NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
558074 |
2lpn   |
18269 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lpn
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 1025
_Distance_constraint_stats_list.Viol_count 1168
_Distance_constraint_stats_list.Viol_total 2301.210
_Distance_constraint_stats_list.Viol_max 0.969
_Distance_constraint_stats_list.Viol_rms 0.0349
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0056
_Distance_constraint_stats_list.Viol_average_violations_only 0.0985
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLN 0.104 0.042 4 0 "[ . 1 . 2]"
1 2 GLU 2.515 0.367 8 0 "[ . 1 . 2]"
1 3 ALA 0.717 0.367 8 0 "[ . 1 . 2]"
1 4 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ARG 0.454 0.124 4 0 "[ . 1 . 2]"
1 7 PRO 0.902 0.084 18 0 "[ . 1 . 2]"
1 8 GLY 3.176 0.279 13 0 "[ . 1 . 2]"
1 9 ALA 1.519 0.168 2 0 "[ . 1 . 2]"
1 10 ASP 1.296 0.218 15 0 "[ . 1 . 2]"
1 11 CYS 0.523 0.205 1 0 "[ . 1 . 2]"
1 12 GLU 5.754 0.509 4 1 "[ +. 1 . 2]"
1 13 VAL 3.261 0.324 19 0 "[ . 1 . 2]"
1 14 CYS 1.476 0.487 2 0 "[ . 1 . 2]"
1 15 LYS 1.092 0.509 4 1 "[ +. 1 . 2]"
1 16 GLU 0.524 0.102 7 0 "[ . 1 . 2]"
1 17 PHE 1.206 0.089 11 0 "[ . 1 . 2]"
1 18 LEU 2.684 0.157 10 0 "[ . 1 . 2]"
1 19 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ARG 4.079 0.472 19 0 "[ . 1 . 2]"
1 21 PHE 1.117 0.127 12 0 "[ . 1 . 2]"
1 22 TYR 1.536 0.219 11 0 "[ . 1 . 2]"
1 23 LYS 0.677 0.087 4 0 "[ . 1 . 2]"
1 24 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LEU 10.149 0.553 10 1 "[ . + . 2]"
1 26 ILE 1.273 0.107 17 0 "[ . 1 . 2]"
1 27 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ARG 1.875 0.221 4 0 "[ . 1 . 2]"
1 29 GLY 0.636 0.124 5 0 "[ . 1 . 2]"
1 30 VAL 8.901 0.385 14 0 "[ . 1 . 2]"
1 31 ASN 5.783 0.553 10 1 "[ . + . 2]"
1 32 PHE 1.397 0.397 7 0 "[ . 1 . 2]"
1 33 SER 0.145 0.068 15 0 "[ . 1 . 2]"
1 34 LEU 5.362 0.587 3 2 "[ + . 1- . 2]"
1 35 ASP 0.025 0.016 17 0 "[ . 1 . 2]"
1 36 THR 4.739 0.292 5 0 "[ . 1 . 2]"
1 37 ILE 1.509 0.226 6 0 "[ . 1 . 2]"
1 38 GLU 4.762 0.292 5 0 "[ . 1 . 2]"
1 39 LYS 0.723 0.105 1 0 "[ . 1 . 2]"
1 40 GLU 5.885 0.338 2 0 "[ . 1 . 2]"
1 41 LEU 2.887 0.283 9 0 "[ . 1 . 2]"
1 42 ILE 3.468 0.246 6 0 "[ . 1 . 2]"
1 43 SER 0.698 0.088 17 0 "[ . 1 . 2]"
1 44 PHE 2.226 0.472 19 0 "[ . 1 . 2]"
1 45 CYS 0.987 0.309 11 0 "[ . 1 . 2]"
1 46 LEU 0.350 0.096 16 0 "[ . 1 . 2]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 THR 7.726 0.479 11 0 "[ . 1 . 2]"
1 49 LYS 0.166 0.079 2 0 "[ . 1 . 2]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LYS 7.518 0.969 5 5 "[ - + *1 .* *2]"
1 52 GLU 8.082 0.479 11 0 "[ . 1 . 2]"
1 53 ASN 0.026 0.013 18 0 "[ . 1 . 2]"
1 54 ARG 0.535 0.161 6 0 "[ . 1 . 2]"
1 55 LEU 3.333 0.238 16 0 "[ . 1 . 2]"
1 56 CYS 4.492 0.430 16 0 "[ . 1 . 2]"
1 57 TYR 0.625 0.070 13 0 "[ . 1 . 2]"
1 58 TYR 7.011 0.752 19 1 "[ . 1 . +2]"
1 59 LEU 2.336 0.430 16 0 "[ . 1 . 2]"
1 60 GLY 0.340 0.179 8 0 "[ . 1 . 2]"
1 61 ALA 3.353 0.279 15 0 "[ . 1 . 2]"
1 62 THR 0.532 0.100 13 0 "[ . 1 . 2]"
1 63 LYS 0.025 0.025 1 0 "[ . 1 . 2]"
1 64 ASP 0.002 0.002 12 0 "[ . 1 . 2]"
1 65 ALA 1.863 0.188 1 0 "[ . 1 . 2]"
1 66 ALA 0.054 0.027 2 0 "[ . 1 . 2]"
1 67 THR 1.075 0.188 1 0 "[ . 1 . 2]"
1 68 LYS 0.130 0.130 3 0 "[ . 1 . 2]"
1 69 ILE 1.547 0.360 11 0 "[ . 1 . 2]"
1 70 LEU 2.638 0.360 11 0 "[ . 1 . 2]"
1 71 SER 0.156 0.055 15 0 "[ . 1 . 2]"
1 72 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 VAL 0.804 0.141 17 0 "[ . 1 . 2]"
1 74 THR 0.899 0.126 6 0 "[ . 1 . 2]"
1 75 ARG 2.349 0.224 8 0 "[ . 1 . 2]"
1 76 PRO 1.991 0.224 8 0 "[ . 1 . 2]"
1 77 MET 3.437 0.587 3 2 "[ + . 1- . 2]"
1 78 SER 1.016 0.445 3 0 "[ . 1 . 2]"
1 79 VAL 2.959 0.479 8 0 "[ . 1 . 2]"
1 80 HIS 0.554 0.219 11 0 "[ . 1 . 2]"
1 81 MET 4.978 0.479 8 0 "[ . 1 . 2]"
1 82 PRO 1.748 0.302 17 0 "[ . 1 . 2]"
1 83 ALA 5.010 0.336 10 0 "[ . 1 . 2]"
1 84 MET 3.099 0.336 10 0 "[ . 1 . 2]"
1 85 LYS 0.173 0.090 15 0 "[ . 1 . 2]"
1 86 ILE 0.947 0.302 17 0 "[ . 1 . 2]"
1 87 CYS 0.893 0.247 4 0 "[ . 1 . 2]"
1 88 GLU 0.090 0.090 15 0 "[ . 1 . 2]"
1 89 LYS 0.147 0.081 5 0 "[ . 1 . 2]"
1 90 LEU 0.980 0.247 4 0 "[ . 1 . 2]"
1 91 LYS 1.283 0.167 20 0 "[ . 1 . 2]"
1 92 LYS 0.055 0.055 4 0 "[ . 1 . 2]"
1 93 LEU 2.281 0.160 16 0 "[ . 1 . 2]"
1 94 ASP 1.293 0.442 20 0 "[ . 1 . 2]"
1 95 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 GLN 1.236 0.345 18 0 "[ . 1 . 2]"
1 97 ILE 6.617 0.487 2 0 "[ . 1 . 2]"
1 99 GLU 0.976 0.322 5 0 "[ . 1 . 2]"
1 100 LEU 7.557 0.969 5 4 "[ + *1 .- *2]"
1 101 LYS 0.402 0.185 18 0 "[ . 1 . 2]"
1 102 TYR 3.015 0.502 3 1 "[ + . 1 . 2]"
1 103 GLU 0.051 0.051 8 0 "[ . 1 . 2]"
1 104 LYS 0.412 0.185 18 0 "[ . 1 . 2]"
1 105 THR 0.172 0.154 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 35 ASP H 1 36 THR HB . . 6.000 4.767 4.464 4.985 . 0 0 "[ . 1 . 2]" 1
2 1 34 LEU QB 1 35 ASP H . . 3.600 2.644 2.544 2.729 . 0 0 "[ . 1 . 2]" 1
3 1 18 LEU H 1 18 LEU HG . . 2.400 2.320 2.141 2.415 0.015 11 0 "[ . 1 . 2]" 1
4 1 37 ILE MG 1 38 GLU H . . 6.000 3.701 3.594 3.841 . 0 0 "[ . 1 . 2]" 1
5 1 29 GLY H 1 29 GLY QA . . 2.400 2.233 2.200 2.293 . 0 0 "[ . 1 . 2]" 1
6 1 34 LEU H 1 34 LEU QB . . 3.100 2.261 2.033 2.474 . 0 0 "[ . 1 . 2]" 1
7 1 18 LEU H 1 18 LEU QB . . 2.400 2.441 2.397 2.490 0.090 9 0 "[ . 1 . 2]" 1
8 1 23 LYS H 1 23 LYS QB . . 3.000 2.593 2.077 2.781 . 0 0 "[ . 1 . 2]" 1
9 1 46 LEU H 1 46 LEU QB . . 2.800 2.287 2.205 2.486 . 0 0 "[ . 1 . 2]" 1
10 1 30 VAL HA 1 31 ASN H . . 2.900 2.581 2.132 3.127 0.227 13 0 "[ . 1 . 2]" 1
11 1 48 THR HA 1 49 LYS H . . 2.900 2.745 2.676 2.869 . 0 0 "[ . 1 . 2]" 1
12 1 20 ARG QB 1 21 PHE H . . 3.400 2.582 2.269 2.748 . 0 0 "[ . 1 . 2]" 1
13 1 39 LYS H 1 39 LYS QB . . 2.800 2.306 2.171 2.628 . 0 0 "[ . 1 . 2]" 1
14 1 35 ASP H 1 35 ASP QB . . 3.500 2.334 2.227 2.558 . 0 0 "[ . 1 . 2]" 1
15 1 42 ILE H 1 42 ILE QG . . 4.000 2.411 1.964 3.503 . 0 0 "[ . 1 . 2]" 1
16 1 30 VAL H 1 30 VAL QG . . 3.100 2.016 1.713 2.749 0.087 4 0 "[ . 1 . 2]" 1
17 1 44 PHE H 1 44 PHE QB . . 2.800 2.210 2.126 2.281 . 0 0 "[ . 1 . 2]" 1
18 1 2 GLU HA 1 3 ALA H . . 3.100 2.485 2.136 3.467 0.367 8 0 "[ . 1 . 2]" 1
19 1 45 CYS HA 1 48 THR H . . 6.000 4.462 3.132 5.522 . 0 0 "[ . 1 . 2]" 1
20 1 31 ASN HA 1 32 PHE H . . 3.100 2.721 2.096 3.497 0.397 7 0 "[ . 1 . 2]" 1
21 1 42 ILE H 1 42 ILE HB . . 2.900 2.388 2.224 2.534 . 0 0 "[ . 1 . 2]" 1
22 1 20 ARG H 1 20 ARG QB . . 4.200 2.328 2.109 2.567 . 0 0 "[ . 1 . 2]" 1
23 1 30 VAL H 1 30 VAL HB . . 3.500 3.296 2.483 3.664 0.164 13 0 "[ . 1 . 2]" 1
24 1 45 CYS H 1 45 CYS QB . . 3.300 2.263 2.127 2.787 . 0 0 "[ . 1 . 2]" 1
25 1 41 LEU H 1 41 LEU QB . . 3.100 2.226 2.150 2.291 . 0 0 "[ . 1 . 2]" 1
26 1 28 ARG H 1 29 GLY H . . 3.100 2.520 2.381 2.652 . 0 0 "[ . 1 . 2]" 1
27 1 27 ASP H 1 27 ASP QB . . 3.400 2.257 2.191 2.372 . 0 0 "[ . 1 . 2]" 1
28 1 48 THR MG 1 49 LYS H . . 3.800 2.966 2.537 3.073 . 0 0 "[ . 1 . 2]" 1
29 1 7 PRO HA 1 8 GLY H . . 3.300 2.584 2.241 2.807 . 0 0 "[ . 1 . 2]" 1
30 1 29 GLY H 1 30 VAL H . . 3.300 2.410 2.032 2.743 . 0 0 "[ . 1 . 2]" 1
31 1 9 ALA HA 1 10 ASP H . . 4.000 3.327 2.702 3.529 . 0 0 "[ . 1 . 2]" 1
32 1 28 ARG H 1 28 ARG QB . . 4.100 2.362 2.104 2.752 . 0 0 "[ . 1 . 2]" 1
33 1 48 THR HB 1 49 LYS H . . 2.600 1.845 1.666 1.974 . 0 0 "[ . 1 . 2]" 1
34 1 26 ILE H 1 26 ILE HB . . 3.300 2.594 2.538 2.668 . 0 0 "[ . 1 . 2]" 1
35 1 36 THR H 1 37 ILE H . . 3.100 2.547 2.465 2.628 . 0 0 "[ . 1 . 2]" 1
36 1 38 GLU H 1 38 GLU QB . . 3.400 2.236 2.162 2.309 . 0 0 "[ . 1 . 2]" 1
37 1 36 THR H 1 36 THR HB . . 3.100 2.465 2.318 2.572 . 0 0 "[ . 1 . 2]" 1
38 1 48 THR H 1 48 THR MG . . 4.000 3.211 2.760 3.749 . 0 0 "[ . 1 . 2]" 1
39 1 39 LYS H 1 39 LYS QD . . 6.000 3.908 2.585 4.635 . 0 0 "[ . 1 . 2]" 1
40 1 21 PHE H 1 21 PHE QB . . 3.100 2.223 2.189 2.257 . 0 0 "[ . 1 . 2]" 1
41 1 8 GLY H 1 12 GLU HA . . 6.000 6.156 6.035 6.279 0.279 13 0 "[ . 1 . 2]" 1
42 1 28 ARG H 1 28 ARG QG . . 3.300 2.526 1.736 3.362 0.062 4 0 "[ . 1 . 2]" 1
43 1 23 LYS QB 1 24 SER H . . 4.100 3.339 2.440 3.668 . 0 0 "[ . 1 . 2]" 1
44 1 26 ILE HB 1 27 ASP H . . 3.300 2.551 2.309 2.750 . 0 0 "[ . 1 . 2]" 1
45 1 20 ARG H 1 21 PHE H . . 3.300 2.697 2.460 2.945 . 0 0 "[ . 1 . 2]" 1
46 1 45 CYS H 1 46 LEU H . . 3.400 2.657 2.353 2.937 . 0 0 "[ . 1 . 2]" 1
47 1 23 LYS H 1 23 LYS QD . . 4.100 3.415 2.942 3.874 . 0 0 "[ . 1 . 2]" 1
48 1 39 LYS QB 1 40 GLU H . . 4.000 2.612 2.366 3.067 . 0 0 "[ . 1 . 2]" 1
49 1 35 ASP H 1 36 THR H . . 3.400 2.553 2.395 2.719 . 0 0 "[ . 1 . 2]" 1
50 1 23 LYS H 1 24 SER H . . 3.400 2.509 2.347 2.647 . 0 0 "[ . 1 . 2]" 1
51 1 35 ASP QB 1 36 THR H . . 3.800 2.769 2.477 3.497 . 0 0 "[ . 1 . 2]" 1
52 1 42 ILE HB 1 43 SER H . . 2.700 2.518 2.296 2.778 0.078 2 0 "[ . 1 . 2]" 1
53 1 46 LEU H 1 46 LEU QD . . 4.700 3.363 2.319 3.783 . 0 0 "[ . 1 . 2]" 1
54 1 47 ASP HA 1 48 THR H . . 3.600 3.064 2.397 3.468 . 0 0 "[ . 1 . 2]" 1
55 1 25 LEU H 1 25 LEU QB . . 3.100 2.101 2.021 2.381 . 0 0 "[ . 1 . 2]" 1
56 1 38 GLU QB 1 39 LYS H . . 3.400 2.480 2.240 2.958 . 0 0 "[ . 1 . 2]" 1
57 1 22 TYR H 1 22 TYR QB . . 3.400 2.114 2.026 2.194 . 0 0 "[ . 1 . 2]" 1
58 1 38 GLU H 1 39 LYS H . . 3.600 2.679 2.509 2.827 . 0 0 "[ . 1 . 2]" 1
59 1 43 SER H 1 44 PHE H . . 3.600 2.758 2.579 2.899 . 0 0 "[ . 1 . 2]" 1
60 1 23 LYS H 1 23 LYS QG . . 3.400 2.077 1.749 3.168 0.051 11 0 "[ . 1 . 2]" 1
61 1 37 ILE H 1 37 ILE HB . . 3.400 2.655 2.540 2.858 . 0 0 "[ . 1 . 2]" 1
62 1 37 ILE H 1 38 GLU H . . 3.400 2.607 2.507 2.722 . 0 0 "[ . 1 . 2]" 1
63 1 40 GLU H 1 41 LEU H . . 3.500 2.591 2.329 2.831 . 0 0 "[ . 1 . 2]" 1
64 1 27 ASP H 1 28 ARG H . . 3.600 2.698 2.576 2.869 . 0 0 "[ . 1 . 2]" 1
65 1 25 LEU H 1 26 ILE H . . 3.500 2.594 2.338 2.858 . 0 0 "[ . 1 . 2]" 1
66 1 21 PHE H 1 22 TYR H . . 3.600 2.622 2.494 2.772 . 0 0 "[ . 1 . 2]" 1
67 1 9 ALA H 1 12 GLU HA . . 6.000 5.882 5.340 6.104 0.104 16 0 "[ . 1 . 2]" 1
68 1 47 ASP H 1 48 THR H . . 3.800 2.846 2.276 3.645 . 0 0 "[ . 1 . 2]" 1
69 1 49 LYS H 1 49 LYS QB . . 4.000 2.590 2.450 2.992 . 0 0 "[ . 1 . 2]" 1
70 1 40 GLU H 1 40 GLU QG . . 3.300 2.458 2.200 2.994 . 0 0 "[ . 1 . 2]" 1
71 1 26 ILE H 1 27 ASP H . . 3.500 2.541 2.269 2.727 . 0 0 "[ . 1 . 2]" 1
72 1 22 TYR QB 1 23 LYS H . . 3.500 2.358 2.145 2.602 . 0 0 "[ . 1 . 2]" 1
73 1 19 ASN H 1 19 ASN QB . . 3.100 2.265 2.231 2.290 . 0 0 "[ . 1 . 2]" 1
74 1 44 PHE H 1 45 CYS H . . 3.700 2.558 2.444 2.649 . 0 0 "[ . 1 . 2]" 1
75 1 37 ILE HB 1 38 GLU H . . 3.600 2.757 2.666 2.894 . 0 0 "[ . 1 . 2]" 1
76 1 39 LYS H 1 40 GLU H . . 3.600 2.580 2.353 2.833 . 0 0 "[ . 1 . 2]" 1
77 1 41 LEU H 1 42 ILE H . . 3.600 2.697 2.546 2.880 . 0 0 "[ . 1 . 2]" 1
78 1 26 ILE H 1 26 ILE QG . . 3.300 2.087 1.929 2.250 0.071 20 0 "[ . 1 . 2]" 1
79 1 37 ILE H 1 37 ILE QG . . 3.600 1.939 1.848 2.034 0.052 9 0 "[ . 1 . 2]" 1
80 1 32 PHE H 1 32 PHE QB . . 4.200 3.062 2.304 3.376 . 0 0 "[ . 1 . 2]" 1
81 1 17 PHE QB 1 18 LEU H . . 3.400 2.384 2.334 2.450 . 0 0 "[ . 1 . 2]" 1
82 1 10 ASP H 1 10 ASP QB . . 3.800 2.751 2.411 3.121 . 0 0 "[ . 1 . 2]" 1
83 1 27 ASP QB 1 28 ARG H . . 3.000 2.486 2.144 2.749 . 0 0 "[ . 1 . 2]" 1
84 1 9 ALA H 1 9 ALA MB . . 4.100 2.900 2.816 3.025 . 0 0 "[ . 1 . 2]" 1
85 1 22 TYR H 1 23 LYS H . . 3.800 2.909 2.747 3.004 . 0 0 "[ . 1 . 2]" 1
86 1 40 GLU H 1 40 GLU QB . . 4.100 2.361 2.177 2.477 . 0 0 "[ . 1 . 2]" 1
87 1 13 VAL H 1 13 VAL QG . . 3.800 1.980 1.783 2.165 0.217 16 0 "[ . 1 . 2]" 1
88 1 40 GLU HA 1 44 PHE H . . 4.100 3.526 3.214 4.115 0.015 9 0 "[ . 1 . 2]" 1
89 1 34 LEU H 1 35 ASP H . . 3.900 2.765 2.660 2.998 . 0 0 "[ . 1 . 2]" 1
90 1 1 GLN HA 1 2 GLU H . . 4.000 2.490 2.115 3.398 . 0 0 "[ . 1 . 2]" 1
91 1 48 THR H 1 53 ASN QD . . 3.500 2.386 1.920 2.829 . 0 0 "[ . 1 . 2]" 1
92 1 17 PHE H 1 17 PHE QB . . 3.500 2.260 2.222 2.294 . 0 0 "[ . 1 . 2]" 1
93 1 28 ARG HE 1 28 ARG QG . . 4.300 2.835 2.332 3.397 . 0 0 "[ . 1 . 2]" 1
94 1 39 LYS H 1 43 SER H . . 6.000 5.993 5.804 6.088 0.088 17 0 "[ . 1 . 2]" 1
95 1 53 ASN QB 1 53 ASN QD . . 4.300 2.658 2.625 2.705 . 0 0 "[ . 1 . 2]" 1
96 1 41 LEU QB 1 42 ILE H . . 4.300 2.554 2.340 2.755 . 0 0 "[ . 1 . 2]" 1
97 1 44 PHE QB 1 45 CYS H . . 4.800 2.710 2.487 3.058 . 0 0 "[ . 1 . 2]" 1
98 1 36 THR HB 1 37 ILE H . . 3.500 2.596 2.490 2.797 . 0 0 "[ . 1 . 2]" 1
