . 1 . 2 ]" 1
1009 1 2 CYS H 1 2 CYS HB3 4.000 . 5.000 3.677 2.930 3.877 . 0 0 "[ . 1 . 2 ]" 1
1010 1 45 TYR H 1 45 TYR HA 3.000 . 3.500 2.782 2.315 3.012 . 0 0 "[ . 1 . 2 ]" 1
1011 1 43 ASN H 1 43 ASN QB 3.000 . 4.500 2.651 2.157 3.369 . 0 0 "[ . 1 . 2 ]" 1
1012 1 45 TYR H 1 45 TYR QB 3.000 . 4.500 2.904 2.277 3.526 . 0 0 "[ . 1 . 2 ]" 1
1013 1 28 GLU H 1 28 GLU HA 3.000 . 3.500 2.944 2.889 2.976 . 0 0 "[ . 1 . 2 ]" 1
1014 1 59 TRP H 1 59 TRP HB3 4.000 . 5.000 2.899 2.827 2.945 . 0 0 "[ . 1 . 2 ]" 1
1015 1 59 TRP H 1 59 TRP HB2 4.000 . 5.000 3.622 3.573 3.688 . 0 0 "[ . 1 . 2 ]" 1
1016 1 104 THR H 1 104 THR MG 3.000 . 5.000 2.787 1.893 3.739 . 0 0 "[ . 1 . 2 ]" 1
1017 1 3 ASP H 1 3 ASP HB2 3.000 . 3.500 2.637 2.249 3.004 . 0 0 "[ . 1 . 2 ]" 1
1018 1 59 TRP H 1 59 TRP HA 3.000 . 3.500 2.912 2.903 2.929 . 0 0 "[ . 1 . 2 ]" 1
1019 1 86 LEU H 1 86 LEU MD2 4.000 . 6.500 3.784 3.423 4.683 . 0 0 "[ . 1 . 2 ]" 1
1020 1 86 LEU H 1 86 LEU MD1 4.000 . 6.500 4.159 3.973 4.771 . 0 0 "[ . 1 . 2 ]" 1
1021 1 18 THR H 1 18 THR MG 3.000 . 5.000 3.188 2.739 3.746 . 0 0 "[ . 1 . 2 ]" 1
1022 1 96 SER H 1 96 SER HA 2.500 . 2.700 2.546 2.327 2.765 0.065 19 0 "[ . 1 . 2 ]" 1
1023 1 4 TYR H 1 4 TYR HB2 4.000 . 5.000 2.375 2.217 2.515 . 0 0 "[ . 1 . 2 ]" 1
1024 1 4 TYR H 1 4 TYR QD 3.000 . 5.500 3.359 2.827 3.781 . 0 0 "[ . 1 . 2 ]" 1
1025 1 4 TYR H 1 4 TYR HB3 4.000 . 5.000 3.629 3.537 3.696 . 0 0 "[ . 1 . 2 ]" 1
1026 1 48 PHE H 1 48 PHE QB 3.000 . 4.500 2.638 2.196 3.435 . 0 0 "[ . 1 . 2 ]" 1
1027 1 48 PHE H 1 48 PHE HA 3.000 . 3.500 2.935 2.320 3.006 . 0 0 "[ . 1 . 2 ]" 1
1028 1 10 CYS H 1 10 CYS HB2 3.000 . 3.500 2.858 2.120 3.374 . 0 0 "[ . 1 . 2 ]" 1
1029 1 10 CYS H 1 10 CYS HB3 3.000 . 3.500 3.214 2.543 3.744 0.244 12 0 "[ . 1 . 2 ]" 1
1030 1 84 ASN H 1 84 ASN HB2 4.000 . 5.000 3.721 3.179 3.982 . 0 0 "[ . 1 . 2 ]" 1
1031 1 84 ASN H 1 84 ASN HA 2.500 . 2.700 2.293 2.267 2.323 . 0 0 "[ . 1 . 2 ]" 1
1032 1 80 PHE H 1 80 PHE QE 3.000 . 6.500 4.013 3.758 4.387 . 0 0 "[ . 1 . 2 ]" 1
1033 1 80 PHE H 1 80 PHE HB3 4.000 . 5.000 3.430 3.355 3.559 . 0 0 "[ . 1 . 2 ]" 1
1034 1 80 PHE H 1 80 PHE HB2 4.000 . 5.000 3.949 3.825 4.050 . 0 0 "[ . 1 . 2 ]" 1
1035 1 69 SER H 1 69 SER HB2 4.000 . 5.000 3.292 2.364 3.984 . 0 0 "[ . 1 . 2 ]" 1
1036 1 56 TYR H 1 56 TYR QE 4.000 . 7.000 4.881 3.891 5.255 . 0 0 "[ . 1 . 2 ]" 1
1037 1 56 TYR H 1 56 TYR HB3 4.000 . 5.000 3.550 3.468 3.646 . 0 0 "[ . 1 . 2 ]" 1
1038 1 32 THR H 1 32 THR MG 3.000 . 5.000 3.837 3.446 4.023 . 0 0 "[ . 1 . 2 ]" 1
1039 1 56 TYR H 1 56 TYR HB2 4.000 . 5.000 2.272 2.174 2.678 . 0 0 "[ . 1 . 2 ]" 1
