Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
538374 | 2li6 RC | 17880 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2li6
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 947
_Distance_constraint_stats_list.Viol_count 1332
_Distance_constraint_stats_list.Viol_total 880.876
_Distance_constraint_stats_list.Viol_max 0.428
_Distance_constraint_stats_list.Viol_rms 0.0149
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0023
_Distance_constraint_stats_list.Viol_average_violations_only 0.0331
_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 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 SER 1.791 0.304 4 0 "[ . 1 . 2]"
1 3 LEU 1.791 0.304 4 0 "[ . 1 . 2]"
1 4 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 PRO 0.058 0.027 18 0 "[ . 1 . 2]"
1 6 ALA 0.105 0.052 14 0 "[ . 1 . 2]"
1 7 LEU 0.077 0.016 18 0 "[ . 1 . 2]"
1 8 GLN 0.119 0.028 18 0 "[ . 1 . 2]"
1 9 GLU 0.031 0.015 7 0 "[ . 1 . 2]"
1 10 LYS 0.023 0.021 18 0 "[ . 1 . 2]"
1 11 ILE 0.267 0.058 19 0 "[ . 1 . 2]"
1 12 SER 0.647 0.079 19 0 "[ . 1 . 2]"
1 13 THR 0.610 0.058 19 0 "[ . 1 . 2]"
1 14 GLU 0.524 0.082 4 0 "[ . 1 . 2]"
1 15 LEU 0.559 0.065 5 0 "[ . 1 . 2]"
1 16 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ASN 0.070 0.013 4 0 "[ . 1 . 2]"
1 18 LYS 0.917 0.082 4 0 "[ . 1 . 2]"
1 19 GLN 0.035 0.017 13 0 "[ . 1 . 2]"
1 20 TYR 0.188 0.039 12 0 "[ . 1 . 2]"
1 21 GLU 0.291 0.037 9 0 "[ . 1 . 2]"
1 22 LEU 1.173 0.083 18 0 "[ . 1 . 2]"
1 23 PHE 1.533 0.090 18 0 "[ . 1 . 2]"
1 24 MET 0.766 0.049 5 0 "[ . 1 . 2]"
1 25 LYS 2.866 0.106 15 0 "[ . 1 . 2]"
1 26 SER 3.699 0.428 11 0 "[ . 1 . 2]"
1 27 LEU 1.147 0.096 10 0 "[ . 1 . 2]"
1 28 ILE 3.319 0.428 11 0 "[ . 1 . 2]"
1 29 GLU 0.556 0.066 6 0 "[ . 1 . 2]"
1 30 ASN 0.776 0.064 13 0 "[ . 1 . 2]"
1 31 CYS 0.470 0.056 5 0 "[ . 1 . 2]"
1 32 LYS 2.288 0.107 5 0 "[ . 1 . 2]"
1 33 LYS 0.159 0.046 5 0 "[ . 1 . 2]"
1 34 ARG 0.008 0.008 7 0 "[ . 1 . 2]"
1 35 ASN 0.105 0.029 6 0 "[ . 1 . 2]"
1 36 MET 0.093 0.040 5 0 "[ . 1 . 2]"
1 37 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LEU 0.064 0.046 5 0 "[ . 1 . 2]"
1 39 GLN 0.433 0.102 5 0 "[ . 1 . 2]"
1 40 SER 0.190 0.063 3 0 "[ . 1 . 2]"
1 41 ILE 0.460 0.102 5 0 "[ . 1 . 2]"
1 42 PRO 0.223 0.063 3 0 "[ . 1 . 2]"
1 43 GLU 1.027 0.089 20 0 "[ . 1 . 2]"
1 44 ILE 1.909 0.192 14 0 "[ . 1 . 2]"
1 45 GLY 1.982 0.181 16 0 "[ . 1 . 2]"
1 46 ASN 1.660 0.094 14 0 "[ . 1 . 2]"
1 47 ARG 1.338 0.114 20 0 "[ . 1 . 2]"
1 48 LYS 3.600 0.219 15 0 "[ . 1 . 2]"
1 49 ILE 1.302 0.110 17 0 "[ . 1 . 2]"
1 50 ASN 3.358 0.219 15 0 "[ . 1 . 2]"
1 51 LEU 0.765 0.098 12 0 "[ . 1 . 2]"
1 52 PHE 0.039 0.013 11 0 "[ . 1 . 2]"
1 53 TYR 0.570 0.098 12 0 "[ . 1 . 2]"
1 54 LEU 0.291 0.054 12 0 "[ . 1 . 2]"