99 1 26 ILE MG 1 27 ASP H . . 4.800 3.521 3.269 3.732 . 0 0 "[ . 1 . 2]" 1
100 1 33 SER QB 1 37 ILE H . . 5.000 3.665 3.427 3.875 . 0 0 "[ . 1 . 2]" 1
101 1 24 SER QB 1 25 LEU H . . 4.100 2.613 2.264 2.923 . 0 0 "[ . 1 . 2]" 1
102 1 17 PHE H 1 18 LEU H . . 4.100 2.853 2.767 2.930 . 0 0 "[ . 1 . 2]" 1
103 1 28 ARG HA 1 29 GLY H . . 4.500 3.401 3.348 3.493 . 0 0 "[ . 1 . 2]" 1
104 1 42 ILE HA 1 43 SER H . . 4.700 3.550 3.522 3.573 . 0 0 "[ . 1 . 2]" 1
105 1 16 GLU QB 1 17 PHE H . . 5.000 2.396 2.212 2.552 . 0 0 "[ . 1 . 2]" 1
106 1 39 LYS QB 1 41 LEU H . . 6.000 4.754 4.481 5.092 . 0 0 "[ . 1 . 2]" 1
107 1 13 VAL H 1 13 VAL HB . . 4.100 2.612 2.512 2.738 . 0 0 "[ . 1 . 2]" 1
108 1 33 SER QB 1 34 LEU H . . 5.200 3.444 3.189 3.595 . 0 0 "[ . 1 . 2]" 1
109 1 2 GLU H 1 20 ARG HA . . 6.000 4.430 2.479 5.629 . 0 0 "[ . 1 . 2]" 1
110 1 21 PHE HZ 1 41 LEU H . . 4.100 3.074 2.617 3.497 . 0 0 "[ . 1 . 2]" 1
111 1 42 ILE MG 1 43 SER H . . 4.700 3.097 2.785 3.246 . 0 0 "[ . 1 . 2]" 1
112 1 26 ILE HA 1 27 ASP H . . 4.500 3.529 3.477 3.566 . 0 0 "[ . 1 . 2]" 1
113 1 38 GLU H 1 39 LYS QB . . 5.800 4.517 4.194 4.922 . 0 0 "[ . 1 . 2]" 1
114 1 36 THR H 1 36 THR MG . . 5.600 3.746 3.706 3.769 . 0 0 "[ . 1 . 2]" 1
115 1 39 LYS H 1 39 LYS QG . . 5.400 3.427 2.106 4.047 . 0 0 "[ . 1 . 2]" 1
116 1 19 ASN QB 1 20 ARG H . . 3.600 2.452 2.254 2.700 . 0 0 "[ . 1 . 2]" 1
117 1 20 ARG HE 1 20 ARG QG . . 4.700 2.723 2.395 3.286 . 0 0 "[ . 1 . 2]" 1
118 1 23 LYS HA 1 24 SER H . . 4.700 3.492 3.418 3.537 . 0 0 "[ . 1 . 2]" 1
119 1 38 GLU QB 1 40 GLU H . . 6.000 4.648 4.472 5.017 . 0 0 "[ . 1 . 2]" 1
120 1 40 GLU QB 1 41 LEU H . . 4.600 2.733 2.344 3.087 . 0 0 "[ . 1 . 2]" 1
121 1 32 PHE H 1 32 PHE QD . . 4.900 3.805 2.564 4.610 . 0 0 "[ . 1 . 2]" 1
122 1 19 ASN QD 1 22 TYR QE . . 6.000 5.094 4.145 5.725 . 0 0 "[ . 1 . 2]" 1
123 1 31 ASN H 1 36 THR MG . . 5.000 4.279 2.508 5.055 0.055 15 0 "[ . 1 . 2]" 1
124 1 12 GLU QB 1 13 VAL H . . 3.600 2.106 1.783 2.649 0.017 4 0 "[ . 1 . 2]" 1
125 1 34 LEU HA 1 35 ASP H . . 4.500 3.538 3.522 3.564 . 0 0 "[ . 1 . 2]" 1
126 1 38 GLU H 1 74 THR MG . . 4.600 2.942 2.724 3.067 . 0 0 "[ . 1 . 2]" 1
127 1 37 ILE H 1 37 ILE MD . . 5.100 3.214 2.652 3.509 . 0 0 "[ . 1 . 2]" 1
128 1 20 ARG H 1 23 LYS H . . 6.000 4.850 4.608 5.120 . 0 0 "[ . 1 . 2]" 1
129 1 33 SER H 1 37 ILE QG . . 5.000 3.335 2.712 4.046 . 0 0 "[ . 1 . 2]" 1
130 1 33 SER QB 1 35 ASP H . . 4.900 3.522 3.289 3.758 . 0 0 "[ . 1 . 2]" 1
131 1 28 ARG HE 1 30 VAL HB . . 5.000 4.712 3.572 5.138 0.138 2 0 "[ . 1 . 2]" 1
132 1 48 THR H 1 48 THR HB . . 4.800 3.547 3.304 3.753 . 0 0 "[ . 1 . 2]" 1
133 1 49 LYS H 1 49 LYS QG . . 4.100 2.346 1.821 3.405 0.079 2 0 "[ . 1 . 2]" 1
134 1 53 ASN HA 1 53 ASN QD . . 3.300 2.026 1.881 2.146 . 0 0 "[ . 1 . 2]" 1
135 1 45 CYS HA 1 46 LEU H . . 4.800 3.502 3.389 3.566 . 0 0 "[ . 1 . 2]" 1
136 1 17 PHE HA 1 18 LEU H . . 5.000 3.592 3.570 3.619 . 0 0 "[ . 1 . 2]" 1
137 1 96 GLN QE 1 96 GLN QG . . 4.100 2.242 2.115 2.681 . 0 0 "[ . 1 . 2]" 1
138 1 45 CYS HA 1 53 ASN QD . . 4.600 3.688 3.406 4.052 . 0 0 "[ . 1 . 2]" 1
139 1 21 PHE QB 1 22 TYR H . . 5.000 2.322 2.202 2.491 . 0 0 "[ . 1 . 2]" 1
140 1 25 LEU H 1 25 LEU QD . . 5.600 2.720 2.113 3.441 . 0 0 "[ . 1 . 2]" 1
141 1 33 SER H 1 37 ILE MD . . 4.700 3.284 1.885 3.952 0.015 9 0 "[ . 1 . 2]" 1
142 1 45 CYS QB 1 46 LEU H . . 4.600 2.837 2.301 3.729 . 0 0 "[ . 1 . 2]" 1
143 1 38 GLU HA 1 39 LYS H . . 5.100 3.525 3.434 3.567 . 0 0 "[ . 1 . 2]" 1
144 1 32 PHE H 1 33 SER H . . 4.700 2.915 1.832 3.665 0.068 15 0 "[ . 1 . 2]" 1
145 1 36 THR MG 1 37 ILE H . . 5.200 3.411 3.104 3.658 . 0 0 "[ . 1 . 2]" 1
146 1 9 ALA MB 1 10 ASP H . . 3.100 1.730 1.689 1.832 0.011 10 0 "[ . 1 . 2]" 1
147 1 6 ARG H 1 6 ARG QB . . 5.000 2.937 2.258 3.408 . 0 0 "[ . 1 . 2]" 1
148 1 41 LEU H 1 41 LEU QD . . 6.000 3.364 2.463 3.689 . 0 0 "[ . 1 . 2]" 1
149 1 16 GLU H 1 17 PHE H . . 4.500 2.769 2.604 2.922 . 0 0 "[ . 1 . 2]" 1
150 1 37 ILE HA 1 40 GLU H . . 5.100 3.441 3.153 3.812 . 0 0 "[ . 1 . 2]" 1
151 1 44 PHE HA 1 45 CYS H . . 5.200 3.502 3.416 3.534 . 0 0 "[ . 1 . 2]" 1
152 1 37 ILE H 1 38 GLU QB . . 6.000 4.348 4.261 4.537 . 0 0 "[ . 1 . 2]" 1
153 1 21 PHE H 1 21 PHE QD . . 6.000 4.165 4.123 4.189 . 0 0 "[ . 1 . 2]" 1
154 1 49 LYS H 1 52 GLU QB . . 5.800 2.546 1.988 3.080 0.012 20 0 "[ . 1 . 2]" 1
155 1 29 GLY H 1 30 VAL QG . . 6.000 3.222 2.971 3.614 . 0 0 "[ . 1 . 2]" 1
156 1 31 ASN QB 1 32 PHE H . . 4.900 2.916 1.806 3.926 0.194 13 0 "[ . 1 . 2]" 1
157 1 18 LEU H 1 55 LEU QD . . 4.900 4.300 3.912 4.812 . 0 0 "[ . 1 . 2]" 1
158 1 17 PHE QD 1 18 LEU H . . 5.300 3.173 3.028 3.313 . 0 0 "[ . 1 . 2]" 1
159 1 29 GLY QA 1 30 VAL H . . 5.000 2.742 2.593 2.903 . 0 0 "[ . 1 . 2]" 1
160 1 35 ASP H 1 38 GLU H . . 6.000 4.763 4.540 5.060 . 0 0 "[ . 1 . 2]" 1
161 1 9 ALA H 1 10 ASP HA . . 5.400 4.238 3.880 4.601 . 0 0 "[ . 1 . 2]" 1
162 1 96 GLN QB 1 96 GLN QE . . 5.400 2.892 1.655 3.703 0.345 18 0 "[ . 1 . 2]" 1
163 1 26 ILE H 1 26 ILE MD . . 6.000 3.094 2.853 3.301 . 0 0 "[ . 1 . 2]" 1
164 1 19 ASN HA 1 22 TYR H . . 4.900 3.615 3.338 3.947 . 0 0 "[ . 1 . 2]" 1
165 1 25 LEU QB 1 26 ILE H . . 3.600 2.741 2.477 2.987 . 0 0 "[ . 1 . 2]" 1
166 1 46 LEU HA 1 48 THR H . . 5.200 3.914 3.679 4.155 . 0 0 "[ . 1 . 2]" 1
167 1 20 ARG HA 1 23 LYS H . . 4.500 3.585 3.302 4.053 . 0 0 "[ . 1 . 2]" 1
168 1 43 SER HA 1 46 LEU H . . 5.200 3.668 3.380 4.083 . 0 0 "[ . 1 . 2]" 1
169 1 17 PHE HA 1 21 PHE H . . 5.100 3.867 3.645 4.103 . 0 0 "[ . 1 . 2]" 1
170 1 42 ILE H 1 45 CYS H . . 5.200 4.663 4.462 4.796 . 0 0 "[ . 1 . 2]" 1
171 1 49 LYS HA 1 53 ASN QD . . 6.000 3.571 3.253 3.963 . 0 0 "[ . 1 . 2]" 1
172 1 21 PHE H 1 44 PHE HZ . . 6.000 3.954 3.270 4.888 . 0 0 "[ . 1 . 2]" 1
173 1 26 ILE HA 1 28 ARG H . . 5.400 4.593 4.302 4.790 . 0 0 "[ . 1 . 2]" 1
174 1 8 GLY H 1 9 ALA H . . 4.700 2.409 2.075 2.701 . 0 0 "[ . 1 . 2]" 1
175 1 40 GLU HA 1 41 LEU H . . 5.400 3.528 3.435 3.573 . 0 0 "[ . 1 . 2]" 1
176 1 28 ARG QB 1 29 GLY H . . 5.600 3.180 2.742 3.775 . 0 0 "[ . 1 . 2]" 1
177 1 34 LEU HA 1 37 ILE H . . 5.000 3.401 3.263 3.757 . 0 0 "[ . 1 . 2]" 1
178 1 28 ARG H 1 30 VAL QG . . 6.000 3.584 3.073 4.143 . 0 0 "[ . 1 . 2]" 1
179 1 20 ARG QG 1 21 PHE H . . 6.000 4.079 3.457 4.360 . 0 0 "[ . 1 . 2]" 1
180 1 19 ASN H 1 83 ALA MB . . 6.000 5.344 5.044 5.767 . 0 0 "[ . 1 . 2]" 1
181 1 18 LEU H 1 18 LEU MD2 . . 5.600 3.393 3.219 3.571 . 0 0 "[ . 1 . 2]" 1
182 1 31 ASN H 1 32 PHE H . . 5.400 3.858 1.869 4.545 0.131 14 0 "[ . 1 . 2]" 1
183 1 18 LEU HA 1 22 TYR H . . 5.400 3.831 3.594 4.065 . 0 0 "[ . 1 . 2]" 1
184 1 35 ASP HA 1 38 GLU H . . 5.400 3.581 3.328 3.871 . 0 0 "[ . 1 . 2]" 1
185 1 42 ILE QG 1 43 SER H . . 6.000 4.114 3.885 4.532 . 0 0 "[ . 1 . 2]" 1
186 1 39 LYS H 1 41 LEU QB . . 6.000 4.832 4.536 5.206 . 0 0 "[ . 1 . 2]" 1
187 1 30 VAL HB 1 31 ASN H . . 6.000 4.134 1.849 4.660 0.151 16 0 "[ . 1 . 2]" 1
188 1 5 GLY H 1 5 GLY QA . . 5.800 2.285 2.198 2.458 . 0 0 "[ . 1 . 2]" 1
189 1 33 SER H 1 36 THR HB . . 5.200 3.772 3.214 4.128 . 0 0 "[ . 1 . 2]" 1
190 1 18 LEU H 1 83 ALA MB . . 6.000 5.967 5.662 6.157 0.157 10 0 "[ . 1 . 2]" 1
191 1 21 PHE HA 1 24 SER H . . 5.400 3.636 3.385 3.871 . 0 0 "[ . 1 . 2]" 1
192 1 37 ILE HA 1 38 GLU H . . 5.200 3.492 3.468 3.525 . 0 0 "[ . 1 . 2]" 1
193 1 30 VAL H 1 31 ASN H . . 5.600 3.433 2.072 4.403 . 0 0 "[ . 1 . 2]" 1
194 1 25 LEU HA 1 28 ARG H . . 5.200 3.533 3.266 3.726 . 0 0 "[ . 1 . 2]" 1
195 1 35 ASP H 1 38 GLU QB . . 6.000 4.785 4.489 5.391 . 0 0 "[ . 1 . 2]" 1
196 1 47 ASP QB 1 48 THR H . . 6.000 3.383 2.789 4.022 . 0 0 "[ . 1 . 2]" 1
197 1 31 ASN QB 1 33 SER H . . 5.800 4.685 4.161 5.258 . 0 0 "[ . 1 . 2]" 1
198 1 21 PHE QE 1 31 ASN QD . . 5.600 4.535 3.940 4.897 . 0 0 "[ . 1 . 2]" 1
199 1 45 CYS H 1 61 ALA MB . . 5.800 4.322 3.609 4.887 . 0 0 "[ . 1 . 2]" 1
200 1 37 ILE MG 1 41 LEU H . . 5.800 3.863 3.642 4.135 . 0 0 "[ . 1 . 2]" 1
201 1 26 ILE QG 1 27 ASP H . . 5.800 3.851 3.638 4.048 . 0 0 "[ . 1 . 2]" 1
202 1 21 PHE H 1 44 PHE QE . . 6.000 3.775 3.325 4.435 . 0 0 "[ . 1 . 2]" 1
203 1 21 PHE QE 1 41 LEU H . . 6.000 3.439 3.087 3.818 . 0 0 "[ . 1 . 2]" 1
204 1 20 ARG H 1 22 TYR H . . 5.800 4.120 3.871 4.395 . 0 0 "[ . 1 . 2]" 1
205 1 27 ASP H 1 28 ARG QB . . 6.000 4.691 4.414 5.067 . 0 0 "[ . 1 . 2]" 1
206 1 8 GLY H 1 15 LYS QB . . 6.000 2.980 1.977 3.875 0.023 14 0 "[ . 1 . 2]" 1
207 1 38 GLU H 1 40 GLU H . . 5.800 4.033 3.903 4.326 . 0 0 "[ . 1 . 2]" 1
208 1 18 LEU QB 1 19 ASN H . . 4.700 2.501 2.312 2.803 . 0 0 "[ . 1 . 2]" 1
209 1 24 SER HA 1 25 LEU H . . 5.600 3.517 3.455 3.575 . 0 0 "[ . 1 . 2]" 1
210 1 35 ASP HA 1 36 THR H . . 5.600 3.470 3.365 3.512 . 0 0 "[ . 1 . 2]" 1
211 1 21 PHE HZ 1 31 ASN QD . . 6.000 5.191 4.826 5.538 . 0 0 "[ . 1 . 2]" 1
212 1 21 PHE QE 1 44 PHE H . . 6.000 3.936 3.446 4.472 . 0 0 "[ . 1 . 2]" 1
213 1 48 THR H 1 49 LYS QG . . 6.000 5.651 5.233 5.873 . 0 0 "[ . 1 . 2]" 1
214 1 41 LEU QD 1 45 CYS H . . 6.000 4.575 4.064 4.857 . 0 0 "[ . 1 . 2]" 1
215 1 28 ARG QB 1 30 VAL H . . 5.200 3.309 2.729 4.744 . 0 0 "[ . 1 . 2]" 1
216 1 20 ARG HE 1 44 PHE HZ . . 5.800 3.480 2.206 5.796 . 0 0 "[ . 1 . 2]" 1
217 1 33 SER QB 1 36 THR H . . 3.400 2.701 2.546 2.864 . 0 0 "[ . 1 . 2]" 1
218 1 20 ARG H 1 20 ARG QG . . 5.100 2.872 2.098 4.009 . 0 0 "[ . 1 . 2]" 1
219 1 13 VAL H 1 101 LYS HA . . 5.800 3.763 2.423 4.460 . 0 0 "[ . 1 . 2]" 1
220 1 12 GLU QG 1 13 VAL H . . 6.000 3.140 2.590 4.541 . 0 0 "[ . 1 . 2]" 1
221 1 32 PHE QB 1 33 SER H . . 6.000 3.146 2.287 3.977 . 0 0 "[ . 1 . 2]" 1
222 1 21 PHE QD 1 22 TYR H . . 6.000 3.463 3.137 3.949 . 0 0 "[ . 1 . 2]" 1
223 1 34 LEU H 1 37 ILE QG . . 6.000 4.383 3.469 4.887 . 0 0 "[ . 1 . 2]" 1
224 1 44 PHE H 1 46 LEU H . . 6.000 4.130 3.844 4.451 . 0 0 "[ . 1 . 2]" 1
225 1 2 GLU H 1 20 ARG H . . 6.000 5.937 4.613 6.202 0.202 16 0 "[ . 1 . 2]" 1
226 1 28 ARG H 1 28 ARG HE . . 6.000 4.668 3.397 5.328 . 0 0 "[ . 1 . 2]" 1
227 1 48 THR H 1 49 LYS HA . . 6.000 5.129 4.587 5.525 . 0 0 "[ . 1 . 2]" 1
228 1 44 PHE H 1 44 PHE QD . . 6.000 4.108 3.974 4.205 . 0 0 "[ . 1 . 2]" 1
229 1 37 ILE H 1 37 ILE MG . . 6.000 3.771 3.758 3.785 . 0 0 "[ . 1 . 2]" 1
230 1 44 PHE QD 1 45 CYS H . . 6.000 4.037 3.414 4.578 . 0 0 "[ . 1 . 2]" 1
231 1 16 GLU HA 1 19 ASN H . . 6.000 4.054 3.474 4.326 . 0 0 "[ . 1 . 2]" 1
232 1 48 THR H 1 49 LYS H . . 6.000 4.395 4.244 4.508 . 0 0 "[ . 1 . 2]" 1
233 1 46 LEU H 1 48 THR MG . . 6.000 5.486 5.175 6.096 0.096 16 0 "[ . 1 . 2]" 1
234 1 28 ARG HE 1 30 VAL QG . . 6.000 2.582 1.929 4.107 0.071 18 0 "[ . 1 . 2]" 1
235 1 27 ASP H 1 29 GLY H . . 6.000 3.839 3.732 3.927 . 0 0 "[ . 1 . 2]" 1
236 1 39 LYS H 1 41 LEU H . . 6.000 4.094 3.861 4.426 . 0 0 "[ . 1 . 2]" 1
237 1 18 LEU H 1 18 LEU MD1 . . 6.000 3.595 3.450 3.704 . 0 0 "[ . 1 . 2]" 1
238 1 45 CYS H 1 48 THR MG . . 6.000 5.204 4.915 5.737 . 0 0 "[ . 1 . 2]" 1
239 1 26 ILE MD 1 27 ASP H . . 6.000 4.554 4.415 4.663 . 0 0 "[ . 1 . 2]" 1
240 1 24 SER H 1 26 ILE H . . 6.000 4.129 3.932 4.331 . 0 0 "[ . 1 . 2]" 1
241 1 48 THR H 1 53 ASN HA . . 6.000 5.005 4.254 5.359 . 0 0 "[ . 1 . 2]" 1
242 1 26 ILE H 1 28 ARG H . . 6.000 4.094 3.891 4.344 . 0 0 "[ . 1 . 2]" 1
243 1 26 ILE H 1 30 VAL H . . 6.000 5.050 4.742 5.654 . 0 0 "[ . 1 . 2]" 1
244 1 34 LEU H 1 34 LEU MD2 . . 5.200 2.553 1.975 4.135 0.025 18 0 "[ . 1 . 2]" 1
245 1 25 LEU H 1 26 ILE QG . . 6.000 4.012 3.706 4.267 . 0 0 "[ . 1 . 2]" 1
246 1 21 PHE QD 1 24 SER H . . 6.000 5.490 5.237 5.737 . 0 0 "[ . 1 . 2]" 1
247 1 21 PHE HA 1 25 LEU H . . 6.000 4.103 3.637 4.414 . 0 0 "[ . 1 . 2]" 1
248 1 31 ASN QD 1 78 SER QB . . 6.000 4.149 3.511 4.797 . 0 0 "[ . 1 . 2]" 1
249 1 28 ARG HE 1 44 PHE QD . . 6.000 5.904 5.235 6.114 0.114 17 0 "[ . 1 . 2]" 1
250 1 6 ARG HA 1 6 ARG HE . . 6.000 4.494 3.397 6.008 0.008 18 0 "[ . 1 . 2]" 1
251 1 38 GLU QB 1 41 LEU H . . 6.000 5.074 4.861 5.370 . 0 0 "[ . 1 . 2]" 1
252 1 37 ILE HA 1 41 LEU H . . 6.000 3.801 3.583 4.048 . 0 0 "[ . 1 . 2]" 1
253 1 33 SER H 1 35 ASP H . . 6.000 5.760 5.519 6.016 0.016 17 0 "[ . 1 . 2]" 1
254 1 49 LYS H 1 50 GLY QA . . 6.000 5.215 5.169 5.250 . 0 0 "[ . 1 . 2]" 1
255 1 25 LEU QD 1 30 VAL H . . 6.000 4.086 3.610 4.363 . 0 0 "[ . 1 . 2]" 1