1040 1 40 HIS H 1 40 HIS HA 3.000 . 3.500 2.986 2.967 3.002 . 0 0 "[ . 1 . 2 ]" 1
1041 1 40 HIS H 1 40 HIS HD1 4.000 . 6.000 2.892 1.801 3.272 . 0 0 "[ . 1 . 2 ]" 1
1042 1 40 HIS H 1 40 HIS HB2 4.000 . 5.000 3.500 3.427 3.684 . 0 0 "[ . 1 . 2 ]" 1
1043 1 9 ASN H 1 9 ASN QB 3.000 . 4.500 2.419 2.079 3.067 . 0 0 "[ . 1 . 2 ]" 1
1044 1 31 GLU H 1 31 GLU QG 4.000 . 6.000 3.797 2.442 4.292 . 0 0 "[ . 1 . 2 ]" 1
1045 1 54 SER H 1 54 SER HB3 4.000 . 5.000 3.506 3.403 4.033 . 0 0 "[ . 1 . 2 ]" 1
1046 1 54 SER H 1 54 SER HA 3.000 . 3.500 2.904 2.823 2.959 . 0 0 "[ . 1 . 2 ]" 1
1047 1 54 SER H 1 54 SER HB2 3.000 . 3.500 3.142 2.922 3.550 0.050 6 0 "[ . 1 . 2 ]" 1
1048 1 31 GLU H 1 31 GLU HB3 3.000 . 3.500 3.060 2.324 3.576 0.076 2 0 "[ . 1 . 2 ]" 1
1049 1 31 GLU H 1 31 GLU HB2 3.000 . 3.500 2.397 2.133 2.958 . 0 0 "[ . 1 . 2 ]" 1
1050 1 99 ASN H 1 99 ASN HA 3.000 . 3.500 2.479 2.275 3.000 . 0 0 "[ . 1 . 2 ]" 1
1051 1 65 GLY H 1 65 GLY QA 2.500 . 3.300 2.316 2.219 2.534 . 0 0 "[ . 1 . 2 ]" 1
1052 1 85 GLN H 1 85 GLN HB3 4.000 . 5.000 3.560 3.447 3.625 . 0 0 "[ . 1 . 2 ]" 1
1053 1 85 GLN H 1 85 GLN HA 3.000 . 3.500 2.843 2.776 2.928 . 0 0 "[ . 1 . 2 ]" 1
1054 1 16 VAL H 1 16 VAL MG2 2.500 . 4.200 2.026 1.809 2.252 . 0 0 "[ . 1 . 2 ]" 1
1055 1 16 VAL H 1 16 VAL HB 3.000 . 3.500 2.709 2.544 2.848 . 0 0 "[ . 1 . 2 ]" 1
1056 1 85 GLN H 1 85 GLN HB2 3.000 . 3.500 2.805 2.117 3.121 . 0 0 "[ . 1 . 2 ]" 1
1057 1 85 GLN H 1 85 GLN QG 4.000 . 6.000 2.101 1.800 3.632 . 0 0 "[ . 1 . 2 ]" 1
1058 1 95 ALA H 1 95 ALA MB 2.500 . 4.200 2.501 2.289 2.858 . 0 0 "[ . 1 . 2 ]" 1
1059 1 95 ALA H 1 95 ALA HA 3.000 . 3.500 2.947 2.315 3.002 . 0 0 "[ . 1 . 2 ]" 1
1060 1 27 HIS H 1 27 HIS HB3 3.000 . 3.500 2.434 2.119 2.615 . 0 0 "[ . 1 . 2 ]" 1
1061 1 27 HIS H 1 27 HIS HA 3.000 . 3.500 2.843 2.759 2.944 . 0 0 "[ . 1 . 2 ]" 1
1062 1 27 HIS H 1 27 HIS HB2 3.000 . 3.500 2.724 2.537 3.212 . 0 0 "[ . 1 . 2 ]" 1
1063 1 50 PHE H 1 50 PHE QD 3.000 . 5.500 2.809 1.956 3.560 . 0 0 "[ . 1 . 2 ]" 1
1064 1 50 PHE H 1 50 PHE HA 3.000 . 3.500 2.685 2.312 2.999 . 0 0 "[ . 1 . 2 ]" 1
1065 1 50 PHE H 1 50 PHE QB 3.000 . 4.500 2.917 2.408 3.524 . 0 0 "[ . 1 . 2 ]" 1
1066 1 74 GLY H 1 74 GLY QA 2.500 . 3.300 2.309 2.178 2.543 . 0 0 "[ . 1 . 2 ]" 1
1067 1 37 SER H 1 37 SER HA 2.500 . 2.700 2.384 2.289 2.797 0.097 10 0 "[ . 1 . 2 ]" 1
1068 1 64 SER H 1 64 SER HB2 4.000 . 5.000 2.614 2.087 3.202 . 0 0 "[ . 1 . 2 ]" 1
1069 1 64 SER H 1 64 SER HA 3.000 . 3.500 2.951 2.810 3.002 . 0 0 "[ . 1 . 2 ]" 1