1 55 TYR 0.026 0.007 10 0 "[ . 1 . 2]"
1 56 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 LEU 0.049 0.010 17 0 "[ . 1 . 2]"
1 58 VAL 0.282 0.021 17 0 "[ . 1 . 2]"
1 59 GLN 0.089 0.012 2 0 "[ . 1 . 2]"
1 60 LYS 0.004 0.004 12 0 "[ . 1 . 2]"
1 61 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLY 1.358 0.085 2 0 "[ . 1 . 2]"
1 63 GLY 0.296 0.021 17 0 "[ . 1 . 2]"
1 64 ALA 0.156 0.042 10 0 "[ . 1 . 2]"
1 65 ASP 0.772 0.157 10 0 "[ . 1 . 2]"
1 66 GLN 1.979 0.196 10 0 "[ . 1 . 2]"
1 67 VAL 0.486 0.070 10 0 "[ . 1 . 2]"
1 68 THR 0.525 0.092 10 0 "[ . 1 . 2]"
1 69 ARG 1.132 0.196 10 0 "[ . 1 . 2]"
1 70 THR 0.289 0.070 10 0 "[ . 1 . 2]"
1 71 GLN 0.166 0.030 17 0 "[ . 1 . 2]"
1 72 GLN 0.397 0.052 20 0 "[ . 1 . 2]"
1 73 TRP 0.542 0.118 11 0 "[ . 1 . 2]"
1 74 SER 0.424 0.051 20 0 "[ . 1 . 2]"
1 75 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 VAL 0.131 0.035 16 0 "[ . 1 . 2]"
1 77 ALA 1.362 0.118 11 0 "[ . 1 . 2]"
1 78 GLN 0.030 0.012 10 0 "[ . 1 . 2]"
1 79 ARG 0.249 0.088 12 0 "[ . 1 . 2]"
1 80 LEU 2.004 0.104 12 0 "[ . 1 . 2]"
1 81 GLN 0.144 0.080 14 0 "[ . 1 . 2]"
1 82 ILE 0.771 0.057 16 0 "[ . 1 . 2]"
1 83 SER 1.546 0.105 9 0 "[ . 1 . 2]"
1 84 ASP 1.525 0.091 7 0 "[ . 1 . 2]"
1 85 TYR 0.831 0.051 20 0 "[ . 1 . 2]"
1 86 GLN 0.762 0.062 12 0 "[ . 1 . 2]"
1 87 GLN 0.697 0.091 7 0 "[ . 1 . 2]"
1 88 LEU 0.474 0.081 16 0 "[ . 1 . 2]"
1 89 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 SER 0.571 0.050 9 0 "[ . 1 . 2]"
1 91 ILE 4.077 0.175 16 0 "[ . 1 . 2]"
1 92 TYR 1.893 0.105 9 0 "[ . 1 . 2]"
1 93 PHE 0.325 0.059 2 0 "[ . 1 . 2]"
1 94 ARG 0.163 0.038 15 0 "[ . 1 . 2]"
1 95 ILE 4.031 0.175 16 0 "[ . 1 . 2]"
1 96 LEU 0.070 0.027 19 0 "[ . 1 . 2]"
1 97 LEU 2.375 0.107 5 0 "[ . 1 . 2]"
1 98 PRO 0.019 0.019 15 0 "[ . 1 . 2]"
1 99 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 GLU 0.576 0.100 7 0 "[ . 1 . 2]"
1 101 ARG 0.974 0.092 9 0 "[ . 1 . 2]"
1 102 HIS 0.092 0.037 4 0 "[ . 1 . 2]"
1 103 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 ILE 0.256 0.039 20 0 "[ . 1 . 2]"
1 105 SER 0.184 0.033 18 0 "[ . 1 . 2]"
1 106 GLN 0.147 0.037 4 0 "[ . 1 . 2]"
1 107 GLU 0.003 0.002 20 0 "[ . 1 . 2]"
1 108 GLY 0.160 0.021 20 0 "[ . 1 . 2]"
1 109 ILE 0.251 0.071 20 0 "[ . 1 . 2]"
1 110 LYS 0.046 0.014 13 0 "[ . 1 . 2]"
1 111 GLU 0.028 0.021 20 0 "[ . 1 . 2]"
1 112 THR 0.171 0.071 20 0 "[ . 1 . 2]"
1 113 GLN 2.821 0.141 12 0 "[ . 1 . 2]"
1 114 ALA 2.812 0.141 12 0 "[ . 1 . 2]"
1 115 LYS 0.001 0.001 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 1 GLN HA 1 2 SER H 1.800 . 3.000 2.268 2.139 2.578 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLN QB 1 2 SER H 1.800 . 5.000 3.353 2.228 3.906 . 0 0 "[ . 1 . 2]" 1
3 1 1 GLN QG 1 2 SER H 1.800 . 5.500 3.759 2.198 4.519 . 0 0 "[ . 1 . 2]" 1