256 1 46 LEU QB 1 48 THR H . . 5.600 4.725 4.575 4.921 . 0 0 "[ . 1 . 2]" 1
257 1 41 LEU QD 1 42 ILE H . . 6.000 4.046 3.870 4.203 . 0 0 "[ . 1 . 2]" 1
258 1 44 PHE H 1 45 CYS QB . . 6.000 4.381 4.171 4.962 . 0 0 "[ . 1 . 2]" 1
259 1 31 ASN QD 1 36 THR MG . . 6.000 5.184 4.499 5.778 . 0 0 "[ . 1 . 2]" 1
260 1 44 PHE H 1 46 LEU QB . . 6.000 5.267 4.779 5.835 . 0 0 "[ . 1 . 2]" 1
261 1 7 PRO QB 1 8 GLY H . . 6.000 3.954 3.691 4.044 . 0 0 "[ . 1 . 2]" 1
262 1 20 ARG HE 1 44 PHE QE . . 6.000 4.012 3.106 5.988 . 0 0 "[ . 1 . 2]" 1
263 1 28 ARG H 1 28 ARG QD . . 6.000 4.024 3.119 4.765 . 0 0 "[ . 1 . 2]" 1
264 1 26 ILE H 1 29 GLY QA . . 6.000 5.667 5.150 5.811 . 0 0 "[ . 1 . 2]" 1
265 1 45 CYS H 1 46 LEU QB . . 6.000 4.530 4.143 4.993 . 0 0 "[ . 1 . 2]" 1
266 1 46 LEU H 1 48 THR H . . 6.000 4.363 3.837 5.156 . 0 0 "[ . 1 . 2]" 1
267 1 30 VAL QG 1 33 SER H . . 6.000 5.063 4.078 5.701 . 0 0 "[ . 1 . 2]" 1
268 1 20 ARG QB 1 20 ARG HE . . 6.000 2.191 1.726 2.592 0.274 5 0 "[ . 1 . 2]" 1
269 1 16 GLU QB 1 18 LEU H . . 6.000 4.813 4.693 4.985 . 0 0 "[ . 1 . 2]" 1
270 1 39 LYS HA 1 41 LEU H . . 6.000 4.457 4.157 4.742 . 0 0 "[ . 1 . 2]" 1
271 1 35 ASP HA 1 37 ILE H . . 6.000 4.627 4.455 4.785 . 0 0 "[ . 1 . 2]" 1
272 1 42 ILE H 1 44 PHE H . . 6.000 4.216 3.852 4.464 . 0 0 "[ . 1 . 2]" 1
273 1 25 LEU QB 1 29 GLY H . . 6.000 5.013 4.596 5.273 . 0 0 "[ . 1 . 2]" 1
274 1 40 GLU QG 1 41 LEU H . . 6.000 4.236 4.036 4.520 . 0 0 "[ . 1 . 2]" 1
275 1 22 TYR H 1 24 SER H . . 6.000 4.096 3.801 4.304 . 0 0 "[ . 1 . 2]" 1
276 1 19 ASN HA 1 23 LYS H . . 6.000 4.095 3.883 4.393 . 0 0 "[ . 1 . 2]" 1
277 1 23 LYS H 1 26 ILE MD . . 6.000 6.013 5.674 6.087 0.087 4 0 "[ . 1 . 2]" 1
278 1 29 GLY H 1 31 ASN H . . 6.000 5.427 4.156 6.124 0.124 5 0 "[ . 1 . 2]" 1
279 1 21 PHE H 1 22 TYR QB . . 6.000 4.167 3.932 4.353 . 0 0 "[ . 1 . 2]" 1
280 1 17 PHE H 1 55 LEU QD . . 6.000 3.489 2.948 4.054 . 0 0 "[ . 1 . 2]" 1
281 1 26 ILE HA 1 31 ASN H . . 6.000 5.443 4.180 6.090 0.090 4 0 "[ . 1 . 2]" 1
282 1 21 PHE H 1 23 LYS H . . 6.000 4.348 4.018 4.594 . 0 0 "[ . 1 . 2]" 1
283 1 23 LYS QD 1 24 SER H . . 6.000 2.917 2.123 4.674 . 0 0 "[ . 1 . 2]" 1
284 1 38 GLU H 1 74 THR HB . . 6.000 4.160 3.776 4.511 . 0 0 "[ . 1 . 2]" 1
285 1 23 LYS QG 1 24 SER H . . 6.000 3.028 2.216 4.498 . 0 0 "[ . 1 . 2]" 1
286 1 38 GLU HA 1 41 LEU H . . 4.700 3.654 3.373 4.004 . 0 0 "[ . 1 . 2]" 1
287 1 49 LYS H 1 102 TYR QE . . 6.000 5.154 4.554 5.963 . 0 0 "[ . 1 . 2]" 1
288 1 33 SER H 1 37 ILE H . . 6.000 4.493 4.078 5.010 . 0 0 "[ . 1 . 2]" 1
289 1 36 THR MG 1 40 GLU H . . 6.000 3.807 3.454 4.148 . 0 0 "[ . 1 . 2]" 1
290 1 22 TYR QD 1 23 LYS H . . 6.000 3.540 2.939 4.408 . 0 0 "[ . 1 . 2]" 1
291 1 42 ILE HA 1 46 LEU H . . 6.000 4.472 3.781 5.063 . 0 0 "[ . 1 . 2]" 1
292 1 28 ARG H 1 29 GLY QA . . 6.000 4.425 4.336 4.552 . 0 0 "[ . 1 . 2]" 1
293 1 22 TYR HA 1 25 LEU H . . 6.000 4.019 3.727 4.213 . 0 0 "[ . 1 . 2]" 1
294 1 34 LEU MD2 1 35 ASP H . . 6.000 4.344 4.085 4.656 . 0 0 "[ . 1 . 2]" 1
295 1 19 ASN HA 1 20 ARG H . . 6.000 3.559 3.515 3.605 . 0 0 "[ . 1 . 2]" 1
296 1 18 LEU MD2 1 21 PHE H . . 6.000 5.311 5.049 5.588 . 0 0 "[ . 1 . 2]" 1
297 1 48 THR HB 1 53 ASN QD . . 6.000 3.021 2.738 3.188 . 0 0 "[ . 1 . 2]" 1
298 1 34 LEU HA 1 36 THR H . . 6.000 4.158 3.789 4.440 . 0 0 "[ . 1 . 2]" 1
299 1 33 SER H 1 36 THR MG . . 5.200 4.616 3.872 5.026 . 0 0 "[ . 1 . 2]" 1
300 1 31 ASN H 1 36 THR HB . . 6.000 5.315 4.134 6.031 0.031 3 0 "[ . 1 . 2]" 1
301 1 36 THR HA 1 38 GLU H . . 6.000 4.035 3.943 4.104 . 0 0 "[ . 1 . 2]" 1
302 1 41 LEU QD 1 44 PHE H . . 6.000 4.890 4.495 5.165 . 0 0 "[ . 1 . 2]" 1
303 1 26 ILE HB 1 26 ILE MG . . 2.200 2.127 2.124 2.129 . 0 0 "[ . 1 . 2]" 1
304 1 42 ILE HB 1 42 ILE MG . . 2.200 2.120 2.113 2.125 . 0 0 "[ . 1 . 2]" 1
305 1 86 ILE QG 1 89 LYS QE . . 5.000 2.433 1.919 3.616 0.081 5 0 "[ . 1 . 2]" 1
306 1 97 ILE HA 1 97 ILE QG . . 3.500 2.401 2.271 2.503 . 0 0 "[ . 1 . 2]" 1
307 1 33 SER QB 1 36 THR HB . . 2.200 1.915 1.527 2.188 . 0 0 "[ . 1 . 2]" 1
308 1 70 LEU HA 1 70 LEU QD . . 2.600 2.366 1.926 2.628 0.028 7 0 "[ . 1 . 2]" 1
309 1 55 LEU QB 1 55 LEU QD . . 2.200 1.913 1.892 1.940 0.108 12 0 "[ . 1 . 2]" 1
310 1 31 ASN HA 1 31 ASN QB . . 2.600 2.410 2.331 2.465 . 0 0 "[ . 1 . 2]" 1
311 1 73 VAL HB 1 73 VAL MG2 . . 2.500 2.129 2.124 2.131 . 0 0 "[ . 1 . 2]" 1
312 1 102 TYR HA 1 102 TYR QB . . 2.800 2.404 2.343 2.522 . 0 0 "[ . 1 . 2]" 1
313 1 15 LYS HA 1 15 LYS QB . . 2.600 2.210 2.159 2.385 . 0 0 "[ . 1 . 2]" 1
314 1 46 LEU HA 1 46 LEU QD . . 2.900 2.016 1.799 2.846 0.001 10 0 "[ . 1 . 2]" 1
315 1 73 VAL MG1 1 77 MET ME . . 2.700 2.550 2.167 2.792 0.092 15 0 "[ . 1 . 2]" 1
316 1 41 LEU QB 1 41 LEU HG . . 2.500 2.366 2.150 2.414 . 0 0 "[ . 1 . 2]" 1
317 1 6 ARG QD 1 6 ARG QG . . 3.000 2.057 1.993 2.092 . 0 0 "[ . 1 . 2]" 1
318 1 84 MET ME 1 84 MET QG . . 2.700 2.400 2.152 2.615 . 0 0 "[ . 1 . 2]" 1
319 1 71 SER HA 1 71 SER QB . . 2.500 2.266 2.171 2.356 . 0 0 "[ . 1 . 2]" 1
320 1 18 LEU HA 1 18 LEU MD2 . . 2.700 2.027 1.939 2.163 . 0 0 "[ . 1 . 2]" 1
321 1 90 LEU QD 1 91 LYS QG . . 6.000 4.868 4.626 5.174 . 0 0 "[ . 1 . 2]" 1
322 1 7 PRO QD 1 7 PRO QG . . 2.700 1.959 1.941 1.974 0.059 10 0 "[ . 1 . 2]" 1
323 1 25 LEU HA 1 30 VAL QG . . 2.800 2.145 1.624 2.938 0.176 12 0 "[ . 1 . 2]" 1
324 1 23 LYS HA 1 23 LYS QB . . 2.500 2.219 2.158 2.480 . 0 0 "[ . 1 . 2]" 1
325 1 76 PRO QD 1 76 PRO QG . . 2.500 1.967 1.958 1.977 . 0 0 "[ . 1 . 2]" 1
326 1 42 ILE HA 1 42 ILE MG . . 2.800 2.511 2.416 2.689 . 0 0 "[ . 1 . 2]" 1
327 1 86 ILE HA 1 86 ILE MG . . 2.900 2.495 2.429 2.576 . 0 0 "[ . 1 . 2]" 1
328 1 25 LEU QD 1 30 VAL QG . . 3.000 1.987 1.615 2.336 0.385 14 0 "[ . 1 . 2]" 1
329 1 81 MET ME 1 89 LYS QE . . 6.000 4.417 3.702 5.113 . 0 0 "[ . 1 . 2]" 1
330 1 15 LYS QB 1 15 LYS QE . . 2.900 2.081 1.869 2.249 . 0 0 "[ . 1 . 2]" 1
331 1 101 LYS QE 1 101 LYS QG . . 2.800 2.230 2.109 2.387 . 0 0 "[ . 1 . 2]" 1
332 1 88 GLU HA 1 88 GLU QB . . 2.800 2.384 2.301 2.469 . 0 0 "[ . 1 . 2]" 1
333 1 63 LYS HA 1 63 LYS QB . . 2.700 2.370 2.317 2.408 . 0 0 "[ . 1 . 2]" 1
334 1 16 GLU HA 1 19 ASN QB . . 4.600 3.343 2.190 4.063 . 0 0 "[ . 1 . 2]" 1
335 1 83 ALA HA 1 83 ALA MB . . 2.500 2.111 2.104 2.122 . 0 0 "[ . 1 . 2]" 1
336 1 45 CYS HA 1 48 THR MG . . 6.000 3.869 3.182 4.736 . 0 0 "[ . 1 . 2]" 1
337 1 16 GLU HA 1 16 GLU QB . . 2.800 2.396 2.330 2.492 . 0 0 "[ . 1 . 2]" 1
338 1 93 LEU HA 1 93 LEU MD2 . . 3.600 3.289 1.995 3.760 0.160 11 0 "[ . 1 . 2]" 1
339 1 20 ARG HA 1 20 ARG QB . . 4.400 2.404 2.292 2.508 . 0 0 "[ . 1 . 2]" 1
340 1 81 MET HA 1 82 PRO QD . . 3.000 2.020 1.874 2.224 . 0 0 "[ . 1 . 2]" 1
341 1 31 ASN H 1 31 ASN QB . . 3.100 2.705 2.250 3.009 . 0 0 "[ . 1 . 2]" 1
342 1 84 MET HA 1 84 MET QB . . 2.800 2.233 2.150 2.344 . 0 0 "[ . 1 . 2]" 1
343 1 37 ILE MG 1 77 MET QB . . 2.800 2.056 1.774 2.617 . 0 0 "[ . 1 . 2]" 1
344 1 99 GLU HA 1 99 GLU QB . . 3.100 2.363 2.153 2.551 . 0 0 "[ . 1 . 2]" 1
345 1 14 CYS HA 1 55 LEU QD . . 2.800 1.803 1.560 2.119 0.140 20 0 "[ . 1 . 2]" 1
346 1 34 LEU HA 1 34 LEU QB . . 2.800 2.446 2.358 2.534 . 0 0 "[ . 1 . 2]" 1
347 1 93 LEU HA 1 93 LEU HG . . 3.000 2.614 2.414 3.053 0.053 20 0 "[ . 1 . 2]" 1
348 1 85 LYS HA 1 88 GLU QB . . 2.800 2.552 1.910 2.800 0.090 15 0 "[ . 1 . 2]" 1
349 1 58 TYR QB 1 97 ILE MD . . 2.900 2.611 2.064 2.973 0.073 6 0 "[ . 1 . 2]" 1
350 1 25 LEU HA 1 25 LEU QB . . 3.000 2.503 2.378 2.532 . 0 0 "[ . 1 . 2]" 1
351 1 48 THR HA 1 48 THR MG . . 3.100 2.183 2.139 2.208 . 0 0 "[ . 1 . 2]" 1
352 1 89 LYS HA 1 89 LYS QG . . 3.300 2.479 2.200 3.252 . 0 0 "[ . 1 . 2]" 1
353 1 73 VAL HA 1 73 VAL MG1 . . 3.100 2.392 2.359 2.420 . 0 0 "[ . 1 . 2]" 1
354 1 89 LYS QB 1 90 LEU HA . . 6.000 3.974 3.802 4.447 . 0 0 "[ . 1 . 2]" 1
355 1 41 LEU QB 1 41 LEU QD . . 3.300 1.943 1.914 2.049 . 0 0 "[ . 1 . 2]" 1
356 1 63 LYS QB 1 63 LYS QE . . 3.000 2.034 1.832 2.820 . 0 0 "[ . 1 . 2]" 1
357 1 69 ILE HB 1 73 VAL MG2 . . 6.000 4.894 3.422 5.425 . 0 0 "[ . 1 . 2]" 1
358 1 90 LEU HA 1 90 LEU QD . . 3.100 1.857 1.715 1.992 . 0 0 "[ . 1 . 2]" 1
359 1 59 LEU HA 1 59 LEU QD . . 3.300 2.044 1.883 2.286 0.117 17 0 "[ . 1 . 2]" 1
360 1 90 LEU HA 1 90 LEU QB . . 3.000 2.447 2.365 2.515 . 0 0 "[ . 1 . 2]" 1
361 1 13 VAL MG1 1 13 VAL MG2 . . 3.100 2.083 2.073 2.091 . 0 0 "[ . 1 . 2]" 1
362 1 26 ILE HA 1 26 ILE MD . . 3.000 2.069 1.991 2.185 . 0 0 "[ . 1 . 2]" 1
363 1 74 THR HA 1 74 THR MG . . 3.000 2.265 2.231 2.321 . 0 0 "[ . 1 . 2]" 1
364 1 38 GLU HA 1 74 THR MG . . 3.100 2.329 2.102 2.636 . 0 0 "[ . 1 . 2]" 1
365 1 49 LYS QB 1 51 LYS HA . . 6.000 5.565 5.359 5.856 . 0 0 "[ . 1 . 2]" 1
366 1 41 LEU HA 1 41 LEU QD . . 3.100 1.948 1.717 2.067 0.283 9 0 "[ . 1 . 2]" 1
367 1 75 ARG HA 1 75 ARG QG . . 2.900 2.347 2.022 2.993 0.093 8 0 "[ . 1 . 2]" 1
368 1 81 MET QG 1 82 PRO QD . . 3.300 2.452 1.787 3.053 0.213 5 0 "[ . 1 . 2]" 1
369 1 51 LYS HA 1 51 LYS QG . . 3.000 2.563 2.299 2.890 . 0 0 "[ . 1 . 2]" 1
370 1 58 TYR HA 1 58 TYR QD . . 3.100 2.763 2.181 3.524 0.424 17 0 "[ . 1 . 2]" 1
371 1 25 LEU HA 1 25 LEU QD . . 3.100 1.823 1.722 1.986 0.278 9 0 "[ . 1 . 2]" 1
372 1 13 VAL QG 1 51 LYS QB . . 3.900 2.735 2.099 3.391 . 0 0 "[ . 1 . 2]" 1
373 1 26 ILE HA 1 26 ILE MG . . 3.300 2.371 2.318 2.434 . 0 0 "[ . 1 . 2]" 1
374 1 76 PRO QG 1 81 MET ME . . 4.800 3.091 2.101 3.824 . 0 0 "[ . 1 . 2]" 1
375 1 81 MET ME 1 81 MET QG . . 3.100 2.354 2.198 2.475 . 0 0 "[ . 1 . 2]" 1
376 1 96 GLN HA 1 96 GLN QB . . 3.300 2.379 2.329 2.461 . 0 0 "[ . 1 . 2]" 1
377 1 17 PHE QD 1 18 LEU HA . . 3.300 2.863 2.620 3.251 . 0 0 "[ . 1 . 2]" 1
378 1 13 VAL HB 1 100 LEU QB . . 3.600 2.755 2.168 3.584 . 0 0 "[ . 1 . 2]" 1
379 1 87 CYS HA 1 90 LEU QB . . 3.000 2.264 1.753 2.758 0.247 4 0 "[ . 1 . 2]" 1
380 1 56 CYS HA 1 59 LEU QD . . 3.400 2.703 1.879 3.365 0.121 8 0 "[ . 1 . 2]" 1
381 1 59 LEU HA 1 59 LEU QB . . 3.100 2.399 2.336 2.499 . 0 0 "[ . 1 . 2]" 1
382 1 52 GLU HA 1 55 LEU QD . . 3.400 2.756 1.974 3.222 0.026 12 0 "[ . 1 . 2]" 1
383 1 12 GLU QB 1 99 GLU HA . . 6.000 5.140 3.692 5.865 . 0 0 "[ . 1 . 2]" 1
384 1 36 THR HA 1 36 THR MG . . 3.300 2.426 2.341 2.530 . 0 0 "[ . 1 . 2]" 1
385 1 90 LEU QB 1 97 ILE MD . . 3.100 2.374 1.736 3.025 . 0 0 "[ . 1 . 2]" 1
386 1 17 PHE HA 1 17 PHE QB . . 3.100 2.362 2.316 2.402 . 0 0 "[ . 1 . 2]" 1
387 1 34 LEU MD2 1 75 ARG HA . . 3.600 2.928 1.791 3.449 0.009 6 0 "[ . 1 . 2]" 1
388 1 87 CYS HA 1 90 LEU QD . . 3.800 2.266 1.778 3.219 0.022 1 0 "[ . 1 . 2]" 1
389 1 18 LEU MD2 1 77 MET ME . . 3.300 1.975 1.743 2.222 . 0 0 "[ . 1 . 2]" 1
390 1 13 VAL HA 1 13 VAL QG . . 3.300 2.151 2.108 2.351 . 0 0 "[ . 1 . 2]" 1
391 1 81 MET ME 1 86 ILE MD . . 3.300 2.564 1.981 3.306 0.006 4 0 "[ . 1 . 2]" 1
392 1 89 LYS QB 1 89 LYS QE . . 3.600 2.818 1.834 3.398 0.066 4 0 "[ . 1 . 2]" 1
393 1 74 THR HA 1 74 THR HB . . 3.000 2.541 2.492 2.588 . 0 0 "[ . 1 . 2]" 1
394 1 42 ILE HA 1 61 ALA MB . . 3.300 3.115 2.489 3.397 0.097 13 0 "[ . 1 . 2]" 1
395 1 73 VAL HA 1 73 VAL MG2 . . 3.400 2.396 2.349 2.423 . 0 0 "[ . 1 . 2]" 1
396 1 18 LEU HA 1 21 PHE QB . . 3.100 2.743 2.576 2.881 . 0 0 "[ . 1 . 2]" 1
397 1 21 PHE HA 1 21 PHE QD . . 3.400 2.569 2.213 2.837 . 0 0 "[ . 1 . 2]" 1
398 1 24 SER QB 1 44 PHE QE . . 3.600 3.037 2.668 3.342 . 0 0 "[ . 1 . 2]" 1
399 1 51 LYS QE 1 51 LYS QG . . 3.800 2.247 2.125 2.454 . 0 0 "[ . 1 . 2]" 1
400 1 7 PRO QB 1 84 MET ME . . 6.000 5.100 3.373 5.866 . 0 0 "[ . 1 . 2]" 1
401 1 7 PRO QB 1 7 PRO QD . . 4.100 2.947 2.769 3.009 . 0 0 "[ . 1 . 2]" 1
402 1 90 LEU QB 1 90 LEU QD . . 3.300 1.960 1.926 2.059 . 0 0 "[ . 1 . 2]" 1
403 1 6 ARG HA 1 7 PRO QD . . 3.100 2.182 1.708 2.654 . 0 0 "[ . 1 . 2]" 1
404 1 57 TYR HA 1 57 TYR QB . . 3.400 2.434 2.390 2.516 . 0 0 "[ . 1 . 2]" 1
405 1 40 GLU HA 1 40 GLU QB . . 3.800 2.404 2.365 2.488 . 0 0 "[ . 1 . 2]" 1
406 1 66 ALA MB 1 69 ILE MG . . 3.600 2.165 1.773 2.830 0.027 2 0 "[ . 1 . 2]" 1
407 1 42 ILE HA 1 42 ILE QG . . 3.500 2.345 2.262 2.443 . 0 0 "[ . 1 . 2]" 1
408 1 55 LEU HA 1 55 LEU QD . . 3.400 2.238 2.013 3.318 . 0 0 "[ . 1 . 2]" 1
409 1 37 ILE MG 1 74 THR HA . . 3.100 2.026 1.692 2.341 0.108 17 0 "[ . 1 . 2]" 1
410 1 39 LYS HA 1 39 LYS QD . . 3.300 2.238 1.665 3.298 0.035 4 0 "[ . 1 . 2]" 1