1070 1 64 SER H 1 64 SER HB3 4.000 . 5.000 3.384 3.066 3.889 . 0 0 "[ . 1 . 2 ]" 1
1071 1 19 ALA H 1 19 ALA HA 3.000 . 3.500 2.904 2.864 2.948 . 0 0 "[ . 1 . 2 ]" 1
1072 1 19 ALA H 1 19 ALA MB 2.500 . 4.200 2.190 2.060 2.273 . 0 0 "[ . 1 . 2 ]" 1
1073 1 29 ASP H 1 29 ASP HB2 3.000 . 3.500 2.447 2.153 2.817 . 0 0 "[ . 1 . 2 ]" 1
1074 1 29 ASP H 1 29 ASP HB3 3.000 . 3.500 2.998 2.441 3.540 0.040 8 0 "[ . 1 . 2 ]" 1
1075 1 66 ASP H 1 66 ASP HB2 3.000 . 3.500 2.983 2.201 3.579 0.079 17 0 "[ . 1 . 2 ]" 1
1076 1 66 ASP H 1 66 ASP HB3 3.000 . 3.500 3.378 2.528 3.656 0.156 21 0 "[ . 1 . 2 ]" 1
1077 1 25 GLN H 1 25 GLN HB3 3.000 . 3.500 3.170 2.677 3.556 0.056 18 0 "[ . 1 . 2 ]" 1
1078 1 59 TRP QB 1 59 TRP HE3 2.500 . 3.700 2.666 2.548 2.734 . 0 0 "[ . 1 . 2 ]" 1
1079 1 40 HIS HA 1 40 HIS HD1 3.000 . 3.500 3.518 3.200 3.857 0.357 1 0 "[ . 1 . 2 ]" 1
1080 1 80 PHE QB 1 80 PHE QD 2.500 . 5.700 2.153 2.141 2.163 . 0 0 "[ . 1 . 2 ]" 1
1081 1 83 ASN H 1 83 ASN HB2 3.000 . 3.500 2.630 2.178 3.473 . 0 0 "[ . 1 . 2 ]" 1
1082 1 83 ASN H 1 83 ASN HA 3.000 . 3.500 2.952 2.917 2.979 . 0 0 "[ . 1 . 2 ]" 1
1083 1 47 GLY H 1 47 GLY QA 2.500 . 3.300 2.465 2.318 2.542 . 0 0 "[ . 1 . 2 ]" 1
1084 1 48 PHE HA 1 48 PHE QE 4.000 . 7.000 4.628 4.166 5.560 . 0 0 "[ . 1 . 2 ]" 1
1085 1 61 ILE H 1 61 ILE HB 4.000 . 5.000 3.321 3.123 3.472 . 0 0 "[ . 1 . 2 ]" 1
1086 1 100 PHE QB 1 100 PHE QD 2.500 . 5.700 2.144 2.127 2.195 . 0 0 "[ . 1 . 2 ]" 1
1087 1 100 PHE HA 1 100 PHE QD 3.000 . 5.500 3.068 2.023 3.682 . 0 0 "[ . 1 . 2 ]" 1
1088 1 48 PHE HB2 1 48 PHE QD 2.500 . 4.700 2.364 2.294 2.501 . 0 0 "[ . 1 . 2 ]" 1
1089 1 22 ALA H 1 22 ALA MB 2.500 . 4.200 2.237 2.078 2.271 . 0 0 "[ . 1 . 2 ]" 1
1090 1 45 TYR QB 1 45 TYR QD 2.500 . 5.700 2.183 2.139 2.326 . 0 0 "[ . 1 . 2 ]" 1
1091 1 38 TYR HA 1 38 TYR QD 4.000 . 7.000 2.460 1.912 2.922 . 0 0 "[ . 1 . 2 ]" 1
1092 1 38 TYR HB3 1 38 TYR QD 3.000 . 5.500 2.567 2.260 2.767 . 0 0 "[ . 1 . 2 ]" 1
1093 1 92 HIS HB2 1 92 HIS HD1 3.000 . 4.500 2.836 2.638 2.953 . 0 0 "[ . 1 . 2 ]" 1
1094 1 92 HIS HB3 1 92 HIS HD1 3.000 . 4.500 2.664 2.460 2.881 . 0 0 "[ . 1 . 2 ]" 1
1095 1 52 VAL H 1 52 VAL MG2 2.500 . 4.200 2.473 1.803 3.019 . 0 0 "[ . 1 . 2 ]" 1
1096 1 26 LEU H 1 26 LEU HA 3.000 . 3.500 2.833 2.735 2.918 . 0 0 "[ . 1 . 2 ]" 1
1097 1 42 TYR HB2 1 42 TYR QD 3.000 . 5.500 2.626 2.308 2.787 . 0 0 "[ . 1 . 2 ]" 1
1098 1 42 TYR HA 1 42 TYR QD 3.000 . 5.500 2.350 1.864 3.398 . 0 0 "[ . 1 . 2 ]" 1
1099 1 26 LEU H 1 26 LEU QB 2.500 . 3.700 2.133 2.062 2.322 . 0 0 "[ . 1 . 2 ]" 1
1100 1 42 TYR QB 1 42 TYR QD 2.500 . 5.700 2.186 2.147 2.273 . 0 0 "[ . 1 . 2 ]" 1
