NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
491593 |
2jsn   |
15370 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jsn
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 1036
_Distance_constraint_stats_list.Viol_count 8
_Distance_constraint_stats_list.Viol_total 9.418
_Distance_constraint_stats_list.Viol_max 0.125
_Distance_constraint_stats_list.Viol_rms 0.0014
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0589
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ALA 0.294 0.125 9 0 "[ . 1 . 2]"
1 14 PRO 0.294 0.125 9 0 "[ . 1 . 2]"
1 15 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LEU 0.128 0.062 4 0 "[ . 1 . 2]"
1 33 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ASN 0.049 0.049 18 0 "[ . 1 . 2]"
1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ARG 0.128 0.062 4 0 "[ . 1 . 2]"
1 65 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 VAL 0.049 0.049 18 0 "[ . 1 . 2]"
1 85 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 66 THR HB 1 67 ALA H 3.500 . 4.000 2.225 2.148 2.383 . 0 0 "[ . 1 . 2]" 1
2 1 66 THR HB 1 68 ASP H . . 4.000 2.607 2.505 2.670 . 0 0 "[ . 1 . 2]" 1
3 1 66 THR HB 1 67 ALA MB 4.200 . 4.700 3.555 3.521 3.581 . 0 0 "[ . 1 . 2]" 1
4 1 94 THR HB 1 95 SER H 4.500 . 5.000 3.673 2.635 4.505 . 0 0 "[ . 1 . 2]" 1
5 1 72 VAL HA 1 75 TYR H 4.500 . 5.000 3.396 3.135 3.527 . 0 0 "[ . 1 . 2]" 1
6 1 72 VAL HA 1 75 TYR QB 3.930 . 4.430 2.287 2.112 2.454 . 0 0 "[ . 1 . 2]" 1
7 1 23 SER QB 1 24 TYR H 2.810 . 3.310 2.309 2.213 2.524 . 0 0 "[ . 1 . 2]" 1
8 1 79 PRO HA 1 82 TYR QD 5.050 . 5.550 2.527 2.056 3.771 . 0 0 "[ . 1 . 2]" 1
9 1 24 TYR QE 1 79 PRO HA 4.720 . 5.220 3.346 2.564 3.529 . 0 0 "[ . 1 . 2]" 1
10 1 24 TYR QD 1 79 PRO HA 6.170 . 6.670 4.851 4.279 5.364 . 0 0 "[ . 1 . 2]" 1
11 1 49 VAL HA 1 50 GLY H 2.500 . 3.000 2.305 2.166 2.526 . 0 0 "[ . 1 . 2]" 1
12 1 39 VAL HB 1 49 VAL HA 4.200 . 4.700 2.660 2.232 3.402 . 0 0 "[ . 1 . 2]" 1
13 1 39 VAL QG 1 49 VAL HA 4.720 . 5.220 2.456 2.085 3.524 . 0 0 "[ . 1 . 2]" 1
14 1 57 ASN H 1 85 SER QB . . 4.910 3.171 2.950 3.374 . 0 0 "[ . 1 . 2]" 1
15 1 85 SER QB 1 86 ILE H 5.050 . 5.550 3.047 2.929 3.167 . 0 0 "[ . 1 . 2]" 1
16 1 57 ASN HA 1 85 SER QB 3.930 . 4.430 2.664 2.329 2.999 . 0 0 "[ . 1 . 2]" 1
17 1 56 ILE MG 1 85 SER QB 6.810 . 7.310 4.446 4.166 4.529 . 0 0 "[ . 1 . 2]" 1
18 1 53 VAL HA 1 54 LEU H 2.500 . 3.000 2.229 2.122 2.323 . 0 0 "[ . 1 . 2]" 1
19 1 53 VAL HA 1 88 PHE HA . . 4.000 2.465 2.184 2.785 . 0 0 "[ . 1 . 2]" 1
20 1 39 VAL HA 1 40 ALA H 3.500 . 4.000 2.171 2.122 2.292 . 0 0 "[ . 1 . 2]" 1
21 1 11 SER H 1 11 SER QB 3.150 . 3.650 2.368 2.110 2.647 . 0 0 "[ . 1 . 2]" 1
22 1 14 PRO HA 1 15 ARG H 4.410 . 4.910 2.332 2.010 3.119 . 0 0 "[ . 1 . 2]" 1
23 1 30 LEU QB 1 37 VAL HA 7.750 . 8.250 3.095 2.957 3.294 . 0 0 "[ . 1 . 2]" 1
24 1 52 ALA MB 1 91 PRO HA 4.200 . 4.700 2.438 2.004 3.518 . 0 0 "[ . 1 . 2]" 1
25 1 31 LYS H 1 37 VAL HA 3.930 . 4.430 3.113 2.780 3.338 . 0 0 "[ . 1 . 2]" 1
26 1 37 VAL HA 1 38 LEU H 2.500 . 3.000 2.159 2.094 2.215 . 0 0 "[ . 1 . 2]" 1
27 1 32 LEU HA 1 37 VAL HA 5.500 . 6.000 2.368 2.160 2.508 . 0 0 "[ . 1 . 2]" 1
28 1 75 TYR HA 1 81 ASN QD 5.050 . 5.550 3.434 2.800 3.743 . 0 0 "[ . 1 . 2]" 1
29 1 75 TYR HA 1 75 TYR QD 3.930 . 4.430 2.571 2.320 2.870 . 0 0 "[ . 1 . 2]" 1
30 1 74 GLU QB 1 75 TYR HA 6.070 . 6.570 3.510 3.324 3.888 . 0 0 "[ . 1 . 2]" 1
31 1 72 VAL QG 1 75 TYR HA 8.900 . 9.400 4.854 4.700 5.071 . 0 0 "[ . 1 . 2]" 1
32 1 24 TYR HA 1 25 PRO HA 3.500 . 4.000 2.655 2.271 3.507 . 0 0 "[ . 1 . 2]" 1
33 1 94 THR HA 1 95 SER H 3.500 . 4.000 2.966 2.144 3.576 . 0 0 "[ . 1 . 2]" 1
34 1 66 THR HA 1 67 ALA H 3.500 . 4.000 2.483 2.371 2.546 . 0 0 "[ . 1 . 2]" 1
35 1 62 ASN H 1 66 THR HA 4.500 . 5.000 3.369 3.056 3.633 . 0 0 "[ . 1 . 2]" 1
36 1 66 THR HA 1 67 ALA MB 5.400 . 5.900 4.202 4.123 4.251 . 0 0 "[ . 1 . 2]" 1
37 1 61 VAL HA 1 66 THR HA 3.500 . 4.000 2.535 2.288 2.897 . 0 0 "[ . 1 . 2]" 1
38 1 61 VAL HA 1 62 ASN H 2.500 . 3.000 2.121 2.027 2.229 . 0 0 "[ . 1 . 2]" 1
39 1 56 ILE HA 1 57 ASN H 2.500 . 3.000 2.202 2.158 2.248 . 0 0 "[ . 1 . 2]" 1
40 1 56 ILE HA 1 56 ILE MG 3.270 . 3.770 2.315 2.265 2.463 . 0 0 "[ . 1 . 2]" 1
41 1 41 PHE HA 1 41 PHE QD 3.930 . 4.430 2.785 2.385 3.074 . 0 0 "[ . 1 . 2]" 1
42 1 41 PHE H 1 41 PHE HA 2.810 . 3.310 2.224 2.090 2.389 . 0 0 "[ . 1 . 2]" 1
43 1 41 PHE HA 1 49 VAL QG 3.780 . 4.280 2.249 2.075 2.596 . 0 0 "[ . 1 . 2]" 1
44 1 74 GLU HA 1 75 TYR H 4.500 . 5.000 3.584 3.570 3.601 . 0 0 "[ . 1 . 2]" 1
45 1 74 GLU HA 1 77 GLY H . . 4.000 3.376 3.186 3.521 . 0 0 "[ . 1 . 2]" 1
46 1 71 GLU QB 1 74 GLU HA 6.930 . 7.430 4.687 4.444 5.024 . 0 0 "[ . 1 . 2]" 1
47 1 11 SER HA 1 12 TYR QB 6.170 . 6.670 4.727 4.271 5.520 . 0 0 "[ . 1 . 2]" 1
48 1 73 LEU HA 1 73 LEU HG 4.200 . 4.700 2.737 2.489 2.870 . 0 0 "[ . 1 . 2]" 1
49 1 72 VAL QG 1 73 LEU HA 4.050 . 4.550 2.100 2.062 2.138 . 0 0 "[ . 1 . 2]" 1
50 1 95 SER HA 1 96 ASN H 3.500 . 4.000 2.916 2.184 3.549 . 0 0 "[ . 1 . 2]" 1
51 1 71 GLU HA 1 72 VAL H 2.500 . 3.000 2.177 2.151 2.224 . 0 0 "[ . 1 . 2]" 1
52 1 65 TYR HA 1 71 GLU HA 3.500 . 4.000 2.400 2.231 2.701 . 0 0 "[ . 1 . 2]" 1
53 1 70 LYS QB 1 71 GLU HA 5.400 . 5.900 4.024 3.895 4.326 . 0 0 "[ . 1 . 2]" 1
54 1 32 LEU QD 1 71 GLU HA 5.810 . 6.310 3.437 3.144 3.635 . 0 0 "[ . 1 . 2]" 1
55 1 12 TYR HA 1 13 ALA H 3.500 . 4.000 2.843 2.115 3.567 . 0 0 "[ . 1 . 2]" 1
56 1 65 TYR QD 1 71 GLU HA 3.930 . 4.430 2.450 2.128 3.294 . 0 0 "[ . 1 . 2]" 1
57 1 35 GLU H 1 35 GLU HA 2.500 . 3.000 2.222 2.194 2.248 . 0 0 "[ . 1 . 2]" 1
58 1 35 GLU HA 1 36 ARG H . . 4.000 3.097 2.879 3.330 . 0 0 "[ . 1 . 2]" 1
59 1 32 LEU QD 1 35 GLU HA 4.720 . 5.220 2.264 2.095 2.491 . 0 0 "[ . 1 . 2]" 1
60 1 51 HIS HA 1 52 ALA H 3.500 . 4.000 2.363 2.180 2.567 . 0 0 "[ . 1 . 2]" 1
61 1 82 TYR HA 1 84 VAL QG 4.720 . 5.220 3.434 3.061 3.530 . 0 0 "[ . 1 . 2]" 1
62 1 33 HIS HA 1 34 ASP H 2.500 . 3.000 2.244 2.166 2.306 . 0 0 "[ . 1 . 2]" 1
63 1 7 HIS HA 1 8 HIS H 2.500 . 3.000 2.391 2.182 2.562 . 0 0 "[ . 1 . 2]" 1
64 1 60 ASP HA 1 61 VAL H 2.500 . 3.000 2.263 2.172 2.315 . 0 0 "[ . 1 . 2]" 1
65 1 8 HIS HA 1 9 LEU H 3.500 . 4.000 2.746 2.137 3.570 . 0 0 "[ . 1 . 2]" 1
66 1 34 ASP H 1 34 ASP HA 2.500 . 3.000 2.253 2.244 2.261 . 0 0 "[ . 1 . 2]" 1
67 1 33 HIS HA 1 34 ASP HA 4.500 . 5.000 4.388 4.356 4.440 . 0 0 "[ . 1 . 2]" 1
68 1 34 ASP HA 1 35 GLU QB 5.670 . 6.170 3.441 3.257 3.619 . 0 0 "[ . 1 . 2]" 1
69 1 55 ALA MB 1 60 ASP HA 3.000 . 3.500 2.250 2.147 2.446 . 0 0 "[ . 1 . 2]" 1
70 1 34 ASP HA 1 35 GLU HA 6.170 . 6.670 4.534 4.339 4.664 . 0 0 "[ . 1 . 2]" 1
71 1 37 VAL QG 1 64 ARG HA 5.940 . 6.440 2.096 1.939 2.254 . 0 0 "[ . 1 . 2]" 1
72 1 54 LEU HA 1 54 LEU QD 4.050 . 4.550 2.053 1.892 2.380 . 0 0 "[ . 1 . 2]" 1
73 1 93 LEU HA 1 94 THR H 3.500 . 4.000 2.845 1.982 3.577 . 0 0 "[ . 1 . 2]" 1
74 1 75 TYR QD 1 76 LEU HA 5.050 . 5.550 3.965 3.277 4.477 . 0 0 "[ . 1 . 2]" 1
75 1 24 TYR QE 1 76 LEU HA 4.410 . 4.910 2.903 2.672 3.538 . 0 0 "[ . 1 . 2]" 1
76 1 9 LEU HA 1 10 ASP H 2.500 . 3.000 2.319 2.121 2.540 . 0 0 "[ . 1 . 2]" 1
77 1 67 ALA HA 1 68 ASP H 3.500 . 4.000 3.561 3.557 3.565 . 0 0 "[ . 1 . 2]" 1
78 1 70 LYS HA 1 71 GLU H 2.500 . 3.000 2.311 2.210 2.363 . 0 0 "[ . 1 . 2]" 1
79 1 69 GLY H 1 70 LYS HA 5.500 . 6.000 4.862 4.813 4.963 . 0 0 "[ . 1 . 2]" 1
80 1 29 LEU HA 1 30 LEU H 3.150 . 3.650 2.074 2.017 2.144 . 0 0 "[ . 1 . 2]" 1
81 1 29 LEU HA 1 30 LEU HA 5.050 . 5.550 4.024 3.942 4.061 . 0 0 "[ . 1 . 2]" 1
82 1 31 LYS HA 1 73 LEU QD 6.070 . 6.570 2.605 2.320 3.676 . 0 0 "[ . 1 . 2]" 1
83 1 10 ASP HA 1 11 SER H 3.500 . 4.000 3.050 2.080 3.549 . 0 0 "[ . 1 . 2]" 1
84 1 57 ASN HA 1 58 GLY H 3.500 . 4.000 2.885 2.738 2.982 . 0 0 "[ . 1 . 2]" 1
85 1 32 LEU QD 1 36 ARG HA 6.960 . 7.460 3.108 2.952 3.304 . 0 0 "[ . 1 . 2]" 1
86 1 36 ARG HA 1 37 VAL H 3.500 . 4.000 2.492 2.229 2.806 . 0 0 "[ . 1 . 2]" 1
87 1 51 HIS HD2 1 90 ARG HA 4.500 . 5.000 3.204 2.454 4.065 . 0 0 "[ . 1 . 2]" 1
88 1 57 ASN H 1 57 ASN HA 2.500 . 3.000 2.250 2.218 2.263 . 0 0 "[ . 1 . 2]" 1
89 1 80 ALA HA 1 81 ASN H 3.500 . 4.000 3.435 3.329 3.482 . 0 0 "[ . 1 . 2]" 1
90 1 80 ALA HA 1 82 TYR H 5.400 . 5.900 4.045 3.665 4.240 . 0 0 "[ . 1 . 2]" 1
91 1 79 PRO QB 1 80 ALA HA 6.170 . 6.670 4.427 3.920 4.515 . 0 0 "[ . 1 . 2]" 1
92 1 81 ASN HA 1 82 TYR H 3.500 . 4.000 2.974 2.741 3.160 . 0 0 "[ . 1 . 2]" 1
93 1 40 ALA HA 1 41 PHE H . . 4.000 3.554 3.535 3.578 . 0 0 "[ . 1 . 2]" 1
94 1 14 PRO QB 1 16 ALA HA 6.070 . 6.570 3.981 3.635 4.384 . 0 0 "[ . 1 . 2]" 1
95 1 40 ALA HA 1 49 VAL QG . . 5.220 3.353 2.843 3.549 . 0 0 "[ . 1 . 2]" 1
96 1 79 PRO QD 1 80 ALA H . . 4.430 2.884 2.808 2.970 . 0 0 "[ . 1 . 2]" 1
97 1 78 ASN HA 1 79 PRO QD 2.810 . 3.310 2.120 2.082 2.149 . 0 0 "[ . 1 . 2]" 1
98 1 13 ALA HA 1 14 PRO QD 4.410 . 4.910 2.566 1.998 3.685 . 0 0 "[ . 1 . 2]" 1
99 1 13 ALA MB 1 14 PRO QD . . 4.280 2.348 2.090 2.809 . 0 0 "[ . 1 . 2]" 1
100 1 63 GLY QA 1 64 ARG H . . 3.310 2.335 2.154 2.515 . 0 0 "[ . 1 . 2]" 1
101 1 69 GLY QA 1 70 LYS H . . 4.430 2.989 2.958 3.030 . 0 0 "[ . 1 . 2]" 1
102 1 54 LEU QD 1 89 GLY QA 5.300 . 5.800 2.414 1.996 2.916 . 0 0 "[ . 1 . 2]" 1
103 1 58 GLY QA 1 59 MET H 5.050 . 5.550 2.982 2.926 2.999 . 0 0 "[ . 1 . 2]" 1
104 1 77 GLY QA 1 78 ASN H . . 4.430 2.834 2.763 3.002 . 0 0 "[ . 1 . 2]" 1
105 1 38 LEU QD 1 50 GLY QA . . 6.440 2.574 2.226 3.436 . 0 0 "[ . 1 . 2]" 1
106 1 64 ARG QB 1 64 ARG QD 3.150 . 3.650 2.201 2.098 2.333 . 0 0 "[ . 1 . 2]" 1
107 1 64 ARG QD 1 65 TYR QE 5.670 . 6.170 3.149 2.644 3.993 . 0 0 "[ . 1 . 2]" 1
108 1 64 ARG QD 1 71 GLU QG 6.930 . 7.430 3.827 2.400 4.997 . 0 0 "[ . 1 . 2]" 1
109 1 32 LEU QD 1 64 ARG QD 6.020 . 6.520 2.039 1.738 2.439 0.062 4 0 "[ . 1 . 2]" 1
110 1 39 VAL QG 1 88 PHE QB 8.580 . 9.080 3.017 2.268 3.773 . 0 0 "[ . 1 . 2]" 1
111 1 51 HIS HD2 1 88 PHE QB 6.170 . 6.670 4.682 3.083 5.545 . 0 0 "[ . 1 . 2]" 1
112 1 30 LEU QB 1 37 VAL QG 5.940 . 6.440 2.069 1.863 2.537 . 0 0 "[ . 1 . 2]" 1
113 1 90 ARG H 1 90 ARG QD 5.050 . 5.550 2.603 1.839 3.459 . 0 0 "[ . 1 . 2]" 1
114 1 35 GLU H 1 36 ARG QD 6.930 . 7.430 4.508 3.327 5.259 . 0 0 "[ . 1 . 2]" 1
115 1 36 ARG H 1 36 ARG QD 5.050 . 5.550 4.140 2.782 4.575 . 0 0 "[ . 1 . 2]" 1
116 1 51 HIS HD2 1 90 ARG QD 3.930 . 4.430 2.956 2.270 3.567 . 0 0 "[ . 1 . 2]" 1
117 1 36 ARG QD 1 63 GLY QA 5.670 . 6.170 3.008 2.037 3.871 . 0 0 "[ . 1 . 2]" 1
118 1 22 PHE QB 1 84 VAL QG 7.280 . 7.780 2.254 2.055 2.533 . 0 0 "[ . 1 . 2]" 1
119 1 29 LEU QB 1 41 PHE QB 4.410 . 4.910 2.334 2.102 2.878 . 0 0 "[ . 1 . 2]" 1
120 1 29 LEU QB 1 30 LEU H 5.050 . 5.550 3.459 2.524 3.928 . 0 0 "[ . 1 . 2]" 1
121 1 29 LEU QB 1 40 ALA MB 4.720 . 5.220 2.613 2.117 3.367 . 0 0 "[ . 1 . 2]" 1
122 1 29 LEU QB 1 30 LEU H 3.540 . 4.040 2.190 2.081 2.282 . 0 0 "[ . 1 . 2]" 1
123 1 29 LEU QB 1 41 PHE H . . 4.430 2.903 2.690 3.507 . 0 0 "[ . 1 . 2]" 1
124 1 70 LYS H 1 70 LYS QE 6.070 . 6.570 4.348 4.052 4.562 . 0 0 "[ . 1 . 2]" 1
125 1 22 PHE QB 1 86 ILE QG 5.670 . 6.170 3.213 2.780 4.262 . 0 0 "[ . 1 . 2]" 1
126 1 65 TYR QB 1 66 THR H . . 4.430 2.859 2.689 3.113 . 0 0 "[ . 1 . 2]" 1
127 1 70 LYS QE 1 75 TYR QD 5.670 . 6.170 3.775 2.720 4.549 . 0 0 "[ . 1 . 2]" 1