411 1 12 GLU HA 1 12 GLU QG . . 4.100 2.589 2.325 2.942 . 0 0 "[ . 1 . 2]" 1
412 1 99 GLU HA 1 101 LYS QE . . 3.300 2.580 1.678 3.308 0.122 12 0 "[ . 1 . 2]" 1
413 1 81 MET HA 1 81 MET QG . . 3.100 2.330 2.093 2.814 . 0 0 "[ . 1 . 2]" 1
414 1 103 GLU QB 1 104 LYS HA . . 6.000 4.514 3.752 5.309 . 0 0 "[ . 1 . 2]" 1
415 1 54 ARG HA 1 54 ARG QD . . 3.500 2.034 1.739 2.707 0.161 6 0 "[ . 1 . 2]" 1
416 1 75 ARG HA 1 75 ARG QB . . 3.400 2.474 2.338 2.532 . 0 0 "[ . 1 . 2]" 1
417 1 52 GLU HA 1 55 LEU QB . . 3.600 2.073 1.776 2.504 0.024 13 0 "[ . 1 . 2]" 1
418 1 46 LEU HA 1 48 THR MG . . 6.000 5.922 5.712 6.090 0.090 16 0 "[ . 1 . 2]" 1
419 1 86 ILE HA 1 86 ILE QG . . 3.100 2.292 2.245 2.357 . 0 0 "[ . 1 . 2]" 1
420 1 63 LYS HA 1 63 LYS QG . . 4.000 2.514 2.388 3.053 . 0 0 "[ . 1 . 2]" 1
421 1 34 LEU MD1 1 75 ARG HA . . 3.300 2.215 1.652 3.326 0.148 11 0 "[ . 1 . 2]" 1
422 1 22 TYR HA 1 22 TYR QD . . 3.800 2.703 1.819 3.178 0.081 12 0 "[ . 1 . 2]" 1
423 1 55 LEU HA 1 55 LEU QB . . 3.400 2.332 2.128 2.509 . 0 0 "[ . 1 . 2]" 1
424 1 76 PRO QB 1 81 MET ME . . 4.500 2.008 1.708 2.522 0.192 15 0 "[ . 1 . 2]" 1
425 1 84 MET HA 1 85 LYS QB . . 6.000 5.332 5.064 5.576 . 0 0 "[ . 1 . 2]" 1
426 1 13 VAL HA 1 16 GLU QG . . 3.800 3.017 2.427 3.479 . 0 0 "[ . 1 . 2]" 1
427 1 32 PHE QE 1 79 VAL QG . . 4.300 3.617 2.141 4.243 . 0 0 "[ . 1 . 2]" 1
428 1 16 GLU QG 1 102 TYR QE . . 4.100 2.208 1.798 3.180 0.102 7 0 "[ . 1 . 2]" 1
429 1 76 PRO QB 1 86 ILE MD . . 3.300 2.152 1.719 2.636 . 0 0 "[ . 1 . 2]" 1
430 1 13 VAL HA 1 102 TYR QE . . 3.500 2.653 1.833 3.502 0.002 12 0 "[ . 1 . 2]" 1
431 1 37 ILE MD 1 37 ILE MG . . 3.300 1.991 1.951 2.054 . 0 0 "[ . 1 . 2]" 1
432 1 34 LEU HA 1 34 LEU MD2 . . 3.600 2.474 1.900 3.735 0.135 3 0 "[ . 1 . 2]" 1
433 1 18 LEU QB 1 18 LEU MD1 . . 3.400 2.084 2.066 2.092 . 0 0 "[ . 1 . 2]" 1
434 1 38 GLU HA 1 38 GLU QG . . 3.400 2.431 2.190 2.514 . 0 0 "[ . 1 . 2]" 1
435 1 52 GLU QG 1 102 TYR QE . . 3.600 2.384 1.779 2.995 0.121 19 0 "[ . 1 . 2]" 1
436 1 52 GLU QB 1 52 GLU QG . . 3.800 2.069 2.005 2.087 . 0 0 "[ . 1 . 2]" 1
437 1 25 LEU HA 1 28 ARG QB . . 4.500 2.976 2.590 4.096 . 0 0 "[ . 1 . 2]" 1
438 1 83 ALA HA 1 86 ILE MD . . 2.900 1.791 1.659 2.093 0.041 5 0 "[ . 1 . 2]" 1
439 1 18 LEU HA 1 21 PHE H . . 3.800 3.823 3.668 3.927 0.127 12 0 "[ . 1 . 2]" 1
440 1 79 VAL HA 1 79 VAL QG . . 3.900 2.295 2.218 2.398 . 0 0 "[ . 1 . 2]" 1
441 1 24 SER H 1 24 SER QB . . 3.300 2.341 2.219 2.449 . 0 0 "[ . 1 . 2]" 1
442 1 37 ILE MG 1 74 THR HB . . 4.100 3.126 2.867 3.530 . 0 0 "[ . 1 . 2]" 1
443 1 48 THR HB 1 52 GLU QB . . 2.600 1.632 1.521 2.038 0.479 11 0 "[ . 1 . 2]" 1
444 1 101 LYS HA 1 101 LYS QB . . 3.800 2.365 2.331 2.440 . 0 0 "[ . 1 . 2]" 1
445 1 10 ASP HA 1 10 ASP QB . . 3.800 2.359 2.175 2.458 . 0 0 "[ . 1 . 2]" 1
446 1 46 LEU HA 1 47 ASP H . . 3.800 3.460 3.352 3.560 . 0 0 "[ . 1 . 2]" 1
447 1 68 LYS HA 1 68 LYS QG . . 3.600 2.583 2.327 3.326 . 0 0 "[ . 1 . 2]" 1
448 1 39 LYS HA 1 39 LYS QG . . 3.900 2.937 2.424 3.231 . 0 0 "[ . 1 . 2]" 1
449 1 69 ILE HB 1 69 ILE QG . . 3.900 2.378 2.360 2.417 . 0 0 "[ . 1 . 2]" 1
450 1 23 LYS HA 1 23 LYS QG . . 4.300 3.307 2.687 3.506 . 0 0 "[ . 1 . 2]" 1
451 1 97 ILE HB 1 97 ILE MD . . 3.600 2.434 2.380 2.554 . 0 0 "[ . 1 . 2]" 1
452 1 34 LEU QB 1 34 LEU MD1 . . 4.500 2.278 2.088 2.405 . 0 0 "[ . 1 . 2]" 1
453 1 20 ARG QB 1 20 ARG QD . . 3.800 2.401 2.263 2.602 . 0 0 "[ . 1 . 2]" 1
454 1 48 THR MG 1 53 ASN QD . . 4.500 3.814 3.607 4.110 . 0 0 "[ . 1 . 2]" 1
455 1 39 LYS HA 1 42 ILE MD . . 3.600 2.596 1.795 3.633 0.105 1 0 "[ . 1 . 2]" 1
456 1 52 GLU HA 1 52 GLU QG . . 3.800 2.548 2.341 2.842 . 0 0 "[ . 1 . 2]" 1
457 1 16 GLU QB 1 102 TYR QE . . 4.700 3.332 2.745 3.974 . 0 0 "[ . 1 . 2]" 1
458 1 54 ARG QD 1 54 ARG QG . . 3.500 2.070 1.989 2.091 . 0 0 "[ . 1 . 2]" 1
459 1 34 LEU HA 1 74 THR HB . . 3.500 3.108 2.621 3.571 0.071 3 0 "[ . 1 . 2]" 1
460 1 22 TYR HA 1 25 LEU QD . . 3.900 3.619 2.891 3.860 . 0 0 "[ . 1 . 2]" 1
461 1 86 ILE MG 1 87 CYS HA . . 3.800 3.406 3.090 3.687 . 0 0 "[ . 1 . 2]" 1
462 1 45 CYS HA 1 45 CYS QB . . 3.900 2.337 2.150 2.466 . 0 0 "[ . 1 . 2]" 1
463 1 83 ALA HA 1 86 ILE HB . . 2.700 2.009 1.640 2.451 0.060 6 0 "[ . 1 . 2]" 1
464 1 17 PHE QB 1 52 GLU QB . . 6.000 3.572 3.016 4.231 . 0 0 "[ . 1 . 2]" 1
465 1 53 ASN HA 1 53 ASN QB . . 3.800 2.330 2.279 2.366 . 0 0 "[ . 1 . 2]" 1
466 1 83 ALA HA 1 84 MET ME . . 4.500 4.617 4.344 4.836 0.336 10 0 "[ . 1 . 2]" 1
467 1 46 LEU QB 1 46 LEU QD . . 4.100 1.989 1.921 2.066 . 0 0 "[ . 1 . 2]" 1
468 1 31 ASN QD 1 77 MET QB . . 5.400 2.983 2.404 3.883 . 0 0 "[ . 1 . 2]" 1
469 1 43 SER HA 1 46 LEU HG . . 6.000 5.195 4.048 6.042 0.042 3 0 "[ . 1 . 2]" 1
470 1 44 PHE QB 1 44 PHE QD . . 3.500 2.125 2.119 2.128 . 0 0 "[ . 1 . 2]" 1
471 1 17 PHE HA 1 17 PHE QD . . 3.900 2.908 2.642 3.104 . 0 0 "[ . 1 . 2]" 1
472 1 69 ILE HA 1 69 ILE MG . . 4.100 3.019 2.379 3.215 . 0 0 "[ . 1 . 2]" 1
473 1 57 TYR QB 1 57 TYR QD . . 3.700 2.134 2.127 2.142 . 0 0 "[ . 1 . 2]" 1
474 1 63 LYS HA 1 63 LYS QD . . 5.200 3.847 1.975 4.276 0.025 1 0 "[ . 1 . 2]" 1
475 1 42 ILE QG 1 63 LYS QG . . 6.000 3.449 2.352 4.667 . 0 0 "[ . 1 . 2]" 1
476 1 12 GLU HA 1 15 LYS QG . . 3.600 2.804 1.816 3.639 0.039 3 0 "[ . 1 . 2]" 1
477 1 90 LEU HA 1 93 LEU MD1 . . 3.800 2.252 1.740 2.960 0.160 16 0 "[ . 1 . 2]" 1
478 1 17 PHE QB 1 17 PHE QD . . 3.800 2.127 2.124 2.130 . 0 0 "[ . 1 . 2]" 1
479 1 34 LEU MD2 1 78 SER QB . . 3.600 2.672 1.847 4.045 0.445 3 0 "[ . 1 . 2]" 1
480 1 100 LEU HA 1 100 LEU MD2 . . 4.300 2.972 1.797 3.869 0.103 19 0 "[ . 1 . 2]" 1
481 1 57 TYR HA 1 65 ALA MB . . 3.900 2.660 2.039 3.365 . 0 0 "[ . 1 . 2]" 1
482 1 25 LEU QD 1 40 GLU QG . . 3.400 2.540 2.030 3.303 . 0 0 "[ . 1 . 2]" 1
483 1 49 LYS HA 1 53 ASN QB . . 6.000 5.124 4.946 5.252 . 0 0 "[ . 1 . 2]" 1
484 1 37 ILE MD 1 78 SER HA . . 3.800 2.380 1.782 3.714 0.018 16 0 "[ . 1 . 2]" 1
485 1 38 GLU HA 1 70 LEU QD . . 4.100 2.537 1.955 3.916 0.045 17 0 "[ . 1 . 2]" 1
486 1 13 VAL QG 1 100 LEU QB . . 3.800 2.099 1.676 2.790 0.324 19 0 "[ . 1 . 2]" 1
487 1 103 GLU HA 1 103 GLU QB . . 4.100 2.366 2.172 2.487 . 0 0 "[ . 1 . 2]" 1
488 1 25 LEU QB 1 25 LEU QD . . 3.700 1.975 1.957 2.061 0.043 19 0 "[ . 1 . 2]" 1
489 1 58 TYR QD 1 97 ILE HA . . 3.900 3.437 2.815 3.955 0.055 4 0 "[ . 1 . 2]" 1
490 1 37 ILE HA 1 37 ILE MG . . 3.600 2.350 2.265 2.406 . 0 0 "[ . 1 . 2]" 1
491 1 26 ILE HA 1 26 ILE QG . . 4.700 3.008 2.947 3.099 . 0 0 "[ . 1 . 2]" 1
492 1 32 PHE QB 1 32 PHE QD . . 3.800 2.128 2.123 2.156 . 0 0 "[ . 1 . 2]" 1
493 1 38 GLU QG 1 70 LEU QB . . 4.600 3.910 1.931 4.292 0.069 13 0 "[ . 1 . 2]" 1
494 1 21 PHE QE 1 37 ILE MG . . 3.500 2.488 2.127 3.533 0.033 9 0 "[ . 1 . 2]" 1
495 1 37 ILE HB 1 74 THR MG . . 3.600 2.369 1.791 2.784 0.009 17 0 "[ . 1 . 2]" 1
496 1 96 GLN HA 1 96 GLN QG . . 3.800 2.533 2.364 2.965 . 0 0 "[ . 1 . 2]" 1
497 1 32 PHE QB 1 78 SER HA . . 6.000 5.050 4.054 5.647 . 0 0 "[ . 1 . 2]" 1
498 1 69 ILE HA 1 69 ILE MD . . 4.600 3.784 2.060 4.179 . 0 0 "[ . 1 . 2]" 1
499 1 44 PHE HA 1 44 PHE QD . . 4.100 2.894 2.711 3.094 . 0 0 "[ . 1 . 2]" 1
500 1 21 PHE QB 1 21 PHE QD . . 3.800 2.124 2.120 2.135 . 0 0 "[ . 1 . 2]" 1
501 1 75 ARG QB 1 75 ARG QD . . 3.400 2.350 2.096 2.488 . 0 0 "[ . 1 . 2]" 1
502 1 3 ALA HA 1 3 ALA MB . . 4.000 2.130 2.122 2.138 . 0 0 "[ . 1 . 2]" 1
503 1 71 SER HA 1 75 ARG QD . . 3.800 3.272 2.412 3.820 0.020 12 0 "[ . 1 . 2]" 1
504 1 97 ILE HA 1 97 ILE MG . . 4.100 2.619 2.332 3.221 . 0 0 "[ . 1 . 2]" 1
505 1 18 LEU QB 1 77 MET ME . . 4.500 2.626 2.317 3.077 . 0 0 "[ . 1 . 2]" 1
506 1 96 GLN QB 1 96 GLN QG . . 3.800 2.054 1.983 2.086 0.017 5 0 "[ . 1 . 2]" 1
507 1 94 ASP QB 1 97 ILE MD . . 4.000 2.534 1.999 3.667 . 0 0 "[ . 1 . 2]" 1
508 1 13 VAL QG 1 101 LYS HA . . 3.600 2.371 1.944 3.321 . 0 0 "[ . 1 . 2]" 1
509 1 22 TYR HA 1 25 LEU QB . . 3.700 3.375 2.840 3.660 . 0 0 "[ . 1 . 2]" 1
510 1 18 LEU HA 1 18 LEU QB . . 3.600 2.382 2.349 2.404 . 0 0 "[ . 1 . 2]" 1
511 1 12 GLU HA 1 12 GLU QB . . 4.100 2.370 2.298 2.466 . 0 0 "[ . 1 . 2]" 1
512 1 79 VAL QG 1 81 MET QB . . 4.100 3.066 1.930 3.669 . 0 0 "[ . 1 . 2]" 1
513 1 99 GLU HA 1 101 LYS QG . . 4.800 3.090 2.380 3.840 . 0 0 "[ . 1 . 2]" 1
514 1 103 GLU HA 1 103 GLU QG . . 4.500 2.756 2.359 3.358 . 0 0 "[ . 1 . 2]" 1
515 1 57 TYR HA 1 57 TYR QD . . 4.300 2.950 2.329 3.124 . 0 0 "[ . 1 . 2]" 1
516 1 81 MET QB 1 81 MET QG . . 4.500 2.038 1.967 2.082 . 0 0 "[ . 1 . 2]" 1
517 1 41 LEU HA 1 41 LEU QB . . 3.800 2.467 2.381 2.516 . 0 0 "[ . 1 . 2]" 1
518 1 45 CYS HA 1 48 THR HB . . 6.000 4.884 4.063 5.918 . 0 0 "[ . 1 . 2]" 1
519 1 36 THR MG 1 40 GLU QG . . 3.600 2.413 1.990 3.464 0.010 9 0 "[ . 1 . 2]" 1
520 1 35 ASP HA 1 38 GLU QB . . 4.000 2.696 2.293 3.392 . 0 0 "[ . 1 . 2]" 1
521 1 102 TYR HA 1 102 TYR QD . . 4.000 2.625 1.750 2.982 0.050 12 0 "[ . 1 . 2]" 1
522 1 57 TYR QB 1 57 TYR QE . . 4.400 3.932 3.925 3.942 . 0 0 "[ . 1 . 2]" 1
523 1 81 MET QB 1 86 ILE MD . . 3.500 2.577 2.096 3.278 . 0 0 "[ . 1 . 2]" 1
524 1 20 ARG HA 1 20 ARG QG . . 4.100 2.377 2.118 2.555 . 0 0 "[ . 1 . 2]" 1
525 1 21 PHE HA 1 21 PHE QB . . 4.000 2.363 2.337 2.394 . 0 0 "[ . 1 . 2]" 1
526 1 41 LEU QB 1 61 ALA MB . . 4.900 2.072 1.621 3.440 0.279 15 0 "[ . 1 . 2]" 1
527 1 15 LYS HA 1 15 LYS QD . . 5.000 4.372 4.003 4.567 . 0 0 "[ . 1 . 2]" 1
528 1 46 LEU H 1 56 CYS QB . . 6.000 5.358 4.904 5.617 . 0 0 "[ . 1 . 2]" 1
529 1 49 LYS HA 1 49 LYS QB . . 4.300 2.313 2.160 2.374 . 0 0 "[ . 1 . 2]" 1
530 1 12 GLU QB 1 101 LYS HA . . 3.900 3.414 1.998 3.931 0.031 9 0 "[ . 1 . 2]" 1
531 1 37 ILE HA 1 40 GLU QB . . 3.400 2.588 2.122 3.301 . 0 0 "[ . 1 . 2]" 1
532 1 22 TYR QB 1 23 LYS QG . . 4.000 3.593 3.027 3.872 . 0 0 "[ . 1 . 2]" 1
533 1 104 LYS QG 1 105 THR HB . . 6.000 5.008 3.169 5.853 . 0 0 "[ . 1 . 2]" 1
534 1 22 TYR HA 1 22 TYR QB . . 3.800 2.376 2.289 2.538 . 0 0 "[ . 1 . 2]" 1
535 1 40 GLU HA 1 40 GLU QG . . 3.900 2.811 2.217 2.982 . 0 0 "[ . 1 . 2]" 1
536 1 17 PHE QB 1 55 LEU QD . . 4.000 2.135 1.817 2.597 0.083 7 0 "[ . 1 . 2]" 1
537 1 22 TYR HA 1 83 ALA MB . . 6.000 5.389 4.954 6.039 0.039 14 0 "[ . 1 . 2]" 1
538 1 71 SER HA 1 74 THR HB . . 5.400 4.193 3.930 4.517 . 0 0 "[ . 1 . 2]" 1
539 1 55 LEU HA 1 100 LEU MD1 . . 4.100 3.382 1.928 4.161 0.061 17 0 "[ . 1 . 2]" 1
540 1 100 LEU HA 1 100 LEU QB . . 3.900 2.450 2.381 2.542 . 0 0 "[ . 1 . 2]" 1
541 1 74 THR MG 1 77 MET QB . . 4.500 3.942 3.516 4.335 . 0 0 "[ . 1 . 2]" 1
542 1 18 LEU QB 1 83 ALA MB . . 3.800 2.826 2.524 3.084 . 0 0 "[ . 1 . 2]" 1
543 1 87 CYS HA 1 87 CYS QB . . 4.300 2.362 2.319 2.406 . 0 0 "[ . 1 . 2]" 1
544 1 41 LEU HA 1 44 PHE QB . . 3.900 3.013 2.760 3.284 . 0 0 "[ . 1 . 2]" 1
545 1 44 PHE HA 1 47 ASP H . . 4.100 3.205 2.850 3.655 . 0 0 "[ . 1 . 2]" 1
546 1 19 ASN HA 1 22 TYR QB . . 4.000 2.454 1.985 2.753 . 0 0 "[ . 1 . 2]" 1
547 1 61 ALA HA 1 70 LEU QD . . 4.300 2.397 1.728 3.461 0.272 19 0 "[ . 1 . 2]" 1
548 1 58 TYR QB 1 58 TYR QD . . 4.100 2.141 2.107 2.180 . 0 0 "[ . 1 . 2]" 1
549 1 38 GLU QG 1 41 LEU QB . . 6.000 4.038 3.487 4.726 . 0 0 "[ . 1 . 2]" 1
550 1 21 PHE QE 1 41 LEU HA . . 3.800 2.722 2.019 3.248 . 0 0 "[ . 1 . 2]" 1
551 1 21 PHE HA 1 24 SER QB . . 4.100 2.602 2.379 2.867 . 0 0 "[ . 1 . 2]" 1
552 1 37 ILE HB 1 37 ILE MD . . 4.100 2.680 2.359 3.237 . 0 0 "[ . 1 . 2]" 1
553 1 31 ASN QD 1 77 MET QG . . 5.800 4.370 2.558 5.090 . 0 0 "[ . 1 . 2]" 1
554 1 56 CYS HA 1 58 TYR HA . . 6.000 6.042 5.854 6.221 0.221 18 0 "[ . 1 . 2]" 1
555 1 53 ASN HA 1 56 CYS QB . . 3.900 3.467 2.812 3.913 0.013 18 0 "[ . 1 . 2]" 1
556 1 22 TYR QB 1 22 TYR QD . . 3.900 2.155 2.117 2.310 . 0 0 "[ . 1 . 2]" 1
557 1 88 GLU QB 1 88 GLU QG . . 4.500 2.046 1.987 2.087 . 0 0 "[ . 1 . 2]" 1
558 1 46 LEU H 1 46 LEU HG . . 5.600 4.050 2.347 4.657 . 0 0 "[ . 1 . 2]" 1
559 1 45 CYS QB 1 61 ALA MB . . 4.100 2.955 2.203 3.870 . 0 0 "[ . 1 . 2]" 1
560 1 56 CYS HA 1 61 ALA MB . . 4.500 3.481 2.672 4.276 . 0 0 "[ . 1 . 2]" 1
561 1 26 ILE HB 1 26 ILE MD . . 5.400 3.237 3.231 3.244 . 0 0 "[ . 1 . 2]" 1
562 1 58 TYR QE 1 100 LEU MD2 . . 4.200 2.727 1.785 3.824 0.015 1 0 "[ . 1 . 2]" 1
563 1 13 VAL QG 1 52 GLU HA . . 4.100 3.069 2.476 3.386 . 0 0 "[ . 1 . 2]" 1
564 1 34 LEU HA 1 35 ASP HA . . 6.000 4.767 4.681 4.822 . 0 0 "[ . 1 . 2]" 1