1101 1 11 TYR HA 1 11 TYR QD 3.000 . 5.500 2.523 1.798 3.052 . 0 0 "[ . 1 . 2 ]" 1
1102 1 11 TYR HB2 1 11 TYR QD 3.000 . 5.500 2.574 2.346 2.779 . 0 0 "[ . 1 . 2 ]" 1
1103 1 45 TYR HA 1 45 TYR QE 4.000 . 7.000 4.400 4.026 5.536 . 0 0 "[ . 1 . 2 ]" 1
1104 1 24 TYR HA 1 24 TYR QD 2.500 . 4.700 2.242 1.949 2.696 . 0 0 "[ . 1 . 2 ]" 1
1105 1 24 TYR QB 1 24 TYR QD 2.500 . 5.900 2.198 2.143 2.253 . 0 0 "[ . 1 . 2 ]" 1
1106 1 4 TYR HB3 1 4 TYR QD 2.500 . 4.900 2.645 2.495 2.767 . 0 0 "[ . 1 . 2 ]" 1
1107 1 56 TYR HB2 1 56 TYR QE 2.500 . 4.700 4.413 4.385 4.505 . 0 0 "[ . 1 . 2 ]" 1
1108 1 56 TYR HB3 1 56 TYR QE 2.500 . 4.700 4.459 4.404 4.508 . 0 0 "[ . 1 . 2 ]" 1
1109 1 50 PHE QB 1 50 PHE QD 2.500 . 5.700 2.214 2.142 2.335 . 0 0 "[ . 1 . 2 ]" 1
1110 1 4 TYR QB 1 4 TYR QE 4.000 . 8.000 3.970 3.957 3.989 . 0 0 "[ . 1 . 2 ]" 1
1111 1 27 HIS HB3 1 27 HIS HD2 3.000 . 3.500 2.819 2.738 3.717 0.217 20 0 "[ . 1 . 2 ]" 1
1112 1 59 TRP QB 1 59 TRP HD1 3.000 . 4.500 2.539 2.501 2.630 . 0 0 "[ . 1 . 2 ]" 1
1113 1 11 TYR HA 1 11 TYR QE 4.000 . 7.000 4.294 4.074 4.527 . 0 0 "[ . 1 . 2 ]" 1
1114 1 81 ASN HA 1 81 ASN HB2 3.000 . 3.500 2.479 2.235 3.001 . 0 0 "[ . 1 . 2 ]" 1
1115 1 44 ASN H 1 44 ASN HB3 4.000 . 5.000 3.600 2.912 4.078 . 0 0 "[ . 1 . 2 ]" 1
1116 1 44 ASN H 1 44 ASN HA 3.000 . 3.500 2.515 2.284 3.000 . 0 0 "[ . 1 . 2 ]" 1
1117 1 44 ASN H 1 44 ASN HB2 4.000 . 5.000 3.444 2.137 4.135 . 0 0 "[ . 1 . 2 ]" 1
1118 1 91 THR HA 1 91 THR MG 3.000 . 5.000 3.190 3.173 3.212 . 0 0 "[ . 1 . 2 ]" 1
1119 1 91 THR HA 1 91 THR HB 3.000 . 3.500 2.518 2.372 2.610 . 0 0 "[ . 1 . 2 ]" 1
1120 1 80 PHE HA 1 80 PHE HB3 3.000 . 3.500 2.430 2.378 2.506 . 0 0 "[ . 1 . 2 ]" 1
1121 1 80 PHE HA 1 80 PHE HB2 3.000 . 3.500 2.504 2.449 2.572 . 0 0 "[ . 1 . 2 ]" 1
1122 1 40 HIS HA 1 40 HIS HB3 2.500 . 2.900 2.259 2.228 2.306 . 0 0 "[ . 1 . 2 ]" 1
1123 1 40 HIS HA 1 40 HIS HB2 2.500 . 2.900 2.869 2.762 2.905 0.005 18 0 "[ . 1 . 2 ]" 1
1124 1 32 THR HA 1 32 THR HB 2.500 . 2.900 2.884 2.596 3.012 0.112 7 0 "[ . 1 . 2 ]" 1
1125 1 32 THR HA 1 32 THR MG 2.500 . 4.200 2.039 1.947 2.143 . 0 0 "[ . 1 . 2 ]" 1
1126 1 59 TRP HA 1 59 TRP HB2 3.000 . 3.500 2.379 2.338 2.401 . 0 0 "[ . 1 . 2 ]" 1
1127 1 100 PHE HA 1 100 PHE HB3 3.000 . 3.500 2.291 2.186 2.619 . 0 0 "[ . 1 . 2 ]" 1
1128 1 6 CYS HA 1 6 CYS HB3 3.000 . 3.500 2.575 2.335 3.024 . 0 0 "[ . 1 . 2 ]" 1
1129 1 79 VAL HA 1 79 VAL MG2 2.500 . 4.200 2.394 2.104 2.875 . 0 0 "[ . 1 . 2 ]" 1
1130 1 79 VAL HA 1 79 VAL MG1 3.000 . 5.000 2.418 2.069 3.108 . 0 0 "[ . 1 . 2 ]" 1