4 1 2 SER HA 1 3 LEU H 1.800 . 3.000 2.601 2.150 2.964 . 0 0 "[ . 1 . 2]" 1
5 1 2 SER QB 1 3 LEU H 1.800 . 5.000 3.347 1.962 4.039 . 0 0 "[ . 1 . 2]" 1
6 1 2 SER H 1 3 LEU H 1.800 . 4.000 3.449 2.391 4.304 0.304 4 0 "[ . 1 . 2]" 1
7 1 3 LEU H 1 3 LEU QB 1.800 . 4.500 2.974 2.032 3.455 . 0 0 "[ . 1 . 2]" 1
8 1 3 LEU H 1 3 LEU QD 1.800 . 6.000 2.939 1.941 4.185 . 0 0 "[ . 1 . 2]" 1
9 1 3 LEU QB 1 4 ASN H 1.800 . 5.000 2.466 1.915 3.446 . 0 0 "[ . 1 . 2]" 1
10 1 3 LEU QD 1 4 ASN H 1.800 . 6.000 3.252 1.954 4.274 . 0 0 "[ . 1 . 2]" 1
11 1 4 ASN H 1 5 PRO HA 1.800 . 6.000 5.724 5.405 5.826 . 0 0 "[ . 1 . 2]" 1
12 1 4 ASN H 1 40 SER QB 1.800 . 6.000 4.804 3.471 5.683 . 0 0 "[ . 1 . 2]" 1
13 1 5 PRO QB 1 7 LEU HB2 1.800 . 4.000 2.386 2.249 2.576 . 0 0 "[ . 1 . 2]" 1
14 1 5 PRO QB 1 7 LEU HB3 1.800 . 5.000 3.803 3.296 4.174 . 0 0 "[ . 1 . 2]" 1
15 1 5 PRO QD 1 9 GLU QG 1.800 . 6.500 4.222 3.071 5.574 . 0 0 "[ . 1 . 2]" 1
16 1 5 PRO QD 1 39 GLN QB 1.800 . 6.500 5.364 4.388 5.769 . 0 0 "[ . 1 . 2]" 1
17 1 5 PRO QD 1 42 PRO HA 1.800 . 5.000 4.757 4.272 5.027 0.027 18 0 "[ . 1 . 2]" 1
18 1 4 ASN QB 1 6 ALA H 1.800 . 4.500 2.475 2.360 3.085 . 0 0 "[ . 1 . 2]" 1
19 1 5 PRO QB 1 6 ALA H 1.800 . 4.500 3.257 3.240 3.307 . 0 0 "[ . 1 . 2]" 1
20 1 5 PRO QD 1 6 ALA H 1.800 . 4.500 2.606 2.604 2.615 . 0 0 "[ . 1 . 2]" 1
21 1 6 ALA H 1 6 ALA HA 1.800 . 3.000 2.279 2.276 2.281 . 0 0 "[ . 1 . 2]" 1
22 1 6 ALA H 1 6 ALA MB 1.800 . 3.000 2.828 2.781 2.865 . 0 0 "[ . 1 . 2]" 1
23 1 6 ALA H 1 7 LEU H 1.800 . 3.000 2.739 2.671 2.774 . 0 0 "[ . 1 . 2]" 1
24 1 6 ALA H 1 8 GLN H 1.800 . 4.500 4.299 3.999 4.430 . 0 0 "[ . 1 . 2]" 1
25 1 6 ALA H 1 43 GLU HB3 1.800 . 6.000 5.934 5.554 6.052 0.052 14 0 "[ . 1 . 2]" 1
26 1 6 ALA HA 1 9 GLU QG 1.800 . 3.000 2.116 1.935 3.000 . 14 0 "[ . 1 . 2]" 1
27 1 5 PRO HB2 1 6 ALA MB 1.800 . 6.000 4.664 4.611 4.705 . 0 0 "[ . 1 . 2]" 1
28 1 5 PRO HB3 1 6 ALA MB 1.800 . 6.000 5.474 5.441 5.507 . 0 0 "[ . 1 . 2]" 1
29 1 6 ALA MB 1 7 LEU QB 1.800 . 6.000 4.630 4.382 4.880 . 0 0 "[ . 1 . 2]" 1
30 1 5 PRO QB 1 7 LEU H 1.800 . 4.500 2.544 2.455 2.818 . 0 0 "[ . 1 . 2]" 1
31 1 6 ALA HA 1 7 LEU H 1.800 . 3.000 2.952 2.834 3.008 0.008 7 0 "[ . 1 . 2]" 1
32 1 6 ALA MB 1 7 LEU H 1.800 . 5.000 3.610 3.572 3.670 . 0 0 "[ . 1 . 2]" 1
33 1 7 LEU H 1 7 LEU QB 1.800 . 3.000 2.281 2.184 2.401 . 0 0 "[ . 1 . 2]" 1
34 1 7 LEU H 1 8 GLN QB 1.800 . 6.000 4.544 4.345 4.778 . 0 0 "[ . 1 . 2]" 1
35 1 7 LEU H 1 44 ILE HA 1.800 . 6.000 5.975 5.840 6.016 0.016 18 0 "[ . 1 . 2]" 1
36 1 5 PRO QG 1 8 GLN H 1.800 . 4.500 3.293 3.068 3.577 . 0 0 "[ . 1 . 2]" 1
37 1 5 PRO QD 1 8 GLN H 1.800 . 6.000 5.164 4.888 5.343 . 0 0 "[ . 1 . 2]" 1
38 1 6 ALA HA 1 8 GLN H 1.800 . 4.500 4.223 3.771 4.413 . 0 0 "[ . 1 . 2]" 1