128 1 70 LYS QE 1 75 TYR QE 7.780 . 8.280 4.042 3.658 5.057 . 0 0 "[ . 1 . 2]" 1
129 1 70 LYS HA 1 70 LYS QE 5.050 . 5.550 4.004 2.452 4.453 . 0 0 "[ . 1 . 2]" 1
130 1 70 LYS QE 1 70 LYS QG 3.150 . 3.650 2.235 2.106 2.507 . 0 0 "[ . 1 . 2]" 1
131 1 31 LYS QE 1 38 LEU QD 3.780 . 4.280 2.457 2.180 2.516 . 0 0 "[ . 1 . 2]" 1
132 1 31 LYS QE 1 37 VAL HA 6.170 . 6.670 5.384 5.024 5.547 . 0 0 "[ . 1 . 2]" 1
133 1 41 PHE QB 1 49 VAL QG 5.940 . 6.440 3.797 3.490 3.928 . 0 0 "[ . 1 . 2]" 1
134 1 93 LEU QB 1 94 THR H 3.930 . 4.430 2.930 2.267 3.644 . 0 0 "[ . 1 . 2]" 1
135 1 9 LEU H 1 9 LEU QB 2.810 . 3.310 2.355 2.154 2.570 . 0 0 "[ . 1 . 2]" 1
136 1 31 LYS HA 1 31 LYS QE 5.670 . 6.170 4.426 4.299 4.526 . 0 0 "[ . 1 . 2]" 1
137 1 31 LYS QE 1 40 ALA HA 5.050 . 5.550 3.654 3.337 4.277 . 0 0 "[ . 1 . 2]" 1
138 1 10 ASP H 1 10 ASP QB 2.810 . 3.310 2.365 2.138 2.587 . 0 0 "[ . 1 . 2]" 1
139 1 10 ASP QB 1 11 SER H 5.670 . 6.170 3.216 2.657 4.048 . 0 0 "[ . 1 . 2]" 1
140 1 56 ILE H 1 56 ILE HB 3.500 . 4.000 2.820 2.743 2.893 . 0 0 "[ . 1 . 2]" 1
141 1 60 ASP H 1 60 ASP QB . . 3.310 2.181 2.155 2.230 . 0 0 "[ . 1 . 2]" 1
142 1 60 ASP QB 1 61 VAL H 5.050 . 5.550 3.802 3.659 3.906 . 0 0 "[ . 1 . 2]" 1
143 1 60 ASP QB 1 67 ALA MB 6.070 . 6.570 3.650 2.639 4.492 . 0 0 "[ . 1 . 2]" 1
144 1 78 ASN QB 1 81 ASN QD 4.410 . 4.910 3.252 2.417 3.509 . 0 0 "[ . 1 . 2]" 1
145 1 75 TYR H 1 75 TYR QB . . 3.310 2.178 2.155 2.238 . 0 0 "[ . 1 . 2]" 1
146 1 70 LYS QB 1 75 TYR QB 5.670 . 6.170 2.207 2.111 2.338 . 0 0 "[ . 1 . 2]" 1
147 1 75 TYR QB 1 76 LEU H . . 4.430 2.464 2.390 2.539 . 0 0 "[ . 1 . 2]" 1
148 1 66 THR MG 1 75 TYR QB 6.170 . 6.670 2.791 2.481 3.152 . 0 0 "[ . 1 . 2]" 1
149 1 34 ASP QB 1 35 GLU H 6.360 . 6.860 3.581 3.520 3.610 . 0 0 "[ . 1 . 2]" 1
150 1 62 ASN QB 1 63 GLY H 5.050 . 5.550 4.051 3.960 4.077 . 0 0 "[ . 1 . 2]" 1
151 1 34 ASP QB 1 35 GLU H 5.050 . 5.550 3.994 3.948 4.032 . 0 0 "[ . 1 . 2]" 1
152 1 12 TYR QB 1 13 ALA H 5.050 . 5.550 3.054 2.158 3.953 . 0 0 "[ . 1 . 2]" 1
153 1 65 TYR QE 1 71 GLU QG 4.410 . 4.910 3.229 2.260 3.520 . 0 0 "[ . 1 . 2]" 1
154 1 31 LYS QB 1 32 LEU H 3.930 . 4.430 2.637 2.432 2.848 . 0 0 "[ . 1 . 2]" 1
155 1 35 GLU H 1 35 GLU QG . . 4.430 2.846 2.592 3.490 . 0 0 "[ . 1 . 2]" 1
156 1 17 GLU H 1 17 GLU QG 3.930 . 4.430 2.772 2.127 3.511 . 0 0 "[ . 1 . 2]" 1
157 1 34 ASP QB 1 35 GLU QG . . 7.430 5.118 4.554 5.461 . 0 0 "[ . 1 . 2]" 1
158 1 16 ALA MB 1 17 GLU QG . . 6.570 3.710 2.628 4.513 . 0 0 "[ . 1 . 2]" 1
159 1 84 VAL HB 1 85 SER H 3.500 . 4.000 2.461 2.182 3.303 . 0 0 "[ . 1 . 2]" 1
160 1 59 MET QB 1 67 ALA MB . . 3.870 2.293 2.133 2.523 . 0 0 "[ . 1 . 2]" 1
161 1 59 MET QB 1 60 ASP H 3.930 . 4.430 3.440 3.053 3.554 . 0 0 "[ . 1 . 2]" 1
162 1 36 ARG QB 1 38 LEU QD . . 5.270 2.437 2.000 3.158 . 0 0 "[ . 1 . 2]" 1
163 1 43 GLN QG 1 49 VAL QG . . 7.310 3.409 2.139 4.519 . 0 0 "[ . 1 . 2]" 1
164 1 70 LYS QB 1 71 GLU H 5.050 . 5.550 3.067 2.807 3.225 . 0 0 "[ . 1 . 2]" 1
165 1 31 LYS QD 1 33 HIS QB . . 6.570 2.544 2.087 3.765 . 0 0 "[ . 1 . 2]" 1
166 1 33 HIS QB 1 38 LEU QD 5.300 . 5.800 2.293 2.062 2.874 . 0 0 "[ . 1 . 2]" 1
167 1 14 PRO QB 1 15 ARG H 4.950 . 5.450 2.916 2.374 3.391 . 0 0 "[ . 1 . 2]" 1
168 1 39 VAL HB 1 49 VAL HA 4.200 . 4.700 2.479 2.201 2.950 . 0 0 "[ . 1 . 2]" 1
169 1 53 VAL HB 1 54 LEU H 4.410 . 4.910 2.959 2.620 3.460 . 0 0 "[ . 1 . 2]" 1
170 1 72 VAL HB 1 73 LEU H 4.500 . 5.000 3.086 2.800 3.980 . 0 0 "[ . 1 . 2]" 1
171 1 59 MET H 1 59 MET QG . . 4.430 2.620 2.356 2.937 . 0 0 "[ . 1 . 2]" 1
172 1 59 MET QG 1 67 ALA MB 6.070 . 6.570 3.024 2.425 3.756 . 0 0 "[ . 1 . 2]" 1
173 1 39 VAL H 1 39 VAL HB 3.500 . 4.000 2.441 2.348 2.586 . 0 0 "[ . 1 . 2]" 1
174 1 91 PRO QB 1 92 ARG H 4.950 . 5.450 2.775 2.086 3.529 . 0 0 "[ . 1 . 2]" 1
175 1 32 LEU QD 1 64 ARG QB 6.960 . 7.460 1.934 1.813 2.143 . 0 0 "[ . 1 . 2]" 1
176 1 79 PRO QB 1 80 ALA H 5.050 . 5.550 3.676 3.380 3.750 . 0 0 "[ . 1 . 2]" 1
177 1 74 GLU QB 1 75 TYR H 3.930 . 4.430 2.579 2.488 2.680 . 0 0 "[ . 1 . 2]" 1
178 1 71 GLU H 1 71 GLU QB . . 3.310 2.305 2.237 2.425 . 0 0 "[ . 1 . 2]" 1
179 1 31 LYS QD 1 38 LEU QD 5.940 . 6.440 3.415 2.463 3.753 . 0 0 "[ . 1 . 2]" 1
180 1 70 LYS H 1 70 LYS QD 5.050 . 5.550 3.499 2.344 3.982 . 0 0 "[ . 1 . 2]" 1
181 1 70 LYS QD 1 75 TYR QD 5.670 . 6.170 3.375 2.808 3.928 . 0 0 "[ . 1 . 2]" 1
182 1 70 LYS HA 1 70 LYS QD 2.810 . 3.310 2.332 2.229 2.506 . 0 0 "[ . 1 . 2]" 1
183 1 14 PRO QG 1 15 ARG H 7.780 . 8.280 3.635 2.586 4.104 . 0 0 "[ . 1 . 2]" 1
184 1 83 PRO QG 1 84 VAL QG 6.810 . 7.310 4.240 4.024 4.415 . 0 0 "[ . 1 . 2]" 1
185 1 56 ILE QG 1 86 ILE MG 4.720 . 5.220 2.249 2.131 2.588 . 0 0 "[ . 1 . 2]" 1
186 1 52 ALA MB 1 91 PRO QG 7.410 . 7.910 2.964 2.298 4.342 . 0 0 "[ . 1 . 2]" 1
187 1 73 LEU H 1 73 LEU HG 3.500 . 4.000 2.388 2.212 2.701 . 0 0 "[ . 1 . 2]" 1
188 1 31 LYS QE 1 38 LEU HG 5.670 . 6.170 3.142 2.300 4.246 . 0 0 "[ . 1 . 2]" 1
189 1 38 LEU HG 1 39 VAL H 5.500 . 6.000 4.612 3.474 5.247 . 0 0 "[ . 1 . 2]" 1
190 1 38 LEU HG 1 50 GLY QA 6.170 . 6.670 4.396 3.187 5.448 . 0 0 "[ . 1 . 2]" 1
191 1 38 LEU HG 1 39 VAL HA 7.000 . 7.500 6.727 6.125 7.024 . 0 0 "[ . 1 . 2]" 1
192 1 90 ARG H 1 90 ARG QG 3.930 . 4.430 2.892 2.163 3.527 . 0 0 "[ . 1 . 2]" 1
193 1 76 LEU H 1 76 LEU QD 4.720 . 5.220 3.222 3.194 3.259 . 0 0 "[ . 1 . 2]" 1
194 1 75 TYR QD 1 76 LEU QD 6.810 . 7.310 3.001 2.436 3.602 . 0 0 "[ . 1 . 2]" 1
195 1 76 LEU QD 1 86 ILE MG 5.670 . 6.170 3.431 3.119 3.516 . 0 0 "[ . 1 . 2]" 1
196 1 38 LEU HA 1 38 LEU QD . . 3.870 2.355 2.199 2.528 . 0 0 "[ . 1 . 2]" 1
197 1 37 VAL HA 1 38 LEU QD 8.320 . 8.820 3.359 2.736 3.881 . 0 0 "[ . 1 . 2]" 1
198 1 31 LYS QE 1 38 LEU QD 5.940 . 6.440 2.092 1.972 2.356 . 0 0 "[ . 1 . 2]" 1
199 1 79 PRO QG 1 80 ALA H 3.930 . 4.430 2.949 2.536 3.101 . 0 0 "[ . 1 . 2]" 1
200 1 78 ASN HA 1 79 PRO QG 6.170 . 6.670 4.051 4.010 4.082 . 0 0 "[ . 1 . 2]" 1
201 1 73 LEU H 1 73 LEU QD 4.720 . 5.220 3.137 2.994 3.312 . 0 0 "[ . 1 . 2]" 1
202 1 73 LEU HA 1 73 LEU QD . . 3.870 2.124 2.073 2.163 . 0 0 "[ . 1 . 2]" 1
203 1 32 LEU HA 1 38 LEU QD 8.320 . 8.820 3.449 3.140 3.779 . 0 0 "[ . 1 . 2]" 1
204 1 38 LEU QD 1 50 GLY QA 6.810 . 7.310 2.764 2.241 3.817 . 0 0 "[ . 1 . 2]" 1
205 1 36 ARG QD 1 38 LEU QD 10.590 . 11.090 3.835 2.562 5.294 . 0 0 "[ . 1 . 2]" 1
206 1 32 LEU H 1 73 LEU QD . . 5.220 2.635 2.274 3.504 . 0 0 "[ . 1 . 2]" 1
207 1 32 LEU QD 1 64 ARG HE . . 6.570 2.844 2.348 3.776 . 0 0 "[ . 1 . 2]" 1
208 1 32 LEU QD 1 65 TYR QE 6.810 . 7.310 4.533 4.510 4.563 . 0 0 "[ . 1 . 2]" 1
209 1 32 LEU QD 1 37 VAL HA 6.070 . 6.570 3.695 3.215 4.238 . 0 0 "[ . 1 . 2]" 1
210 1 32 LEU QD 1 64 ARG QD 5.300 . 5.800 2.069 1.740 2.447 0.060 4 0 "[ . 1 . 2]" 1
211 1 32 LEU QD 1 35 GLU QB 7.640 . 8.140 3.421 3.043 3.722 . 0 0 "[ . 1 . 2]" 1
212 1 70 LYS H 1 70 LYS QG . . 4.430 2.345 2.079 3.585 . 0 0 "[ . 1 . 2]" 1
213 1 66 THR MG 1 70 LYS QG 7.410 . 7.910 3.580 3.356 4.382 . 0 0 "[ . 1 . 2]" 1
214 1 32 LEU QD 1 33 HIS H . . 4.280 2.348 2.178 2.568 . 0 0 "[ . 1 . 2]" 1
215 1 32 LEU QD 1 35 GLU H . . 5.220 2.911 2.492 3.334 . 0 0 "[ . 1 . 2]" 1
216 1 9 LEU QD 1 10 ASP H . . 5.800 2.913 1.987 3.973 . 0 0 "[ . 1 . 2]" 1
217 1 32 LEU HA 1 37 VAL QG 6.070 . 6.570 2.598 2.064 3.426 . 0 0 "[ . 1 . 2]" 1
218 1 32 LEU QD 1 36 ARG H 6.070 . 6.570 2.865 2.494 3.458 . 0 0 "[ . 1 . 2]" 1
219 1 61 VAL H 1 72 VAL QG 7.410 . 7.910 5.194 5.010 5.405 . 0 0 "[ . 1 . 2]" 1
220 1 38 LEU HA 1 38 LEU QD 3.780 . 4.280 2.065 1.907 2.434 . 0 0 "[ . 1 . 2]" 1
221 1 66 THR H 1 72 VAL QG 6.070 . 6.570 3.168 2.907 3.526 . 0 0 "[ . 1 . 2]" 1
222 1 72 VAL H 1 72 VAL QG 3.370 . 3.870 2.155 1.835 2.299 . 0 0 "[ . 1 . 2]" 1
223 1 65 TYR H 1 72 VAL QG 6.070 . 6.570 3.412 3.234 3.681 . 0 0 "[ . 1 . 2]" 1
224 1 72 VAL QG 1 75 TYR QD 6.810 . 7.310 3.756 3.403 4.306 . 0 0 "[ . 1 . 2]" 1
225 1 65 TYR HA 1 72 VAL QG 4.720 . 5.220 2.670 2.490 2.977 . 0 0 "[ . 1 . 2]" 1
226 1 71 GLU QB 1 72 VAL QG 8.580 . 8.680 4.297 3.947 4.480 . 0 0 "[ . 1 . 2]" 1
227 1 30 LEU QD 1 40 ALA H 6.070 . 6.570 3.129 2.831 3.692 . 0 0 "[ . 1 . 2]" 1
228 1 30 LEU QD 1 31 LYS H 6.070 . 6.570 3.709 3.179 4.062 . 0 0 "[ . 1 . 2]" 1
229 1 30 LEU H 1 30 LEU QD 4.720 . 5.220 3.220 2.649 3.535 . 0 0 "[ . 1 . 2]" 1
230 1 30 LEU QD 1 88 PHE QD 6.810 . 7.310 4.338 3.867 4.574 . 0 0 "[ . 1 . 2]" 1
231 1 29 LEU HA 1 30 LEU QD 6.070 . 6.570 3.724 2.908 4.134 . 0 0 "[ . 1 . 2]" 1
232 1 30 LEU QD 1 39 VAL HA 3.370 . 3.870 2.187 1.964 2.533 . 0 0 "[ . 1 . 2]" 1
233 1 30 LEU QD 1 39 VAL HB 6.070 . 6.570 4.268 3.989 4.442 . 0 0 "[ . 1 . 2]" 1
234 1 30 LEU QD 1 38 LEU QB 7.930 . 8.430 3.882 3.650 4.246 . 0 0 "[ . 1 . 2]" 1
235 1 30 LEU QD 1 86 ILE MG 8.900 . 9.400 3.381 2.583 4.364 . 0 0 "[ . 1 . 2]" 1
236 1 32 LEU HA 1 38 LEU QD 7.410 . 7.910 4.633 3.522 5.320 . 0 0 "[ . 1 . 2]" 1
237 1 24 TYR QE 1 76 LEU QD 5.940 . 6.440 2.533 2.253 3.250 . 0 0 "[ . 1 . 2]" 1
238 1 75 TYR QB 1 76 LEU QD 6.810 . 7.310 3.802 3.603 4.025 . 0 0 "[ . 1 . 2]" 1
239 1 49 VAL QG 1 50 GLY H . . 5.220 2.868 2.256 3.456 . 0 0 "[ . 1 . 2]" 1
240 1 42 GLY H 1 49 VAL QG 4.720 . 5.220 2.883 2.006 3.539 . 0 0 "[ . 1 . 2]" 1
241 1 76 LEU QD 1 78 ASN H 7.410 . 7.910 5.400 5.121 5.500 . 0 0 "[ . 1 . 2]" 1
242 1 39 VAL HA 1 49 VAL QG 7.410 . 7.910 4.845 4.417 5.297 . 0 0 "[ . 1 . 2]" 1
243 1 62 ASN H 1 66 THR MG 7.410 . 7.910 4.016 3.782 4.285 . 0 0 "[ . 1 . 2]" 1
244 1 39 VAL QG 1 40 ALA H . . 6.570 3.004 2.611 3.239 . 0 0 "[ . 1 . 2]" 1
245 1 52 ALA H 1 54 LEU QD 5.940 . 6.440 2.888 2.307 3.160 . 0 0 "[ . 1 . 2]" 1
246 1 39 VAL QG 1 88 PHE QD 5.940 . 6.440 2.926 2.379 3.516 . 0 0 "[ . 1 . 2]" 1
247 1 39 VAL QG 1 52 ALA HA 6.810 . 7.310 3.386 3.021 3.678 . 0 0 "[ . 1 . 2]" 1
248 1 39 VAL QG 1 51 HIS QB 9.180 . 9.680 2.342 2.040 2.667 . 0 0 "[ . 1 . 2]" 1
249 1 53 VAL QG 1 86 ILE MG 4.050 . 4.550 2.014 1.858 2.193 . 0 0 "[ . 1 . 2]" 1
250 1 54 LEU QD 1 88 PHE HA . . 5.220 3.046 2.285 3.564 . 0 0 "[ . 1 . 2]" 1
251 1 39 VAL QG 1 51 HIS H 5.940 . 6.440 3.189 2.960 3.381 . 0 0 "[ . 1 . 2]" 1
252 1 61 VAL QG 1 65 TYR H 6.070 . 6.570 4.158 2.599 4.513 . 0 0 "[ . 1 . 2]" 1
253 1 61 VAL H 1 61 VAL QG 3.370 . 3.870 2.123 1.984 2.512 . 0 0 "[ . 1 . 2]" 1
254 1 38 LEU QD 1 52 ALA MB 4.050 . 4.550 2.201 2.026 2.479 . 0 0 "[ . 1 . 2]" 1
255 1 36 ARG QB 1 52 ALA MB 6.490 . 6.990 2.829 2.272 3.576 . 0 0 "[ . 1 . 2]" 1
256 1 21 THR MG 1 22 PHE H 5.400 . 5.900 3.165 2.407 3.895 . 0 0 "[ . 1 . 2]" 1
257 1 21 THR MG 1 85 SER HA 5.400 . 5.900 3.176 2.400 3.642 . 0 0 "[ . 1 . 2]" 1
258 1 49 VAL QG 1 50 GLY QA 8.320 . 8.820 3.401 2.937 3.900 . 0 0 "[ . 1 . 2]" 1
259 1 66 THR H 1 66 THR MG . . 3.500 2.337 2.285 2.412 . 0 0 "[ . 1 . 2]" 1
260 1 66 THR MG 1 67 ALA H 4.720 . 5.220 3.545 3.526 3.569 . 0 0 "[ . 1 . 2]" 1
261 1 65 TYR H 1 66 THR MG 6.070 . 6.570 4.004 3.976 4.032 . 0 0 "[ . 1 . 2]" 1
262 1 57 ASN QD 1 84 VAL QG . . 5.800 2.322 1.751 3.472 0.049 18 0 "[ . 1 . 2]" 1
263 1 66 THR MG 1 75 TYR QD 7.280 . 7.780 2.969 2.725 3.343 . 0 0 "[ . 1 . 2]" 1
264 1 24 TYR QE 1 84 VAL QG . . 5.040 2.364 2.020 2.518 . 0 0 "[ . 1 . 2]" 1
265 1 65 TYR HA 1 66 THR MG 5.400 . 5.900 3.872 3.801 4.034 . 0 0 "[ . 1 . 2]" 1