1131 1 5 THR HA 1 5 THR MG 2.500 . 4.200 2.468 2.064 3.213 . 0 0 "[ . 1 . 2 ]" 1
1132 1 90 ILE HA 1 90 ILE HB 3.000 . 3.500 2.479 2.369 2.615 . 0 0 "[ . 1 . 2 ]" 1
1133 1 83 ASN HA 1 83 ASN HB2 3.000 . 3.500 2.866 2.444 3.031 . 0 0 "[ . 1 . 2 ]" 1
1134 1 10 CYS HA 1 10 CYS HB2 3.000 . 3.500 2.588 2.443 2.768 . 0 0 "[ . 1 . 2 ]" 1
1135 1 101 VAL HA 1 101 VAL MG1 2.500 . 4.200 2.190 2.100 2.411 . 0 0 "[ . 1 . 2 ]" 1
1136 1 62 LEU HA 1 62 LEU MD2 3.000 . 5.000 2.091 1.941 2.302 . 0 0 "[ . 1 . 2 ]" 1
1137 1 89 VAL HA 1 89 VAL MG1 3.000 . 5.000 2.371 2.219 2.453 . 0 0 "[ . 1 . 2 ]" 1
1138 1 2 CYS HA 1 2 CYS HB3 3.000 . 3.500 2.416 2.287 3.023 . 0 0 "[ . 1 . 2 ]" 1
1139 1 78 VAL HA 1 78 VAL MG1 3.000 . 5.000 3.186 2.841 3.215 . 0 0 "[ . 1 . 2 ]" 1
1140 1 78 VAL HA 1 78 VAL HB 2.500 . 2.900 2.541 2.421 2.951 0.051 14 0 "[ . 1 . 2 ]" 1
1141 1 69 SER HA 1 69 SER QB 2.500 . 3.900 2.337 2.174 2.553 . 0 0 "[ . 1 . 2 ]" 1
1142 1 104 THR HA 1 104 THR MG 2.500 . 4.200 2.519 2.117 3.214 . 0 0 "[ . 1 . 2 ]" 1
1143 1 85 GLN HA 1 85 GLN HB3 3.000 . 3.500 2.412 2.281 2.791 . 0 0 "[ . 1 . 2 ]" 1
1144 1 85 GLN HA 1 85 GLN QG 3.000 . 4.300 2.630 2.199 2.830 . 0 0 "[ . 1 . 2 ]" 1
1145 1 85 GLN HA 1 85 GLN HB2 3.000 . 3.500 3.004 2.958 3.049 . 0 0 "[ . 1 . 2 ]" 1
1146 1 39 PRO QB 1 39 PRO QD 3.000 . 5.500 2.973 2.948 3.002 . 0 0 "[ . 1 . 2 ]" 1
1147 1 44 ASN HA 1 44 ASN HB2 3.000 . 3.500 2.730 2.265 3.042 . 0 0 "[ . 1 . 2 ]" 1
1148 1 3 ASP HA 1 3 ASP HB2 2.500 . 2.900 2.609 2.487 2.757 . 0 0 "[ . 1 . 2 ]" 1
1149 1 3 ASP HA 1 3 ASP HB3 3.000 . 3.500 3.030 2.983 3.051 . 0 0 "[ . 1 . 2 ]" 1
1150 1 61 ILE HA 1 61 ILE HB 3.000 . 3.500 2.331 2.288 2.379 . 0 0 "[ . 1 . 2 ]" 1
1151 1 82 GLU HA 1 82 GLU HG2 4.000 . 5.000 3.260 2.040 4.156 . 0 0 "[ . 1 . 2 ]" 1
1152 1 82 GLU HA 1 82 GLU HB2 3.000 . 3.500 2.739 2.422 3.046 . 0 0 "[ . 1 . 2 ]" 1
1153 1 102 GLU HA 1 102 GLU HB3 3.000 . 3.500 2.427 2.298 2.594 . 0 0 "[ . 1 . 2 ]" 1
1154 1 102 GLU HA 1 102 GLU HG3 4.000 . 5.000 3.586 2.583 4.187 . 0 0 "[ . 1 . 2 ]" 1
1155 1 17 SER HA 1 17 SER QB 2.500 . 3.900 2.386 2.181 2.551 . 0 0 "[ . 1 . 2 ]" 1
1156 1 86 LEU HA 1 86 LEU QB 2.500 . 3.900 2.518 2.264 2.577 . 0 0 "[ . 1 . 2 ]" 1
1157 1 18 THR HA 1 18 THR MG 2.500 . 4.200 2.201 2.157 2.482 . 0 0 "[ . 1 . 2 ]" 1
1158 1 67 VAL HA 1 67 VAL HB 3.000 . 3.500 3.041 3.028 3.049 . 0 0 "[ . 1 . 2 ]" 1
1159 1 26 LEU HA 1 26 LEU MD1 2.500 . 4.200 2.104 1.813 2.781 . 0 0 "[ . 1 . 2 ]" 1
1160 1 46 GLU HA 1 46 GLU QG 3.000 . 4.500 2.201 1.969 3.312 . 0 0 "[ . 1 . 2 ]" 1
1161 1 54 SER HA 1 54 SER HB3 3.000 . 3.500 2.241 2.212 2.282 . 0 0 "[ . 1 . 2 ]" 1