39 1 7 LEU HA 1 8 GLN H 1.800 . 4.000 3.531 3.461 3.548 . 0 0 "[ . 1 . 2]" 1
40 1 8 GLN H 1 8 GLN HA 1.800 . 3.000 2.922 2.885 2.947 . 0 0 "[ . 1 . 2]" 1
41 1 8 GLN H 1 8 GLN QB 1.800 . 3.000 2.678 2.525 2.804 . 0 0 "[ . 1 . 2]" 1
42 1 8 GLN QB 1 44 ILE HA 1.800 . 4.500 3.381 3.118 3.774 . 0 0 "[ . 1 . 2]" 1
43 1 5 PRO HG2 1 9 GLU H 1.800 . 6.000 4.859 3.914 5.422 . 0 0 "[ . 1 . 2]" 1
44 1 6 ALA H 1 9 GLU H 1.800 . 5.500 4.889 4.051 5.417 . 0 0 "[ . 1 . 2]" 1
45 1 7 LEU H 1 9 GLU H 1.800 . 4.000 3.736 3.202 4.004 0.004 19 0 "[ . 1 . 2]" 1
46 1 8 GLN HA 1 9 GLU H 1.800 . 5.300 2.719 2.592 2.952 . 0 0 "[ . 1 . 2]" 1
47 1 9 GLU HA 1 10 LYS H 1.800 . 5.800 2.698 2.503 2.964 . 0 0 "[ . 1 . 2]" 1
48 1 8 GLN HA 1 10 LYS H 1.800 . 4.000 3.603 3.181 4.021 0.021 18 0 "[ . 1 . 2]" 1
49 1 10 LYS H 1 46 ASN HA 1.800 . 5.000 3.293 2.206 3.880 . 0 0 "[ . 1 . 2]" 1
50 1 10 LYS H 1 45 GLY QA 1.800 . 6.500 5.526 4.721 6.246 . 0 0 "[ . 1 . 2]" 1
51 1 11 ILE H 1 11 ILE HB 1.800 . 3.800 2.858 2.445 3.563 . 0 0 "[ . 1 . 2]" 1
52 1 11 ILE H 1 11 ILE MD 1.800 . 4.300 4.219 3.993 4.346 0.046 20 0 "[ . 1 . 2]" 1
53 1 11 ILE H 1 11 ILE QG 1.800 . 4.800 4.113 3.962 4.331 . 0 0 "[ . 1 . 2]" 1
54 1 11 ILE H 1 47 ARG QD 1.800 . 5.500 4.779 3.620 5.514 0.014 6 0 "[ . 1 . 2]" 1
55 1 11 ILE HA 1 12 SER H 1.800 . 4.800 2.199 2.156 2.326 . 0 0 "[ . 1 . 2]" 1
56 1 11 ILE MD 1 12 SER H 1.800 . 4.800 2.516 1.915 3.691 . 0 0 "[ . 1 . 2]" 1
57 1 12 SER H 1 21 GLU QB 1.800 . 6.000 4.266 3.695 4.711 . 0 0 "[ . 1 . 2]" 1
58 1 12 SER H 1 22 LEU H 1.800 . 6.000 5.928 5.597 6.027 0.027 7 0 "[ . 1 . 2]" 1
59 1 11 ILE MD 1 12 SER HA 1.800 . 6.000 4.081 3.404 5.074 . 0 0 "[ . 1 . 2]" 1
60 1 11 ILE QG 1 13 THR H 1.800 . 6.000 5.613 5.115 5.810 . 0 0 "[ . 1 . 2]" 1
61 1 11 ILE MD 1 13 THR H 1.800 . 6.500 5.739 5.114 6.558 0.058 19 0 "[ . 1 . 2]" 1
62 1 12 SER HA 1 13 THR H 1.800 . 3.000 2.176 2.137 2.321 . 0 0 "[ . 1 . 2]" 1
63 1 13 THR H 1 14 GLU HA 1.800 . 5.000 4.855 4.424 5.043 0.043 18 0 "[ . 1 . 2]" 1
64 1 13 THR H 1 15 LEU H 1.800 . 3.500 2.868 2.416 3.523 0.023 13 0 "[ . 1 . 2]" 1
65 1 13 THR H 1 17 ASN QB 1.800 . 6.000 3.998 3.451 5.323 . 0 0 "[ . 1 . 2]" 1
66 1 13 THR H 1 21 GLU HB2 1.800 . 6.000 5.665 5.403 6.023 0.023 3 0 "[ . 1 . 2]" 1
67 1 13 THR H 1 21 GLU HB3 1.800 . 6.500 6.380 5.510 6.537 0.037 9 0 "[ . 1 . 2]" 1
68 1 15 LEU H 1 17 ASN QB 1.800 . 6.500 4.801 4.521 5.529 . 0 0 "[ . 1 . 2]" 1
69 1 15 LEU H 1 18 LYS QB 1.800 . 4.000 3.142 2.746 3.342 . 0 0 "[ . 1 . 2]" 1
70 1 15 LEU H 1 18 LYS QG 1.800 . 6.000 3.964 3.183 4.634 . 0 0 "[ . 1 . 2]" 1
71 1 15 LEU H 1 19 GLN H 1.800 . 6.000 5.910 5.499 6.009 0.009 18 0 "[ . 1 . 2]" 1
72 1 15 LEU HA 1 18 LYS QB 1.800 . 3.500 2.802 2.584 3.109 . 0 0 "[ . 1 . 2]" 1