266 1 21 THR HB 1 84 VAL QG 8.900 . 9.400 4.445 4.322 4.793 . 0 0 "[ . 1 . 2]" 1
267 1 66 THR MG 1 72 VAL HA 4.200 . 4.700 3.083 2.674 3.483 . 0 0 "[ . 1 . 2]" 1
268 1 22 PHE QB 1 66 THR MG 8.180 . 8.680 2.321 2.064 2.974 . 0 0 "[ . 1 . 2]" 1
269 1 56 ILE HB 1 66 THR MG 5.050 . 5.550 2.990 2.741 3.348 . 0 0 "[ . 1 . 2]" 1
270 1 84 VAL QG 1 86 ILE MG 8.900 . 9.400 4.346 4.077 4.689 . 0 0 "[ . 1 . 2]" 1
271 1 30 LEU QB 1 39 VAL QG 8.860 . 9.360 2.806 2.120 2.986 . 0 0 "[ . 1 . 2]" 1
272 1 53 VAL QG 1 55 ALA MB 6.930 . 7.430 2.199 2.048 2.406 . 0 0 "[ . 1 . 2]" 1
273 1 54 LEU HA 1 54 LEU QD 3.370 . 3.870 2.129 1.933 2.475 . 0 0 "[ . 1 . 2]" 1
274 1 39 VAL QG 1 43 GLN HA 5.940 . 6.440 3.303 2.272 3.540 . 0 0 "[ . 1 . 2]" 1
275 1 39 VAL QG 1 51 HIS H . . 5.220 3.295 3.031 3.505 . 0 0 "[ . 1 . 2]" 1
276 1 39 VAL QG 1 41 PHE H 4.720 . 5.220 2.744 2.522 3.060 . 0 0 "[ . 1 . 2]" 1
277 1 39 VAL QG 1 49 VAL HA 4.050 . 4.550 2.178 1.982 2.517 . 0 0 "[ . 1 . 2]" 1
278 1 39 VAL H 1 52 ALA MB 6.490 . 6.990 3.490 3.352 3.679 . 0 0 "[ . 1 . 2]" 1
279 1 51 HIS HA 1 52 ALA MB 6.490 . 6.990 3.471 3.238 3.688 . 0 0 "[ . 1 . 2]" 1
280 1 55 ALA MB 1 58 GLY H 4.200 . 4.700 3.317 2.975 3.512 . 0 0 "[ . 1 . 2]" 1
281 1 55 ALA MB 1 60 ASP H 4.200 . 4.700 3.537 3.506 3.569 . 0 0 "[ . 1 . 2]" 1
282 1 55 ALA MB 1 56 ILE H 3.000 . 3.500 2.504 2.475 2.515 . 0 0 "[ . 1 . 2]" 1
283 1 55 ALA MB 1 58 GLY QA 4.720 . 5.220 3.288 2.925 3.521 . 0 0 "[ . 1 . 2]" 1
284 1 55 ALA MB 1 60 ASP QB 6.070 . 6.570 3.428 3.258 3.676 . 0 0 "[ . 1 . 2]" 1
285 1 54 LEU QD 1 55 ALA MB 6.530 . 7.030 3.256 3.184 3.356 . 0 0 "[ . 1 . 2]" 1
286 1 55 ALA MB 1 86 ILE MG 7.930 . 8.430 4.633 4.405 5.140 . 0 0 "[ . 1 . 2]" 1
287 1 23 SER H 1 84 VAL QG 5.300 . 5.800 3.111 3.009 3.380 . 0 0 "[ . 1 . 2]" 1
288 1 37 VAL QG 1 38 LEU H 5.300 . 5.800 2.816 2.482 3.345 . 0 0 "[ . 1 . 2]" 1
289 1 37 VAL QG 1 64 ARG HA 4.720 . 5.220 2.277 2.023 3.530 . 0 0 "[ . 1 . 2]" 1
290 1 37 VAL QG 1 73 LEU HA 9.990 . 10.490 3.526 3.350 3.753 . 0 0 "[ . 1 . 2]" 1
291 1 37 VAL QG 1 72 VAL HB 3.780 . 4.280 2.123 1.981 2.553 . 0 0 "[ . 1 . 2]" 1
292 1 53 VAL QG 1 54 LEU H 4.720 . 5.220 2.448 2.246 2.584 . 0 0 "[ . 1 . 2]" 1
293 1 53 VAL QG 1 55 ALA H 4.720 . 5.220 2.710 2.393 2.889 . 0 0 "[ . 1 . 2]" 1
294 1 53 VAL QG 1 54 LEU HA 6.810 . 7.310 3.475 3.376 3.641 . 0 0 "[ . 1 . 2]" 1
295 1 53 VAL QG 1 56 ILE QG 5.300 . 5.800 2.212 2.059 2.430 . 0 0 "[ . 1 . 2]" 1
296 1 40 ALA MB 1 41 PHE QB 6.070 . 6.570 3.401 3.182 3.852 . 0 0 "[ . 1 . 2]" 1
297 1 53 VAL QG 1 88 PHE QD 6.810 . 7.310 3.625 3.146 4.118 . 0 0 "[ . 1 . 2]" 1
298 1 40 ALA H 1 40 ALA MB 3.000 . 3.500 2.280 2.227 2.440 . 0 0 "[ . 1 . 2]" 1
299 1 31 LYS H 1 40 ALA MB 5.400 . 5.900 3.214 2.914 3.922 . 0 0 "[ . 1 . 2]" 1
300 1 30 LEU H 1 40 ALA MB 6.610 . 7.110 3.737 3.429 4.401 . 0 0 "[ . 1 . 2]" 1
301 1 40 ALA MB 1 41 PHE H 4.200 . 4.700 2.633 2.500 2.779 . 0 0 "[ . 1 . 2]" 1
302 1 30 LEU HA 1 40 ALA MB 4.200 . 4.700 2.958 2.435 3.509 . 0 0 "[ . 1 . 2]" 1
303 1 31 LYS QE 1 40 ALA MB 6.070 . 6.570 3.848 2.947 4.177 . 0 0 "[ . 1 . 2]" 1
304 1 29 LEU QB 1 40 ALA MB 4.050 . 4.550 2.133 1.831 2.536 . 0 0 "[ . 1 . 2]" 1
305 1 40 ALA MB 1 49 VAL QG . . 7.780 4.110 3.875 4.256 . 0 0 "[ . 1 . 2]" 1
306 1 30 LEU QD 1 40 ALA MB 7.470 . 7.970 3.980 3.799 4.287 . 0 0 "[ . 1 . 2]" 1
307 1 39 VAL HA 1 40 ALA MB 5.400 . 5.900 4.010 3.862 4.080 . 0 0 "[ . 1 . 2]" 1
308 1 43 GLN HA 1 49 VAL QG 6.070 . 6.570 4.070 2.368 4.565 . 0 0 "[ . 1 . 2]" 1
309 1 49 VAL QG 1 51 HIS H 7.410 . 7.910 4.372 4.122 4.554 . 0 0 "[ . 1 . 2]" 1
310 1 61 VAL QG 1 62 ASN H 6.070 . 6.570 3.416 2.501 3.599 . 0 0 "[ . 1 . 2]" 1
311 1 56 ILE H 1 61 VAL QG . . 4.280 2.730 2.425 2.855 . 0 0 "[ . 1 . 2]" 1
312 1 61 VAL QG 1 66 THR HA 4.720 . 5.220 2.310 2.134 2.868 . 0 0 "[ . 1 . 2]" 1
313 1 56 ILE QG 1 61 VAL QG 5.300 . 5.800 2.334 2.140 2.519 . 0 0 "[ . 1 . 2]" 1
314 1 75 TYR QD 1 84 VAL QG 6.810 . 7.310 4.071 3.355 4.522 . 0 0 "[ . 1 . 2]" 1
315 1 76 LEU HA 1 84 VAL QG 6.070 . 6.570 3.346 2.643 3.928 . 0 0 "[ . 1 . 2]" 1
316 1 81 ASN QB 1 84 VAL QG 8.320 . 8.820 3.597 2.351 4.033 . 0 0 "[ . 1 . 2]" 1
317 1 61 VAL QG 1 63 GLY H . . 5.800 3.164 2.535 3.925 . 0 0 "[ . 1 . 2]" 1
318 1 54 LEU HA 1 61 VAL QG 4.720 . 5.220 2.772 2.349 3.571 . 0 0 "[ . 1 . 2]" 1
319 1 16 ALA MB 1 17 GLU HA 7.410 . 7.910 4.113 3.527 4.491 . 0 0 "[ . 1 . 2]" 1
320 1 67 ALA H 1 67 ALA MB 3.000 . 3.500 2.174 2.151 2.195 . 0 0 "[ . 1 . 2]" 1
321 1 60 ASP H 1 67 ALA MB 5.400 . 5.900 3.524 2.800 4.325 . 0 0 "[ . 1 . 2]" 1
322 1 67 ALA MB 1 68 ASP H . . 3.500 2.518 2.509 2.525 . 0 0 "[ . 1 . 2]" 1
323 1 60 ASP HA 1 67 ALA MB 6.070 . 6.570 3.799 3.693 3.849 . 0 0 "[ . 1 . 2]" 1
324 1 66 THR HA 1 67 ALA MB 4.720 . 5.220 3.374 3.339 3.396 . 0 0 "[ . 1 . 2]" 1
325 1 59 MET QG 1 67 ALA MB 5.300 . 5.800 2.785 2.400 3.390 . 0 0 "[ . 1 . 2]" 1
326 1 86 ILE MG 1 88 PHE QD 4.720 . 5.220 2.671 2.173 3.264 . 0 0 "[ . 1 . 2]" 1
327 1 80 ALA H 1 80 ALA MB 3.000 . 3.500 2.239 2.202 2.252 . 0 0 "[ . 1 . 2]" 1
328 1 80 ALA MB 1 82 TYR H 6.610 . 7.110 4.719 4.599 4.883 . 0 0 "[ . 1 . 2]" 1
329 1 78 ASN QD 1 80 ALA MB 6.070 . 6.570 2.256 1.922 2.525 . 0 0 "[ . 1 . 2]" 1
330 1 79 PRO QD 1 80 ALA MB 8.320 . 8.820 4.029 3.952 4.095 . 0 0 "[ . 1 . 2]" 1
331 1 79 PRO QG 1 80 ALA MB 6.070 . 6.570 4.013 3.443 4.208 . 0 0 "[ . 1 . 2]" 1
332 1 56 ILE MG 1 57 ASN H . . 3.500 2.507 2.390 2.553 . 0 0 "[ . 1 . 2]" 1
333 1 56 ILE MG 1 85 SER H 6.610 . 7.110 3.614 3.308 4.159 . 0 0 "[ . 1 . 2]" 1
334 1 56 ILE MG 1 57 ASN QD . . 5.220 2.797 2.390 3.123 . 0 0 "[ . 1 . 2]" 1
335 1 56 ILE MG 1 75 TYR QD 4.720 . 5.220 2.706 2.425 3.000 . 0 0 "[ . 1 . 2]" 1
336 1 56 ILE MG 1 75 TYR QE 6.070 . 6.570 2.275 2.109 2.766 . 0 0 "[ . 1 . 2]" 1
337 1 56 ILE MG 1 86 ILE HA 5.400 . 5.900 3.609 3.463 3.892 . 0 0 "[ . 1 . 2]" 1
338 1 56 ILE HA 1 56 ILE MG 3.000 . 3.500 2.387 2.348 2.471 . 0 0 "[ . 1 . 2]" 1
339 1 56 ILE MG 1 57 ASN QB . . 5.220 2.958 2.742 3.101 . 0 0 "[ . 1 . 2]" 1
340 1 56 ILE MG 1 84 VAL HB 4.200 . 4.700 2.659 2.262 3.052 . 0 0 "[ . 1 . 2]" 1
341 1 56 ILE MG 1 86 ILE MG 6.490 . 6.990 3.703 3.482 4.067 . 0 0 "[ . 1 . 2]" 1
342 1 56 ILE H 1 56 ILE MD 5.400 . 5.900 4.234 4.037 4.326 . 0 0 "[ . 1 . 2]" 1
343 1 56 ILE MD 1 75 TYR QD 4.720 . 5.220 2.786 2.455 3.263 . 0 0 "[ . 1 . 2]" 1
344 1 24 TYR QE 1 56 ILE MD 5.940 . 6.440 3.360 3.152 3.528 . 0 0 "[ . 1 . 2]" 1
345 1 56 ILE HA 1 86 ILE MD 5.400 . 5.900 4.264 2.544 4.551 . 0 0 "[ . 1 . 2]" 1
346 1 56 ILE MD 1 66 THR HA 7.280 . 7.780 3.852 3.576 4.016 . 0 0 "[ . 1 . 2]" 1
347 1 56 ILE MD 1 72 VAL HA 4.200 . 4.700 3.336 3.122 3.527 . 0 0 "[ . 1 . 2]" 1
348 1 22 PHE QB 1 86 ILE MD 6.070 . 6.570 3.064 2.266 4.244 . 0 0 "[ . 1 . 2]" 1
349 1 56 ILE MD 1 76 LEU HG 3.000 . 3.500 2.484 2.291 2.536 . 0 0 "[ . 1 . 2]" 1
350 1 56 ILE HB 1 56 ILE MD 3.000 . 3.500 2.374 2.295 2.427 . 0 0 "[ . 1 . 2]" 1
351 1 22 PHE QE 1 86 ILE MD 6.070 . 6.570 3.833 3.073 4.581 . 0 0 "[ . 1 . 2]" 1
352 1 86 ILE MD 1 86 ILE MG 3.610 . 4.110 2.061 2.044 2.118 . 0 0 "[ . 1 . 2]" 1
353 1 21 THR HA 1 22 PHE H . . 4.000 2.269 2.180 2.321 . 0 0 "[ . 1 . 2]" 1
354 1 65 TYR HA 1 66 THR H 2.500 . 3.000 2.374 2.323 2.427 . 0 0 "[ . 1 . 2]" 1
355 1 65 TYR HA 1 72 VAL H 3.500 . 4.000 2.779 2.512 3.002 . 0 0 "[ . 1 . 2]" 1
356 1 65 TYR HA 1 65 TYR QD 3.930 . 4.430 2.753 2.461 3.137 . 0 0 "[ . 1 . 2]" 1
357 1 84 VAL QG 1 85 SER HA 9.440 . 9.940 3.886 3.595 4.475 . 0 0 "[ . 1 . 2]" 1
358 1 21 THR HA 1 85 SER HA 3.500 . 4.000 2.099 1.956 2.189 . 0 0 "[ . 1 . 2]" 1
359 1 85 SER HA 1 86 ILE H 2.500 . 3.000 2.298 2.256 2.329 . 0 0 "[ . 1 . 2]" 1
360 1 54 LEU H 1 88 PHE HA 3.500 . 4.000 2.548 2.364 2.707 . 0 0 "[ . 1 . 2]" 1
361 1 88 PHE HA 1 89 GLY H 3.500 . 4.000 2.437 2.290 2.531 . 0 0 "[ . 1 . 2]" 1
362 1 30 LEU HA 1 31 LYS H 2.500 . 3.000 2.367 2.314 2.420 . 0 0 "[ . 1 . 2]" 1
363 1 30 LEU HA 1 39 VAL HA 3.500 . 4.000 2.629 2.359 2.904 . 0 0 "[ . 1 . 2]" 1
364 1 30 LEU HA 1 30 LEU QD 3.460 . 3.960 2.270 2.129 2.396 . 0 0 "[ . 1 . 2]" 1
365 1 38 LEU HA 1 39 VAL H 2.500 . 3.000 2.274 2.206 2.346 . 0 0 "[ . 1 . 2]" 1
366 1 38 LEU QD 1 52 ALA HA 4.720 . 5.220 2.345 2.027 3.237 . 0 0 "[ . 1 . 2]" 1
367 1 59 MET H 1 66 THR HB 6.170 . 6.670 4.055 3.961 4.181 . 0 0 "[ . 1 . 2]" 1
368 1 59 MET QB 1 66 THR HB 5.050 . 5.550 3.194 2.261 4.523 . 0 0 "[ . 1 . 2]" 1
369 1 21 THR HB 1 22 PHE H 5.500 . 6.000 3.427 2.998 4.104 . 0 0 "[ . 1 . 2]" 1
370 1 21 THR HB 1 85 SER HA 5.500 . 6.000 4.638 4.049 5.215 . 0 0 "[ . 1 . 2]" 1
371 1 72 VAL HA 1 75 TYR QD 5.050 . 5.550 3.707 3.254 4.239 . 0 0 "[ . 1 . 2]" 1
372 1 72 VAL HA 1 73 LEU H 5.500 . 6.000 3.604 3.552 3.630 . 0 0 "[ . 1 . 2]" 1
373 1 66 THR H 1 72 VAL HA 5.500 . 6.000 4.574 4.354 4.762 . 0 0 "[ . 1 . 2]" 1
374 1 72 VAL HA 1 75 TYR QE 8.820 . 9.320 5.237 4.919 5.760 . 0 0 "[ . 1 . 2]" 1
375 1 67 ALA H 1 72 VAL HA 6.170 . 6.670 5.263 5.104 5.365 . 0 0 "[ . 1 . 2]" 1
376 1 72 VAL HA 1 74 GLU H 5.500 . 6.000 4.425 4.221 4.745 . 0 0 "[ . 1 . 2]" 1
377 1 65 TYR HA 1 72 VAL HA 5.500 . 6.000 4.569 4.356 4.775 . 0 0 "[ . 1 . 2]" 1
378 1 66 THR HA 1 72 VAL HA 5.400 . 5.900 4.105 3.982 4.174 . 0 0 "[ . 1 . 2]" 1
379 1 72 VAL HA 1 75 TYR HA 5.500 . 6.000 5.137 4.843 5.321 . 0 0 "[ . 1 . 2]" 1
380 1 71 GLU QB 1 72 VAL HA 5.880 . 6.380 3.615 3.502 3.750 . 0 0 "[ . 1 . 2]" 1
381 1 56 ILE HB 1 72 VAL HA 6.610 . 7.110 5.232 4.936 5.456 . 0 0 "[ . 1 . 2]" 1
382 1 23 SER QB 1 82 TYR QD 5.670 . 6.170 4.306 3.699 4.511 . 0 0 "[ . 1 . 2]" 1
383 1 23 SER QB 1 82 TYR QE 8.820 . 9.320 5.812 4.844 5.962 . 0 0 "[ . 1 . 2]" 1
384 1 23 SER QB 1 24 TYR QB 5.670 . 6.170 4.476 4.102 4.538 . 0 0 "[ . 1 . 2]" 1
385 1 49 VAL HA 1 51 HIS H 4.500 . 5.000 3.424 3.049 3.644 . 0 0 "[ . 1 . 2]" 1
386 1 79 PRO HA 1 80 ALA H 5.400 . 5.900 3.470 3.421 3.533 . 0 0 "[ . 1 . 2]" 1
387 1 79 PRO HA 1 81 ASN H . . 5.000 3.278 3.164 3.697 . 0 0 "[ . 1 . 2]" 1
388 1 78 ASN HA 1 79 PRO HA 5.500 . 6.000 4.488 4.467 4.514 . 0 0 "[ . 1 . 2]" 1
389 1 79 PRO HA 1 82 TYR HA 5.500 . 6.000 3.820 3.518 4.334 . 0 0 "[ . 1 . 2]" 1
390 1 40 ALA HA 1 49 VAL HA 5.400 . 5.900 3.836 3.661 3.973 . 0 0 "[ . 1 . 2]" 1
391 1 24 TYR QB 1 79 PRO HA 6.170 . 6.670 4.902 3.792 5.199 . 0 0 "[ . 1 . 2]" 1
392 1 95 SER QB 1 96 ASN H 5.050 . 5.550 3.329 2.274 4.056 . 0 0 "[ . 1 . 2]" 1
393 1 53 VAL HA 1 55 ALA H 4.500 . 5.000 3.945 3.746 4.177 . 0 0 "[ . 1 . 2]" 1
394 1 53 VAL HA 1 88 PHE QD 6.170 . 6.670 3.713 2.612 4.471 . 0 0 "[ . 1 . 2]" 1
395 1 11 SER QB 1 12 TYR QD 6.930 . 7.430 3.787 2.619 4.641 . 0 0 "[ . 1 . 2]" 1
396 1 11 SER QB 1 12 TYR QB 8.730 . 9.230 3.793 2.916 4.238 . 0 0 "[ . 1 . 2]" 1
397 1 21 THR MG 1 85 SER QB 7.410 . 7.910 3.612 2.786 4.373 . 0 0 "[ . 1 . 2]" 1
398 1 53 VAL HA 1 86 ILE MG 5.400 . 5.900 3.470 3.132 3.782 . 0 0 "[ . 1 . 2]" 1
399 1 52 ALA MB 1 53 VAL HA 5.880 . 6.380 3.801 3.599 3.954 . 0 0 "[ . 1 . 2]" 1
400 1 39 VAL HA 1 41 PHE H 4.500 . 5.000 3.680 3.423 4.126 . 0 0 "[ . 1 . 2]" 1
401 1 31 LYS H 1 39 VAL HA 5.500 . 6.000 4.174 3.927 4.401 . 0 0 "[ . 1 . 2]" 1
402 1 30 LEU QB 1 39 VAL HA 6.070 . 6.570 3.648 3.360 3.997 . 0 0 "[ . 1 . 2]" 1