1162 1 28 GLU HA 1 28 GLU HG3 4.000 . 5.000 2.884 2.008 3.686 . 0 0 "[ . 1 . 2 ]" 1
1163 1 16 VAL HA 1 16 VAL HB 3.000 . 3.500 3.036 3.020 3.045 . 0 0 "[ . 1 . 2 ]" 1
1164 1 16 VAL HA 1 16 VAL MG2 2.500 . 4.200 2.464 2.369 2.574 . 0 0 "[ . 1 . 2 ]" 1
1165 1 20 GLN HA 1 20 GLN QB 2.500 . 3.700 2.533 2.378 2.578 . 0 0 "[ . 1 . 2 ]" 1
1166 1 20 GLN HA 1 20 GLN QG 3.000 . 4.500 2.633 2.101 2.962 . 0 0 "[ . 1 . 2 ]" 1
1167 1 24 TYR HA 1 24 TYR QB 2.500 . 3.700 2.309 2.271 2.383 . 0 0 "[ . 1 . 2 ]" 1
1168 1 54 SER HA 1 54 SER HB2 3.000 . 3.500 2.957 2.906 3.003 . 0 0 "[ . 1 . 2 ]" 1
1169 1 41 LYS HE3 1 41 LYS HG3 4.000 . 5.000 3.412 2.034 3.970 . 0 0 "[ . 1 . 2 ]" 1
1170 1 82 GLU HB2 1 82 GLU HG2 3.000 . 3.500 2.928 2.427 3.044 . 0 0 "[ . 1 . 2 ]" 1
1171 1 60 PRO HB2 1 60 PRO HD3 4.000 . 5.000 4.022 3.983 4.059 . 0 0 "[ . 1 . 2 ]" 1
1172 1 85 GLN HB3 1 85 GLN QG 2.500 . 3.900 2.461 2.164 2.555 . 0 0 "[ . 1 . 2 ]" 1
1173 1 62 LEU HB3 1 62 LEU HG 3.000 . 3.500 3.037 3.016 3.046 . 0 0 "[ . 1 . 2 ]" 1
1174 1 85 GLN HB2 1 85 GLN QG 2.500 . 3.900 2.228 2.131 2.385 . 0 0 "[ . 1 . 2 ]" 1
1175 1 20 GLN HB3 1 20 GLN HG3 2.500 . 2.900 2.353 2.286 2.690 . 0 0 "[ . 1 . 2 ]" 1
1176 1 102 GLU HB3 1 102 GLU QG 2.500 . 3.900 2.325 2.135 2.555 . 0 0 "[ . 1 . 2 ]" 1
1177 1 86 LEU QB 1 86 LEU MD1 2.500 . 5.400 2.322 1.934 2.420 . 0 0 "[ . 1 . 2 ]" 1
1178 1 86 LEU QB 1 86 LEU MD2 2.500 . 5.400 2.195 1.988 2.355 . 0 0 "[ . 1 . 2 ]" 1
1179 1 86 LEU QB 1 86 LEU HG 2.500 . 3.900 2.203 2.177 2.565 . 0 0 "[ . 1 . 2 ]" 1
1180 1 90 ILE HB 1 90 ILE MD 3.000 . 5.000 2.713 2.410 3.155 . 0 0 "[ . 1 . 2 ]" 1
1181 1 26 LEU QB 1 26 LEU HG 2.500 . 3.900 2.254 2.181 2.477 . 0 0 "[ . 1 . 2 ]" 1
1182 1 67 VAL MG1 1 67 VAL MG2 2.500 . 5.900 2.067 2.014 2.081 . 0 0 "[ . 1 . 2 ]" 1
1183 1 61 ILE HB 1 61 ILE MD 3.000 . 5.000 2.466 2.287 2.537 . 0 0 "[ . 1 . 2 ]" 1
1184 1 61 ILE HG12 1 61 ILE MG 3.000 . 5.000 2.390 2.335 2.490 . 0 0 "[ . 1 . 2 ]" 1
1185 1 90 ILE MD 1 90 ILE MG 2.500 . 5.900 1.829 1.750 1.970 . 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 4
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 6 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 10 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 103 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 CYS SG 1 10 CYS SG 2.020 . 2.040 2.019 2.015 2.021 . 0 0 "[ . 1 . 2 ]" 2
2 1 6 CYS SG 1 103 CYS SG 2.020 . 2.040 2.020 2.017 2.025 . 0 0 "[ . 1 . 2 ]" 2
3 1 2 CYS CB 1 10 CYS SG 2.990 2.490 3.490 3.017 3.000 3.029 . 0 0 "[ . 1 . 2 ]" 2