73 1 15 LEU HA 1 16 ASN H 1.800 . 4.000 3.378 3.347 3.454 . 0 0 "[ . 1 . 2]" 1
74 1 15 LEU QD 1 16 ASN H 1.800 . 5.000 4.310 3.851 4.455 . 0 0 "[ . 1 . 2]" 1
75 1 16 ASN H 1 17 ASN HA 1.800 . 5.000 4.946 4.940 4.952 . 0 0 "[ . 1 . 2]" 1
76 1 16 ASN H 1 17 ASN QB 1.800 . 6.000 4.438 4.167 4.730 . 0 0 "[ . 1 . 2]" 1
77 1 15 LEU QD 1 16 ASN HA 1.800 . 6.500 4.519 3.650 4.999 . 0 0 "[ . 1 . 2]" 1
78 1 15 LEU H 1 17 ASN H 1.800 . 4.000 3.807 3.768 3.838 . 0 0 "[ . 1 . 2]" 1
79 1 16 ASN HA 1 17 ASN H 1.800 . 4.000 3.549 3.547 3.553 . 0 0 "[ . 1 . 2]" 1
80 1 16 ASN QB 1 17 ASN H 1.800 . 4.000 2.569 2.446 2.648 . 0 0 "[ . 1 . 2]" 1
81 1 17 ASN HA 1 20 TYR QB 1.800 . 4.500 2.989 2.834 3.246 . 0 0 "[ . 1 . 2]" 1
82 1 14 GLU QG 1 17 ASN QB 1.800 . 6.500 5.211 3.751 6.367 . 0 0 "[ . 1 . 2]" 1
83 1 17 ASN QB 1 21 GLU HA 1.800 . 6.500 5.456 5.330 5.734 . 0 0 "[ . 1 . 2]" 1
84 1 17 ASN QB 1 21 GLU HB2 1.800 . 5.500 4.002 3.584 4.861 . 0 0 "[ . 1 . 2]" 1
85 1 17 ASN QB 1 21 GLU HB3 1.800 . 5.500 5.165 4.275 5.511 0.011 18 0 "[ . 1 . 2]" 1
86 1 14 GLU QB 1 18 LYS H 1.800 . 5.000 4.656 3.550 5.003 0.003 18 0 "[ . 1 . 2]" 1
87 1 15 LEU H 1 18 LYS H 1.800 . 3.500 3.474 3.184 3.565 0.065 5 0 "[ . 1 . 2]" 1
88 1 16 ASN H 1 18 LYS H 1.800 . 3.500 3.341 3.298 3.374 . 0 0 "[ . 1 . 2]" 1
89 1 16 ASN QB 1 18 LYS H 1.800 . 5.000 4.369 4.338 4.399 . 0 0 "[ . 1 . 2]" 1
90 1 17 ASN HA 1 18 LYS H 1.800 . 5.000 3.424 3.411 3.442 . 0 0 "[ . 1 . 2]" 1
91 1 18 LYS H 1 19 GLN HA 1.800 . 5.500 5.356 5.331 5.381 . 0 0 "[ . 1 . 2]" 1
92 1 18 LYS H 1 19 GLN QB 1.800 . 6.500 4.545 4.444 4.886 . 0 0 "[ . 1 . 2]" 1
93 1 18 LYS H 1 20 TYR H 1.800 . 4.500 4.436 4.403 4.515 0.015 19 0 "[ . 1 . 2]" 1
94 1 18 LYS H 1 21 GLU H 1.800 . 5.000 4.786 4.735 4.904 . 0 0 "[ . 1 . 2]" 1
95 1 18 LYS H 1 21 GLU QB 1.800 . 6.000 4.615 4.473 4.982 . 0 0 "[ . 1 . 2]" 1
96 1 18 LYS HA 1 19 GLN QB 1.800 . 6.500 5.253 5.174 5.471 . 0 0 "[ . 1 . 2]" 1
97 1 14 GLU QB 1 18 LYS QG 1.800 . 6.500 5.938 4.753 6.582 0.082 4 0 "[ . 1 . 2]" 1
98 1 15 LEU HA 1 18 LYS QG 1.800 . 5.500 2.694 1.981 4.275 . 0 0 "[ . 1 . 2]" 1
99 1 12 SER HA 1 19 GLN H 1.800 . 6.000 5.655 5.319 6.017 0.017 13 0 "[ . 1 . 2]" 1
100 1 16 ASN QB 1 19 GLN H 1.800 . 6.500 5.301 5.187 5.479 . 0 0 "[ . 1 . 2]" 1
101 1 17 ASN HA 1 19 GLN H 1.800 . 4.000 3.745 3.608 3.869 . 0 0 "[ . 1 . 2]" 1
102 1 17 ASN QB 1 19 GLN H 1.800 . 5.500 4.708 4.595 4.975 . 0 0 "[ . 1 . 2]" 1
103 1 19 GLN H 1 20 TYR H 1.800 . 4.800 2.663 2.580 2.734 . 0 0 "[ . 1 . 2]" 1
104 1 19 GLN H 1 22 LEU QB 1.800 . 6.000 4.708 4.612 4.849 . 0 0 "[ . 1 . 2]" 1
105 1 19 GLN HA 1 22 LEU MD1 1.800 . 6.500 4.411 3.025 5.377 . 0 0 "[ . 1 . 2]" 1
106 1 18 LYS QB 1 19 GLN QG 1.800 . 6.000 4.826 3.320 5.831 . 0 0 "[ . 1 . 2]" 1