403 1 31 LYS QG 1 39 VAL HA 6.220 . 6.720 3.651 3.533 3.754 . 0 0 "[ . 1 . 2]" 1
404 1 75 TYR HA 1 78 ASN QD 6.170 . 6.670 4.178 3.792 4.633 . 0 0 "[ . 1 . 2]" 1
405 1 75 TYR HA 1 78 ASN H 5.400 . 5.900 3.528 3.356 3.686 . 0 0 "[ . 1 . 2]" 1
406 1 75 TYR HA 1 76 LEU H 4.500 . 5.000 3.602 3.585 3.632 . 0 0 "[ . 1 . 2]" 1
407 1 75 TYR HA 1 76 LEU HA 5.500 . 6.000 4.775 4.717 4.836 . 0 0 "[ . 1 . 2]" 1
408 1 75 TYR HA 1 78 ASN QB 5.050 . 5.550 3.216 3.033 3.396 . 0 0 "[ . 1 . 2]" 1
409 1 74 GLU QG 1 75 TYR HA 6.930 . 7.430 3.919 3.520 5.354 . 0 0 "[ . 1 . 2]" 1
410 1 71 GLU QB 1 75 TYR HA 6.610 . 7.110 5.123 4.990 5.249 . 0 0 "[ . 1 . 2]" 1
411 1 70 LYS QD 1 75 TYR HA 6.930 . 7.430 4.388 3.839 5.074 . 0 0 "[ . 1 . 2]" 1
412 1 24 TYR QD 1 25 PRO HA 5.050 . 5.550 3.366 2.777 4.330 . 0 0 "[ . 1 . 2]" 1
413 1 24 TYR QE 1 25 PRO HA 6.930 . 7.430 4.396 3.328 4.877 . 0 0 "[ . 1 . 2]" 1
414 1 65 TYR H 1 66 THR HA 6.170 . 6.670 4.033 3.973 4.098 . 0 0 "[ . 1 . 2]" 1
415 1 61 VAL H 1 66 THR HA 5.500 . 6.000 5.136 4.592 5.510 . 0 0 "[ . 1 . 2]" 1
416 1 61 VAL HB 1 66 THR HA 4.500 . 5.000 3.426 2.782 4.658 . 0 0 "[ . 1 . 2]" 1
417 1 61 VAL HA 1 67 ALA H 4.500 . 5.000 3.444 3.270 3.597 . 0 0 "[ . 1 . 2]" 1
418 1 61 VAL HA 1 63 GLY H 5.500 . 6.000 4.796 4.423 5.624 . 0 0 "[ . 1 . 2]" 1
419 1 61 VAL HA 1 65 TYR H 6.170 . 6.670 4.619 4.272 5.136 . 0 0 "[ . 1 . 2]" 1
420 1 56 ILE H 1 61 VAL HA 5.500 . 6.000 5.259 4.898 5.503 . 0 0 "[ . 1 . 2]" 1
421 1 61 VAL HA 1 62 ASN QB 6.170 . 6.670 3.992 3.797 4.094 . 0 0 "[ . 1 . 2]" 1
422 1 60 ASP QB 1 61 VAL HA 6.930 . 7.430 3.810 3.633 3.914 . 0 0 "[ . 1 . 2]" 1
423 1 60 ASP HA 1 61 VAL HA 4.500 . 5.000 4.422 4.355 4.486 . 0 0 "[ . 1 . 2]" 1
424 1 61 VAL HA 1 67 ALA MB 5.400 . 5.900 4.257 3.789 4.514 . 0 0 "[ . 1 . 2]" 1
425 1 56 ILE HA 1 57 ASN QB 6.170 . 6.670 4.629 4.417 4.698 . 0 0 "[ . 1 . 2]" 1
426 1 56 ILE HA 1 86 ILE MG . . 5.900 3.335 2.975 3.721 . 0 0 "[ . 1 . 2]" 1
427 1 73 LEU HA 1 76 LEU H 5.500 . 6.000 3.622 3.407 3.848 . 0 0 "[ . 1 . 2]" 1
428 1 73 LEU HA 1 74 GLU H 5.500 . 6.000 3.584 3.570 3.610 . 0 0 "[ . 1 . 2]" 1
429 1 66 THR H 1 71 GLU HA 5.500 . 6.000 3.981 3.857 4.285 . 0 0 "[ . 1 . 2]" 1
430 1 71 GLU HA 1 73 LEU H 4.500 . 5.000 4.290 4.120 4.461 . 0 0 "[ . 1 . 2]" 1
431 1 11 SER HA 1 12 TYR QE 6.360 . 6.860 3.688 3.355 4.147 . 0 0 "[ . 1 . 2]" 1
432 1 35 GLU HA 1 64 ARG QD . . 5.550 3.314 2.165 4.524 . 0 0 "[ . 1 . 2]" 1
433 1 35 GLU HA 1 64 ARG QB 6.170 . 6.670 3.847 2.682 5.223 . 0 0 "[ . 1 . 2]" 1
434 1 32 LEU QB 1 35 GLU HA 6.170 . 6.670 5.462 5.216 5.581 . 0 0 "[ . 1 . 2]" 1
435 1 81 ASN H 1 82 TYR HA 5.500 . 6.000 4.340 4.047 4.537 . 0 0 "[ . 1 . 2]" 1
436 1 24 TYR QE 1 82 TYR HA 6.170 . 6.670 3.716 2.854 5.558 . 0 0 "[ . 1 . 2]" 1
437 1 65 TYR HA 1 72 VAL HB 5.500 . 6.000 4.679 4.220 5.533 . 0 0 "[ . 1 . 2]" 1
438 1 65 TYR HA 1 71 GLU QB 6.930 . 7.430 3.731 3.532 4.096 . 0 0 "[ . 1 . 2]" 1
439 1 65 TYR HA 1 71 GLU QG 6.170 . 6.670 4.014 3.711 4.453 . 0 0 "[ . 1 . 2]" 1
440 1 81 ASN QB 1 82 TYR HA 6.170 . 6.670 4.726 4.268 5.139 . 0 0 "[ . 1 . 2]" 1
441 1 84 VAL QG 1 85 SER HA 6.490 . 6.990 3.718 3.426 4.173 . 0 0 "[ . 1 . 2]" 1
442 1 85 SER HA 1 86 ILE HB 5.400 . 5.900 3.324 3.200 3.422 . 0 0 "[ . 1 . 2]" 1
443 1 22 PHE QE 1 85 SER HA 7.860 . 8.360 5.058 4.404 5.810 . 0 0 "[ . 1 . 2]" 1
444 1 22 PHE QD 1 85 SER HA 7.860 . 8.360 3.733 3.057 4.680 . 0 0 "[ . 1 . 2]" 1
445 1 22 PHE H 1 85 SER HA 3.500 . 4.000 3.322 2.920 3.538 . 0 0 "[ . 1 . 2]" 1
446 1 85 SER HA 1 86 ILE MG 6.610 . 7.110 5.470 5.396 5.521 . 0 0 "[ . 1 . 2]" 1
447 1 51 HIS HA 1 88 PHE HA 6.170 . 6.670 4.650 4.442 4.937 . 0 0 "[ . 1 . 2]" 1
448 1 88 PHE HA 1 89 GLY QA 6.170 . 6.670 3.963 3.882 4.035 . 0 0 "[ . 1 . 2]" 1
449 1 55 ALA H 1 88 PHE HA 5.500 . 6.000 4.092 3.953 4.204 . 0 0 "[ . 1 . 2]" 1
450 1 86 ILE MG 1 88 PHE HA 6.610 . 7.110 4.119 3.758 4.460 . 0 0 "[ . 1 . 2]" 1
451 1 24 TYR HA 1 25 PRO QB 6.170 . 6.670 4.224 4.091 4.440 . 0 0 "[ . 1 . 2]" 1
452 1 24 TYR HA 1 24 TYR QD 3.930 . 4.430 2.579 2.167 2.913 . 0 0 "[ . 1 . 2]" 1
453 1 61 VAL H 1 67 ALA HA 6.610 . 7.110 5.218 4.865 5.313 . 0 0 "[ . 1 . 2]" 1
454 1 62 ASN QD 1 67 ALA HA 6.170 . 6.670 5.453 4.986 5.532 . 0 0 "[ . 1 . 2]" 1
455 1 76 LEU HA 1 78 ASN H 5.500 . 6.000 4.207 3.755 4.351 . 0 0 "[ . 1 . 2]" 1
456 1 30 LEU HA 1 41 PHE H . . 5.000 4.158 4.002 4.338 . 0 0 "[ . 1 . 2]" 1
457 1 30 LEU HA 1 40 ALA H 4.500 . 5.000 2.205 1.910 2.725 . 0 0 "[ . 1 . 2]" 1
458 1 16 ALA HA 1 90 ARG QG 7.860 . 8.360 5.023 2.324 7.021 . 0 0 "[ . 1 . 2]" 1
459 1 16 ALA HA 1 17 GLU QB 7.860 . 8.360 4.685 4.276 5.372 . 0 0 "[ . 1 . 2]" 1
460 1 16 ALA HA 1 90 ARG QD 6.170 . 6.670 4.516 2.252 5.545 . 0 0 "[ . 1 . 2]" 1
461 1 16 ALA HA 1 89 GLY H 6.170 . 6.670 3.704 2.775 5.136 . 0 0 "[ . 1 . 2]" 1
462 1 62 ASN HA 1 63 GLY H 2.500 . 3.000 2.368 2.180 2.501 . 0 0 "[ . 1 . 2]" 1
463 1 61 VAL HA 1 62 ASN HA 6.610 . 7.110 3.686 3.630 3.754 . 0 0 "[ . 1 . 2]" 1
464 1 62 ASN HA 1 63 GLY QA 6.170 . 6.670 3.938 3.860 4.037 . 0 0 "[ . 1 . 2]" 1
465 1 61 VAL QG 1 62 ASN HA 10.590 . 11.090 4.336 3.601 4.513 . 0 0 "[ . 1 . 2]" 1
466 1 79 PRO QD 1 82 TYR QE 6.930 . 7.430 4.008 3.624 5.499 . 0 0 "[ . 1 . 2]" 1
467 1 78 ASN H 1 79 PRO QD 8.320 . 8.820 3.929 3.823 3.960 . 0 0 "[ . 1 . 2]" 1
468 1 78 ASN QB 1 79 PRO QD 6.930 . 7.430 3.741 3.678 3.782 . 0 0 "[ . 1 . 2]" 1
469 1 13 ALA H 1 14 PRO QD 6.170 . 6.170 3.684 1.675 4.466 0.125 9 0 "[ . 1 . 2]" 1
470 1 14 PRO QD 1 15 ARG H 6.170 . 6.670 4.134 2.834 5.007 . 0 0 "[ . 1 . 2]" 1
471 1 12 TYR QD 1 14 PRO QD 6.930 . 7.430 4.084 2.619 4.737 . 0 0 "[ . 1 . 2]" 1
472 1 12 TYR QE 1 14 PRO QD 6.930 . 7.430 4.920 3.064 5.540 . 0 0 "[ . 1 . 2]" 1
473 1 39 VAL H 1 52 ALA HA 4.500 . 5.000 3.606 3.147 3.909 . 0 0 "[ . 1 . 2]" 1
474 1 37 VAL HB 1 52 ALA HA 6.070 . 6.570 3.929 3.474 4.251 . 0 0 "[ . 1 . 2]" 1
475 1 25 PRO QD 1 82 TYR QE 6.930 . 7.430 2.973 2.354 4.086 . 0 0 "[ . 1 . 2]" 1
476 1 24 TYR QD 1 25 PRO QD 6.930 . 7.430 5.309 4.185 5.503 . 0 0 "[ . 1 . 2]" 1
477 1 24 TYR HA 1 25 PRO QD 6.170 . 6.670 4.098 4.055 4.122 . 0 0 "[ . 1 . 2]" 1
478 1 63 GLY QA 1 65 TYR H . . 5.550 3.787 3.506 3.951 . 0 0 "[ . 1 . 2]" 1
479 1 35 GLU QB 1 63 GLY QA 9.900 . 10.400 3.948 3.386 4.831 . 0 0 "[ . 1 . 2]" 1
480 1 36 ARG QB 1 63 GLY QA 6.930 . 7.430 3.789 3.011 4.651 . 0 0 "[ . 1 . 2]" 1
481 1 52 ALA MB 1 63 GLY QA 8.070 . 8.570 3.674 3.392 4.320 . 0 0 "[ . 1 . 2]" 1
482 1 52 ALA MB 1 63 GLY QA 10.250 . 10.750 3.386 3.162 3.681 . 0 0 "[ . 1 . 2]" 1
483 1 61 VAL QG 1 63 GLY QA . . 9.840 3.616 2.753 4.617 . 0 0 "[ . 1 . 2]" 1
484 1 65 TYR QD 1 69 GLY QA 6.930 . 7.430 3.969 3.598 4.262 . 0 0 "[ . 1 . 2]" 1
485 1 66 THR H 1 69 GLY QA 6.170 . 6.670 3.566 3.463 3.672 . 0 0 "[ . 1 . 2]" 1
486 1 68 ASP HA 1 69 GLY QA . . 7.430 3.791 3.762 3.814 . 0 0 "[ . 1 . 2]" 1
487 1 65 TYR QB 1 69 GLY QA 5.670 . 6.170 2.441 2.258 2.614 . 0 0 "[ . 1 . 2]" 1
488 1 31 LYS H 1 38 LEU QB 6.170 . 6.670 3.779 3.640 3.856 . 0 0 "[ . 1 . 2]" 1
489 1 38 LEU QB 1 50 GLY QA 5.670 . 6.170 2.788 2.188 3.574 . 0 0 "[ . 1 . 2]" 1
490 1 37 VAL HA 1 38 LEU QB 6.170 . 6.670 4.266 3.959 4.539 . 0 0 "[ . 1 . 2]" 1
491 1 89 GLY QA 1 90 ARG QB 6.360 . 6.860 3.741 3.484 3.960 . 0 0 "[ . 1 . 2]" 1
492 1 17 GLU QB 1 89 GLY QA 6.930 . 7.430 3.498 2.119 4.918 . 0 0 "[ . 1 . 2]" 1
493 1 17 GLU QG 1 89 GLY QA 6.930 . 7.430 2.997 2.080 4.321 . 0 0 "[ . 1 . 2]" 1
494 1 57 ASN H 1 58 GLY QA 6.170 . 6.670 4.779 4.711 4.904 . 0 0 "[ . 1 . 2]" 1
495 1 50 GLY QA 1 51 HIS H 5.050 . 5.550 2.997 2.964 3.021 . 0 0 "[ . 1 . 2]" 1
496 1 51 HIS H 1 58 GLY QA 7.780 . 8.280 4.623 4.479 4.803 . 0 0 "[ . 1 . 2]" 1
497 1 24 TYR QE 1 77 GLY QA . . 8.280 2.934 2.447 5.207 . 0 0 "[ . 1 . 2]" 1
498 1 2 GLY QA 1 3 HIS H 6.170 . 6.670 2.474 2.228 2.995 . 0 0 "[ . 1 . 2]" 1
499 1 39 VAL HB 1 50 GLY QA 6.170 . 6.670 4.205 3.894 4.447 . 0 0 "[ . 1 . 2]" 1
500 1 64 ARG H 1 64 ARG QD . . 5.550 3.959 2.293 4.434 . 0 0 "[ . 1 . 2]" 1
501 1 30 LEU QB 1 31 LYS H . . 4.430 2.676 2.534 2.890 . 0 0 "[ . 1 . 2]" 1
502 1 29 LEU QB 1 41 PHE QD 6.930 . 7.430 3.589 2.252 4.417 . 0 0 "[ . 1 . 2]" 1
503 1 32 LEU QB 1 33 HIS H 5.050 . 5.550 3.844 3.762 3.907 . 0 0 "[ . 1 . 2]" 1
504 1 22 PHE QB 1 23 SER H 6.170 . 6.670 2.345 2.081 2.579 . 0 0 "[ . 1 . 2]" 1
505 1 32 LEU QB 1 38 LEU H 7.860 . 8.360 5.369 5.048 5.555 . 0 0 "[ . 1 . 2]" 1
506 1 62 ASN H 1 65 TYR QB . . 7.430 3.635 3.468 3.811 . 0 0 "[ . 1 . 2]" 1
507 1 64 ARG H 1 65 TYR QB 7.860 . 8.360 4.109 3.793 4.706 . 0 0 "[ . 1 . 2]" 1
508 1 76 LEU QB 1 77 GLY H . . 5.550 2.726 2.571 2.871 . 0 0 "[ . 1 . 2]" 1
509 1 75 TYR QD 1 76 LEU QB 6.930 . 7.430 4.677 4.236 5.024 . 0 0 "[ . 1 . 2]" 1
510 1 24 TYR QE 1 76 LEU QB . . 4.910 2.866 2.210 3.479 . 0 0 "[ . 1 . 2]" 1
511 1 56 ILE HB 1 57 ASN H . . 5.000 4.093 3.978 4.145 . 0 0 "[ . 1 . 2]" 1
512 1 56 ILE HB 1 59 MET H 6.610 . 7.110 4.380 4.186 4.706 . 0 0 "[ . 1 . 2]" 1
513 1 22 PHE QE 1 86 ILE HB 6.170 . 6.670 2.483 2.186 2.770 . 0 0 "[ . 1 . 2]" 1
514 1 86 ILE HB 1 88 PHE QD 6.170 . 6.670 3.442 2.844 3.985 . 0 0 "[ . 1 . 2]" 1
515 1 73 LEU QB 1 74 GLU H 6.170 . 6.670 2.720 2.627 2.793 . 0 0 "[ . 1 . 2]" 1
516 1 60 ASP QB 1 61 VAL QG 8.580 . 9.080 4.561 4.428 4.926 . 0 0 "[ . 1 . 2]" 1
517 1 61 VAL QG 1 62 ASN QB 9.340 . 9.840 4.594 4.079 4.742 . 0 0 "[ . 1 . 2]" 1
518 1 32 LEU HG 1 34 ASP QB 11.370 . 11.870 4.512 4.029 4.628 . 0 0 "[ . 1 . 2]" 1
519 1 72 VAL QG 1 75 TYR QB 8.580 . 9.080 3.368 3.052 3.653 . 0 0 "[ . 1 . 2]" 1
520 1 24 TYR QB 1 82 TYR QD 6.930 . 7.430 2.986 2.280 3.168 . 0 0 "[ . 1 . 2]" 1
521 1 61 VAL HA 1 62 ASN QB 7.410 . 7.910 3.757 3.660 3.851 . 0 0 "[ . 1 . 2]" 1
522 1 34 ASP QB 1 36 ARG QB 6.930 . 7.430 3.839 3.168 4.446 . 0 0 "[ . 1 . 2]" 1
523 1 12 TYR QB 1 13 ALA MB 7.410 . 7.910 4.496 3.642 4.915 . 0 0 "[ . 1 . 2]" 1
524 1 70 LYS QD 1 75 TYR QB 6.360 . 6.860 3.773 3.563 3.984 . 0 0 "[ . 1 . 2]" 1
525 1 81 ASN QB 1 82 TYR QD 6.930 . 7.430 5.042 4.388 5.559 . 0 0 "[ . 1 . 2]" 1
526 1 78 ASN QB 1 81 ASN QB 8.820 . 9.320 3.081 2.502 4.772 . 0 0 "[ . 1 . 2]" 1
527 1 65 TYR QD 1 71 GLU QG 5.670 . 6.170 3.458 2.790 3.907 . 0 0 "[ . 1 . 2]" 1
528 1 64 ARG HE 1 71 GLU QG 6.170 . 6.670 4.480 3.045 5.497 . 0 0 "[ . 1 . 2]" 1
529 1 71 GLU QG 1 72 VAL H 5.050 . 5.550 2.916 2.525 4.259 . 0 0 "[ . 1 . 2]" 1
530 1 71 GLU QG 1 73 LEU H 6.170 . 6.670 2.824 2.094 5.171 . 0 0 "[ . 1 . 2]" 1
531 1 32 LEU QD 1 71 GLU QG 10.490 . 10.990 3.206 2.437 4.497 . 0 0 "[ . 1 . 2]" 1
532 1 64 ARG QG 1 71 GLU QG 6.930 . 7.430 3.742 2.978 4.162 . 0 0 "[ . 1 . 2]" 1
533 1 64 ARG HA 1 71 GLU QG 7.780 . 8.280 4.623 4.109 6.032 . 0 0 "[ . 1 . 2]" 1
534 1 31 LYS QB 1 38 LEU H 6.170 . 6.670 4.834 4.716 4.906 . 0 0 "[ . 1 . 2]" 1
535 1 20 LYS QB 1 22 PHE QE 8.820 . 9.320 2.702 2.284 5.067 . 0 0 "[ . 1 . 2]" 1
536 1 31 LYS QB 1 32 LEU HA 6.170 . 6.670 4.778 4.590 4.913 . 0 0 "[ . 1 . 2]" 1
537 1 30 LEU HA 1 31 LYS QB 5.050 . 5.550 4.324 4.145 4.465 . 0 0 "[ . 1 . 2]" 1
538 1 57 ASN QB 1 58 GLY H . . 5.550 3.944 3.864 4.101 . 0 0 "[ . 1 . 2]" 1
539 1 17 GLU QG 1 89 GLY H 6.930 . 7.430 4.178 2.554 5.330 . 0 0 "[ . 1 . 2]" 1