4 1 6 CYS CB 1 103 CYS SG 2.990 2.490 3.490 3.030 3.008 3.099 . 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 6
_Distance_constraint_stats_list.Viol_count 24
_Distance_constraint_stats_list.Viol_total 103.922
_Distance_constraint_stats_list.Viol_max 0.225
_Distance_constraint_stats_list.Viol_rms 0.0684
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0301
_Distance_constraint_stats_list.Viol_average_violations_only 0.1804
_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 12 SER 4.330 0.225 17 0 "[ . 1 . 2 ]"
1 14 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 15 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 16 VAL 4.330 0.225 17 0 "[ . 1 . 2 ]"
1 17 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 18 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 20 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 26 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 29 ASP 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 15 ASP HA 1 18 THR H 4.000 . 5.000 3.310 2.954 3.591 . 0 0 "[ . 1 . 2 ]" 3
2 1 20 GLN HA 1 23 GLY H 4.000 . 5.000 3.755 3.428 4.263 . 0 0 "[ . 1 . 2 ]" 3
3 1 26 LEU HA 1 29 ASP H 4.000 . 5.000 3.330 3.044 3.647 . 0 0 "[ . 1 . 2 ]" 3
4 1 14 SER H 1 17 SER QB 4.000 . 6.000 5.141 4.807 5.425 . 0 0 "[ . 1 . 2 ]" 3
5 1 16 VAL H 1 19 ALA MB 4.000 . 6.500 5.015 4.750 5.220 . 0 0 "[ . 1 . 2 ]" 3
6 1 12 SER HA 1 16 VAL H 4.000 . 5.000 5.180 5.117 5.225 0.225 17 0 "[ . 1 . 2 ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 30
_Distance_constraint_stats_list.Viol_count 147
_Distance_constraint_stats_list.Viol_total 160.554
_Distance_constraint_stats_list.Viol_max 0.159
_Distance_constraint_stats_list.Viol_rms 0.0243
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0093
_Distance_constraint_stats_list.Viol_average_violations_only 0.0455
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 TYR 0.884 0.081 17 0 "[ . 1 . 2 ]"
1 11 TYR 0.884 0.081 17 0 "[ . 1 . 2 ]"
1 40 HIS 1.923 0.149 17 0 "[ . 1 . 2 ]"
1 42 TYR 0.230 0.072 17 0 "[ . 1 . 2 ]"
1 56 TYR 0.230 0.072 17 0 "[ . 1 . 2 ]"
1 57 TYR 0.648 0.066 8 0 "[ . 1 . 2 ]"
1 58 GLU 1.923 0.149 17 0 "[ . 1 . 2 ]"
1 75 ALA 1.784 0.137 9 0 "[ . 1 . 2 ]"
1 77 ARG 0.416 0.159 9 0 "[ . 1 . 2 ]"
1 80 PHE 0.648 0.066 8 0 "[ . 1 . 2 ]"
1 89 VAL 0.046 0.020 5 0 "[ . 1 . 2 ]"
1 90 ILE 0.416 0.159 9 0 "[ . 1 . 2 ]"
1 91 THR 0.759 0.094 6 0 "[ . 1 . 2 ]"
1 92 HIS 1.784 0.137 9 0 "[ . 1 . 2 ]"
1 101 VAL 0.759 0.094 6 0 "[ . 1 . 2 ]"
1 103 CYS 0.046 0.020 5 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 TYR N 1 11 TYR O 3.300 2.500 3.500 3.284 2.807 3.527 0.027 12 0 "[ . 1 . 2 ]" 4