107 1 19 GLN QG 1 22 LEU MD1 1.800 . 6.500 5.191 3.782 6.137 . 0 0 "[ . 1 . 2]" 1
108 1 17 ASN HA 1 20 TYR H 1.800 . 3.500 3.176 3.101 3.288 . 0 0 "[ . 1 . 2]" 1
109 1 18 LYS QD 1 20 TYR H 1.800 . 5.500 5.042 4.781 5.471 . 0 0 "[ . 1 . 2]" 1
110 1 18 LYS QE 1 20 TYR H 1.800 . 6.500 6.072 4.426 6.520 0.020 4 0 "[ . 1 . 2]" 1
111 1 19 GLN QB 1 20 TYR H 1.800 . 4.500 2.545 2.461 2.622 . 0 0 "[ . 1 . 2]" 1
112 1 20 TYR H 1 21 GLU QB 1.800 . 6.000 4.391 4.261 4.703 . 0 0 "[ . 1 . 2]" 1
113 1 20 TYR H 1 23 PHE HB2 1.800 . 5.000 4.729 4.506 5.039 0.039 12 0 "[ . 1 . 2]" 1
114 1 20 TYR H 1 24 MET H 1.800 . 6.500 6.294 6.111 6.474 . 0 0 "[ . 1 . 2]" 1
115 1 11 ILE QG 1 21 GLU QB 1.800 . 6.500 5.082 3.960 5.605 . 0 0 "[ . 1 . 2]" 1
116 1 21 GLU QB 1 23 PHE QB 1.800 . 6.500 5.522 5.468 5.589 . 0 0 "[ . 1 . 2]" 1
117 1 11 ILE QG 1 22 LEU H 1.800 . 6.000 5.769 4.766 6.014 0.014 3 0 "[ . 1 . 2]" 1
118 1 11 ILE MD 1 22 LEU H 1.800 . 5.500 4.523 3.460 5.242 . 0 0 "[ . 1 . 2]" 1
119 1 12 SER HA 1 22 LEU H 1.800 . 6.000 6.023 5.967 6.079 0.079 19 0 "[ . 1 . 2]" 1
120 1 19 GLN HA 1 22 LEU H 1.800 . 4.000 3.844 3.752 3.897 . 0 0 "[ . 1 . 2]" 1
121 1 19 GLN QG 1 22 LEU H 1.800 . 6.500 5.545 5.364 5.739 . 0 0 "[ . 1 . 2]" 1
122 1 19 GLN H 1 22 LEU H 1.800 . 5.000 4.609 4.565 4.699 . 0 0 "[ . 1 . 2]" 1
123 1 21 GLU HA 1 22 LEU H 1.800 . 4.000 3.549 3.548 3.551 . 0 0 "[ . 1 . 2]" 1
124 1 22 LEU H 1 23 PHE QB 1.800 . 6.000 4.269 4.206 4.374 . 0 0 "[ . 1 . 2]" 1
125 1 22 LEU H 1 24 MET QB 1.800 . 6.000 5.534 5.430 5.674 . 0 0 "[ . 1 . 2]" 1
126 1 22 LEU H 1 25 LYS QB 1.800 . 5.000 4.311 4.244 4.406 . 0 0 "[ . 1 . 2]" 1
127 1 22 LEU HA 1 25 LYS QE 1.800 . 4.000 2.983 2.227 3.932 . 0 0 "[ . 1 . 2]" 1
128 1 18 LYS QG 1 22 LEU QB 1.800 . 5.000 4.334 2.591 5.008 0.008 1 0 "[ . 1 . 2]" 1
129 1 18 LYS QE 1 22 LEU MD1 1.800 . 4.000 3.253 1.939 4.002 0.002 18 0 "[ . 1 . 2]" 1
130 1 22 LEU MD2 1 23 PHE HA 1.800 . 5.500 3.306 2.584 5.515 0.015 1 0 "[ . 1 . 2]" 1
131 1 22 LEU MD1 1 25 LYS QB 1.800 . 6.500 4.411 3.379 5.140 . 0 0 "[ . 1 . 2]" 1
132 1 22 LEU MD2 1 25 LYS QE 1.800 . 6.500 4.144 2.720 5.177 . 0 0 "[ . 1 . 2]" 1
133 1 20 TYR HB3 1 23 PHE H 1.800 . 5.500 5.294 5.238 5.420 . 0 0 "[ . 1 . 2]" 1
134 1 23 PHE H 1 50 ASN HB2 1.800 . 6.500 5.947 5.675 6.081 . 0 0 "[ . 1 . 2]" 1
135 1 22 LEU MD1 1 23 PHE HA 1.800 . 6.500 5.512 5.282 5.780 . 0 0 "[ . 1 . 2]" 1
136 1 21 GLU QB 1 24 MET H 1.800 . 6.000 5.168 5.006 5.308 . 0 0 "[ . 1 . 2]" 1
137 1 22 LEU HA 1 24 MET H 1.800 . 4.500 4.489 4.327 4.526 0.026 2 0 "[ . 1 . 2]" 1
138 1 22 LEU QB 1 24 MET H 1.800 . 6.000 4.999 4.918 5.059 . 0 0 "[ . 1 . 2]" 1
139 1 22 LEU MD2 1 24 MET H 1.800 . 6.000 5.324 4.910 6.005 0.005 1 0 "[ . 1 . 2]" 1