540 1 74 GLU QG 1 77 GLY H . . 6.670 5.087 4.783 5.548 . 0 0 "[ . 1 . 2]" 1
541 1 74 GLU QG 1 75 TYR H . . 5.550 3.872 3.666 4.169 . 0 0 "[ . 1 . 2]" 1
542 1 34 ASP HA 1 35 GLU QG 6.170 . 6.670 3.653 3.364 4.017 . 0 0 "[ . 1 . 2]" 1
543 1 24 TYR QE 1 84 VAL HB 7.410 . 7.910 4.158 3.710 4.415 . 0 0 "[ . 1 . 2]" 1
544 1 25 PRO QB 1 82 TYR QE 6.930 . 7.430 4.929 3.649 5.514 . 0 0 "[ . 1 . 2]" 1
545 1 36 ARG QB 1 37 VAL H 6.170 . 6.670 2.502 2.071 3.027 . 0 0 "[ . 1 . 2]" 1
546 1 42 GLY QA 1 43 GLN QG 7.410 . 7.910 4.064 3.072 5.544 . 0 0 "[ . 1 . 2]" 1
547 1 51 HIS QB 1 88 PHE QD 6.930 . 7.430 2.954 2.222 3.923 . 0 0 "[ . 1 . 2]" 1
548 1 39 VAL QG 1 51 HIS QB 8.320 . 8.820 2.548 2.223 3.043 . 0 0 "[ . 1 . 2]" 1
549 1 38 LEU QB 1 51 HIS QB 8.070 . 8.570 4.108 3.997 4.309 . 0 0 "[ . 1 . 2]" 1
550 1 17 GLU QG 1 51 HIS QB 7.410 . 7.910 3.171 2.353 3.722 . 0 0 "[ . 1 . 2]" 1
551 1 52 ALA HA 1 53 VAL HB 5.500 . 6.000 4.722 4.440 4.948 . 0 0 "[ . 1 . 2]" 1
552 1 31 LYS QG 1 33 HIS QB 8.320 . 8.820 2.919 2.306 3.700 . 0 0 "[ . 1 . 2]" 1
553 1 32 LEU HA 1 33 HIS QB 6.170 . 6.670 4.167 3.971 4.373 . 0 0 "[ . 1 . 2]" 1
554 1 33 HIS QB 1 34 ASP H 6.170 . 6.670 3.642 3.096 3.798 . 0 0 "[ . 1 . 2]" 1
555 1 64 ARG QB 1 65 TYR QE . . 7.430 4.498 4.251 4.790 . 0 0 "[ . 1 . 2]" 1
556 1 59 MET QG 1 60 ASP H 6.170 . 6.670 4.479 4.138 4.794 . 0 0 "[ . 1 . 2]" 1
557 1 39 VAL HB 1 51 HIS H . . 4.000 2.687 2.307 2.928 . 0 0 "[ . 1 . 2]" 1
558 1 58 GLY QA 1 59 MET QG 7.410 . 7.910 4.035 3.726 4.270 . 0 0 "[ . 1 . 2]" 1
559 1 57 ASN QB 1 59 MET QG 7.780 . 8.280 3.545 3.102 4.140 . 0 0 "[ . 1 . 2]" 1
560 1 63 GLY QA 1 64 ARG QB 8.820 . 9.320 4.003 3.776 4.159 . 0 0 "[ . 1 . 2]" 1
561 1 78 ASN HA 1 79 PRO QB 6.170 . 6.670 4.695 4.653 4.718 . 0 0 "[ . 1 . 2]" 1
562 1 24 TYR QD 1 79 PRO QB 6.930 . 7.430 5.540 5.503 5.561 . 0 0 "[ . 1 . 2]" 1
563 1 79 PRO QB 1 82 TYR QE . . 6.170 3.126 2.822 3.268 . 0 0 "[ . 1 . 2]" 1
564 1 79 PRO QB 1 82 TYR QD 6.930 . 7.430 3.441 3.235 4.103 . 0 0 "[ . 1 . 2]" 1
565 1 74 GLU QB 1 77 GLY H 6.170 . 6.670 4.877 4.677 5.017 . 0 0 "[ . 1 . 2]" 1
566 1 65 TYR QE 1 71 GLU QB 6.930 . 7.430 2.965 2.339 4.524 . 0 0 "[ . 1 . 2]" 1
567 1 65 TYR QD 1 71 GLU QB 6.930 . 7.430 3.211 2.653 4.602 . 0 0 "[ . 1 . 2]" 1
568 1 71 GLU QB 1 72 VAL H 6.170 . 6.670 3.692 3.064 3.869 . 0 0 "[ . 1 . 2]" 1
569 1 71 GLU QB 1 73 LEU H 6.170 . 6.670 3.904 3.010 4.240 . 0 0 "[ . 1 . 2]" 1
570 1 71 GLU QB 1 74 GLU H 6.170 . 6.670 3.023 2.728 3.418 . 0 0 "[ . 1 . 2]" 1
571 1 70 LYS QD 1 75 TYR QE 5.670 . 6.170 4.514 4.261 4.555 . 0 0 "[ . 1 . 2]" 1
572 1 68 ASP H 1 70 LYS QD 6.930 . 7.430 5.030 3.705 5.524 . 0 0 "[ . 1 . 2]" 1
573 1 31 LYS QD 1 32 LEU H 5.050 . 5.550 3.903 3.156 4.530 . 0 0 "[ . 1 . 2]" 1
574 1 70 LYS QD 1 71 GLU H 5.050 . 5.550 4.070 3.821 4.538 . 0 0 "[ . 1 . 2]" 1
575 1 31 LYS QD 1 37 VAL HA 5.050 . 5.550 4.412 4.191 4.531 . 0 0 "[ . 1 . 2]" 1
576 1 56 ILE QG 1 86 ILE HA 5.050 . 5.550 3.286 3.050 3.498 . 0 0 "[ . 1 . 2]" 1
577 1 86 ILE H 1 86 ILE QG . . 4.430 2.887 2.723 2.976 . 0 0 "[ . 1 . 2]" 1
578 1 56 ILE QG 1 57 ASN H 6.170 . 6.670 4.193 4.065 4.322 . 0 0 "[ . 1 . 2]" 1
579 1 30 LEU HG 1 31 LYS H 5.500 . 6.000 4.560 3.592 5.215 . 0 0 "[ . 1 . 2]" 1
580 1 70 LYS QG 1 71 GLU H 6.170 . 6.670 4.662 3.726 4.863 . 0 0 "[ . 1 . 2]" 1
581 1 64 ARG QG 1 65 TYR QD 5.670 . 6.170 2.900 2.469 3.625 . 0 0 "[ . 1 . 2]" 1
582 1 64 ARG QG 1 65 TYR QE 6.930 . 7.430 2.758 2.270 3.049 . 0 0 "[ . 1 . 2]" 1
583 1 70 LYS QG 1 75 TYR QD 6.930 . 7.430 2.424 2.217 2.769 . 0 0 "[ . 1 . 2]" 1
584 1 31 LYS QG 1 32 LEU H . . 5.550 3.843 3.175 4.473 . 0 0 "[ . 1 . 2]" 1
585 1 31 LYS QG 1 38 LEU H 6.170 . 6.670 3.935 3.516 4.234 . 0 0 "[ . 1 . 2]" 1
586 1 30 LEU HA 1 31 LYS QG 6.170 . 6.670 4.508 3.466 5.511 . 0 0 "[ . 1 . 2]" 1
587 1 31 LYS QG 1 32 LEU HA 6.170 . 6.670 4.798 4.111 5.352 . 0 0 "[ . 1 . 2]" 1
588 1 51 HIS QB 1 52 ALA MB 8.320 . 8.820 3.978 3.802 4.152 . 0 0 "[ . 1 . 2]" 1
589 1 52 ALA MB 1 88 PHE QB 7.410 . 7.910 4.748 4.373 5.264 . 0 0 "[ . 1 . 2]" 1
590 1 51 HIS QB 1 52 ALA MB 7.930 . 8.430 3.839 3.746 3.943 . 0 0 "[ . 1 . 2]" 1
591 1 39 VAL QG 1 52 ALA H 7.410 . 7.910 4.522 3.957 5.050 . 0 0 "[ . 1 . 2]" 1
592 1 21 THR MG 1 57 ASN H 9.440 . 9.940 4.720 4.626 4.875 . 0 0 "[ . 1 . 2]" 1
593 1 51 HIS HD2 1 52 ALA MB 6.610 . 7.110 5.427 4.793 5.539 . 0 0 "[ . 1 . 2]" 1
594 1 52 ALA MB 1 88 PHE QD 9.440 . 9.940 5.437 4.473 6.229 . 0 0 "[ . 1 . 2]" 1
595 1 53 VAL QG 1 88 PHE HA 7.410 . 7.910 3.719 3.440 4.005 . 0 0 "[ . 1 . 2]" 1
596 1 52 ALA HA 1 53 VAL QG 7.410 . 7.910 3.694 3.456 3.953 . 0 0 "[ . 1 . 2]" 1
597 1 22 PHE H 1 84 VAL QG 7.410 . 7.910 3.188 2.779 3.794 . 0 0 "[ . 1 . 2]" 1
598 1 38 LEU H 1 40 ALA MB 6.610 . 7.110 5.191 4.819 5.511 . 0 0 "[ . 1 . 2]" 1
599 1 41 PHE QD 1 49 VAL QG 8.320 . 8.820 3.521 2.675 4.045 . 0 0 "[ . 1 . 2]" 1
600 1 16 ALA MB 1 90 ARG H 6.610 . 7.110 4.135 2.211 5.527 . 0 0 "[ . 1 . 2]" 1
601 1 53 VAL HB 1 86 ILE MG 5.400 . 5.900 4.106 2.899 4.546 . 0 0 "[ . 1 . 2]" 1
602 1 22 PHE QE 1 86 ILE MG 7.410 . 7.910 3.763 3.240 4.036 . 0 0 "[ . 1 . 2]" 1
603 1 22 PHE QD 1 86 ILE MG 7.930 . 8.430 3.405 3.274 3.819 . 0 0 "[ . 1 . 2]" 1
604 1 54 LEU H 1 86 ILE MG 6.610 . 7.110 3.729 3.495 4.152 . 0 0 "[ . 1 . 2]" 1
605 1 62 ASN QB 1 67 ALA MB 10.590 . 11.090 3.634 3.532 3.681 . 0 0 "[ . 1 . 2]" 1
606 1 61 VAL H 1 67 ALA MB 6.610 . 7.110 5.455 5.082 5.526 . 0 0 "[ . 1 . 2]" 1
607 1 78 ASN HA 1 80 ALA MB 6.610 . 7.110 4.913 4.851 5.061 . 0 0 "[ . 1 . 2]" 1
608 1 80 ALA MB 1 81 ASN QD 7.410 . 7.910 5.286 3.607 5.538 . 0 0 "[ . 1 . 2]" 1
609 1 56 ILE MG 1 75 TYR HA 8.410 . 8.910 6.375 6.143 6.645 . 0 0 "[ . 1 . 2]" 1
610 1 56 ILE MG 1 85 SER QB 8.320 . 8.820 4.698 4.408 4.866 . 0 0 "[ . 1 . 2]" 1
611 1 56 ILE MG 1 58 GLY H . . 5.900 4.534 4.463 4.560 . 0 0 "[ . 1 . 2]" 1
612 1 53 VAL HA 1 56 ILE MD 7.410 . 7.910 5.075 4.817 5.307 . 0 0 "[ . 1 . 2]" 1
613 1 56 ILE MD 1 73 LEU HA 7.410 . 7.910 5.096 4.775 5.312 . 0 0 "[ . 1 . 2]" 1
614 1 56 ILE MD 1 61 VAL HA 6.610 . 7.110 5.330 4.958 5.522 . 0 0 "[ . 1 . 2]" 1
615 1 56 ILE MD 1 76 LEU H 5.400 . 5.900 4.399 4.179 4.487 . 0 0 "[ . 1 . 2]" 1
616 1 54 LEU H 1 56 ILE MD 8.900 . 9.400 4.500 4.321 4.663 . 0 0 "[ . 1 . 2]" 1
617 1 86 ILE H 1 86 ILE MD 5.400 . 5.900 4.230 3.736 4.367 . 0 0 "[ . 1 . 2]" 1
618 1 57 ASN H 1 86 ILE MD 6.610 . 7.110 5.059 3.281 5.463 . 0 0 "[ . 1 . 2]" 1
619 1 11 SER QB 1 12 TYR QE 6.930 . 7.430 4.760 3.612 5.527 . 0 0 "[ . 1 . 2]" 1
620 1 11 SER QB 1 12 TYR QB 6.930 . 7.430 4.298 2.955 4.929 . 0 0 "[ . 1 . 2]" 1
621 1 17 GLU HA 1 32 LEU QD 6.020 . 6.520 3.059 2.511 3.301 . 0 0 "[ . 1 . 2]" 1
622 1 21 THR HA 1 86 ILE H . . 5.000 3.579 3.072 3.831 . 0 0 "[ . 1 . 2]" 1
623 1 31 LYS QD 1 38 LEU H 6.170 . 6.670 3.124 2.846 3.599 . 0 0 "[ . 1 . 2]" 1
624 1 32 LEU QB 1 37 VAL HA 6.170 . 6.670 4.168 3.772 4.479 . 0 0 "[ . 1 . 2]" 1
625 1 34 ASP HA 1 36 ARG H 5.500 . 6.000 4.371 4.245 4.486 . 0 0 "[ . 1 . 2]" 1
626 1 34 ASP QB 1 38 LEU QD 10.490 . 10.990 3.614 2.805 4.293 . 0 0 "[ . 1 . 2]" 1
627 1 35 GLU QB 1 36 ARG H 6.170 . 6.670 3.817 3.643 4.154 . 0 0 "[ . 1 . 2]" 1
628 1 34 ASP HA 1 35 GLU QB 9.900 . 10.400 4.192 3.976 4.371 . 0 0 "[ . 1 . 2]" 1
629 1 32 LEU QD 1 35 GLU QB 9.580 . 10.080 3.816 3.386 4.016 . 0 0 "[ . 1 . 2]" 1
630 1 32 LEU QD 1 35 GLU QB 8.320 . 8.820 3.858 3.411 4.064 . 0 0 "[ . 1 . 2]" 1
631 1 35 GLU QG 1 36 ARG H 6.170 . 6.670 4.676 3.988 4.845 . 0 0 "[ . 1 . 2]" 1
632 1 32 LEU QD 1 35 GLU QG 7.750 . 8.250 3.837 3.205 4.388 . 0 0 "[ . 1 . 2]" 1
633 1 36 ARG H 1 37 VAL HA 5.500 . 6.000 4.762 4.543 4.910 . 0 0 "[ . 1 . 2]" 1
634 1 37 VAL HA 1 38 LEU HA 6.170 . 6.670 4.381 4.270 4.458 . 0 0 "[ . 1 . 2]" 1
635 1 38 LEU HA 1 39 VAL HA 5.500 . 6.000 4.438 4.401 4.470 . 0 0 "[ . 1 . 2]" 1
636 1 38 LEU HA 1 40 ALA HA 6.610 . 7.110 4.675 4.232 5.000 . 0 0 "[ . 1 . 2]" 1
637 1 39 VAL HB 1 50 GLY H . . 4.000 2.746 2.407 3.165 . 0 0 "[ . 1 . 2]" 1
638 1 38 LEU HA 1 39 VAL HB 5.500 . 6.000 4.702 4.542 4.849 . 0 0 "[ . 1 . 2]" 1
639 1 40 ALA MB 1 41 PHE QD 7.410 . 7.910 4.388 2.347 5.242 . 0 0 "[ . 1 . 2]" 1
640 1 39 VAL QG 1 41 PHE HA 7.410 . 7.910 3.550 3.161 4.220 . 0 0 "[ . 1 . 2]" 1
641 1 29 LEU QB 1 41 PHE HA 6.170 . 6.670 4.585 4.166 5.238 . 0 0 "[ . 1 . 2]" 1
642 1 29 LEU QB 1 41 PHE HA 5.400 . 5.900 4.041 2.498 4.411 . 0 0 "[ . 1 . 2]" 1
643 1 39 VAL QG 1 42 GLY QA 6.810 . 7.310 2.829 2.250 4.512 . 0 0 "[ . 1 . 2]" 1
644 1 43 GLN QE 1 49 VAL QG 8.320 . 8.820 4.023 1.956 5.527 . 0 0 "[ . 1 . 2]" 1
645 1 51 HIS HA 1 52 ALA HA 6.170 . 6.670 4.359 4.289 4.441 . 0 0 "[ . 1 . 2]" 1
646 1 51 HIS QB 1 52 ALA HA 6.610 . 7.110 3.911 3.785 4.000 . 0 0 "[ . 1 . 2]" 1
647 1 52 ALA HA 1 53 VAL HA 5.500 . 6.000 4.440 4.323 4.478 . 0 0 "[ . 1 . 2]" 1
648 1 51 HIS HA 1 53 VAL HA 6.170 . 6.670 4.441 4.403 4.479 . 0 0 "[ . 1 . 2]" 1
649 1 53 VAL HA 1 88 PHE QB 6.170 . 6.670 2.936 2.135 4.172 . 0 0 "[ . 1 . 2]" 1
650 1 70 LYS QB 1 75 TYR QD 6.930 . 7.430 2.685 2.437 2.927 . 0 0 "[ . 1 . 2]" 1
651 1 54 LEU QB 1 55 ALA H . . 5.550 2.869 2.643 3.087 . 0 0 "[ . 1 . 2]" 1
652 1 56 ILE HA 1 86 ILE QG 6.170 . 6.670 3.262 2.942 4.800 . 0 0 "[ . 1 . 2]" 1
653 1 56 ILE MG 1 76 LEU HG 6.610 . 7.110 3.573 3.087 3.884 . 0 0 "[ . 1 . 2]" 1
654 1 55 ALA H 1 56 ILE MD 9.340 . 9.840 4.247 4.025 4.433 . 0 0 "[ . 1 . 2]" 1
655 1 57 ASN QB 1 85 SER QB 6.930 . 7.430 4.365 3.505 4.859 . 0 0 "[ . 1 . 2]" 1
656 1 51 HIS HD2 1 89 GLY QA 6.170 . 6.670 3.024 2.390 4.589 . 0 0 "[ . 1 . 2]" 1
657 1 59 MET QG 1 66 THR MG 7.410 . 7.910 4.714 3.837 5.533 . 0 0 "[ . 1 . 2]" 1
658 1 58 GLY QA 1 59 MET QG 6.930 . 7.430 4.128 3.765 4.373 . 0 0 "[ . 1 . 2]" 1
659 1 61 VAL HA 1 62 ASN HA 5.500 . 6.000 4.441 4.375 4.470 . 0 0 "[ . 1 . 2]" 1
660 1 59 MET HA 1 61 VAL HA 7.000 . 7.500 6.236 5.779 6.692 . 0 0 "[ . 1 . 2]" 1
661 1 55 ALA MB 1 61 VAL HA 6.610 . 7.110 5.466 5.346 5.558 . 0 0 "[ . 1 . 2]" 1
662 1 59 MET QG 1 66 THR HB 7.860 . 8.360 4.295 3.511 5.434 . 0 0 "[ . 1 . 2]" 1
663 1 67 ALA MB 1 68 ASP HA 6.610 . 7.110 3.938 3.899 3.962 . 0 0 "[ . 1 . 2]" 1
664 1 70 LYS QE 1 71 GLU H 7.860 . 8.360 5.538 2.966 6.125 . 0 0 "[ . 1 . 2]" 1
665 1 11 SER HA 1 13 ALA MB 8.070 . 8.570 4.391 4.055 4.822 . 0 0 "[ . 1 . 2]" 1
666 1 72 VAL H 1 73 LEU HA 5.500 . 6.000 5.495 5.417 5.554 . 0 0 "[ . 1 . 2]" 1
667 1 73 LEU QB 1 74 GLU QB . . 8.280 3.609 3.158 3.943 . 0 0 "[ . 1 . 2]" 1
668 1 73 LEU H 1 74 GLU HA 5.500 . 6.000 5.348 5.255 5.376 . 0 0 "[ . 1 . 2]" 1
669 1 74 GLU HA 1 78 ASN H 5.500 . 6.000 4.082 3.768 4.876 . 0 0 "[ . 1 . 2]" 1
670 1 73 LEU QB 1 74 GLU HA 6.170 . 6.670 4.005 3.941 4.100 . 0 0 "[ . 1 . 2]" 1
671 1 74 GLU HA 1 75 TYR QB 7.860 . 8.360 5.187 5.157 5.253 . 0 0 "[ . 1 . 2]" 1
672 1 73 LEU QD 1 74 GLU HA 7.410 . 7.910 5.253 5.156 5.309 . 0 0 "[ . 1 . 2]" 1
673 1 71 GLU H 1 74 GLU QB 6.170 . 6.670 3.461 3.135 3.923 . 0 0 "[ . 1 . 2]" 1
674 1 71 GLU H 1 74 GLU QG 6.170 . 6.670 4.829 4.338 5.376 . 0 0 "[ . 1 . 2]" 1
675 1 74 GLU H 1 75 TYR HA 5.500 . 6.000 5.145 5.081 5.356 . 0 0 "[ . 1 . 2]" 1
676 1 75 TYR QD 1 76 LEU HG . . 5.550 3.006 2.659 3.428 . 0 0 "[ . 1 . 2]" 1