565 1 30 VAL QG 1 40 GLU QG . . 4.800 1.946 1.662 3.409 0.338 2 0 "[ . 1 . 2]" 1
566 1 83 ALA MB 1 84 MET HA . . 4.500 3.952 3.836 4.137 . 0 0 "[ . 1 . 2]" 1
567 1 37 ILE MG 1 77 MET QG . . 5.000 2.976 2.477 3.235 . 0 0 "[ . 1 . 2]" 1
568 1 25 LEU QD 1 40 GLU QB . . 4.300 2.081 1.717 2.529 0.183 20 0 "[ . 1 . 2]" 1
569 1 89 LYS HA 1 89 LYS QE . . 5.200 4.715 3.577 5.021 . 0 0 "[ . 1 . 2]" 1
570 1 36 THR HA 1 39 LYS QB . . 4.300 2.710 2.370 3.348 . 0 0 "[ . 1 . 2]" 1
571 1 88 GLU QB 1 89 LYS HA . . 4.800 4.054 3.800 4.348 . 0 0 "[ . 1 . 2]" 1
572 1 33 SER H 1 33 SER QB . . 4.300 2.672 2.479 2.936 . 0 0 "[ . 1 . 2]" 1
573 1 16 GLU HA 1 16 GLU QG . . 4.300 2.829 2.429 3.033 . 0 0 "[ . 1 . 2]" 1
574 1 17 PHE QD 1 18 LEU MD2 . . 4.300 2.436 2.039 2.762 . 0 0 "[ . 1 . 2]" 1
575 1 81 MET HA 1 81 MET QB . . 4.100 2.483 2.385 2.539 . 0 0 "[ . 1 . 2]" 1
576 1 71 SER QB 1 75 ARG QD . . 4.100 2.876 2.078 3.634 . 0 0 "[ . 1 . 2]" 1
577 1 38 GLU QB 1 74 THR MG . . 3.900 2.450 2.109 3.284 . 0 0 "[ . 1 . 2]" 1
578 1 56 CYS QB 1 62 THR MG . . 4.300 3.439 2.054 4.032 . 0 0 "[ . 1 . 2]" 1
579 1 37 ILE HA 1 37 ILE QG . . 4.300 2.682 2.420 3.135 . 0 0 "[ . 1 . 2]" 1
580 1 2 GLU QG 1 6 ARG HE . . 6.000 4.138 2.608 5.888 . 0 0 "[ . 1 . 2]" 1
581 1 41 LEU HA 1 44 PHE H . . 4.300 3.699 3.456 3.978 . 0 0 "[ . 1 . 2]" 1
582 1 55 LEU HA 1 58 TYR QD . . 3.800 2.099 1.765 3.805 0.035 15 0 "[ . 1 . 2]" 1
583 1 76 PRO QB 1 76 PRO QD . . 5.300 2.758 2.663 2.810 . 0 0 "[ . 1 . 2]" 1
584 1 34 LEU H 1 34 LEU HG . . 5.000 3.596 2.129 4.556 . 0 0 "[ . 1 . 2]" 1
585 1 48 THR MG 1 52 GLU QB . . 4.500 2.436 2.237 2.755 . 0 0 "[ . 1 . 2]" 1
586 1 76 PRO QG 1 86 ILE MD . . 4.600 2.546 2.099 3.218 . 0 0 "[ . 1 . 2]" 1
587 1 54 ARG HA 1 57 TYR QB . . 4.500 3.576 2.592 4.149 . 0 0 "[ . 1 . 2]" 1
588 1 16 GLU H 1 16 GLU QB . . 5.000 2.403 2.156 2.558 . 0 0 "[ . 1 . 2]" 1
589 1 92 LYS HA 1 92 LYS QD . . 4.300 3.290 1.845 4.116 0.055 4 0 "[ . 1 . 2]" 1
590 1 2 GLU HA 1 6 ARG HE . . 6.000 5.287 3.531 6.124 0.124 4 0 "[ . 1 . 2]" 1
591 1 73 VAL HA 1 76 PRO QD . . 5.400 3.001 2.662 3.334 . 0 0 "[ . 1 . 2]" 1
592 1 6 ARG QB 1 7 PRO QD . . 4.800 3.413 1.916 3.871 0.084 18 0 "[ . 1 . 2]" 1
593 1 13 VAL QG 1 52 GLU QG . . 4.900 2.736 1.822 3.405 0.078 12 0 "[ . 1 . 2]" 1
594 1 31 ASN QB 1 36 THR MG . . 6.000 5.356 4.622 5.572 . 0 0 "[ . 1 . 2]" 1
595 1 52 GLU HA 1 52 GLU QB . . 4.300 2.328 2.285 2.380 . 0 0 "[ . 1 . 2]" 1
596 1 37 ILE HB 1 74 THR HB . . 3.800 2.571 2.111 2.925 . 0 0 "[ . 1 . 2]" 1
597 1 55 LEU HG 1 59 LEU HG . . 4.000 2.682 1.972 4.238 0.238 16 0 "[ . 1 . 2]" 1
598 1 34 LEU MD1 1 78 SER QB . . 4.300 3.189 2.314 4.064 . 0 0 "[ . 1 . 2]" 1
599 1 39 LYS HA 1 42 ILE HB . . 3.900 2.821 2.403 3.235 . 0 0 "[ . 1 . 2]" 1
600 1 9 ALA MB 1 84 MET HA . . 4.400 2.725 2.145 3.169 . 0 0 "[ . 1 . 2]" 1
601 1 25 LEU HA 1 30 VAL HB . . 6.000 4.673 2.140 5.795 . 0 0 "[ . 1 . 2]" 1
602 1 73 VAL MG1 1 77 MET QG . . 4.500 2.324 1.826 3.992 0.074 7 0 "[ . 1 . 2]" 1
603 1 13 VAL HA 1 16 GLU QB . . 5.600 2.891 2.521 3.369 . 0 0 "[ . 1 . 2]" 1
604 1 26 ILE MD 1 31 ASN QD . . 6.000 3.842 3.211 4.429 . 0 0 "[ . 1 . 2]" 1
605 1 38 GLU QG 1 74 THR MG . . 4.500 3.112 1.774 3.646 0.126 6 0 "[ . 1 . 2]" 1
606 1 20 ARG QG 1 44 PHE HZ . . 6.000 3.476 1.603 5.369 . 0 0 "[ . 1 . 2]" 1
607 1 19 ASN QB 1 19 ASN QD . . 5.200 2.306 2.098 2.717 . 0 0 "[ . 1 . 2]" 1
608 1 91 LYS QG 1 95 SER HA . . 4.900 3.275 2.086 4.532 . 0 0 "[ . 1 . 2]" 1
609 1 54 ARG QG 1 58 TYR QE . . 6.000 2.665 1.952 4.938 . 0 0 "[ . 1 . 2]" 1
610 1 21 PHE QE 1 40 GLU QB . . 5.100 2.406 1.897 3.276 0.003 15 0 "[ . 1 . 2]" 1
611 1 84 MET HA 1 87 CYS QB . . 4.800 4.014 3.641 4.517 . 0 0 "[ . 1 . 2]" 1
612 1 81 MET QB 1 81 MET ME . . 4.100 2.490 1.875 3.694 0.025 12 0 "[ . 1 . 2]" 1
613 1 32 PHE HA 1 37 ILE MD . . 4.300 3.581 2.766 4.347 0.047 7 0 "[ . 1 . 2]" 1
614 1 17 PHE QD 1 55 LEU QD . . 4.500 3.093 2.542 3.648 . 0 0 "[ . 1 . 2]" 1
615 1 88 GLU HA 1 88 GLU QG . . 4.300 2.618 2.360 3.135 . 0 0 "[ . 1 . 2]" 1
616 1 25 LEU QD 1 37 ILE MG . . 4.300 2.405 1.960 3.584 . 0 0 "[ . 1 . 2]" 1
617 1 17 PHE QD 1 52 GLU QB . . 3.900 2.622 1.872 3.363 0.028 2 0 "[ . 1 . 2]" 1
618 1 6 ARG HE 1 20 ARG QD . . 6.000 4.623 4.107 5.350 . 0 0 "[ . 1 . 2]" 1
619 1 58 TYR QD 1 97 ILE QG . . 4.700 3.059 2.128 3.749 . 0 0 "[ . 1 . 2]" 1
620 1 38 GLU HA 1 41 LEU QD . . 4.600 2.855 2.119 3.691 . 0 0 "[ . 1 . 2]" 1
621 1 58 TYR QD 1 100 LEU MD1 . . 3.800 3.391 2.287 4.552 0.752 19 1 "[ . 1 . +2]" 1
622 1 37 ILE QG 1 37 ILE MG . . 4.700 2.275 2.237 2.304 . 0 0 "[ . 1 . 2]" 1
623 1 18 LEU MD2 1 21 PHE QD . . 5.400 3.997 3.620 4.418 . 0 0 "[ . 1 . 2]" 1
624 1 12 GLU QG 1 102 TYR QD . . 5.200 3.195 2.167 4.852 . 0 0 "[ . 1 . 2]" 1
625 1 22 TYR QE 1 80 HIS HA . . 4.200 2.694 1.781 3.505 0.219 11 0 "[ . 1 . 2]" 1
626 1 69 ILE HA 1 69 ILE QG . . 4.800 2.627 2.313 3.324 . 0 0 "[ . 1 . 2]" 1
627 1 76 PRO HA 1 78 SER QB . . 4.500 4.408 4.194 4.567 0.067 20 0 "[ . 1 . 2]" 1
628 1 82 PRO QB 1 86 ILE QG . . 4.600 2.292 1.698 3.303 0.302 17 0 "[ . 1 . 2]" 1
629 1 68 LYS HA 1 71 SER QB . . 5.800 3.958 2.866 5.054 . 0 0 "[ . 1 . 2]" 1
630 1 17 PHE HA 1 55 LEU QD . . 5.600 4.299 3.906 4.833 . 0 0 "[ . 1 . 2]" 1
631 1 57 TYR QD 1 65 ALA HA . . 4.900 4.331 3.510 4.970 0.070 13 0 "[ . 1 . 2]" 1
632 1 59 LEU QB 1 59 LEU HG . . 4.500 2.377 2.321 2.462 . 0 0 "[ . 1 . 2]" 1
633 1 56 CYS HA 1 59 LEU QB . . 4.000 2.149 1.570 2.804 0.430 16 0 "[ . 1 . 2]" 1
634 1 87 CYS HA 1 88 GLU QB . . 5.400 5.215 5.028 5.332 . 0 0 "[ . 1 . 2]" 1
635 1 77 MET QG 1 86 ILE MD . . 6.000 4.465 2.832 5.397 . 0 0 "[ . 1 . 2]" 1
636 1 22 TYR QE 1 83 ALA MB . . 4.600 3.217 1.901 3.716 0.099 11 0 "[ . 1 . 2]" 1
637 1 21 PHE HZ 1 41 LEU QB . . 5.600 3.728 2.517 4.222 . 0 0 "[ . 1 . 2]" 1
638 1 7 PRO QD 1 8 GLY QA . . 5.800 3.998 3.498 4.507 . 0 0 "[ . 1 . 2]" 1
639 1 47 ASP H 1 47 ASP QB . . 5.600 2.293 2.228 2.383 . 0 0 "[ . 1 . 2]" 1
640 1 71 SER HA 1 74 THR MG . . 4.900 3.347 2.905 3.709 . 0 0 "[ . 1 . 2]" 1
641 1 73 VAL HA 1 76 PRO QG . . 4.000 2.877 2.377 3.510 . 0 0 "[ . 1 . 2]" 1
642 1 83 ALA HA 1 86 ILE QG . . 6.000 2.092 1.937 2.335 0.063 16 0 "[ . 1 . 2]" 1
643 1 38 GLU H 1 38 GLU QG . . 6.000 3.883 2.445 4.003 . 0 0 "[ . 1 . 2]" 1
644 1 84 MET ME 1 85 LYS QB . . 5.600 3.294 1.917 4.885 0.083 10 0 "[ . 1 . 2]" 1
645 1 57 TYR QD 1 65 ALA MB . . 4.500 2.757 1.867 3.796 0.033 9 0 "[ . 1 . 2]" 1
646 1 23 LYS HA 1 26 ILE QG . . 4.600 2.830 2.296 3.229 . 0 0 "[ . 1 . 2]" 1
647 1 74 THR HA 1 77 MET QB . . 3.800 2.417 1.890 2.847 0.010 7 0 "[ . 1 . 2]" 1
648 1 90 LEU QD 1 93 LEU QB . . 4.000 3.134 2.519 3.766 . 0 0 "[ . 1 . 2]" 1
649 1 21 PHE HZ 1 40 GLU QB . . 4.000 2.814 2.027 3.687 . 0 0 "[ . 1 . 2]" 1
650 1 22 TYR QE 1 26 ILE MD . . 4.800 4.185 2.792 4.907 0.107 17 0 "[ . 1 . 2]" 1
651 1 20 ARG QB 1 44 PHE HZ . . 4.100 2.282 1.528 3.663 0.472 19 0 "[ . 1 . 2]" 1
652 1 45 CYS QB 1 56 CYS QB . . 4.800 2.238 1.691 3.539 0.309 11 0 "[ . 1 . 2]" 1
653 1 25 LEU QD 1 37 ILE MD . . 5.300 2.973 1.884 3.692 0.016 17 0 "[ . 1 . 2]" 1
654 1 55 LEU HA 1 55 LEU HG . . 4.300 3.073 2.563 3.338 . 0 0 "[ . 1 . 2]" 1
655 1 76 PRO QB 1 81 MET QB . . 4.100 2.775 2.091 3.462 . 0 0 "[ . 1 . 2]" 1
656 1 32 PHE HA 1 32 PHE QD . . 4.700 2.714 2.129 2.990 . 0 0 "[ . 1 . 2]" 1
657 1 48 THR HB 1 53 ASN QB . . 6.000 5.246 4.964 5.365 . 0 0 "[ . 1 . 2]" 1
658 1 59 LEU HA 1 59 LEU HG . . 4.500 3.000 2.557 3.275 . 0 0 "[ . 1 . 2]" 1
659 1 85 LYS HA 1 88 GLU QG . . 6.000 3.149 2.053 4.535 . 0 0 "[ . 1 . 2]" 1
660 1 56 CYS QB 1 61 ALA MB . . 4.300 2.597 1.739 3.919 0.161 9 0 "[ . 1 . 2]" 1
661 1 32 PHE HA 1 32 PHE QB . . 4.500 2.413 2.371 2.499 . 0 0 "[ . 1 . 2]" 1
662 1 55 LEU HA 1 58 TYR QB . . 6.000 3.423 2.326 5.166 . 0 0 "[ . 1 . 2]" 1
663 1 42 ILE HA 1 45 CYS QB . . 4.500 2.744 2.171 3.977 . 0 0 "[ . 1 . 2]" 1
664 1 21 PHE QE 1 44 PHE QB . . 4.500 2.710 2.261 3.348 . 0 0 "[ . 1 . 2]" 1
665 1 59 LEU HA 1 69 ILE MD . . 4.600 3.050 2.351 4.645 0.045 18 0 "[ . 1 . 2]" 1
666 1 21 PHE HA 1 44 PHE QE . . 4.800 3.461 3.038 3.882 . 0 0 "[ . 1 . 2]" 1
667 1 82 PRO QB 1 84 MET ME . . 5.700 3.373 2.259 4.191 . 0 0 "[ . 1 . 2]" 1
668 1 16 GLU HA 1 20 ARG H . . 4.500 3.899 3.631 4.213 . 0 0 "[ . 1 . 2]" 1
669 1 59 LEU HA 1 69 ILE QG . . 5.000 4.054 2.860 4.809 . 0 0 "[ . 1 . 2]" 1
670 1 82 PRO QB 1 82 PRO QD . . 5.400 2.778 2.665 2.901 . 0 0 "[ . 1 . 2]" 1
671 1 93 LEU HA 1 93 LEU MD1 . . 5.400 3.218 2.815 3.905 . 0 0 "[ . 1 . 2]" 1
672 1 32 PHE QB 1 37 ILE MD . . 6.000 4.727 4.169 5.324 . 0 0 "[ . 1 . 2]" 1
673 1 86 ILE HA 1 86 ILE MD . . 6.000 3.753 3.723 3.795 . 0 0 "[ . 1 . 2]" 1
674 1 36 THR HA 1 38 GLU HA . . 6.000 6.226 6.154 6.292 0.292 5 0 "[ . 1 . 2]" 1
675 1 69 ILE MG 1 70 LEU HA . . 5.000 3.852 3.151 5.360 0.360 11 0 "[ . 1 . 2]" 1
676 1 76 PRO QB 1 79 VAL QG . . 6.000 4.103 3.502 4.627 . 0 0 "[ . 1 . 2]" 1
677 1 57 TYR HA 1 62 THR MG . . 4.700 3.796 2.016 4.716 0.016 20 0 "[ . 1 . 2]" 1
678 1 58 TYR HA 1 58 TYR QE . . 6.000 4.662 4.437 5.511 . 0 0 "[ . 1 . 2]" 1
679 1 58 TYR QE 1 100 LEU HG . . 6.000 4.383 3.430 5.728 . 0 0 "[ . 1 . 2]" 1
680 1 75 ARG HA 1 76 PRO QD . . 5.200 3.597 3.580 3.614 . 0 0 "[ . 1 . 2]" 1
681 1 14 CYS QB 1 97 ILE MG . . 5.000 2.834 1.513 4.431 0.487 2 0 "[ . 1 . 2]" 1
682 1 69 ILE QG 1 73 VAL HB . . 6.000 4.921 4.125 5.807 . 0 0 "[ . 1 . 2]" 1
683 1 38 GLU HA 1 41 LEU QB . . 4.300 2.789 2.324 3.136 . 0 0 "[ . 1 . 2]" 1
684 1 37 ILE MD 1 77 MET QB . . 4.800 2.812 2.215 3.394 . 0 0 "[ . 1 . 2]" 1
685 1 103 GLU QB 1 105 THR MG . . 4.500 3.627 1.986 4.491 . 0 0 "[ . 1 . 2]" 1
686 1 51 LYS QG 1 102 TYR HA . . 6.000 2.201 1.498 3.314 0.502 3 1 "[ + . 1 . 2]" 1
687 1 12 GLU QB 1 13 VAL QG . . 5.400 2.920 2.475 3.734 . 0 0 "[ . 1 . 2]" 1
688 1 84 MET ME 1 86 ILE HB . . 6.000 5.658 5.352 6.039 0.039 10 0 "[ . 1 . 2]" 1
689 1 58 TYR QB 1 97 ILE QG . . 4.500 1.832 1.664 2.152 0.336 6 0 "[ . 1 . 2]" 1
690 1 18 LEU HG 1 59 LEU QD . . 4.700 3.156 2.583 3.754 . 0 0 "[ . 1 . 2]" 1
691 1 26 ILE MG 1 27 ASP HA . . 4.900 3.614 3.279 3.938 . 0 0 "[ . 1 . 2]" 1
692 1 54 ARG HA 1 54 ARG QG . . 4.700 2.911 2.433 3.051 . 0 0 "[ . 1 . 2]" 1
693 1 41 LEU QD 1 61 ALA MB . . 4.900 2.191 1.826 2.734 0.074 9 0 "[ . 1 . 2]" 1
694 1 77 MET QB 1 77 MET ME . . 5.800 3.591 2.044 3.710 . 0 0 "[ . 1 . 2]" 1
695 1 39 LYS HA 1 42 ILE H . . 4.800 3.538 3.142 3.833 . 0 0 "[ . 1 . 2]" 1
696 1 94 ASP QB 1 97 ILE QG . . 5.400 2.629 1.558 4.580 0.442 20 0 "[ . 1 . 2]" 1
697 1 58 TYR QE 1 97 ILE QG . . 6.000 4.729 3.586 5.534 . 0 0 "[ . 1 . 2]" 1
698 1 101 LYS HA 1 104 LYS QE . . 6.000 5.278 4.290 5.877 . 0 0 "[ . 1 . 2]" 1
699 1 17 PHE QD 1 41 LEU QD . . 5.600 4.014 3.591 4.414 . 0 0 "[ . 1 . 2]" 1
700 1 55 LEU QD 1 58 TYR QD . . 5.100 2.878 2.146 4.395 . 0 0 "[ . 1 . 2]" 1
701 1 57 TYR QB 1 58 TYR QD . . 6.000 3.611 2.618 4.111 . 0 0 "[ . 1 . 2]" 1
702 1 102 TYR QB 1 103 GLU QG . . 4.800 3.395 2.390 4.440 . 0 0 "[ . 1 . 2]" 1
703 1 52 GLU HA 1 102 TYR QE . . 5.200 4.809 3.970 5.233 0.033 9 0 "[ . 1 . 2]" 1
704 1 51 LYS HA 1 100 LEU MD2 . . 4.800 4.135 2.974 5.769 0.969 5 4 "[ + *1 .- *2]" 1
705 1 33 SER QB 1 36 THR MG . . 6.000 3.160 2.789 3.407 . 0 0 "[ . 1 . 2]" 1
706 1 77 MET HA 1 77 MET QG . . 4.700 2.706 2.388 2.898 . 0 0 "[ . 1 . 2]" 1
707 1 76 PRO HA 1 76 PRO QD . . 4.800 3.355 3.247 3.460 . 0 0 "[ . 1 . 2]" 1
708 1 41 LEU QD 1 59 LEU QD . . 4.000 3.572 2.721 3.811 . 0 0 "[ . 1 . 2]" 1
709 1 13 VAL QG 1 102 TYR QE . . 4.900 2.629 2.192 2.989 . 0 0 "[ . 1 . 2]" 1
710 1 7 PRO HA 1 7 PRO QD . . 5.100 3.514 3.467 3.545 . 0 0 "[ . 1 . 2]" 1
711 1 21 PHE HZ 1 41 LEU HA . . 4.600 3.338 2.591 3.904 . 0 0 "[ . 1 . 2]" 1
712 1 42 ILE HA 1 45 CYS H . . 4.800 3.679 3.295 3.979 . 0 0 "[ . 1 . 2]" 1
713 1 10 ASP H 1 12 GLU HA . . 5.400 5.396 5.012 5.618 0.218 15 0 "[ . 1 . 2]" 1
714 1 81 MET ME 1 89 LYS QD . . 6.000 5.270 4.778 5.595 . 0 0 "[ . 1 . 2]" 1
715 1 38 GLU HA 1 74 THR HB . . 5.800 4.702 4.361 5.116 . 0 0 "[ . 1 . 2]" 1
716 1 13 VAL QG 1 102 TYR QD . . 4.900 2.890 1.985 3.518 . 0 0 "[ . 1 . 2]" 1
717 1 25 LEU QD 1 30 VAL HB . . 5.200 4.089 2.447 4.699 . 0 0 "[ . 1 . 2]" 1