140 1 23 PHE HA 1 24 MET H 1.800 . 4.000 3.557 3.543 3.561 . 0 0 "[ . 1 . 2]" 1
141 1 23 PHE QB 1 24 MET H 1.800 . 5.000 2.524 2.380 2.667 . 0 0 "[ . 1 . 2]" 1
142 1 24 MET H 1 25 LYS H 1.800 . 3.500 2.434 2.374 2.511 . 0 0 "[ . 1 . 2]" 1
143 1 24 MET H 1 26 SER H 1.800 . 4.500 4.189 4.017 4.331 . 0 0 "[ . 1 . 2]" 1
144 1 24 MET H 1 27 LEU H 1.800 . 5.000 4.762 4.608 4.849 . 0 0 "[ . 1 . 2]" 1
145 1 24 MET H 1 49 ILE HB 1.800 . 6.500 6.343 5.622 6.547 0.047 12 0 "[ . 1 . 2]" 1
146 1 24 MET H 1 50 ASN HB2 1.800 . 4.500 4.431 4.250 4.516 0.016 7 0 "[ . 1 . 2]" 1
147 1 24 MET H 1 50 ASN HB3 1.800 . 6.000 6.009 5.918 6.049 0.049 5 0 "[ . 1 . 2]" 1
148 1 22 LEU HA 1 25 LYS H 1.800 . 3.500 3.296 3.211 3.367 . 0 0 "[ . 1 . 2]" 1
149 1 22 LEU QB 1 25 LYS H 1.800 . 6.000 4.895 4.778 4.938 . 0 0 "[ . 1 . 2]" 1
150 1 22 LEU MD2 1 25 LYS H 1.800 . 6.500 5.144 4.693 5.937 . 0 0 "[ . 1 . 2]" 1
151 1 23 PHE HA 1 25 LYS H 1.800 . 4.500 4.542 4.446 4.587 0.087 15 0 "[ . 1 . 2]" 1
152 1 23 PHE QB 1 25 LYS H 1.800 . 5.000 4.478 4.396 4.559 . 0 0 "[ . 1 . 2]" 1
153 1 23 PHE H 1 25 LYS H 1.800 . 4.000 3.912 3.872 3.985 . 0 0 "[ . 1 . 2]" 1
154 1 25 LYS H 1 25 LYS QG 1.800 . 4.000 3.972 3.931 4.024 0.024 19 0 "[ . 1 . 2]" 1
155 1 25 LYS H 1 26 SER H 1.800 . 3.500 2.689 2.609 2.784 . 0 0 "[ . 1 . 2]" 1
156 1 25 LYS H 1 28 ILE H 1.800 . 5.000 4.721 4.595 4.820 . 0 0 "[ . 1 . 2]" 1
157 1 25 LYS H 1 29 GLU H 1.800 . 6.000 5.813 5.657 5.950 . 0 0 "[ . 1 . 2]" 1
158 1 25 LYS H 1 49 ILE HB 1.800 . 5.000 4.886 4.289 5.081 0.081 14 0 "[ . 1 . 2]" 1
159 1 25 LYS H 1 49 ILE MD 1.800 . 6.500 5.348 4.804 6.606 0.106 15 0 "[ . 1 . 2]" 1
160 1 24 MET QB 1 25 LYS HA 1.800 . 6.000 3.829 3.768 3.929 . 0 0 "[ . 1 . 2]" 1
161 1 22 LEU HA 1 26 SER H 1.800 . 3.500 3.484 3.314 3.583 0.083 18 0 "[ . 1 . 2]" 1
162 1 22 LEU QB 1 26 SER H 1.800 . 5.500 4.788 4.227 4.916 . 0 0 "[ . 1 . 2]" 1
163 1 23 PHE HA 1 26 SER H 1.800 . 4.000 3.973 3.902 4.027 0.027 5 0 "[ . 1 . 2]" 1
164 1 23 PHE QB 1 26 SER H 1.800 . 6.000 5.189 5.066 5.305 . 0 0 "[ . 1 . 2]" 1
165 1 25 LYS HA 1 26 SER H 1.800 . 3.500 3.545 3.523 3.559 0.059 6 0 "[ . 1 . 2]" 1
166 1 25 LYS HB2 1 26 SER H 1.800 . 4.500 3.825 3.671 3.999 . 0 0 "[ . 1 . 2]" 1
167 1 25 LYS HB3 1 26 SER H 1.800 . 4.500 2.528 2.395 2.700 . 0 0 "[ . 1 . 2]" 1
168 1 25 LYS QG 1 26 SER H 1.800 . 4.500 3.799 3.131 4.361 . 0 0 "[ . 1 . 2]" 1
169 1 26 SER H 1 27 LEU H 1.800 . 3.500 2.584 2.526 2.707 . 0 0 "[ . 1 . 2]" 1
170 1 26 SER H 1 28 ILE H 1.800 . 4.500 4.300 4.190 4.366 . 0 0 "[ . 1 . 2]" 1
171 1 26 SER H 1 28 ILE QG 1.800 . 6.500 5.936 5.452 6.928 0.428 11 0 "[ . 1 . 2]" 1
172 1 26 SER H 1 29 GLU QB 1.800 . 6.000 5.042 4.552 5.472 . 0 0 "[ . 1 . 2]" 1