677 1 77 GLY QA 1 78 ASN HA 6.170 . 6.670 4.153 4.089 4.196 . 0 0 "[ . 1 . 2]" 1
678 1 73 LEU QB 1 77 GLY QA . . 9.230 3.571 3.451 3.670 . 0 0 "[ . 1 . 2]" 1
679 1 24 TYR H 1 79 PRO HA 7.000 . 7.500 6.330 5.860 6.885 . 0 0 "[ . 1 . 2]" 1
680 1 24 TYR QB 1 79 PRO QB 6.930 . 7.430 4.970 4.323 5.347 . 0 0 "[ . 1 . 2]" 1
681 1 79 PRO QG 1 80 ALA HA 6.170 . 6.670 4.505 4.040 4.584 . 0 0 "[ . 1 . 2]" 1
682 1 78 ASN H 1 81 ASN QB 9.440 . 9.940 3.272 2.915 4.157 . 0 0 "[ . 1 . 2]" 1
683 1 57 ASN QD 1 84 VAL HB 6.170 . 6.670 3.723 2.719 4.604 . 0 0 "[ . 1 . 2]" 1
684 1 57 ASN HA 1 85 SER HA 5.500 . 6.000 5.276 5.068 5.474 . 0 0 "[ . 1 . 2]" 1
685 1 21 THR HA 1 85 SER QB 6.170 . 6.670 3.725 3.528 3.994 . 0 0 "[ . 1 . 2]" 1
686 1 54 LEU QD 1 90 ARG QB 8.320 . 8.820 4.565 4.047 5.012 . 0 0 "[ . 1 . 2]" 1
687 1 72 VAL HA 1 76 LEU H 5.500 . 6.000 3.782 3.630 3.887 . 0 0 "[ . 1 . 2]" 1
688 1 76 LEU HA 1 77 GLY H 6.610 . 7.110 2.886 2.637 3.326 . 0 0 "[ . 1 . 2]" 1
689 1 22 PHE QD 1 86 ILE MD 7.410 . 7.910 2.957 2.357 3.794 . 0 0 "[ . 1 . 2]" 1
690 1 24 TYR H 1 82 TYR QD 5.050 . 5.550 3.276 2.420 3.786 . 0 0 "[ . 1 . 2]" 1
691 1 81 ASN H 1 82 TYR QD 6.170 . 6.670 4.191 3.750 4.405 . 0 0 "[ . 1 . 2]" 1
692 1 24 TYR QD 1 82 TYR QD 6.930 . 7.430 2.851 2.412 4.028 . 0 0 "[ . 1 . 2]" 1
693 1 75 TYR QD 1 76 LEU H . . 5.550 3.665 3.183 3.981 . 0 0 "[ . 1 . 2]" 1
694 1 75 TYR H 1 75 TYR QD . . 5.550 4.151 4.100 4.192 . 0 0 "[ . 1 . 2]" 1
695 1 75 TYR QD 1 81 ASN QD . . 6.170 3.057 2.732 3.837 . 0 0 "[ . 1 . 2]" 1
696 1 65 TYR QD 1 66 THR H . . 5.550 4.150 3.852 4.453 . 0 0 "[ . 1 . 2]" 1
697 1 65 TYR QD 1 71 GLU H . . 5.550 3.673 3.311 4.293 . 0 0 "[ . 1 . 2]" 1
698 1 62 ASN H 1 65 TYR QD 6.930 . 7.430 4.071 3.773 4.557 . 0 0 "[ . 1 . 2]" 1
699 1 64 ARG H 1 65 TYR QD 6.170 . 6.670 3.333 2.301 4.421 . 0 0 "[ . 1 . 2]" 1
700 1 65 TYR H 1 65 TYR QD . . 4.430 3.085 2.677 3.437 . 0 0 "[ . 1 . 2]" 1
701 1 65 TYR QD 1 70 LYS H 6.170 . 6.670 5.132 4.698 5.501 . 0 0 "[ . 1 . 2]" 1
702 1 12 TYR H 1 12 TYR QD . . 4.430 2.633 2.043 3.610 . 0 0 "[ . 1 . 2]" 1
703 1 12 TYR QD 1 13 ALA H . . 5.550 3.219 2.698 3.974 . 0 0 "[ . 1 . 2]" 1
704 1 62 ASN QD 1 65 TYR QD 8.820 . 9.320 3.383 2.646 4.184 . 0 0 "[ . 1 . 2]" 1
705 1 81 ASN HA 1 82 TYR QD 7.860 . 8.360 5.574 4.205 5.883 . 0 0 "[ . 1 . 2]" 1
706 1 23 SER QB 1 82 TYR QD 7.780 . 8.280 3.771 3.596 4.079 . 0 0 "[ . 1 . 2]" 1
707 1 65 TYR QD 1 70 LYS HA 6.170 . 6.670 4.440 3.806 4.949 . 0 0 "[ . 1 . 2]" 1
708 1 64 ARG HA 1 65 TYR QD 7.410 . 7.910 3.837 3.520 4.094 . 0 0 "[ . 1 . 2]" 1
709 1 22 PHE QB 1 24 TYR QD 7.410 . 7.910 4.214 3.632 4.600 . 0 0 "[ . 1 . 2]" 1
710 1 24 TYR QD 1 76 LEU QB 6.930 . 7.430 4.375 3.324 4.899 . 0 0 "[ . 1 . 2]" 1
711 1 24 TYR QD 1 25 PRO QB 7.780 . 8.280 4.603 3.701 5.039 . 0 0 "[ . 1 . 2]" 1
712 1 24 TYR HA 1 82 TYR QD 7.410 . 7.910 3.828 3.084 4.111 . 0 0 "[ . 1 . 2]" 1
713 1 74 GLU QB 1 75 TYR QD 7.780 . 8.280 4.924 4.677 5.292 . 0 0 "[ . 1 . 2]" 1
714 1 75 TYR QD 1 81 ASN QB 6.930 . 7.430 4.504 3.303 5.383 . 0 0 "[ . 1 . 2]" 1
715 1 76 LEU QB 1 82 TYR QD 8.320 . 8.820 4.555 4.207 4.980 . 0 0 "[ . 1 . 2]" 1
716 1 65 TYR QD 1 71 GLU QB 6.360 . 6.860 2.842 2.535 3.085 . 0 0 "[ . 1 . 2]" 1
717 1 12 TYR QD 1 13 ALA MB 7.410 . 7.910 4.207 2.357 5.235 . 0 0 "[ . 1 . 2]" 1
718 1 64 ARG QB 1 65 TYR QD 7.780 . 8.280 2.862 2.457 3.522 . 0 0 "[ . 1 . 2]" 1
719 1 76 LEU QB 1 82 TYR QD 9.900 . 10.400 4.550 4.151 5.652 . 0 0 "[ . 1 . 2]" 1
720 1 56 ILE MG 1 75 TYR QD 5.670 . 6.170 2.482 2.186 2.691 . 0 0 "[ . 1 . 2]" 1
721 1 65 TYR QD 1 72 VAL QG 7.640 . 8.140 4.573 4.172 4.866 . 0 0 "[ . 1 . 2]" 1
722 1 24 TYR QD 1 76 LEU QD 8.730 . 9.230 4.194 3.482 4.443 . 0 0 "[ . 1 . 2]" 1
723 1 82 TYR QD 1 84 VAL QG 8.320 . 8.820 4.724 4.221 5.195 . 0 0 "[ . 1 . 2]" 1
724 1 22 PHE QE 1 86 ILE H . . 5.550 3.557 2.894 4.510 . 0 0 "[ . 1 . 2]" 1
725 1 41 PHE QD 1 42 GLY H 6.170 . 6.670 3.368 2.658 4.072 . 0 0 "[ . 1 . 2]" 1
726 1 20 LYS QB 1 22 PHE QE 7.410 . 7.910 2.248 2.022 2.497 . 0 0 "[ . 1 . 2]" 1
727 1 24 TYR H 1 82 TYR QE 5.050 . 5.550 4.525 4.421 4.583 . 0 0 "[ . 1 . 2]" 1
728 1 57 ASN QD 1 75 TYR QE 6.930 . 7.430 2.627 2.372 2.956 . 0 0 "[ . 1 . 2]" 1
729 1 64 ARG HE 1 65 TYR QE . . 4.430 2.903 2.387 3.307 . 0 0 "[ . 1 . 2]" 1
730 1 11 SER H 1 12 TYR QE 6.930 . 7.430 4.251 3.351 5.598 . 0 0 "[ . 1 . 2]" 1
731 1 64 ARG H 1 65 TYR QE 6.170 . 6.670 4.479 2.990 5.122 . 0 0 "[ . 1 . 2]" 1
732 1 65 TYR QE 1 72 VAL H 7.860 . 8.360 5.419 5.171 5.814 . 0 0 "[ . 1 . 2]" 1
733 1 65 TYR QE 1 71 GLU H 6.170 . 6.670 4.693 4.030 5.347 . 0 0 "[ . 1 . 2]" 1
734 1 24 TYR QE 1 76 LEU HA 5.670 . 6.170 3.623 3.026 4.450 . 0 0 "[ . 1 . 2]" 1
735 1 25 PRO HA 1 82 TYR QE 6.070 . 6.570 2.937 2.309 3.938 . 0 0 "[ . 1 . 2]" 1
736 1 75 TYR QE 1 81 ASN QB 5.670 . 6.170 4.186 2.813 4.549 . 0 0 "[ . 1 . 2]" 1
737 1 56 ILE QG 1 75 TYR QE 7.140 . 7.640 4.194 4.034 4.342 . 0 0 "[ . 1 . 2]" 1
738 1 64 ARG QB 1 65 TYR QE 6.360 . 6.860 2.732 2.263 3.010 . 0 0 "[ . 1 . 2]" 1
739 1 65 TYR QE 1 71 GLU QB 4.950 . 5.450 2.533 2.252 3.010 . 0 0 "[ . 1 . 2]" 1
740 1 24 TYR QE 1 66 THR MG 4.540 . 5.040 2.462 2.115 2.548 . 0 0 "[ . 1 . 2]" 1
741 1 51 HIS HD2 1 52 ALA H 5.500 . 6.000 3.926 3.339 4.238 . 0 0 "[ . 1 . 2]" 1
742 1 51 HIS HD2 1 89 GLY H 6.170 . 6.670 3.397 3.008 4.364 . 0 0 "[ . 1 . 2]" 1
743 1 51 HIS H 1 51 HIS HD2 5.500 . 6.000 4.910 3.631 5.398 . 0 0 "[ . 1 . 2]" 1
744 1 51 HIS HD2 1 88 PHE QD 6.170 . 6.670 4.902 3.357 5.545 . 0 0 "[ . 1 . 2]" 1
745 1 39 VAL QG 1 51 HIS HD2 8.320 . 8.820 4.817 4.349 5.259 . 0 0 "[ . 1 . 2]" 1
746 1 51 HIS HD2 1 91 PRO QG 7.860 . 8.360 6.283 4.879 7.020 . 0 0 "[ . 1 . 2]" 1
747 1 24 TYR QE 1 76 LEU HG 5.670 . 6.170 4.494 4.198 4.572 . 0 0 "[ . 1 . 2]" 1
748 1 70 LYS HA 1 75 TYR QD 6.930 . 7.430 5.021 4.756 5.193 . 0 0 "[ . 1 . 2]" 1
749 1 34 ASP H 1 35 GLU H 4.500 . 5.000 2.912 2.765 3.051 . 0 0 "[ . 1 . 2]" 1
750 1 57 ASN H 1 58 GLY H 3.500 . 4.000 2.918 2.838 3.062 . 0 0 "[ . 1 . 2]" 1
751 1 57 ASN H 1 86 ILE HA 4.500 . 5.000 3.492 3.239 3.662 . 0 0 "[ . 1 . 2]" 1
752 1 71 GLU QB 1 72 VAL H 5.670 . 6.170 2.723 2.487 3.223 . 0 0 "[ . 1 . 2]" 1
753 1 72 VAL H 1 72 VAL HB 3.500 . 4.000 2.534 2.213 3.584 . 0 0 "[ . 1 . 2]" 1
754 1 72 VAL H 1 73 LEU H . . 4.000 2.951 2.828 3.083 . 0 0 "[ . 1 . 2]" 1
755 1 59 MET HA 1 60 ASP H 2.500 . 3.000 2.166 2.129 2.227 . 0 0 "[ . 1 . 2]" 1
756 1 85 SER H 1 86 ILE H 4.500 . 5.000 4.410 4.285 4.571 . 0 0 "[ . 1 . 2]" 1
757 1 29 LEU HA 1 30 LEU H 2.500 . 3.000 2.307 2.182 2.411 . 0 0 "[ . 1 . 2]" 1
758 1 54 LEU H 1 55 ALA H . . 3.000 1.981 1.902 2.058 . 0 0 "[ . 1 . 2]" 1
759 1 31 LYS H 1 38 LEU H 3.500 . 4.000 2.695 2.603 2.805 . 0 0 "[ . 1 . 2]" 1
760 1 30 LEU QB 1 38 LEU H 4.580 . 5.080 2.790 2.530 3.170 . 0 0 "[ . 1 . 2]" 1
761 1 33 HIS H 1 36 ARG H 3.500 . 4.000 3.002 2.807 3.223 . 0 0 "[ . 1 . 2]" 1
762 1 32 LEU HA 1 33 HIS H 2.500 . 3.000 2.218 2.155 2.249 . 0 0 "[ . 1 . 2]" 1
763 1 33 HIS H 1 37 VAL HA 3.500 . 4.000 3.236 2.817 3.520 . 0 0 "[ . 1 . 2]" 1
764 1 31 LYS QD 1 33 HIS H 4.840 . 5.340 3.137 2.929 3.436 . 0 0 "[ . 1 . 2]" 1
765 1 14 PRO QB 1 16 ALA H 6.070 . 6.570 3.133 2.475 3.905 . 0 0 "[ . 1 . 2]" 1
766 1 66 THR HA 1 67 ALA H 2.810 . 3.310 2.073 2.039 2.118 . 0 0 "[ . 1 . 2]" 1
767 1 66 THR MG 1 67 ALA H 5.500 . 6.000 3.552 3.511 3.581 . 0 0 "[ . 1 . 2]" 1
768 1 64 ARG H 1 65 TYR H 2.500 . 3.000 2.144 1.810 2.583 . 0 0 "[ . 1 . 2]" 1
769 1 32 LEU QD 1 64 ARG H 8.180 . 8.680 3.584 3.404 3.718 . 0 0 "[ . 1 . 2]" 1
770 1 93 LEU H 1 94 THR H 5.500 . 6.000 3.840 2.676 4.642 . 0 0 "[ . 1 . 2]" 1
771 1 92 ARG HA 1 93 LEU H 3.500 . 4.000 2.750 2.247 3.537 . 0 0 "[ . 1 . 2]" 1
772 1 71 GLU H 1 72 VAL H 4.500 . 5.000 4.540 4.507 4.562 . 0 0 "[ . 1 . 2]" 1
773 1 61 VAL HB 1 62 ASN H 4.500 . 5.000 3.076 2.661 4.120 . 0 0 "[ . 1 . 2]" 1
774 1 61 VAL QG 1 62 ASN H 5.940 . 6.440 3.299 2.488 3.478 . 0 0 "[ . 1 . 2]" 1
775 1 31 LYS H 1 32 LEU H 5.050 . 5.550 3.968 3.924 3.995 . 0 0 "[ . 1 . 2]" 1
776 1 31 LYS HA 1 32 LEU H 2.500 . 3.000 2.361 2.290 2.473 . 0 0 "[ . 1 . 2]" 1
777 1 31 LYS QB 1 32 LEU H 3.150 . 3.650 2.112 2.029 2.180 . 0 0 "[ . 1 . 2]" 1
778 1 32 LEU H 1 37 VAL QG 6.810 . 7.310 2.583 2.251 3.273 . 0 0 "[ . 1 . 2]" 1
779 1 74 GLU H 1 75 TYR H 3.500 . 4.000 2.499 2.426 2.740 . 0 0 "[ . 1 . 2]" 1
780 1 71 GLU QB 1 75 TYR H 5.880 . 6.380 3.704 3.576 3.797 . 0 0 "[ . 1 . 2]" 1
781 1 66 THR MG 1 75 TYR H 7.470 . 7.970 4.011 3.864 4.181 . 0 0 "[ . 1 . 2]" 1
782 1 89 GLY QA 1 90 ARG H 2.810 . 3.310 2.277 2.200 2.346 . 0 0 "[ . 1 . 2]" 1
783 1 54 LEU QD 1 90 ARG H 6.070 . 6.570 3.758 2.976 4.192 . 0 0 "[ . 1 . 2]" 1
784 1 8 HIS QB 1 9 LEU H 3.930 . 4.430 2.819 2.045 3.608 . 0 0 "[ . 1 . 2]" 1
785 1 9 LEU H 1 9 LEU QB 3.000 . 3.500 2.308 2.149 2.555 . 0 0 "[ . 1 . 2]" 1
786 1 7 HIS QB 1 8 HIS H 5.050 . 5.550 2.902 2.092 3.968 . 0 0 "[ . 1 . 2]" 1
787 1 91 PRO HA 1 92 ARG H 3.500 . 4.000 2.713 2.203 3.572 . 0 0 "[ . 1 . 2]" 1
788 1 91 PRO QB 1 92 ARG H 3.930 . 4.430 2.891 2.242 3.542 . 0 0 "[ . 1 . 2]" 1
789 1 54 LEU QD 1 85 SER H 7.530 . 8.030 3.099 2.403 3.553 . 0 0 "[ . 1 . 2]" 1
790 1 11 SER HA 1 12 TYR H 3.500 . 4.000 2.850 2.319 3.576 . 0 0 "[ . 1 . 2]" 1
791 1 11 SER QB 1 12 TYR H 3.930 . 4.430 2.756 2.268 3.617 . 0 0 "[ . 1 . 2]" 1
792 1 51 HIS HA 1 52 ALA H 2.810 . 3.310 2.330 2.153 2.535 . 0 0 "[ . 1 . 2]" 1
793 1 51 HIS QB 1 52 ALA H 5.050 . 5.550 2.628 2.268 3.113 . 0 0 "[ . 1 . 2]" 1
794 1 84 VAL HA 1 85 SER H 2.500 . 3.000 2.382 2.161 2.499 . 0 0 "[ . 1 . 2]" 1
795 1 84 VAL QG 1 85 SER H 6.070 . 6.570 3.192 3.062 3.614 . 0 0 "[ . 1 . 2]" 1
796 1 14 PRO QB 1 15 ARG H 3.930 . 4.430 3.053 2.509 3.508 . 0 0 "[ . 1 . 2]" 1
797 1 15 ARG H 1 16 ALA MB 8.410 . 8.910 4.514 3.589 6.003 . 0 0 "[ . 1 . 2]" 1
798 1 9 LEU QB 1 10 ASP H 5.400 . 5.900 3.079 2.339 3.832 . 0 0 "[ . 1 . 2]" 1
799 1 50 GLY H 1 51 HIS H 3.500 . 4.000 2.768 2.468 2.935 . 0 0 "[ . 1 . 2]" 1
800 1 38 LEU QD 1 51 HIS H 7.640 . 8.140 3.932 3.791 4.102 . 0 0 "[ . 1 . 2]" 1
801 1 58 GLY H 1 59 MET H 3.500 . 4.000 2.702 2.583 2.815 . 0 0 "[ . 1 . 2]" 1
802 1 55 ALA MB 1 59 MET H 5.400 . 5.900 3.436 3.006 3.734 . 0 0 "[ . 1 . 2]" 1
803 1 16 ALA HA 1 17 GLU H 3.500 . 4.000 2.738 2.152 3.587 . 0 0 "[ . 1 . 2]" 1
804 1 17 GLU H 1 90 ARG QB 7.860 . 8.360 6.538 5.307 7.084 . 0 0 "[ . 1 . 2]" 1
805 1 16 ALA MB 1 17 GLU H 4.200 . 4.700 2.666 1.955 3.559 . 0 0 "[ . 1 . 2]" 1
806 1 65 TYR QB 1 70 LYS H 5.670 . 6.170 3.853 3.618 4.157 . 0 0 "[ . 1 . 2]" 1
807 1 62 ASN H 1 65 TYR H 4.500 . 5.000 3.455 2.781 3.896 . 0 0 "[ . 1 . 2]" 1
808 1 64 ARG HA 1 65 TYR H 3.500 . 4.000 3.252 3.021 3.403 . 0 0 "[ . 1 . 2]" 1
809 1 64 ARG QB 1 65 TYR H 5.050 . 5.550 4.015 3.845 4.139 . 0 0 "[ . 1 . 2]" 1
810 1 64 ARG QB 1 65 TYR H 5.670 . 6.170 3.171 2.835 3.661 . 0 0 "[ . 1 . 2]" 1
811 1 61 VAL HB 1 65 TYR H 5.500 . 6.000 3.855 3.421 5.596 . 0 0 "[ . 1 . 2]" 1
812 1 37 VAL QG 1 65 TYR H 7.640 . 8.140 3.341 3.190 3.555 . 0 0 "[ . 1 . 2]" 1
813 1 66 THR H 1 70 LYS H 3.500 . 4.000 3.051 2.870 3.220 . 0 0 "[ . 1 . 2]" 1
814 1 67 ALA H 1 70 LYS H 5.050 . 5.550 4.437 4.397 4.488 . 0 0 "[ . 1 . 2]" 1