718 1 57 TYR QE 1 62 THR HB . . 5.300 4.066 3.372 4.912 . 0 0 "[ . 1 . 2]" 1
719 1 48 THR MG 1 53 ASN HA . . 6.000 5.162 4.547 5.694 . 0 0 "[ . 1 . 2]" 1
720 1 48 THR HB 1 50 GLY QA . . 6.000 5.735 5.695 5.773 . 0 0 "[ . 1 . 2]" 1
721 1 18 LEU QB 1 18 LEU MD2 . . 4.500 2.300 2.255 2.348 . 0 0 "[ . 1 . 2]" 1
722 1 51 LYS QE 1 103 GLU HA . . 6.000 4.143 2.450 5.510 . 0 0 "[ . 1 . 2]" 1
723 1 54 ARG HA 1 57 TYR QD . . 4.800 2.182 1.956 3.833 0.044 10 0 "[ . 1 . 2]" 1
724 1 42 ILE H 1 42 ILE MD . . 6.000 3.376 2.147 3.717 . 0 0 "[ . 1 . 2]" 1
725 1 82 PRO HA 1 85 LYS QE . . 4.700 3.776 2.290 4.560 . 0 0 "[ . 1 . 2]" 1
726 1 21 PHE HA 1 44 PHE QB . . 5.600 4.375 3.759 4.849 . 0 0 "[ . 1 . 2]" 1
727 1 60 GLY QA 1 65 ALA MB . . 4.700 2.688 1.721 4.252 0.179 8 0 "[ . 1 . 2]" 1
728 1 37 ILE H 1 74 THR MG . . 6.000 4.326 3.971 4.619 . 0 0 "[ . 1 . 2]" 1
729 1 7 PRO HA 1 15 LYS QG . . 6.000 4.643 3.695 5.620 . 0 0 "[ . 1 . 2]" 1
730 1 22 TYR HA 1 22 TYR QE . . 5.800 4.613 4.187 4.856 . 0 0 "[ . 1 . 2]" 1
731 1 42 ILE QG 1 61 ALA HA . . 4.900 3.747 3.151 4.478 . 0 0 "[ . 1 . 2]" 1
732 1 52 GLU QB 1 55 LEU QD . . 5.200 3.435 2.235 4.290 . 0 0 "[ . 1 . 2]" 1
733 1 91 LYS QE 1 95 SER QB . . 4.900 3.692 2.719 4.565 . 0 0 "[ . 1 . 2]" 1
734 1 84 MET HA 1 84 MET QG . . 5.800 3.042 2.552 3.489 . 0 0 "[ . 1 . 2]" 1
735 1 81 MET HA 1 82 PRO QG . . 6.000 3.924 3.777 4.128 . 0 0 "[ . 1 . 2]" 1
736 1 34 LEU HA 1 34 LEU MD1 . . 4.500 2.340 1.755 3.857 0.145 18 0 "[ . 1 . 2]" 1
737 1 34 LEU HA 1 37 ILE MD . . 4.600 3.025 1.991 4.615 0.015 7 0 "[ . 1 . 2]" 1
738 1 17 PHE HA 1 20 ARG HE . . 5.000 4.174 2.533 5.089 0.089 11 0 "[ . 1 . 2]" 1
739 1 94 ASP HA 1 95 SER HA . . 6.000 4.345 4.270 4.398 . 0 0 "[ . 1 . 2]" 1
740 1 104 LYS HA 1 104 LYS QG . . 5.000 2.876 2.330 3.525 . 0 0 "[ . 1 . 2]" 1
741 1 21 PHE HZ 1 61 ALA MB . . 6.000 5.876 5.483 6.067 0.067 8 0 "[ . 1 . 2]" 1
742 1 59 LEU QB 1 73 VAL MG2 . . 4.700 3.072 2.322 3.639 . 0 0 "[ . 1 . 2]" 1
743 1 46 LEU HA 1 53 ASN QD . . 5.000 2.948 2.396 3.372 . 0 0 "[ . 1 . 2]" 1
744 1 73 VAL HA 1 90 LEU QD . . 6.000 4.462 3.624 5.207 . 0 0 "[ . 1 . 2]" 1
745 1 36 THR HA 1 40 GLU QG . . 5.200 3.943 3.510 4.864 . 0 0 "[ . 1 . 2]" 1
746 1 6 ARG HA 1 7 PRO HA . . 5.400 4.565 4.328 4.690 . 0 0 "[ . 1 . 2]" 1
747 1 12 GLU QB 1 16 GLU QG . . 6.000 4.343 2.808 5.055 . 0 0 "[ . 1 . 2]" 1
748 1 42 ILE QG 1 61 ALA MB . . 5.200 3.398 2.424 3.965 . 0 0 "[ . 1 . 2]" 1
749 1 23 LYS HA 1 26 ILE H . . 5.000 3.333 3.060 3.591 . 0 0 "[ . 1 . 2]" 1
750 1 21 PHE QE 1 77 MET ME . . 4.300 3.363 2.827 4.002 . 0 0 "[ . 1 . 2]" 1
751 1 21 PHE HZ 1 37 ILE MG . . 5.000 2.473 2.008 3.397 . 0 0 "[ . 1 . 2]" 1
752 1 37 ILE H 1 74 THR HA . . 6.000 5.928 5.320 6.086 0.086 8 0 "[ . 1 . 2]" 1
753 1 76 PRO QG 1 86 ILE QG . . 6.000 4.097 2.827 4.602 . 0 0 "[ . 1 . 2]" 1
754 1 19 ASN HA 1 22 TYR QD . . 5.800 3.670 3.018 4.440 . 0 0 "[ . 1 . 2]" 1
755 1 34 LEU QB 1 35 ASP QB . . 6.000 4.194 3.844 4.533 . 0 0 "[ . 1 . 2]" 1
756 1 13 VAL QG 1 17 PHE QB . . 5.000 3.625 3.264 3.884 . 0 0 "[ . 1 . 2]" 1
757 1 19 ASN HA 1 83 ALA MB . . 6.000 4.592 4.048 5.465 . 0 0 "[ . 1 . 2]" 1
758 1 37 ILE HA 1 37 ILE MD . . 5.800 3.254 1.995 3.909 0.005 20 0 "[ . 1 . 2]" 1
759 1 20 ARG QG 1 44 PHE QE . . 6.000 4.250 2.926 5.453 . 0 0 "[ . 1 . 2]" 1
760 1 37 ILE MD 1 78 SER QB . . 5.000 2.978 2.033 4.669 . 0 0 "[ . 1 . 2]" 1
761 1 25 LEU HA 1 30 VAL H . . 5.100 3.366 2.934 4.142 . 0 0 "[ . 1 . 2]" 1
762 1 96 GLN HA 1 99 GLU QG . . 5.000 3.926 1.678 4.654 0.322 5 0 "[ . 1 . 2]" 1
763 1 17 PHE HA 1 20 ARG QG . . 6.000 4.675 4.064 5.074 . 0 0 "[ . 1 . 2]" 1
764 1 9 ALA HA 1 10 ASP QB . . 5.100 4.245 4.104 4.401 . 0 0 "[ . 1 . 2]" 1
765 1 34 LEU HA 1 34 LEU HG . . 5.800 3.486 3.055 3.686 . 0 0 "[ . 1 . 2]" 1
766 1 54 ARG HE 1 54 ARG QG . . 4.900 2.390 2.249 2.815 . 0 0 "[ . 1 . 2]" 1
767 1 21 PHE QE 1 25 LEU QD . . 4.900 2.392 2.191 2.643 . 0 0 "[ . 1 . 2]" 1
768 1 18 LEU MD1 1 83 ALA HA . . 4.900 3.799 3.477 4.300 . 0 0 "[ . 1 . 2]" 1
769 1 25 LEU QD 1 37 ILE HA . . 5.300 2.744 2.140 3.895 . 0 0 "[ . 1 . 2]" 1
770 1 104 LYS HA 1 104 LYS QB . . 5.200 2.343 2.161 2.533 . 0 0 "[ . 1 . 2]" 1
771 1 12 GLU HA 1 15 LYS QE . . 6.000 3.140 1.491 4.179 0.509 4 1 "[ +. 1 . 2]" 1
772 1 91 LYS QB 1 91 LYS QE . . 5.600 2.211 1.833 3.622 0.167 20 0 "[ . 1 . 2]" 1
773 1 46 LEU QB 1 53 ASN QB . . 6.000 5.265 4.736 5.564 . 0 0 "[ . 1 . 2]" 1
774 1 65 ALA MB 1 67 THR HA . . 5.100 4.986 4.591 5.288 0.188 1 0 "[ . 1 . 2]" 1
775 1 22 TYR HA 1 23 LYS H . . 5.300 3.573 3.521 3.596 . 0 0 "[ . 1 . 2]" 1
776 1 105 THR HA 1 105 THR MG . . 5.600 2.848 2.234 3.234 . 0 0 "[ . 1 . 2]" 1
777 1 65 ALA HA 1 66 ALA MB . . 6.000 4.309 3.889 4.680 . 0 0 "[ . 1 . 2]" 1
778 1 24 SER HA 1 28 ARG QB . . 5.200 4.778 3.717 5.094 . 0 0 "[ . 1 . 2]" 1
779 1 30 VAL HA 1 31 ASN QB . . 6.000 4.438 4.043 5.180 . 0 0 "[ . 1 . 2]" 1
780 1 37 ILE H 1 74 THR HB . . 6.000 4.848 4.409 5.201 . 0 0 "[ . 1 . 2]" 1
781 1 51 LYS HA 1 51 LYS QD . . 5.600 2.156 1.787 3.168 0.213 12 0 "[ . 1 . 2]" 1
782 1 21 PHE HA 1 44 PHE HZ . . 5.400 3.821 3.268 4.279 . 0 0 "[ . 1 . 2]" 1
783 1 24 SER QB 1 44 PHE HZ . . 5.400 4.280 3.571 4.954 . 0 0 "[ . 1 . 2]" 1
784 1 57 TYR QE 1 64 ASP QB . . 5.100 3.004 1.998 4.953 0.002 12 0 "[ . 1 . 2]" 1
785 1 21 PHE QD 1 44 PHE QD . . 5.200 2.997 2.641 3.515 . 0 0 "[ . 1 . 2]" 1
786 1 90 LEU HA 1 93 LEU MD2 . . 6.000 3.944 3.242 4.841 . 0 0 "[ . 1 . 2]" 1
787 1 22 TYR QD 1 83 ALA MB . . 5.100 3.171 2.523 3.628 . 0 0 "[ . 1 . 2]" 1
788 1 26 ILE MD 1 29 GLY QA . . 5.800 4.803 4.042 5.070 . 0 0 "[ . 1 . 2]" 1
789 1 83 ALA HA 1 86 ILE MG . . 6.000 3.318 3.049 3.711 . 0 0 "[ . 1 . 2]" 1
790 1 74 THR HB 1 78 SER QB . . 6.000 4.822 4.354 5.504 . 0 0 "[ . 1 . 2]" 1
791 1 23 LYS QD 1 25 LEU H . . 5.600 4.748 4.254 5.512 . 0 0 "[ . 1 . 2]" 1
792 1 21 PHE HZ 1 25 LEU QD . . 5.200 2.408 2.176 2.881 . 0 0 "[ . 1 . 2]" 1
793 1 17 PHE HZ 1 77 MET ME . . 6.000 5.935 5.368 6.058 0.058 8 0 "[ . 1 . 2]" 1
794 1 51 LYS HA 1 102 TYR QE . . 6.000 5.554 4.603 6.073 0.073 6 0 "[ . 1 . 2]" 1
795 1 88 GLU QG 1 91 LYS QD . . 5.600 3.678 2.400 5.070 . 0 0 "[ . 1 . 2]" 1
796 1 21 PHE QE 1 25 LEU QB . . 5.600 4.457 3.908 4.964 . 0 0 "[ . 1 . 2]" 1
797 1 16 GLU H 1 16 GLU QG . . 5.600 2.245 1.932 2.744 0.068 14 0 "[ . 1 . 2]" 1
798 1 8 GLY QA 1 22 TYR QB . . 6.000 5.068 4.593 5.479 . 0 0 "[ . 1 . 2]" 1
799 1 22 TYR QB 1 23 LYS HA . . 5.400 4.103 3.540 4.326 . 0 0 "[ . 1 . 2]" 1
800 1 70 LEU HG 1 74 THR MG . . 5.200 3.901 2.263 4.833 . 0 0 "[ . 1 . 2]" 1
801 1 33 SER HA 1 34 LEU HA . . 6.000 4.378 4.294 4.452 . 0 0 "[ . 1 . 2]" 1
802 1 3 ALA HA 1 19 ASN QD . . 6.000 5.120 4.086 5.858 . 0 0 "[ . 1 . 2]" 1
803 1 21 PHE QD 1 41 LEU QD . . 5.500 3.169 2.857 3.424 . 0 0 "[ . 1 . 2]" 1
804 1 86 ILE MG 1 89 LYS QE . . 5.400 3.518 2.593 4.547 . 0 0 "[ . 1 . 2]" 1
805 1 18 LEU MD1 1 83 ALA MB . . 5.400 2.994 2.433 3.676 . 0 0 "[ . 1 . 2]" 1
806 1 42 ILE HA 1 62 THR HA . . 5.500 3.732 3.042 4.319 . 0 0 "[ . 1 . 2]" 1
807 1 31 ASN QD 1 37 ILE MD . . 4.700 2.105 1.674 2.522 0.226 6 0 "[ . 1 . 2]" 1
808 1 38 GLU QG 1 39 LYS H . . 6.000 3.666 3.348 4.330 . 0 0 "[ . 1 . 2]" 1
809 1 72 GLU QG 1 93 LEU MD2 . . 6.000 4.456 3.299 5.687 . 0 0 "[ . 1 . 2]" 1
810 1 58 TYR QE 1 100 LEU MD1 . . 5.200 2.814 2.109 3.675 . 0 0 "[ . 1 . 2]" 1
811 1 25 LEU QD 1 31 ASN QD . . 6.000 2.128 1.447 4.042 0.553 10 1 "[ . + . 2]" 1
812 1 22 TYR HA 1 77 MET ME . . 4.400 3.897 3.222 4.406 0.006 20 0 "[ . 1 . 2]" 1
813 1 82 PRO QD 1 86 ILE MD . . 4.900 3.479 2.755 4.077 . 0 0 "[ . 1 . 2]" 1
814 1 41 LEU QD 1 73 VAL HB . . 5.400 2.509 2.007 3.200 . 0 0 "[ . 1 . 2]" 1
815 1 13 VAL HB 1 52 GLU HA . . 6.000 5.829 5.178 6.099 0.099 14 0 "[ . 1 . 2]" 1
816 1 58 TYR QD 1 59 LEU QD . . 6.000 4.708 3.196 5.177 . 0 0 "[ . 1 . 2]" 1
817 1 22 TYR QE 1 83 ALA HA . . 6.000 5.744 4.271 6.069 0.069 10 0 "[ . 1 . 2]" 1
818 1 13 VAL QG 1 100 LEU MD2 . . 4.500 2.962 1.640 4.382 0.260 11 0 "[ . 1 . 2]" 1
819 1 41 LEU QD 1 73 VAL MG1 . . 5.400 2.128 1.859 2.512 0.141 17 0 "[ . 1 . 2]" 1
820 1 41 LEU HA 1 42 ILE H . . 5.200 3.519 3.452 3.570 . 0 0 "[ . 1 . 2]" 1
821 1 6 ARG HA 1 6 ARG QG . . 5.200 2.807 2.305 3.494 . 0 0 "[ . 1 . 2]" 1
822 1 35 ASP HA 1 36 THR HA . . 5.800 4.708 4.644 4.764 . 0 0 "[ . 1 . 2]" 1
823 1 22 TYR QB 1 77 MET ME . . 5.000 3.037 1.986 3.874 0.014 1 0 "[ . 1 . 2]" 1
824 1 8 GLY H 1 84 MET HA . . 6.000 5.483 4.731 6.025 0.025 5 0 "[ . 1 . 2]" 1
825 1 18 LEU QB 1 83 ALA HA . . 5.200 4.778 4.559 4.953 . 0 0 "[ . 1 . 2]" 1
826 1 41 LEU QB 1 61 ALA HA . . 6.000 3.332 2.083 4.856 . 0 0 "[ . 1 . 2]" 1
827 1 21 PHE HZ 1 37 ILE HA . . 5.600 3.209 2.697 4.029 . 0 0 "[ . 1 . 2]" 1
828 1 90 LEU QB 1 97 ILE MG . . 5.800 2.862 2.218 3.753 . 0 0 "[ . 1 . 2]" 1
829 1 22 TYR QE 1 86 ILE MD . . 6.000 5.208 3.837 6.047 0.047 3 0 "[ . 1 . 2]" 1
830 1 85 LYS HA 1 85 LYS QG . . 5.200 2.660 2.227 3.366 . 0 0 "[ . 1 . 2]" 1
831 1 18 LEU MD2 1 21 PHE QB . . 6.000 3.796 3.565 4.113 . 0 0 "[ . 1 . 2]" 1
832 1 37 ILE MG 1 41 LEU QD . . 5.600 2.647 1.988 3.150 0.012 9 0 "[ . 1 . 2]" 1
833 1 42 ILE HB 1 62 THR HA . . 6.000 5.491 4.507 6.067 0.067 13 0 "[ . 1 . 2]" 1
834 1 51 LYS QB 1 102 TYR QD . . 5.200 2.609 2.021 3.456 . 0 0 "[ . 1 . 2]" 1
835 1 48 THR HB 1 49 LYS QG . . 6.000 3.969 3.124 5.028 . 0 0 "[ . 1 . 2]" 1
836 1 42 ILE HA 1 61 ALA HA . . 6.000 4.718 4.073 5.439 . 0 0 "[ . 1 . 2]" 1
837 1 17 PHE QD 1 18 LEU HG . . 5.000 3.127 2.624 3.754 . 0 0 "[ . 1 . 2]" 1
838 1 87 CYS HA 1 97 ILE MG . . 4.500 4.404 3.851 4.572 0.072 8 0 "[ . 1 . 2]" 1
839 1 35 ASP QB 1 38 GLU QB . . 5.800 4.207 3.779 4.885 . 0 0 "[ . 1 . 2]" 1
840 1 22 TYR HA 1 24 SER QB . . 6.000 5.328 4.913 5.752 . 0 0 "[ . 1 . 2]" 1
841 1 17 PHE QE 1 55 LEU QD . . 6.000 4.339 3.175 4.753 . 0 0 "[ . 1 . 2]" 1
842 1 21 PHE QE 1 41 LEU QB . . 6.000 4.035 3.027 4.467 . 0 0 "[ . 1 . 2]" 1
843 1 81 MET QB 1 82 PRO QD . . 6.000 2.201 1.631 3.225 0.269 10 0 "[ . 1 . 2]" 1
844 1 72 GLU HA 1 76 PRO QD . . 5.400 3.561 3.148 4.073 . 0 0 "[ . 1 . 2]" 1
845 1 65 ALA HA 1 66 ALA HA . . 6.000 4.386 4.291 4.639 . 0 0 "[ . 1 . 2]" 1
846 1 9 ALA MB 1 18 LEU QB . . 6.000 3.557 2.744 4.349 . 0 0 "[ . 1 . 2]" 1
847 1 57 TYR QD 1 62 THR MG . . 5.600 3.503 2.437 4.284 . 0 0 "[ . 1 . 2]" 1
848 1 18 LEU MD2 1 86 ILE HB . . 5.600 4.257 3.947 4.444 . 0 0 "[ . 1 . 2]" 1
849 1 104 LYS QB 1 105 THR MG . . 4.500 4.077 2.789 4.654 0.154 13 0 "[ . 1 . 2]" 1
850 1 17 PHE HZ 1 55 LEU QD . . 6.000 5.468 3.938 5.859 . 0 0 "[ . 1 . 2]" 1
851 1 77 MET ME 1 77 MET QG . . 5.400 2.234 2.217 2.384 . 0 0 "[ . 1 . 2]" 1
852 1 58 TYR QD 1 100 LEU MD2 . . 4.500 3.412 2.630 4.612 0.112 17 0 "[ . 1 . 2]" 1
853 1 101 LYS QB 1 101 LYS QE . . 6.000 3.755 3.590 3.877 . 0 0 "[ . 1 . 2]" 1
854 1 21 PHE QD 1 77 MET ME . . 5.400 2.249 1.995 2.613 0.005 15 0 "[ . 1 . 2]" 1
855 1 22 TYR QD 1 26 ILE MD . . 6.000 4.379 3.588 5.014 . 0 0 "[ . 1 . 2]" 1
856 1 36 THR HB 1 37 ILE QG . . 6.000 3.368 3.114 3.813 . 0 0 "[ . 1 . 2]" 1
857 1 34 LEU MD2 1 77 MET QB . . 6.000 5.627 4.317 6.587 0.587 3 2 "[ + . 1- . 2]" 1
858 1 9 ALA HA 1 83 ALA MB . . 6.000 5.584 4.859 6.075 0.075 5 0 "[ . 1 . 2]" 1
859 1 40 GLU H 1 42 ILE MD . . 6.000 5.293 4.902 5.654 . 0 0 "[ . 1 . 2]" 1
860 1 37 ILE HB 1 74 THR HA . . 5.800 3.301 2.672 3.524 . 0 0 "[ . 1 . 2]" 1
861 1 76 PRO QD 1 86 ILE MD . . 6.000 4.055 3.614 4.649 . 0 0 "[ . 1 . 2]" 1
862 1 21 PHE QB 1 22 TYR QB . . 6.000 3.700 3.491 4.088 . 0 0 "[ . 1 . 2]" 1
863 1 72 GLU HA 1 73 VAL MG2 . . 6.000 4.827 4.759 4.900 . 0 0 "[ . 1 . 2]" 1
864 1 89 LYS HA 1 89 LYS QD . . 6.000 3.865 2.158 4.427 . 0 0 "[ . 1 . 2]" 1
865 1 41 LEU QD 1 44 PHE QB . . 6.000 3.580 3.177 3.913 . 0 0 "[ . 1 . 2]" 1
866 1 94 ASP QB 1 97 ILE HB . . 5.600 3.600 1.972 4.599 0.028 10 0 "[ . 1 . 2]" 1
867 1 13 VAL QG 1 102 TYR QB . . 6.000 3.895 3.539 4.581 . 0 0 "[ . 1 . 2]" 1
868 1 58 TYR QE 1 97 ILE HA . . 5.800 4.595 3.131 5.325 . 0 0 "[ . 1 . 2]" 1
869 1 20 ARG HA 1 20 ARG QD . . 6.000 3.852 2.345 4.221 . 0 0 "[ . 1 . 2]" 1
870 1 61 ALA MB 1 62 THR HA . . 6.000 4.098 3.749 4.366 . 0 0 "[ . 1 . 2]" 1
871 1 55 LEU HA 1 58 TYR QE . . 6.000 3.329 2.552 4.032 . 0 0 "[ . 1 . 2]" 1