2 1 4 TYR O 1 11 TYR N 3.300 2.500 3.500 3.157 2.945 3.352 . 0 0 "[ . 1 . 2 ]" 4
3 1 40 HIS N 1 58 GLU O 3.300 2.500 3.500 3.482 3.394 3.529 0.029 15 0 "[ . 1 . 2 ]" 4
4 1 40 HIS O 1 58 GLU N 3.300 2.500 3.500 2.833 2.689 3.033 . 0 0 "[ . 1 . 2 ]" 4
5 1 42 TYR N 1 56 TYR O 3.300 2.500 3.500 3.072 2.753 3.358 . 0 0 "[ . 1 . 2 ]" 4
6 1 42 TYR O 1 56 TYR N 3.300 2.500 4.500 3.778 3.224 4.245 . 0 0 "[ . 1 . 2 ]" 4
7 1 57 TYR N 1 80 PHE O 3.300 2.500 3.500 2.858 2.579 3.175 . 0 0 "[ . 1 . 2 ]" 4
8 1 57 TYR O 1 80 PHE N 3.300 2.500 3.500 3.300 3.103 3.412 . 0 0 "[ . 1 . 2 ]" 4
9 1 75 ALA N 1 92 HIS O 3.300 2.500 3.500 3.347 3.002 3.521 0.021 23 0 "[ . 1 . 2 ]" 4
10 1 75 ALA O 1 92 HIS N 3.300 2.500 3.500 2.946 2.495 3.528 0.028 13 0 "[ . 1 . 2 ]" 4
11 1 77 ARG N 1 90 ILE O 3.300 2.500 3.500 2.845 2.503 3.287 . 0 0 "[ . 1 . 2 ]" 4
12 1 77 ARG O 1 90 ILE N 3.300 2.500 3.500 3.024 2.579 3.499 . 0 0 "[ . 1 . 2 ]" 4
13 1 89 VAL O 1 103 CYS N 3.300 2.500 3.500 3.174 2.866 3.453 . 0 0 "[ . 1 . 2 ]" 4
14 1 91 THR N 1 101 VAL O 3.300 2.500 3.500 3.228 2.681 3.421 . 0 0 "[ . 1 . 2 ]" 4
15 1 91 THR O 1 101 VAL N 3.300 2.500 4.500 3.643 3.297 4.134 . 0 0 "[ . 1 . 2 ]" 4
16 1 4 TYR H 1 11 TYR O 2.300 . 2.500 2.450 2.087 2.581 0.081 17 0 "[ . 1 . 2 ]" 4
17 1 4 TYR O 1 11 TYR H 2.300 . 2.500 2.357 2.076 2.532 0.032 16 0 "[ . 1 . 2 ]" 4
18 1 40 HIS H 1 58 GLU O 2.300 . 2.500 2.574 2.478 2.649 0.149 17 0 "[ . 1 . 2 ]" 4
19 1 40 HIS O 1 58 GLU H 2.300 . 2.500 2.089 2.023 2.435 . 0 0 "[ . 1 . 2 ]" 4
20 1 42 TYR H 1 56 TYR O 2.300 . 2.500 2.264 2.074 2.572 0.072 17 0 "[ . 1 . 2 ]" 4
21 1 42 TYR O 1 56 TYR H 2.300 . 3.500 3.075 2.527 3.563 0.063 18 0 "[ . 1 . 2 ]" 4
22 1 57 TYR H 1 80 PHE O 2.300 . 2.500 2.360 2.035 2.510 0.010 10 0 "[ . 1 . 2 ]" 4
23 1 57 TYR O 1 80 PHE H 2.300 . 2.500 2.509 2.345 2.566 0.066 8 0 "[ . 1 . 2 ]" 4
24 1 75 ALA H 1 92 HIS O 2.300 . 2.500 2.538 2.208 2.637 0.137 9 0 "[ . 1 . 2 ]" 4
25 1 75 ALA O 1 92 HIS H 2.300 . 2.500 2.176 2.022 2.574 0.074 13 0 "[ . 1 . 2 ]" 4
26 1 77 ARG H 1 90 ILE O 2.300 . 2.500 2.158 2.029 2.504 0.004 1 0 "[ . 1 . 2 ]" 4
27 1 77 ARG O 1 90 ILE H 2.300 . 2.500 2.319 2.047 2.659 0.159 9 0 "[ . 1 . 2 ]" 4
28 1 89 VAL O 1 103 CYS H 2.300 . 2.500 2.318 2.063 2.520 0.020 5 0 "[ . 1 . 2 ]" 4
29 1 91 THR H 1 101 VAL O 2.300 . 2.500 2.472 2.087 2.594 0.094 6 0 "[ . 1 . 2 ]" 4
30 1 91 THR O 1 101 VAL H 2.300 . 3.500 2.938 2.488 3.472 . 0 0 "[ . 1 . 2 ]" 4
stop_
save_
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