815 1 69 GLY H 1 70 LYS H 2.500 . 3.000 2.115 2.049 2.229 . 0 0 "[ . 1 . 2]" 1
816 1 66 THR HA 1 70 LYS H 5.050 . 5.550 3.959 3.884 4.052 . 0 0 "[ . 1 . 2]" 1
817 1 66 THR MG 1 70 LYS H 4.200 . 4.700 3.487 3.392 3.529 . 0 0 "[ . 1 . 2]" 1
818 1 53 VAL QG 1 55 ALA H 5.670 . 6.170 2.600 2.333 2.796 . 0 0 "[ . 1 . 2]" 1
819 1 74 GLU H 1 74 GLU QB 3.150 . 3.650 2.202 2.132 2.266 . 0 0 "[ . 1 . 2]" 1
820 1 30 LEU H 1 31 LYS H 5.050 . 5.550 3.951 3.927 3.977 . 0 0 "[ . 1 . 2]" 1
821 1 30 LEU QB 1 31 LYS H 4.410 . 4.910 2.394 2.037 2.664 . 0 0 "[ . 1 . 2]" 1
822 1 31 LYS H 1 31 LYS QG 4.580 . 5.080 2.642 2.332 3.220 . 0 0 "[ . 1 . 2]" 1
823 1 77 GLY H 1 78 ASN H 3.500 . 4.000 2.736 2.638 2.845 . 0 0 "[ . 1 . 2]" 1
824 1 78 ASN H 1 81 ASN QD 5.670 . 6.170 4.078 3.110 4.439 . 0 0 "[ . 1 . 2]" 1
825 1 78 ASN H 1 78 ASN QB 2.810 . 3.310 2.211 2.196 2.254 . 0 0 "[ . 1 . 2]" 1
826 1 80 ALA H 1 82 TYR H 6.610 . 7.110 4.218 4.065 4.759 . 0 0 "[ . 1 . 2]" 1
827 1 78 ASN QD 1 80 ALA H 6.170 . 6.670 3.589 3.114 3.712 . 0 0 "[ . 1 . 2]" 1
828 1 78 ASN HA 1 80 ALA H 4.500 . 5.000 3.867 3.818 3.983 . 0 0 "[ . 1 . 2]" 1
829 1 79 PRO HA 1 80 ALA H 4.200 . 4.700 2.754 2.711 2.808 . 0 0 "[ . 1 . 2]" 1
830 1 39 VAL H 1 51 HIS H 4.500 . 5.000 3.513 3.340 3.663 . 0 0 "[ . 1 . 2]" 1
831 1 38 LEU QB 1 39 VAL H 3.930 . 4.430 2.708 2.524 2.950 . 0 0 "[ . 1 . 2]" 1
832 1 56 ILE H 1 59 MET H 3.500 . 4.000 3.085 2.777 3.334 . 0 0 "[ . 1 . 2]" 1
833 1 81 ASN H 1 82 TYR H 3.500 . 4.000 2.470 2.315 2.747 . 0 0 "[ . 1 . 2]" 1
834 1 24 TYR QE 1 82 TYR H 6.930 . 7.430 4.895 4.009 5.492 . 0 0 "[ . 1 . 2]" 1
835 1 79 PRO HA 1 82 TYR H 4.500 . 5.000 3.168 2.841 4.462 . 0 0 "[ . 1 . 2]" 1
836 1 92 ARG HA 1 95 SER H 5.050 . 5.550 3.568 2.635 4.472 . 0 0 "[ . 1 . 2]" 1
837 1 2 GLY QA 1 3 HIS H 3.540 . 4.040 2.265 2.055 2.546 . 0 0 "[ . 1 . 2]" 1
838 1 73 LEU H 1 74 GLU H 4.500 . 5.000 2.695 2.614 2.731 . 0 0 "[ . 1 . 2]" 1
839 1 71 GLU QB 1 73 LEU H 6.930 . 7.430 3.794 3.005 4.173 . 0 0 "[ . 1 . 2]" 1
840 1 72 VAL HB 1 73 LEU H 3.930 . 4.430 2.297 2.155 2.646 . 0 0 "[ . 1 . 2]" 1
841 1 94 THR H 1 95 SER H 3.930 . 4.430 2.621 1.919 3.084 . 0 0 "[ . 1 . 2]" 1
842 1 40 ALA H 1 41 PHE H 2.500 . 3.000 2.269 1.938 2.397 . 0 0 "[ . 1 . 2]" 1
843 1 30 LEU H 1 41 PHE H 5.500 . 6.000 5.127 4.839 5.508 . 0 0 "[ . 1 . 2]" 1
844 1 41 PHE H 1 49 VAL QG 5.300 . 5.800 3.581 3.249 3.935 . 0 0 "[ . 1 . 2]" 1
845 1 30 LEU QD 1 41 PHE H 5.300 . 5.800 2.701 2.479 2.961 . 0 0 "[ . 1 . 2]" 1
846 1 78 ASN QD 1 81 ASN QD 5.670 . 6.170 4.123 3.074 4.504 . 0 0 "[ . 1 . 2]" 1
847 1 32 LEU QD 1 36 ARG H 5.300 . 5.800 2.800 2.459 3.392 . 0 0 "[ . 1 . 2]" 1
848 1 35 GLU H 1 36 ARG H 3.500 . 4.000 2.923 2.814 3.129 . 0 0 "[ . 1 . 2]" 1
849 1 34 ASP QB 1 36 ARG H 4.720 . 5.220 3.303 3.094 3.474 . 0 0 "[ . 1 . 2]" 1
850 1 39 VAL QG 1 50 GLY H 4.720 . 5.220 3.405 3.158 3.527 . 0 0 "[ . 1 . 2]" 1
851 1 22 PHE HA 1 23 SER H 3.500 . 4.000 2.401 2.260 2.673 . 0 0 "[ . 1 . 2]" 1
852 1 10 ASP QB 1 11 SER H 5.050 . 5.550 3.292 2.659 4.084 . 0 0 "[ . 1 . 2]" 1
853 1 41 PHE HA 1 42 GLY H 2.500 . 3.000 2.309 2.139 2.529 . 0 0 "[ . 1 . 2]" 1
854 1 62 ASN H 1 63 GLY H 4.500 . 5.000 3.760 3.465 4.202 . 0 0 "[ . 1 . 2]" 1
855 1 63 GLY H 1 64 ARG HA 7.860 . 8.360 5.332 5.140 5.597 . 0 0 "[ . 1 . 2]" 1
856 1 76 LEU H 1 77 GLY H . . 3.000 2.529 2.502 2.579 . 0 0 "[ . 1 . 2]" 1
857 1 73 LEU HA 1 76 LEU H 3.930 . 4.430 3.216 3.110 3.305 . 0 0 "[ . 1 . 2]" 1
858 1 76 LEU H 1 76 LEU HG 3.500 . 4.000 2.527 2.483 2.601 . 0 0 "[ . 1 . 2]" 1
859 1 80 ALA H 1 81 ASN H 4.200 . 4.700 2.603 2.535 2.863 . 0 0 "[ . 1 . 2]" 1
860 1 81 ASN H 1 81 ASN QD 5.050 . 5.550 4.218 3.408 4.547 . 0 0 "[ . 1 . 2]" 1
861 1 80 ALA MB 1 81 ASN H 4.200 . 4.700 3.109 3.034 3.397 . 0 0 "[ . 1 . 2]" 1
862 1 62 ASN QD 1 67 ALA HA . . 7.910 4.441 3.711 4.987 . 0 0 "[ . 1 . 2]" 1
863 1 78 ASN QD 1 80 ALA H . . 6.570 3.346 2.910 3.531 . 0 0 "[ . 1 . 2]" 1
864 1 75 TYR QE 1 78 ASN QD 6.360 . 6.860 3.911 3.062 4.249 . 0 0 "[ . 1 . 2]" 1
865 1 65 TYR H 1 66 THR H 5.050 . 5.550 4.141 4.115 4.166 . 0 0 "[ . 1 . 2]" 1
866 1 67 ALA H 1 68 ASP H 3.500 . 4.000 2.688 2.614 2.827 . 0 0 "[ . 1 . 2]" 1
867 1 67 ALA HA 1 68 ASP H 4.200 . 4.700 3.426 3.421 3.430 . 0 0 "[ . 1 . 2]" 1
868 1 66 THR MG 1 68 ASP H 5.400 . 5.900 4.119 4.075 4.157 . 0 0 "[ . 1 . 2]" 1
869 1 34 ASP HA 1 35 GLU H 3.500 . 4.000 2.656 2.552 2.763 . 0 0 "[ . 1 . 2]" 1
870 1 33 HIS QB 1 35 GLU H 5.670 . 6.170 3.867 3.811 3.915 . 0 0 "[ . 1 . 2]" 1
871 1 32 LEU QD 1 35 GLU H 4.840 . 5.340 2.854 2.486 3.126 . 0 0 "[ . 1 . 2]" 1
872 1 72 VAL QG 1 77 GLY H 7.640 . 8.140 3.924 3.868 3.977 . 0 0 "[ . 1 . 2]" 1
873 1 24 TYR QE 1 77 GLY H 7.410 . 7.910 4.426 3.693 4.899 . 0 0 "[ . 1 . 2]" 1
874 1 68 ASP HA 1 69 GLY H 3.930 . 4.430 3.492 3.475 3.507 . 0 0 "[ . 1 . 2]" 1
875 1 66 THR HA 1 69 GLY H 5.050 . 5.550 3.324 3.242 3.368 . 0 0 "[ . 1 . 2]" 1
876 1 65 TYR QB 1 69 GLY H 5.050 . 5.550 3.994 3.743 4.216 . 0 0 "[ . 1 . 2]" 1
877 1 65 TYR QB 1 69 GLY H 5.670 . 6.170 2.644 2.608 2.757 . 0 0 "[ . 1 . 2]" 1
878 1 68 ASP QB 1 69 GLY H 5.050 . 5.550 2.685 2.642 2.838 . 0 0 "[ . 1 . 2]" 1
879 1 67 ALA MB 1 69 GLY H 5.400 . 5.900 4.513 4.451 4.531 . 0 0 "[ . 1 . 2]" 1
880 1 32 LEU QD 1 34 ASP H 10.730 . 11.230 3.995 3.379 4.375 . 0 0 "[ . 1 . 2]" 1
881 1 57 ASN H 1 85 SER H 4.500 . 5.000 2.963 2.691 3.478 . 0 0 "[ . 1 . 2]" 1
882 1 56 ILE H 1 57 ASN H 5.500 . 6.000 4.232 4.196 4.265 . 0 0 "[ . 1 . 2]" 1
883 1 57 ASN H 1 59 MET H 5.500 . 6.000 4.438 4.346 4.602 . 0 0 "[ . 1 . 2]" 1
884 1 55 ALA MB 1 57 ASN H 7.190 . 7.690 3.951 3.877 4.049 . 0 0 "[ . 1 . 2]" 1
885 1 57 ASN H 1 84 VAL HB 5.500 . 6.000 3.806 3.004 4.858 . 0 0 "[ . 1 . 2]" 1
886 1 64 ARG QB 1 72 VAL H 6.170 . 6.670 3.863 3.513 4.172 . 0 0 "[ . 1 . 2]" 1
887 1 12 TYR QE 1 13 ALA H 6.170 . 6.670 4.761 3.680 5.551 . 0 0 "[ . 1 . 2]" 1
888 1 22 PHE QD 1 86 ILE H 6.170 . 6.670 3.219 2.594 4.498 . 0 0 "[ . 1 . 2]" 1
889 1 21 THR H 1 86 ILE H 5.500 . 6.000 5.008 4.803 5.308 . 0 0 "[ . 1 . 2]" 1
890 1 86 ILE H 1 88 PHE QD 6.170 . 6.670 5.354 4.784 5.565 . 0 0 "[ . 1 . 2]" 1
891 1 21 THR MG 1 86 ILE H 7.410 . 7.910 4.684 3.787 5.161 . 0 0 "[ . 1 . 2]" 1
892 1 30 LEU H 1 31 LYS H 5.500 . 6.000 4.458 4.393 4.539 . 0 0 "[ . 1 . 2]" 1
893 1 30 LEU H 1 39 VAL HA 5.500 . 6.000 5.143 4.898 5.363 . 0 0 "[ . 1 . 2]" 1
894 1 22 PHE H 1 23 SER H 5.050 . 5.550 4.070 4.034 4.117 . 0 0 "[ . 1 . 2]" 1
895 1 32 LEU H 1 33 HIS H 4.500 . 5.000 4.499 4.408 4.546 . 0 0 "[ . 1 . 2]" 1
896 1 15 ARG QD 1 16 ALA H 8.820 . 9.320 4.560 2.597 5.630 . 0 0 "[ . 1 . 2]" 1
897 1 92 ARG QD 1 93 LEU H 6.170 . 6.670 4.548 2.279 5.518 . 0 0 "[ . 1 . 2]" 1
898 1 35 GLU QB 1 64 ARG H 7.860 . 8.360 4.821 3.806 6.148 . 0 0 "[ . 1 . 2]" 1
899 1 71 GLU H 1 74 GLU H 5.500 . 6.000 4.739 4.444 5.330 . 0 0 "[ . 1 . 2]" 1
900 1 70 LYS H 1 71 GLU H 5.500 . 6.000 4.663 4.621 4.708 . 0 0 "[ . 1 . 2]" 1
901 1 65 TYR HA 1 71 GLU H 5.500 . 6.000 4.621 4.443 4.762 . 0 0 "[ . 1 . 2]" 1
902 1 71 GLU H 1 75 TYR QB 6.170 . 6.670 4.306 4.097 4.623 . 0 0 "[ . 1 . 2]" 1
903 1 75 TYR H 1 77 GLY H 5.400 . 5.900 3.912 3.800 4.008 . 0 0 "[ . 1 . 2]" 1
904 1 73 LEU H 1 75 TYR H 5.500 . 6.000 4.078 3.957 4.170 . 0 0 "[ . 1 . 2]" 1
905 1 72 VAL H 1 75 TYR H 5.500 . 6.000 4.704 4.664 4.747 . 0 0 "[ . 1 . 2]" 1
906 1 75 TYR H 1 76 LEU HA 5.500 . 6.000 5.462 5.435 5.487 . 0 0 "[ . 1 . 2]" 1
907 1 73 LEU QB 1 75 TYR H 6.170 . 6.670 4.762 4.693 4.827 . 0 0 "[ . 1 . 2]" 1
908 1 17 GLU QG 1 90 ARG H 6.170 . 6.670 4.450 2.564 5.546 . 0 0 "[ . 1 . 2]" 1
909 1 51 HIS HD2 1 90 ARG H 5.500 . 6.000 3.715 3.146 4.669 . 0 0 "[ . 1 . 2]" 1
910 1 36 ARG QB 1 37 VAL H 5.670 . 6.170 2.434 2.070 2.912 . 0 0 "[ . 1 . 2]" 1
911 1 52 ALA H 1 89 GLY H 4.500 . 5.000 2.925 2.650 3.096 . 0 0 "[ . 1 . 2]" 1
912 1 51 HIS H 1 52 ALA H 5.500 . 6.000 4.618 4.574 4.664 . 0 0 "[ . 1 . 2]" 1
913 1 52 ALA H 1 88 PHE QD 6.170 . 6.670 4.688 3.540 5.512 . 0 0 "[ . 1 . 2]" 1
914 1 52 ALA H 1 88 PHE HA 5.500 . 6.000 4.870 4.503 5.115 . 0 0 "[ . 1 . 2]" 1
915 1 39 VAL QG 1 52 ALA H 6.810 . 7.310 3.744 3.293 4.188 . 0 0 "[ . 1 . 2]" 1
916 1 84 VAL QG 1 85 SER H 6.490 . 6.990 3.136 2.930 3.538 . 0 0 "[ . 1 . 2]" 1
917 1 6 HIS QB 1 7 HIS H 6.170 . 6.670 2.987 1.933 3.909 . 0 0 "[ . 1 . 2]" 1
918 1 24 TYR H 1 82 TYR QB 6.170 . 6.670 2.708 2.243 3.942 . 0 0 "[ . 1 . 2]" 1
919 1 59 MET H 1 60 ASP H 5.500 . 6.000 4.323 4.261 4.451 . 0 0 "[ . 1 . 2]" 1
920 1 51 HIS H 1 88 PHE QD 7.860 . 8.360 5.632 4.736 7.007 . 0 0 "[ . 1 . 2]" 1
921 1 39 VAL HA 1 51 HIS H 5.500 . 6.000 5.493 5.205 5.556 . 0 0 "[ . 1 . 2]" 1
922 1 38 LEU HG 1 51 HIS H 7.000 . 7.500 6.257 4.615 7.103 . 0 0 "[ . 1 . 2]" 1
923 1 38 LEU QB 1 51 HIS H 7.190 . 7.690 4.225 3.939 4.646 . 0 0 "[ . 1 . 2]" 1
924 1 17 GLU H 1 90 ARG H 5.500 . 6.000 4.799 3.557 5.379 . 0 0 "[ . 1 . 2]" 1
925 1 65 TYR H 1 65 TYR QE 6.170 . 6.670 4.882 4.680 5.007 . 0 0 "[ . 1 . 2]" 1
926 1 65 TYR H 1 66 THR H 4.500 . 5.000 4.493 4.440 4.558 . 0 0 "[ . 1 . 2]" 1
927 1 65 TYR HA 1 70 LYS H 5.500 . 6.000 4.864 4.665 5.016 . 0 0 "[ . 1 . 2]" 1
928 1 65 TYR QB 1 70 LYS H 5.670 . 6.170 4.015 3.695 4.286 . 0 0 "[ . 1 . 2]" 1
929 1 55 ALA H 1 86 ILE MG 5.400 . 5.900 3.635 3.476 4.176 . 0 0 "[ . 1 . 2]" 1
930 1 76 LEU H 1 78 ASN H 5.500 . 6.000 4.176 4.094 4.292 . 0 0 "[ . 1 . 2]" 1
931 1 31 LYS H 1 40 ALA H 4.500 . 5.000 3.771 3.535 4.504 . 0 0 "[ . 1 . 2]" 1
932 1 31 LYS H 1 37 VAL HA 5.500 . 6.000 4.129 3.929 4.274 . 0 0 "[ . 1 . 2]" 1
933 1 78 ASN H 1 79 PRO QD 6.170 . 6.670 4.317 4.287 4.347 . 0 0 "[ . 1 . 2]" 1
934 1 74 GLU QB 1 78 ASN H 7.410 . 7.910 3.936 3.663 4.782 . 0 0 "[ . 1 . 2]" 1
935 1 76 LEU QB 1 78 ASN H 6.930 . 7.430 4.605 4.492 4.700 . 0 0 "[ . 1 . 2]" 1
936 1 70 LYS QB 1 78 ASN H 8.820 . 9.320 4.671 4.539 4.790 . 0 0 "[ . 1 . 2]" 1
937 1 80 ALA H 1 81 ASN QD 7.860 . 8.360 6.065 4.819 6.427 . 0 0 "[ . 1 . 2]" 1
938 1 78 ASN QB 1 80 ALA H 6.170 . 6.670 3.969 3.789 4.162 . 0 0 "[ . 1 . 2]" 1
939 1 80 ALA H 1 81 ASN QB 7.860 . 8.360 4.482 4.128 5.294 . 0 0 "[ . 1 . 2]" 1
940 1 56 ILE H 1 58 GLY H 5.500 . 6.000 3.700 3.442 3.930 . 0 0 "[ . 1 . 2]" 1
941 1 56 ILE H 1 60 ASP H 5.500 . 6.000 4.885 4.797 4.956 . 0 0 "[ . 1 . 2]" 1
942 1 56 ILE H 1 57 ASN QD 5.400 . 5.900 4.309 3.806 4.481 . 0 0 "[ . 1 . 2]" 1
943 1 56 ILE H 1 59 MET QG 6.170 . 6.670 4.845 3.053 5.125 . 0 0 "[ . 1 . 2]" 1
944 1 56 ILE H 1 59 MET QB . . 5.550 3.402 3.157 4.577 . 0 0 "[ . 1 . 2]" 1
945 1 56 ILE H 1 58 GLY QA 7.860 . 8.360 4.723 4.596 4.895 . 0 0 "[ . 1 . 2]" 1
946 1 56 ILE H 1 57 ASN QB 7.860 . 8.360 5.147 4.839 5.809 . 0 0 "[ . 1 . 2]" 1
947 1 24 TYR H 1 82 TYR H 7.000 . 7.500 6.017 5.503 6.251 . 0 0 "[ . 1 . 2]" 1
948 1 81 ASN QB 1 82 TYR H 5.050 . 5.550 3.924 3.773 4.143 . 0 0 "[ . 1 . 2]" 1
949 1 82 TYR H 1 84 VAL QG 9.440 . 9.940 4.438 4.111 4.769 . 0 0 "[ . 1 . 2]" 1
950 1 64 ARG HA 1 73 LEU H 7.860 . 8.360 4.750 4.463 4.919 . 0 0 "[ . 1 . 2]" 1
951 1 61 VAL H 1 62 ASN H 5.500 . 6.000 4.500 4.336 4.632 . 0 0 "[ . 1 . 2]" 1
952 1 56 ILE H 1 61 VAL H 4.500 . 5.000 4.436 4.161 4.565 . 0 0 "[ . 1 . 2]" 1