872 1 19 ASN QD 1 83 ALA MB . . 6.000 5.026 4.576 5.737 . 0 0 "[ . 1 . 2]" 1
873 1 36 THR HA 1 37 ILE H . . 5.800 3.548 3.523 3.583 . 0 0 "[ . 1 . 2]" 1
874 1 59 LEU HA 1 73 VAL MG2 . . 5.800 3.927 3.100 4.521 . 0 0 "[ . 1 . 2]" 1
875 1 69 ILE QG 1 73 VAL MG2 . . 5.800 2.855 2.074 4.136 . 0 0 "[ . 1 . 2]" 1
876 1 34 LEU MD1 1 35 ASP H . . 6.000 4.590 4.368 4.706 . 0 0 "[ . 1 . 2]" 1
877 1 77 MET HA 1 77 MET QB . . 5.800 2.451 2.364 2.537 . 0 0 "[ . 1 . 2]" 1
878 1 57 TYR QE 1 65 ALA MB . . 6.000 4.193 3.240 5.410 . 0 0 "[ . 1 . 2]" 1
879 1 8 GLY QA 1 16 GLU H . . 6.000 4.296 4.094 4.692 . 0 0 "[ . 1 . 2]" 1
880 1 55 LEU QD 1 100 LEU QB . . 6.000 2.974 2.166 4.007 . 0 0 "[ . 1 . 2]" 1
881 1 61 ALA HA 1 70 LEU HG . . 5.600 2.893 1.938 4.921 0.062 7 0 "[ . 1 . 2]" 1
882 1 9 ALA MB 1 84 MET ME . . 6.000 5.653 5.080 6.094 0.094 15 0 "[ . 1 . 2]" 1
883 1 71 SER HA 1 75 ARG QB . . 6.000 4.999 4.392 5.550 . 0 0 "[ . 1 . 2]" 1
884 1 52 GLU QB 1 102 TYR QE . . 6.000 4.402 3.854 5.016 . 0 0 "[ . 1 . 2]" 1
885 1 67 THR HB 1 68 LYS QB . . 6.000 4.889 3.798 5.454 . 0 0 "[ . 1 . 2]" 1
886 1 25 LEU QB 1 26 ILE QG . . 6.000 3.384 2.888 3.572 . 0 0 "[ . 1 . 2]" 1
887 1 82 PRO QB 1 83 ALA MB . . 6.000 4.652 4.581 4.794 . 0 0 "[ . 1 . 2]" 1
888 1 20 ARG HA 1 21 PHE H . . 5.800 3.543 3.519 3.570 . 0 0 "[ . 1 . 2]" 1
889 1 70 LEU HA 1 70 LEU HG . . 5.400 2.798 2.452 3.730 . 0 0 "[ . 1 . 2]" 1
890 1 30 VAL HB 1 36 THR MG . . 5.800 3.380 1.946 4.559 0.054 13 0 "[ . 1 . 2]" 1
891 1 41 LEU QD 1 59 LEU QB . . 5.600 3.637 2.732 4.009 . 0 0 "[ . 1 . 2]" 1
892 1 34 LEU QB 1 35 ASP HA . . 6.000 3.862 3.721 4.081 . 0 0 "[ . 1 . 2]" 1
893 1 76 PRO QB 1 86 ILE MG . . 6.000 3.853 3.354 4.487 . 0 0 "[ . 1 . 2]" 1
894 1 28 ARG HA 1 28 ARG QD . . 6.000 4.013 3.634 4.483 . 0 0 "[ . 1 . 2]" 1
895 1 55 LEU HA 1 97 ILE HA . . 6.000 4.809 3.684 6.001 0.001 17 0 "[ . 1 . 2]" 1
896 1 57 TYR QB 1 62 THR MG . . 6.000 4.617 3.410 5.383 . 0 0 "[ . 1 . 2]" 1
897 1 77 MET HA 1 80 HIS HA . . 6.000 5.563 4.210 6.102 0.102 9 0 "[ . 1 . 2]" 1
898 1 31 ASN QD 1 74 THR HA . . 6.000 5.412 4.921 5.705 . 0 0 "[ . 1 . 2]" 1
899 1 23 LYS HA 1 27 ASP H . . 6.000 3.937 3.498 4.205 . 0 0 "[ . 1 . 2]" 1
900 1 61 ALA MB 1 70 LEU QB . . 6.000 4.774 3.775 5.661 . 0 0 "[ . 1 . 2]" 1
901 1 37 ILE MG 1 38 GLU HA . . 5.800 3.764 3.532 3.982 . 0 0 "[ . 1 . 2]" 1
902 1 97 ILE HA 1 97 ILE MD . . 6.000 3.816 3.740 3.872 . 0 0 "[ . 1 . 2]" 1
903 1 10 ASP HA 1 15 LYS QD . . 6.000 4.283 2.163 5.458 . 0 0 "[ . 1 . 2]" 1
904 1 13 VAL HA 1 102 TYR QD . . 6.000 4.165 3.484 4.868 . 0 0 "[ . 1 . 2]" 1
905 1 25 LEU QD 1 77 MET ME . . 4.800 4.478 4.036 4.675 . 0 0 "[ . 1 . 2]" 1
906 1 20 ARG QD 1 44 PHE HZ . . 6.000 3.901 2.998 5.292 . 0 0 "[ . 1 . 2]" 1
907 1 17 PHE QD 1 52 GLU QG . . 6.000 3.907 2.971 4.942 . 0 0 "[ . 1 . 2]" 1
908 1 17 PHE HA 1 17 PHE HZ . . 6.000 5.992 5.929 6.040 0.040 3 0 "[ . 1 . 2]" 1
909 1 30 VAL QG 1 40 GLU QB . . 6.000 3.129 2.001 3.495 . 0 0 "[ . 1 . 2]" 1
910 1 42 ILE MG 1 45 CYS QB . . 6.000 4.029 3.359 4.974 . 0 0 "[ . 1 . 2]" 1
911 1 82 PRO QD 1 83 ALA HA . . 6.000 5.280 4.824 5.622 . 0 0 "[ . 1 . 2]" 1
912 1 14 CYS HA 1 18 LEU H . . 6.000 4.031 3.482 4.436 . 0 0 "[ . 1 . 2]" 1
913 1 43 SER H 1 44 PHE QB . . 6.000 4.501 4.292 4.634 . 0 0 "[ . 1 . 2]" 1
914 1 55 LEU HA 1 100 LEU MD2 . . 5.800 3.209 2.092 4.440 . 0 0 "[ . 1 . 2]" 1
915 1 68 LYS HA 1 68 LYS QD . . 6.000 3.601 1.870 4.516 0.130 3 0 "[ . 1 . 2]" 1
916 1 6 ARG HA 1 6 ARG QD . . 6.000 2.711 1.942 4.201 0.058 16 0 "[ . 1 . 2]" 1
917 1 21 PHE QD 1 44 PHE QB . . 6.000 2.460 2.177 2.768 . 0 0 "[ . 1 . 2]" 1
918 1 86 ILE HA 1 87 CYS HA . . 6.000 4.715 4.619 4.803 . 0 0 "[ . 1 . 2]" 1
919 1 28 ARG QD 1 30 VAL QG . . 5.200 3.102 2.111 3.492 . 0 0 "[ . 1 . 2]" 1
920 1 90 LEU QB 1 97 ILE HB . . 5.800 3.899 3.246 4.694 . 0 0 "[ . 1 . 2]" 1
921 1 23 LYS HA 1 26 ILE MD . . 6.000 4.487 3.977 4.838 . 0 0 "[ . 1 . 2]" 1
922 1 75 ARG HA 1 75 ARG QD . . 6.000 2.700 2.118 3.951 . 0 0 "[ . 1 . 2]" 1
923 1 85 LYS QG 1 86 ILE HA . . 6.000 4.512 3.029 5.678 . 0 0 "[ . 1 . 2]" 1
924 1 19 ASN QB 1 20 ARG HA . . 6.000 4.055 3.653 4.189 . 0 0 "[ . 1 . 2]" 1
925 1 58 TYR HA 1 58 TYR QB . . 5.400 2.344 2.136 2.406 . 0 0 "[ . 1 . 2]" 1
926 1 12 GLU QG 1 13 VAL QG . . 6.000 3.338 2.689 4.432 . 0 0 "[ . 1 . 2]" 1
927 1 48 THR HA 1 49 LYS QB . . 6.000 4.797 4.607 4.931 . 0 0 "[ . 1 . 2]" 1
928 1 22 TYR QB 1 83 ALA MB . . 4.900 3.750 3.288 4.671 . 0 0 "[ . 1 . 2]" 1
929 1 6 ARG QB 1 6 ARG QD . . 6.000 2.383 2.091 2.883 . 0 0 "[ . 1 . 2]" 1
930 1 12 GLU QG 1 13 VAL HA . . 6.000 3.492 2.849 5.344 . 0 0 "[ . 1 . 2]" 1
931 1 1 GLN QB 1 1 GLN QG . . 5.400 2.043 1.958 2.088 0.042 4 0 "[ . 1 . 2]" 1
932 1 42 ILE HA 1 42 ILE MD . . 6.000 3.626 2.531 3.865 . 0 0 "[ . 1 . 2]" 1
933 1 56 CYS HA 1 62 THR MG . . 6.000 5.350 4.052 6.100 0.100 13 0 "[ . 1 . 2]" 1
934 1 62 THR HA 1 63 LYS QB . . 6.000 4.496 4.212 5.031 . 0 0 "[ . 1 . 2]" 1
935 1 84 MET ME 1 89 LYS QE . . 6.000 5.725 5.525 5.904 . 0 0 "[ . 1 . 2]" 1
936 1 11 CYS HA 1 101 LYS QE . . 6.000 4.076 2.913 5.325 . 0 0 "[ . 1 . 2]" 1
937 1 40 GLU H 1 42 ILE MG . . 6.000 6.127 6.013 6.246 0.246 6 0 "[ . 1 . 2]" 1
938 1 41 LEU QD 1 73 VAL MG2 . . 6.000 3.148 2.540 3.605 . 0 0 "[ . 1 . 2]" 1
939 1 81 MET ME 1 82 PRO QD . . 6.000 2.276 1.710 3.300 0.090 13 0 "[ . 1 . 2]" 1
940 1 77 MET HA 1 86 ILE MD . . 6.000 4.728 3.708 5.923 . 0 0 "[ . 1 . 2]" 1
941 1 33 SER QB 1 35 ASP HA . . 6.000 5.477 5.316 5.643 . 0 0 "[ . 1 . 2]" 1
942 1 71 SER HA 1 73 VAL MG2 . . 6.000 5.595 5.299 6.055 0.055 15 0 "[ . 1 . 2]" 1
943 1 37 ILE HA 1 74 THR HA . . 5.600 5.363 4.959 5.678 0.078 15 0 "[ . 1 . 2]" 1
944 1 9 ALA MB 1 12 GLU HA . . 6.000 5.224 4.450 5.759 . 0 0 "[ . 1 . 2]" 1
945 1 13 VAL HA 1 101 LYS QD . . 6.000 5.592 4.960 5.877 . 0 0 "[ . 1 . 2]" 1
946 1 51 LYS QB 1 55 LEU QD . . 5.100 4.480 4.007 4.869 . 0 0 "[ . 1 . 2]" 1
947 1 32 PHE QD 1 37 ILE MD . . 6.000 5.192 4.585 6.000 . 0 0 "[ . 1 . 2]" 1
948 1 62 THR HA 1 63 LYS QG . . 6.000 3.645 3.348 3.953 . 0 0 "[ . 1 . 2]" 1
949 1 44 PHE QE 1 48 THR HA . . 6.000 5.534 4.904 6.016 0.016 8 0 "[ . 1 . 2]" 1
950 1 70 LEU QB 1 71 SER HA . . 6.000 4.012 3.735 4.334 . 0 0 "[ . 1 . 2]" 1
951 1 17 PHE QB 1 18 LEU MD2 . . 6.000 3.815 3.463 4.114 . 0 0 "[ . 1 . 2]" 1
952 1 27 ASP HA 1 29 GLY H . . 6.000 4.058 3.735 4.349 . 0 0 "[ . 1 . 2]" 1
953 1 51 LYS HA 1 51 LYS QE . . 6.000 3.592 1.958 4.460 . 0 0 "[ . 1 . 2]" 1
954 1 46 LEU HA 1 46 LEU HG . . 6.000 3.308 2.475 3.720 . 0 0 "[ . 1 . 2]" 1
955 1 81 MET ME 1 86 ILE QG . . 6.000 3.608 2.867 4.256 . 0 0 "[ . 1 . 2]" 1
956 1 21 PHE QD 1 44 PHE HA . . 6.000 4.889 4.486 5.311 . 0 0 "[ . 1 . 2]" 1
957 1 6 ARG HA 1 6 ARG QB . . 6.000 2.363 2.163 2.468 . 0 0 "[ . 1 . 2]" 1
958 1 39 LYS HA 1 40 GLU H . . 6.000 3.514 3.442 3.553 . 0 0 "[ . 1 . 2]" 1
959 1 55 LEU QD 1 97 ILE HA . . 6.000 3.013 2.077 4.457 . 0 0 "[ . 1 . 2]" 1
960 1 14 CYS QB 1 55 LEU QD . . 6.000 2.493 1.917 2.942 0.083 17 0 "[ . 1 . 2]" 1
961 1 84 MET ME 1 86 ILE QG . . 6.000 4.471 4.162 4.878 . 0 0 "[ . 1 . 2]" 1
962 1 44 PHE QB 1 45 CYS QB . . 6.000 4.221 3.880 4.571 . 0 0 "[ . 1 . 2]" 1
963 1 36 THR MG 1 37 ILE HA . . 6.000 3.529 3.232 3.896 . 0 0 "[ . 1 . 2]" 1
964 1 61 ALA HA 1 70 LEU QB . . 6.000 3.920 3.006 4.694 . 0 0 "[ . 1 . 2]" 1
965 1 51 LYS QE 1 103 GLU QG . . 6.000 4.047 1.949 5.522 0.051 8 0 "[ . 1 . 2]" 1
966 1 25 LEU QD 1 36 THR MG . . 6.000 3.801 3.402 4.442 . 0 0 "[ . 1 . 2]" 1
967 1 71 SER QB 1 75 ARG QB . . 6.000 4.664 3.956 5.533 . 0 0 "[ . 1 . 2]" 1
968 1 17 PHE HA 1 20 ARG H . . 6.000 4.069 3.709 4.396 . 0 0 "[ . 1 . 2]" 1
969 1 77 MET QB 1 77 MET QG . . 6.000 1.997 1.980 2.081 0.020 6 0 "[ . 1 . 2]" 1
970 1 3 ALA MB 1 4 GLY QA . . 6.000 3.841 3.291 4.215 . 0 0 "[ . 1 . 2]" 1
971 1 68 LYS HA 1 68 LYS QE . . 6.000 4.415 2.336 5.153 . 0 0 "[ . 1 . 2]" 1
972 1 30 VAL QG 1 36 THR HB . . 6.000 3.746 2.961 4.730 . 0 0 "[ . 1 . 2]" 1
973 1 7 PRO QD 1 19 ASN HA . . 6.000 5.292 4.137 5.917 . 0 0 "[ . 1 . 2]" 1
974 1 51 LYS QE 1 100 LEU QB . . 6.000 4.677 3.329 5.522 . 0 0 "[ . 1 . 2]" 1
975 1 67 THR HA 1 68 LYS QB . . 6.000 5.190 4.954 5.468 . 0 0 "[ . 1 . 2]" 1
976 1 39 LYS QE 1 42 ILE H . . 6.000 5.392 4.378 5.832 . 0 0 "[ . 1 . 2]" 1
977 1 22 TYR QD 1 77 MET ME . . 6.000 3.340 2.257 4.210 . 0 0 "[ . 1 . 2]" 1
978 1 101 LYS QB 1 104 LYS QB . . 6.000 3.572 1.815 5.448 0.185 18 0 "[ . 1 . 2]" 1
979 1 94 ASP HA 1 95 SER QB . . 6.000 4.393 4.000 4.529 . 0 0 "[ . 1 . 2]" 1
980 1 33 SER QB 1 34 LEU HA . . 6.000 4.734 4.645 4.852 . 0 0 "[ . 1 . 2]" 1
981 1 62 THR HA 1 65 ALA MB . . 6.000 5.184 3.975 6.083 0.083 8 0 "[ . 1 . 2]" 1
982 1 45 CYS QB 1 62 THR MG . . 6.000 3.624 2.465 5.644 . 0 0 "[ . 1 . 2]" 1
983 1 41 LEU QD 1 42 ILE MD . . 6.000 4.908 2.864 5.532 . 0 0 "[ . 1 . 2]" 1
984 1 34 LEU MD2 1 37 ILE MD . . 6.000 3.552 1.974 5.157 0.026 8 0 "[ . 1 . 2]" 1
985 1 81 MET QG 1 86 ILE MD . . 6.000 3.707 1.826 4.522 . 0 0 "[ . 1 . 2]" 1
986 1 83 ALA MB 1 86 ILE MD . . 6.000 2.544 2.093 2.845 . 0 0 "[ . 1 . 2]" 1
987 1 55 LEU QD 1 58 TYR QB . . 6.000 2.960 1.975 4.803 . 0 0 "[ . 1 . 2]" 1
988 1 9 ALA MB 1 86 ILE MG . . 6.000 5.418 4.869 5.938 . 0 0 "[ . 1 . 2]" 1
989 1 75 ARG QB 1 76 PRO QD . . 6.000 1.977 1.776 2.212 0.224 8 0 "[ . 1 . 2]" 1
990 1 46 LEU H 1 53 ASN HA . . 6.000 5.294 5.047 5.520 . 0 0 "[ . 1 . 2]" 1
991 1 24 SER HA 1 27 ASP QB . . 6.000 2.544 2.113 2.956 . 0 0 "[ . 1 . 2]" 1
992 1 65 ALA HA 1 67 THR MG . . 6.000 5.873 5.240 6.157 0.157 14 0 "[ . 1 . 2]" 1
993 1 86 ILE MG 1 87 CYS QB . . 6.000 4.204 3.799 4.912 . 0 0 "[ . 1 . 2]" 1
994 1 96 GLN QG 1 99 GLU QB . . 6.000 4.237 2.896 5.246 . 0 0 "[ . 1 . 2]" 1
995 1 6 ARG QD 1 7 PRO QD . . 6.000 3.877 2.603 5.158 . 0 0 "[ . 1 . 2]" 1
996 1 21 PHE QD 1 24 SER QB . . 6.000 4.036 3.660 4.455 . 0 0 "[ . 1 . 2]" 1
997 1 43 SER QB 1 44 PHE QB . . 6.000 3.675 3.437 3.885 . 0 0 "[ . 1 . 2]" 1
998 1 42 ILE MG 1 43 SER HA . . 6.000 3.164 2.917 3.314 . 0 0 "[ . 1 . 2]" 1
999 1 97 ILE HA 1 100 LEU MD1 . . 6.000 3.604 2.213 5.334 . 0 0 "[ . 1 . 2]" 1
1000 1 45 CYS HA 1 61 ALA MB . . 6.000 4.750 3.619 6.020 0.020 11 0 "[ . 1 . 2]" 1
1001 1 73 VAL HB 1 74 THR MG . . 6.000 3.292 3.041 3.736 . 0 0 "[ . 1 . 2]" 1
1002 1 62 THR HB 1 65 ALA MB . . 6.000 3.836 1.801 5.788 . 0 0 "[ . 1 . 2]" 1
1003 1 82 PRO QD 1 83 ALA MB . . 6.000 4.966 4.748 5.121 . 0 0 "[ . 1 . 2]" 1
1004 1 84 MET ME 1 85 LYS QG . . 6.000 3.611 2.230 4.942 . 0 0 "[ . 1 . 2]" 1
1005 1 9 ALA MB 1 15 LYS QB . . 6.000 2.294 1.832 3.872 0.168 2 0 "[ . 1 . 2]" 1
1006 1 11 CYS HA 1 99 GLU HA . . 6.000 5.280 4.114 6.205 0.205 1 0 "[ . 1 . 2]" 1
1007 1 25 LEU QD 1 28 ARG HA . . 6.000 6.003 5.715 6.221 0.221 4 0 "[ . 1 . 2]" 1
1008 1 74 THR HA 1 75 ARG QD . . 6.000 5.000 4.480 5.885 . 0 0 "[ . 1 . 2]" 1
1009 1 43 SER HA 1 46 LEU QB . . 6.000 3.246 2.591 3.821 . 0 0 "[ . 1 . 2]" 1
1010 1 79 VAL QG 1 81 MET QG . . 6.000 2.035 1.521 3.716 0.479 8 0 "[ . 1 . 2]" 1
1011 1 26 ILE HA 1 29 GLY H . . 6.000 3.499 3.166 3.805 . 0 0 "[ . 1 . 2]" 1
1012 1 67 THR HB 1 70 LEU QD . . 6.000 4.253 2.827 5.459 . 0 0 "[ . 1 . 2]" 1
1013 1 9 ALA MB 1 15 LYS HA . . 6.000 2.368 1.832 2.977 . 0 0 "[ . 1 . 2]" 1
1014 1 83 ALA HA 1 86 ILE HA . . 6.000 4.389 4.100 4.748 . 0 0 "[ . 1 . 2]" 1
1015 1 18 LEU QB 1 19 ASN HA . . 6.000 3.766 3.611 3.920 . 0 0 "[ . 1 . 2]" 1
1016 1 51 LYS QG 1 55 LEU QD . . 6.000 4.544 3.676 5.137 . 0 0 "[ . 1 . 2]" 1
1017 1 25 LEU QD 1 37 ILE QG . . 6.000 2.948 1.944 5.050 . 0 0 "[ . 1 . 2]" 1
1018 1 82 PRO HA 1 83 ALA MB . . 6.000 4.818 4.770 4.871 . 0 0 "[ . 1 . 2]" 1
1019 1 18 LEU MD2 1 86 ILE QG . . 6.000 5.563 5.204 5.680 . 0 0 "[ . 1 . 2]" 1
1020 1 17 PHE HA 1 20 ARG QB . . 6.000 3.245 2.895 3.712 . 0 0 "[ . 1 . 2]" 1
1021 1 57 TYR QB 1 65 ALA MB . . 6.000 3.280 2.232 4.299 . 0 0 "[ . 1 . 2]" 1
1022 1 97 ILE HA 1 100 LEU HG . . 6.000 5.032 3.296 6.081 0.081 14 0 "[ . 1 . 2]" 1
1023 1 42 ILE H 1 74 THR MG . . 6.000 5.615 5.273 6.030 0.030 20 0 "[ . 1 . 2]" 1
1024 1 90 LEU HA 1 93 LEU HG . . 6.000 4.569 2.781 5.855 . 0 0 "[ . 1 . 2]" 1
1025 1 22 TYR QE 1 26 ILE QG . . 6.000 4.071 2.703 5.025 . 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 7
_Distance_constraint_stats_list.Viol_count 120
_Distance_constraint_stats_list.Viol_total 8827.480
_Distance_constraint_stats_list.Viol_max 5.921
_Distance_constraint_stats_list.Viol_rms 1.7197
_Distance_constraint_stats_list.Viol_average_all_restraints 3.1527
_Distance_constraint_stats_list.Viol_average_violations_only 3.6781
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 12 GLU 77.950 5.264 6 20 [*****+*********-****]
1 31 ASN 96.505 5.921 12 20 [******-****+********]
1 43 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 PHE 176.282 5.598 16 20 [***************+*-**]
1 57 TYR 266.919 5.598 16 20 [***************+***-]
1 61 ALA 90.637 3.597 15 20 [**************+****-]
1 81 MET 96.505 5.921 12 20 [******-****+********]
1 96 GLN 77.950 5.264 6 20 [*****+*********-****]
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 43 SER QB 1 44 PHE H . . 2.700 2.439 2.258 2.654 . 0 0 "[ . 1 . 2]" 2
2 1 44 PHE QD 1 57 TYR QD . . 6.000 10.251 9.321 11.498 5.498 16 20 [***************+*-**] 2
3 1 44 PHE QD 1 57 TYR QE . . 6.000 10.563 9.527 11.598 5.598 16 20 [***************+*-**] 2
4 1 57 TYR QD 1 61 ALA HA . . 6.000 7.920 7.009 8.994 2.994 15 20 [**************+****-] 2
5 1 57 TYR QE 1 61 ALA HA . . 6.000 8.612 7.566 9.597 3.597 15 20 [**************+****-] 2
6 1 12 GLU QB 1 96 GLN QG . . 6.000 9.897 8.204 11.264 5.264 6 20 [*****+*********-****] 2
7 1 31 ASN QB 1 81 MET HA . . 6.000 10.825 8.713 11.921 5.921 12 20 [******-****+********] 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 73
_Distance_constraint_stats_list.Viol_count 1460
_Distance_constraint_stats_list.Viol_total 61789.578
_Distance_constraint_stats_list.Viol_max 4.585
_Distance_constraint_stats_list.Viol_rms 0.5383
_Distance_constraint_stats_list.Viol_average_all_restraints 2.1161
_Distance_constraint_stats_list.Viol_average_violations_only 2.1161
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 12 GLU 77.019 2.429 16 20 [-**************+****]
1 13 VAL 83.705 2.475 7 20 [-*****+*************]
1 14 CYS 72.063 2.158 19 20 [**************-***+*]
1 15 LYS 61.674 2.012 19 20 [*****-************+*]
1 16 GLU 60.100 1.970 19 20 [***********-******+*]
1 17 PHE 136.927 2.429 16 20 [-**************+****]
1 18 LEU 158.257 2.475 7 20 [******+***********-*]
1 19 ASN 141.008 2.158 19 20 [**************-***+*]
1 20 ARG 135.039 2.364 12 20 [*****-*****+********]
1 21 PHE 137.015 2.353 2 20 [*+*********-********]
1 22 TYR 152.446 2.984 17 20 [-***************+***]
1 23 LYS 143.265 2.384 11 20 [***-******+*********]
1 24 SER 68.945 2.150 14 20 [-************+******]
1 25 LEU 73.365 2.364 12 20 [***********+******-*]
1 26 ILE 76.915 2.353 2 20 [*+****************-*]
1 27 ASP 92.537 2.984 17 20 [***-************+***]
1 28 ARG 68.713 2.107 13 20 [***-********+*******]
1 34 LEU 87.078 2.673 9 20 [********+*********-*]
1 35 ASP 88.531 2.730 6 20 [***-*+**************]
1 36 THR 65.457 2.020 9 20 [********+******-****]
1 37 ILE 75.780 2.265 13 20 [*****-******+*******]
1 38 GLU 89.718 3.022 6 20 [***-*+**************]
1 39 LYS 164.076 2.673 9 20 [********+*********-*]
1 40 GLU 144.730 2.730 6 20 [*****+***-**********]
1 41 LEU 145.114 2.685 11 20 [**********+****-****]
1 42 ILE 75.780 2.265 13 20 [*****-******+*******]
1 43 SER 89.718 3.022 6 20 [***-*+**************]
1 44 PHE 76.999 2.271 4 20 [***+***************-]
1 45 CYS 56.199 1.866 9 20 [********+-**********]
1 46 LEU 79.656 2.685 11 20 [-*********+*********]
1 50 GLY 65.974 2.283 12 20 [-**********+********]
1 51 LYS 88.715 2.733 16 20 [*********-*****+****]
1 52 GLU 97.755 3.367 16 20 [********-******+****]
1 53 ASN 137.210 4.107 17 20 [******-*********+***]
1 55 LEU 65.974 2.283 12 20 [-**********+********]
1 56 CYS 88.715 2.733 16 20 [*********-*****+****]
1 57 TYR 97.755 3.367 16 20 [********-******+****]
1 58 TYR 137.210 4.107 17 20 [******-*********+***]
1 67 THR 106.473 3.746 11 20 [******-***+*********]
1 68 LYS 109.659 4.585 10 20 [*********+*****-****]
1 69 ILE 86.752 3.207 4 20 [***+**********-*****]
1 70 LEU 83.674 2.509 4 20 [***+***********-****]
1 71 SER 41.197 3.169 12 20 [**********-+********]
1 72 GLU 216.057 3.746 11 20 [******-***+*********]
1 73 VAL 189.997 4.585 10 20 [********-+**********]
1 74 THR 86.752 3.207 4 20 [***+**********-*****]
1 75 ARG 83.674 2.509 4 20 [***+***********-****]
1 76 PRO 41.197 3.169 12 20 [**********-+********]
1 77 MET 109.585 3.357 5 20 [****+*********-*****]
1 78 SER 80.338 2.578 5 20 [****+***-***********]
1 82 PRO 101.171 3.359 10 20 [*********+*-********]
1 83 ALA 99.606 3.317 19 20 [**************-***+*]
1 84 MET 119.344 3.359 16 20 [**************-+****]
1 85 LYS 77.937 2.406 16 20 [***************+*-**]
1 86 ILE 85.113 2.657 4 20 [***+-***************]
1 87 CYS 211.232 3.989 5 20 [****+*****-*********]
1 88 GLU 99.606 3.317 19 20 [**************-***+*]
1 89 LYS 119.344 3.359 16 20 [**************-+****]
1 90 LEU 77.937 2.406 16 20 [***************+*-**]
1 91 LYS 85.113 2.657 4 20 [***+-***************]
1 92 LYS 110.061 3.989 5 20 [****+*****-*********]
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 12 GLU O 1 17 PHE N 3.200 2.200 3.200 4.992 4.637 5.410 2.210 16 20 [-**************+****] 3
2 1 12 GLU O 1 17 PHE H 2.200 . 2.200 4.258 3.854 4.629 2.429 16 20 [-**************+****] 3
3 1 13 VAL O 1 18 LEU N 3.200 2.200 3.200 5.167 4.857 5.424 2.224 7 20 [-*****+*************] 3
4 1 13 VAL O 1 18 LEU H 2.200 . 2.200 4.418 4.115 4.675 2.475 7 20 [-*****+*************] 3
5 1 14 CYS O 1 19 ASN N 3.200 2.200 3.200 4.886 4.414 5.158 1.958 19 20 [**************-***+*] 3
6 1 14 CYS O 1 19 ASN H 2.200 . 2.200 4.117 3.675 4.358 2.158 19 20 [**************-***+*] 3
7 1 15 LYS O 1 20 ARG N 3.200 2.200 3.200 4.638 4.286 4.887 1.687 13 20 [*****-******+*******] 3
8 1 15 LYS O 1 20 ARG H 2.200 . 2.200 3.845 3.467 4.212 2.012 19 20 [*****-************+*] 3
9 1 16 GLU O 1 21 PHE N 3.200 2.200 3.200 4.594 4.262 4.942 1.742 7 20 [******+****-********] 3
10 1 16 GLU O 1 21 PHE H 2.200 . 2.200 3.811 3.465 4.170 1.970 19 20 [***********-******+*] 3
11 1 17 PHE O 1 22 TYR N 3.200 2.200 3.200 4.590 4.426 4.744 1.544 19 20 [-*****************+*] 3
12 1 17 PHE O 1 22 TYR H 2.200 . 2.200 3.806 3.659 3.908 1.708 2 20 [*+*******-**********] 3
13 1 18 LEU O 1 23 LYS N 3.200 2.200 3.200 4.891 4.661 5.242 2.042 14 20 [*************+****-*] 3
14 1 18 LEU O 1 23 LYS H 2.200 . 2.200 4.237 4.000 4.584 2.384 11 20 [**********+*******-*] 3
15 1 19 ASN O 1 24 SER N 3.200 2.200 3.200 4.823 4.615 5.124 1.924 14 20 [-************+******] 3
16 1 19 ASN O 1 24 SER H 2.200 . 2.200 4.024 3.790 4.350 2.150 14 20 [*************+****-*] 3
17 1 20 ARG O 1 25 LEU N 3.200 2.200 3.200 4.869 4.488 5.208 2.008 12 20 [***********+******-*] 3
18 1 20 ARG O 1 25 LEU H 2.200 . 2.200 4.199 3.786 4.564 2.364 12 20 [***********+******-*] 3
19 1 21 PHE O 1 26 ILE N 3.200 2.200 3.200 4.994 4.742 5.296 2.096 2 20 [*+****************-*] 3
20 1 21 PHE O 1 26 ILE H 2.200 . 2.200 4.252 4.039 4.553 2.353 2 20 [*+****-*************] 3
21 1 22 TYR O 1 27 ASP N 3.200 2.200 3.200 5.404 4.976 5.990 2.790 17 20 [***-************+***] 3
22 1 22 TYR O 1 27 ASP H 2.200 . 2.200 4.622 4.158 5.184 2.984 17 20 [***-************+***] 3
23 1 23 LYS O 1 28 ARG N 3.200 2.200 3.200 4.788 4.248 5.033 1.833 13 20 [***-********+*******] 3
24 1 23 LYS O 1 28 ARG H 2.200 . 2.200 4.047 3.504 4.307 2.107 13 20 [***-********+*******] 3
25 1 34 LEU O 1 39 LYS N 3.200 2.200 3.200 5.222 4.820 5.598 2.398 9 20 [********+*********-*] 3
26 1 34 LEU O 1 39 LYS H 2.200 . 2.200 4.532 4.095 4.873 2.673 9 20 [********+*********-*] 3
27 1 35 ASP O 1 40 GLU N 3.200 2.200 3.200 5.284 5.007 5.649 2.449 9 20 [***-****+***********] 3
28 1 35 ASP O 1 40 GLU H 2.200 . 2.200 4.542 4.271 4.930 2.730 6 20 [****-+**************] 3
29 1 36 THR O 1 41 LEU N 3.200 2.200 3.200 4.711 4.423 4.912 1.712 19 20 [***************-**+*] 3
30 1 36 THR O 1 41 LEU H 2.200 . 2.200 3.961 3.632 4.220 2.020 9 20 [********+******-****] 3
31 1 37 ILE O 1 42 ILE N 3.200 2.200 3.200 4.940 4.833 5.138 1.938 13 20 [*****-******+*******] 3
32 1 37 ILE O 1 42 ILE H 2.200 . 2.200 4.249 4.085 4.465 2.265 13 20 [********-***+*******] 3
33 1 38 GLU O 1 43 SER N 3.200 2.200 3.200 5.322 4.956 6.010 2.810 6 20 [***-*+**************] 3
34 1 38 GLU O 1 43 SER H 2.200 . 2.200 4.564 4.193 5.222 3.022 6 20 [*****+*********-****] 3
35 1 39 LYS O 1 44 PHE N 3.200 2.200 3.200 4.990 4.827 5.187 1.987 1 20 [+******************-] 3
36 1 39 LYS O 1 44 PHE H 2.200 . 2.200 4.260 4.084 4.471 2.271 4 20 [***+***************-] 3
37 1 40 GLU O 1 45 CYS N 3.200 2.200 3.200 4.484 4.284 4.816 1.616 9 20 [********+-**********] 3
38 1 40 GLU O 1 45 CYS H 2.200 . 2.200 3.726 3.533 4.066 1.866 9 20 [********+********-**] 3
39 1 41 LEU O 1 46 LEU N 3.200 2.200 3.200 5.006 4.638 5.519 2.319 11 20 [-*********+*********] 3
40 1 41 LEU O 1 46 LEU H 2.200 . 2.200 4.376 3.947 4.885 2.685 11 20 [-*********+*********] 3
41 1 50 GLY O 1 55 LEU N 3.200 2.200 3.200 4.734 4.419 5.213 2.013 12 20 [-**********+********] 3
42 1 50 GLY O 1 55 LEU H 2.200 . 2.200 3.965 3.648 4.483 2.283 12 20 [-**********+********] 3
43 1 51 LYS O 1 56 CYS N 3.200 2.200 3.200 5.211 5.086 5.494 2.294 16 20 [*********-*****+****] 3
44 1 51 LYS O 1 56 CYS H 2.200 . 2.200 4.624 4.425 4.933 2.733 16 20 [*-*************+****] 3
45 1 52 GLU O 1 57 TYR N 3.200 2.200 3.200 5.471 5.115 6.220 3.020 16 20 [********-******+****] 3
46 1 52 GLU O 1 57 TYR H 2.200 . 2.200 4.817 4.433 5.567 3.367 16 20 [********-******+****] 3
47 1 53 ASN O 1 58 TYR N 3.200 2.200 3.200 6.498 5.731 6.999 3.799 12 20 [******-****+********] 3
48 1 53 ASN O 1 58 TYR H 2.200 . 2.200 5.763 5.076 6.307 4.107 17 20 [******-*********+***] 3
49 1 67 THR O 1 72 GLU N 3.200 2.200 3.200 5.759 4.615 6.771 3.571 11 20 [******-***+*********] 3
50 1 67 THR O 1 72 GLU H 2.200 . 2.200 4.965 3.832 5.946 3.746 11 20 [******-***+*********] 3
51 1 68 LYS O 1 73 VAL N 3.200 2.200 3.200 5.791 5.086 7.600 4.400 10 20 [*********+*****-****] 3
52 1 68 LYS O 1 73 VAL H 2.200 . 2.200 5.092 4.416 6.785 4.585 10 20 [*********+*****-****] 3
53 1 69 ILE O 1 74 THR N 3.200 2.200 3.200 5.258 4.763 6.239 3.039 10 20 [*********+****-*****] 3
54 1 69 ILE O 1 74 THR H 2.200 . 2.200 4.480 3.970 5.407 3.207 4 20 [***+**********-*****] 3
55 1 70 LEU O 1 75 ARG N 3.200 2.200 3.200 5.147 4.915 5.439 2.239 4 20 [***+***********-****] 3
56 1 70 LEU O 1 75 ARG H 2.200 . 2.200 4.436 4.162 4.709 2.509 4 20 [***+***********-****] 3
57 1 71 SER O 1 76 PRO N 3.200 2.200 3.200 5.260 4.696 6.369 3.169 12 20 [**********-+********] 3
58 1 72 GLU O 1 77 MET N 3.200 2.200 3.200 5.847 5.498 6.161 2.961 5 20 [****+*********-*****] 3
59 1 72 GLU O 1 77 MET H 2.200 . 2.200 5.032 4.558 5.557 3.357 5 20 [****+*********-*****] 3
60 1 73 VAL O 1 78 SER N 3.200 2.200 3.200 5.021 4.758 5.448 2.248 5 20 [****+***-***********] 3
61 1 73 VAL O 1 78 SER H 2.200 . 2.200 4.396 4.111 4.778 2.578 5 20 [****+***********-***] 3
62 1 82 PRO O 1 87 CYS N 3.200 2.200 3.200 5.580 5.168 6.345 3.145 10 20 [*********+*-********] 3
63 1 82 PRO O 1 87 CYS H 2.200 . 2.200 4.878 4.472 5.559 3.359 10 20 [*********+*-********] 3
64 1 83 ALA O 1 88 GLU N 3.200 2.200 3.200 5.582 5.080 6.269 3.069 19 20 [**************-***+*] 3
65 1 83 ALA O 1 88 GLU H 2.200 . 2.200 4.798 4.236 5.517 3.317 19 20 [**************-***+*] 3
66 1 84 MET O 1 89 LYS N 3.200 2.200 3.200 6.078 5.469 6.341 3.141 8 20 [*******+******-*****] 3
67 1 84 MET O 1 89 LYS H 2.200 . 2.200 5.289 4.789 5.559 3.359 16 20 [**************-+****] 3
68 1 85 LYS O 1 90 LEU N 3.200 2.200 3.200 5.027 4.741 5.346 2.146 16 20 [***************+*-**] 3
69 1 85 LYS O 1 90 LEU H 2.200 . 2.200 4.270 3.930 4.606 2.406 16 20 [***************+*-**] 3
70 1 86 ILE O 1 91 LYS N 3.200 2.200 3.200 5.156 4.801 5.395 2.195 15 20 [****-*********+*****] 3
71 1 86 ILE O 1 91 LYS H 2.200 . 2.200 4.500 4.216 4.857 2.657 4 20 [***+-***************] 3
72 1 87 CYS O 1 92 LYS N 3.200 2.200 3.200 5.762 4.785 6.709 3.509 5 20 [****+*****-*********] 3
73 1 87 CYS O 1 92 LYS H 2.200 . 2.200 5.141 4.071 6.189 3.989 5 20 [****+*****-*********] 3
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