953 1 61 VAL H 1 62 ASN HA 7.000 . 7.500 5.374 5.029 5.621 . 0 0 "[ . 1 . 2]" 1
954 1 39 VAL HB 1 41 PHE H 5.500 . 6.000 4.999 4.734 5.393 . 0 0 "[ . 1 . 2]" 1
955 1 41 PHE H 1 42 GLY QA 6.610 . 7.110 4.065 3.720 4.482 . 0 0 "[ . 1 . 2]" 1
956 1 55 ALA MB 1 61 VAL H 5.400 . 5.900 3.551 3.172 3.734 . 0 0 "[ . 1 . 2]" 1
957 1 59 MET QG 1 61 VAL H 5.670 . 6.170 3.786 3.607 3.885 . 0 0 "[ . 1 . 2]" 1
958 1 78 ASN H 1 81 ASN QD 6.070 . 6.570 3.730 2.969 4.052 . 0 0 "[ . 1 . 2]" 1
959 1 70 LYS QE 1 81 ASN QD 9.900 . 10.400 3.833 3.597 4.443 . 0 0 "[ . 1 . 2]" 1
960 1 34 ASP H 1 36 ARG H 5.500 . 6.000 4.349 4.244 4.511 . 0 0 "[ . 1 . 2]" 1
961 1 32 LEU HA 1 36 ARG H 5.500 . 6.000 4.545 4.268 4.911 . 0 0 "[ . 1 . 2]" 1
962 1 34 ASP HA 1 36 ARG H 6.170 . 6.670 4.270 4.081 4.385 . 0 0 "[ . 1 . 2]" 1
963 1 33 HIS QB 1 36 ARG H 5.670 . 6.170 3.594 3.336 3.761 . 0 0 "[ . 1 . 2]" 1
964 1 35 GLU QB 1 36 ARG H 5.670 . 6.170 3.645 3.511 3.762 . 0 0 "[ . 1 . 2]" 1
965 1 33 HIS HA 1 36 ARG H 5.500 . 6.000 4.583 4.423 4.745 . 0 0 "[ . 1 . 2]" 1
966 1 49 VAL HB 1 50 GLY H 4.500 . 5.000 3.373 2.276 4.236 . 0 0 "[ . 1 . 2]" 1
967 1 57 ASN QD 1 85 SER H 6.170 . 6.670 4.251 3.669 5.503 . 0 0 "[ . 1 . 2]" 1
968 1 57 ASN QD 1 75 TYR QD . . 6.170 4.444 4.300 4.557 . 0 0 "[ . 1 . 2]" 1
969 1 57 ASN QD 1 75 TYR QE 7.780 . 8.280 2.440 2.169 2.852 . 0 0 "[ . 1 . 2]" 1
970 1 57 ASN QD 1 84 VAL HA 6.170 . 6.670 3.753 2.720 5.546 . 0 0 "[ . 1 . 2]" 1
971 1 57 ASN QD 1 59 MET QB . . 7.910 3.554 2.711 4.396 . 0 0 "[ . 1 . 2]" 1
972 1 63 GLY H 1 65 TYR H 5.500 . 6.000 4.320 4.184 4.509 . 0 0 "[ . 1 . 2]" 1
973 1 61 VAL H 1 63 GLY H 8.410 . 8.910 4.669 4.342 4.961 . 0 0 "[ . 1 . 2]" 1
974 1 62 ASN QD 1 63 GLY H 7.860 . 8.360 5.522 4.860 5.747 . 0 0 "[ . 1 . 2]" 1
975 1 36 ARG HA 1 63 GLY H 5.500 . 6.000 5.143 4.724 5.566 . 0 0 "[ . 1 . 2]" 1
976 1 36 ARG QD 1 63 GLY H 6.170 . 6.670 4.720 3.384 5.533 . 0 0 "[ . 1 . 2]" 1
977 1 36 ARG QB 1 63 GLY H 6.610 . 7.110 4.112 3.573 4.909 . 0 0 "[ . 1 . 2]" 1
978 1 36 ARG QB 1 63 GLY H 8.820 . 9.320 5.243 4.798 5.580 . 0 0 "[ . 1 . 2]" 1
979 1 78 ASN H 1 81 ASN H 6.610 . 7.110 3.880 3.268 4.277 . 0 0 "[ . 1 . 2]" 1
980 1 24 TYR QE 1 76 LEU H 7.410 . 7.910 4.068 3.918 4.380 . 0 0 "[ . 1 . 2]" 1
981 1 78 ASN HA 1 81 ASN H 5.500 . 6.000 4.816 4.710 5.507 . 0 0 "[ . 1 . 2]" 1
982 1 78 ASN QB 1 81 ASN H 5.050 . 5.550 3.632 3.463 4.256 . 0 0 "[ . 1 . 2]" 1
983 1 81 ASN H 1 82 TYR QB 7.860 . 8.360 4.304 4.085 5.020 . 0 0 "[ . 1 . 2]" 1
984 1 79 PRO QG 1 81 ASN H 7.860 . 8.360 4.957 4.896 5.072 . 0 0 "[ . 1 . 2]" 1
985 1 81 ASN H 1 84 VAL QG 9.440 . 9.940 5.072 4.622 5.324 . 0 0 "[ . 1 . 2]" 1
986 1 79 PRO QB 1 81 ASN H 6.170 . 6.670 4.587 4.529 4.732 . 0 0 "[ . 1 . 2]" 1
987 1 56 ILE HB 1 76 LEU H 8.410 . 8.910 4.989 4.837 5.162 . 0 0 "[ . 1 . 2]" 1
988 1 35 GLU HA 1 64 ARG HE 5.500 . 6.000 4.337 2.958 5.501 . 0 0 "[ . 1 . 2]" 1
989 1 35 GLU QB 1 64 ARG HE 7.410 . 7.910 3.946 2.426 4.753 . 0 0 "[ . 1 . 2]" 1
990 1 64 ARG HE 1 71 GLU QB 6.930 . 7.430 4.335 2.989 5.267 . 0 0 "[ . 1 . 2]" 1
991 1 62 ASN QD 1 66 THR HA 7.860 . 8.360 6.674 6.223 6.925 . 0 0 "[ . 1 . 2]" 1
992 1 62 ASN QD 1 65 TYR QB 6.930 . 7.430 3.115 2.553 3.897 . 0 0 "[ . 1 . 2]" 1
993 1 66 THR H 1 68 ASP H 5.500 . 6.000 4.852 4.802 4.905 . 0 0 "[ . 1 . 2]" 1
994 1 68 ASP H 1 69 GLY QA 6.170 . 6.670 4.453 4.413 4.494 . 0 0 "[ . 1 . 2]" 1
995 1 59 MET QB 1 68 ASP H 6.170 . 6.670 3.874 3.081 4.920 . 0 0 "[ . 1 . 2]" 1
996 1 62 ASN H 1 66 THR H 5.050 . 5.550 3.956 3.789 4.107 . 0 0 "[ . 1 . 2]" 1
997 1 65 TYR QE 1 66 THR H 6.930 . 7.430 5.327 5.060 5.528 . 0 0 "[ . 1 . 2]" 1
998 1 66 THR H 1 70 LYS HA 5.500 . 6.000 4.563 4.477 4.644 . 0 0 "[ . 1 . 2]" 1
999 1 61 VAL HA 1 66 THR H 5.500 . 6.000 5.032 4.696 5.490 . 0 0 "[ . 1 . 2]" 1
1000 1 61 VAL HB 1 66 THR H 5.400 . 5.900 3.328 3.229 3.630 . 0 0 "[ . 1 . 2]" 1
1001 1 56 ILE HB 1 66 THR H 6.610 . 7.110 4.643 4.417 5.397 . 0 0 "[ . 1 . 2]" 1
1002 1 33 HIS H 1 35 GLU H 5.500 . 6.000 4.152 4.023 4.298 . 0 0 "[ . 1 . 2]" 1
1003 1 33 HIS HA 1 35 GLU H 5.500 . 6.000 3.847 3.521 4.112 . 0 0 "[ . 1 . 2]" 1
1004 1 35 GLU H 1 36 ARG HA 7.000 . 7.500 5.491 5.449 5.552 . 0 0 "[ . 1 . 2]" 1
1005 1 35 GLU H 1 36 ARG QB 7.860 . 8.360 5.084 4.769 5.517 . 0 0 "[ . 1 . 2]" 1
1006 1 32 LEU QB 1 35 GLU H 9.440 . 9.940 4.436 4.158 4.815 . 0 0 "[ . 1 . 2]" 1
1007 1 73 LEU QD 1 77 GLY H 6.810 . 7.310 4.019 3.909 4.081 . 0 0 "[ . 1 . 2]" 1
1008 1 77 GLY H 1 78 ASN QB 7.860 . 8.360 4.415 4.323 4.504 . 0 0 "[ . 1 . 2]" 1
1009 1 75 TYR QB 1 77 GLY H 6.170 . 6.670 4.577 4.495 4.637 . 0 0 "[ . 1 . 2]" 1
1010 1 74 GLU QB 1 77 GLY H 6.930 . 7.430 4.418 4.308 4.538 . 0 0 "[ . 1 . 2]" 1
1011 1 72 VAL HA 1 77 GLY H 5.400 . 5.900 4.312 4.224 4.390 . 0 0 "[ . 1 . 2]" 1
1012 1 77 GLY H 1 78 ASN HA 7.000 . 7.500 5.330 5.226 5.415 . 0 0 "[ . 1 . 2]" 1
1013 1 66 THR H 1 69 GLY H 4.500 . 5.000 3.252 3.200 3.321 . 0 0 "[ . 1 . 2]" 1
1014 1 67 ALA H 1 69 GLY H 5.500 . 6.000 4.103 4.012 4.182 . 0 0 "[ . 1 . 2]" 1
1015 1 65 TYR QD 1 69 GLY H 7.860 . 8.360 5.679 5.302 5.997 . 0 0 "[ . 1 . 2]" 1
1016 1 65 TYR HA 1 69 GLY H 5.500 . 6.000 5.234 5.103 5.351 . 0 0 "[ . 1 . 2]" 1
1017 1 66 THR MG 1 69 GLY H 5.400 . 5.900 3.953 3.905 4.024 . 0 0 "[ . 1 . 2]" 1
1018 1 59 MET QB 1 69 GLY H 8.820 . 9.320 4.010 3.909 4.066 . 0 0 "[ . 1 . 2]" 1
1019 1 30 LEU H 1 40 ALA H 5.500 . 6.000 4.268 4.046 4.723 . 0 0 "[ . 1 . 2]" 1
1020 1 29 LEU QB 1 40 ALA H 7.410 . 7.910 3.444 3.092 3.789 . 0 0 "[ . 1 . 2]" 1
1021 1 30 LEU QD 1 40 ALA H 4.840 . 5.340 3.028 2.785 3.290 . 0 0 "[ . 1 . 2]" 1
1022 1 58 GLY H 1 85 SER H 7.000 . 7.500 5.377 5.076 5.998 . 0 0 "[ . 1 . 2]" 1
1023 1 58 GLY H 1 85 SER QB 6.170 . 6.670 4.011 3.527 4.843 . 0 0 "[ . 1 . 2]" 1
1024 1 58 GLY H 1 59 MET QB 6.170 . 6.670 4.789 4.527 5.334 . 0 0 "[ . 1 . 2]" 1
1025 1 58 GLY H 1 59 MET QB 8.410 . 8.910 4.682 4.470 5.127 . 0 0 "[ . 1 . 2]" 1
1026 1 58 GLY H 1 59 MET QG 7.860 . 8.360 4.831 4.257 5.026 . 0 0 "[ . 1 . 2]" 1
1027 1 56 ILE HB 1 58 GLY H 5.500 . 6.000 5.220 5.039 5.375 . 0 0 "[ . 1 . 2]" 1
1028 1 53 VAL HB 1 54 LEU H 5.500 . 6.000 4.059 3.948 4.188 . 0 0 "[ . 1 . 2]" 1
1029 1 65 TYR QD 1 72 VAL H 6.170 . 6.670 4.256 3.888 4.886 . 0 0 "[ . 1 . 2]" 1
1030 1 66 THR H 1 72 VAL H 5.500 . 6.000 4.211 3.988 4.443 . 0 0 "[ . 1 . 2]" 1
1031 1 39 VAL H 1 49 VAL HA 5.500 . 6.000 4.761 4.287 5.541 . 0 0 "[ . 1 . 2]" 1
1032 1 39 VAL H 1 50 GLY QA 6.170 . 6.670 4.063 3.828 4.300 . 0 0 "[ . 1 . 2]" 1
1033 1 54 LEU HA 1 55 ALA H 6.170 . 6.670 3.519 3.481 3.541 . 0 0 "[ . 1 . 2]" 1
1034 1 56 ILE QG 1 59 MET H 8.820 . 9.320 4.134 3.937 4.275 . 0 0 "[ . 1 . 2]" 1
1035 1 76 LEU HG 1 77 GLY H 5.500 . 6.000 4.573 4.526 4.673 . 0 0 "[ . 1 . 2]" 1
1036 1 74 GLU H 1 77 GLY H 5.500 . 6.000 4.526 4.395 4.621 . 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 40
_Distance_constraint_stats_list.Viol_count 10
_Distance_constraint_stats_list.Viol_total 1.258
_Distance_constraint_stats_list.Viol_max 0.015
_Distance_constraint_stats_list.Viol_rms 0.0009
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0063
_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 22 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LYS 0.000 0.000 14 0 "[ . 1 . 2]"
1 33 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LEU 0.000 0.000 14 0 "[ . 1 . 2]"
1 52 ALA 0.004 0.004 16 0 "[ . 1 . 2]"
1 54 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ASN 0.043 0.015 5 0 "[ . 1 . 2]"
1 59 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ASN 0.015 0.008 2 0 "[ . 1 . 2]"
1 64 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 TYR 0.015 0.008 2 0 "[ . 1 . 2]"
1 71 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 SER 0.043 0.015 5 0 "[ . 1 . 2]"
1 87 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 GLY 0.004 0.004 16 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 71 GLU O 1 75 TYR H 2.000 . 2.500 1.857 1.819 1.927 . 0 0 "[ . 1 . 2]" 2
2 1 71 GLU O 1 75 TYR N 3.000 . 3.500 2.853 2.814 2.937 . 0 0 "[ . 1 . 2]" 2
3 1 72 VAL O 1 76 LEU H 2.000 . 2.500 1.901 1.839 1.953 . 0 0 "[ . 1 . 2]" 2
4 1 72 VAL O 1 76 LEU N 3.000 . 3.500 2.892 2.831 2.925 . 0 0 "[ . 1 . 2]" 2
5 1 73 LEU O 1 77 GLY H 2.000 . 2.500 2.009 1.950 2.028 . 0 0 "[ . 1 . 2]" 2
6 1 73 LEU O 1 77 GLY N 3.000 . 3.500 2.899 2.848 2.949 . 0 0 "[ . 1 . 2]" 2
7 1 33 HIS O 1 36 ARG H 2.000 . 2.500 1.962 1.903 2.037 . 0 0 "[ . 1 . 2]" 2
8 1 33 HIS O 1 36 ARG N 3.000 . 3.500 2.928 2.864 3.010 . 0 0 "[ . 1 . 2]" 2
9 1 33 HIS H 1 36 ARG O 2.000 . 2.500 1.904 1.854 1.980 . 0 0 "[ . 1 . 2]" 2
10 1 33 HIS N 1 36 ARG O 3.000 . 3.500 2.903 2.859 2.983 . 0 0 "[ . 1 . 2]" 2
11 1 31 LYS O 1 38 LEU H 2.000 . 2.500 1.864 1.800 1.946 0.000 14 0 "[ . 1 . 2]" 2
12 1 31 LYS O 1 38 LEU N 3.000 . 3.500 2.862 2.800 2.936 . 0 0 "[ . 1 . 2]" 2
13 1 31 LYS H 1 38 LEU O 2.000 . 2.500 1.953 1.877 2.009 . 0 0 "[ . 1 . 2]" 2
14 1 31 LYS N 1 38 LEU O 3.000 . 3.500 2.915 2.844 2.977 . 0 0 "[ . 1 . 2]" 2
15 1 62 ASN O 1 65 TYR H 2.000 . 2.500 2.021 1.988 2.037 . 0 0 "[ . 1 . 2]" 2
16 1 62 ASN O 1 65 TYR N 3.000 . 3.500 2.991 2.947 3.019 . 0 0 "[ . 1 . 2]" 2
17 1 62 ASN H 1 65 TYR O 2.000 . 2.500 1.902 1.792 1.988 0.008 2 0 "[ . 1 . 2]" 2
18 1 62 ASN N 1 65 TYR O 3.000 . 3.500 2.749 2.710 2.803 . 0 0 "[ . 1 . 2]" 2
19 1 57 ASN H 1 85 SER O 2.000 . 2.500 1.811 1.785 1.856 0.015 5 0 "[ . 1 . 2]" 2
20 1 57 ASN N 1 85 SER O 3.000 . 3.500 2.814 2.780 2.855 . 0 0 "[ . 1 . 2]" 2
21 1 55 ALA O 1 87 ARG H 2.000 . 2.500 1.872 1.833 1.919 . 0 0 "[ . 1 . 2]" 2
22 1 55 ALA O 1 87 ARG N 3.000 . 3.500 2.872 2.838 2.912 . 0 0 "[ . 1 . 2]" 2
23 1 55 ALA H 1 87 ARG O 2.000 . 2.500 2.029 2.004 2.056 . 0 0 "[ . 1 . 2]" 2
24 1 55 ALA N 1 87 ARG O 3.000 . 3.500 3.013 2.974 3.037 . 0 0 "[ . 1 . 2]" 2
25 1 52 ALA O 1 89 GLY H 2.000 . 2.500 1.969 1.890 2.014 . 0 0 "[ . 1 . 2]" 2
26 1 52 ALA O 1 89 GLY N 3.000 . 3.500 2.924 2.851 2.993 . 0 0 "[ . 1 . 2]" 2
27 1 52 ALA H 1 89 GLY O 2.000 . 2.500 1.864 1.796 2.011 0.004 16 0 "[ . 1 . 2]" 2
28 1 52 ALA N 1 89 GLY O 3.000 . 3.500 2.840 2.761 2.943 . 0 0 "[ . 1 . 2]" 2
29 1 56 ILE O 1 59 MET H 2.000 . 2.500 1.896 1.863 2.014 . 0 0 "[ . 1 . 2]" 2
30 1 56 ILE O 1 59 MET N 3.000 . 3.500 2.838 2.798 2.897 . 0 0 "[ . 1 . 2]" 2
31 1 56 ILE H 1 59 MET O 2.000 . 2.500 1.946 1.876 2.006 . 0 0 "[ . 1 . 2]" 2
32 1 56 ILE N 1 59 MET O 3.000 . 3.500 2.930 2.863 2.980 . 0 0 "[ . 1 . 2]" 2
33 1 54 LEU O 1 61 VAL H 2.000 . 2.500 1.965 1.864 2.016 . 0 0 "[ . 1 . 2]" 2
34 1 54 LEU O 1 61 VAL N 3.000 . 3.500 2.952 2.831 3.006 . 0 0 "[ . 1 . 2]" 2
35 1 22 PHE H 1 84 VAL O 2.000 . 2.500 1.858 1.814 1.950 . 0 0 "[ . 1 . 2]" 2
36 1 22 PHE N 1 84 VAL O 3.000 . 3.500 2.850 2.806 2.948 . 0 0 "[ . 1 . 2]" 2
37 1 22 PHE O 1 84 VAL H 2.000 . 2.500 1.969 1.899 2.045 . 0 0 "[ . 1 . 2]" 2
38 1 22 PHE O 1 84 VAL N 3.000 . 3.500 2.973 2.904 3.029 . 0 0 "[ . 1 . 2]" 2
39 1 64 ARG O 1 72 VAL H 2.000 . 2.500 1.871 1.806 1.994 . 0 0 "[ . 1 . 2]" 2
40 1 64 ARG O 1 72 VAL N 3.000 . 3.500 2.879 2.815 3.000 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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