173 1 26 SER H 1 29 GLU HG2 1.800 . 6.000 4.905 4.245 6.053 0.053 5 0 "[ . 1 . 2]" 1
174 1 23 PHE HA 1 27 LEU H 1.800 . 4.500 4.448 4.098 4.590 0.090 18 0 "[ . 1 . 2]" 1
175 1 23 PHE QB 1 27 LEU H 1.800 . 6.000 5.383 5.070 5.743 . 0 0 "[ . 1 . 2]" 1
176 1 24 MET HA 1 27 LEU H 1.800 . 3.500 3.416 3.334 3.540 0.040 12 0 "[ . 1 . 2]" 1
177 1 25 LYS HA 1 27 LEU H 1.800 . 4.500 4.379 4.264 4.516 0.016 5 0 "[ . 1 . 2]" 1
178 1 25 LYS QG 1 27 LEU H 1.800 . 6.500 5.340 4.907 5.842 . 0 0 "[ . 1 . 2]" 1
179 1 25 LYS H 1 27 LEU H 1.800 . 4.000 4.011 3.914 4.096 0.096 10 0 "[ . 1 . 2]" 1
180 1 27 LEU H 1 28 ILE HA 1.800 . 5.500 5.256 5.210 5.341 . 0 0 "[ . 1 . 2]" 1
181 1 27 LEU HA 1 28 ILE HA 1.800 . 5.000 4.777 4.750 4.805 . 0 0 "[ . 1 . 2]" 1
182 1 25 LYS HA 1 28 ILE H 1.800 . 4.000 3.699 3.484 3.807 . 0 0 "[ . 1 . 2]" 1
183 1 25 LYS QB 1 28 ILE H 1.800 . 6.000 5.184 5.041 5.263 . 0 0 "[ . 1 . 2]" 1
184 1 25 LYS QG 1 28 ILE H 1.800 . 6.500 5.206 4.909 5.525 . 0 0 "[ . 1 . 2]" 1
185 1 27 LEU H 1 28 ILE H 1.800 . 4.000 2.648 2.582 2.751 . 0 0 "[ . 1 . 2]" 1
186 1 28 ILE H 1 28 ILE QG 1.800 . 4.000 2.757 2.154 4.045 0.045 17 0 "[ . 1 . 2]" 1
187 1 28 ILE H 1 29 GLU HA 1.800 . 5.500 5.315 5.264 5.360 . 0 0 "[ . 1 . 2]" 1
188 1 28 ILE H 1 29 GLU H 1.800 . 4.000 2.717 2.655 2.770 . 0 0 "[ . 1 . 2]" 1
189 1 28 ILE H 1 29 GLU QG 1.800 . 6.500 4.623 3.949 5.840 . 0 0 "[ . 1 . 2]" 1
190 1 28 ILE H 1 100 GLU QB 1.800 . 6.500 6.438 5.982 6.600 0.100 7 0 "[ . 1 . 2]" 1
191 1 25 LYS HA 1 28 ILE HA 1.800 . 6.000 5.729 5.537 5.885 . 0 0 "[ . 1 . 2]" 1
192 1 25 LYS QB 1 29 GLU H 1.800 . 6.000 5.153 4.936 5.315 . 0 0 "[ . 1 . 2]" 1
193 1 27 LEU HA 1 29 GLU H 1.800 . 5.000 4.660 4.442 4.762 . 0 0 "[ . 1 . 2]" 1
194 1 28 ILE HA 1 29 GLU H 1.800 . 4.000 3.552 3.534 3.558 . 0 0 "[ . 1 . 2]" 1
195 1 28 ILE QG 1 29 GLU H 1.800 . 4.000 3.840 3.320 4.066 0.066 6 0 "[ . 1 . 2]" 1
196 1 29 GLU H 1 29 GLU QB 1.800 . 3.500 2.319 2.095 2.457 . 0 0 "[ . 1 . 2]" 1
197 1 29 GLU H 1 29 GLU QG 1.800 . 4.500 2.670 2.175 3.617 . 0 0 "[ . 1 . 2]" 1
198 1 29 GLU H 1 30 ASN H 1.800 . 4.000 2.614 2.580 2.665 . 0 0 "[ . 1 . 2]" 1
199 1 29 GLU H 1 33 LYS QG 1.800 . 6.500 5.976 5.682 6.294 . 0 0 "[ . 1 . 2]" 1
200 1 27 LEU HA 1 30 ASN H 1.800 . 4.000 3.582 3.457 3.696 . 0 0 "[ . 1 . 2]" 1
201 1 27 LEU H 1 30 ASN H 1.800 . 5.000 4.543 4.484 4.747 . 0 0 "[ . 1 . 2]" 1
202 1 28 ILE HA 1 30 ASN H 1.800 . 4.500 4.284 4.201 4.390 . 0 0 "[ . 1 . 2]" 1
203 1 29 GLU HA 1 30 ASN H 1.800 . 6.000 3.507 3.500 3.526 . 0 0 "[ . 1 . 2]" 1
204 1 29 GLU QB 1 30 ASN H 1.800 . 6.000 3.197 2.711 3.502 . 0 0 "[ . 1 . 2]" 1
205 1 30 ASN H 1 30 ASN HB2 1.800 . 4.000 2.434 2.143 2.804 . 0 0 "[ . 1 . 2]" 1
206 1 30 ASN H 1 30 ASN HB3 1.800 . 4.000 2.975 2.317 3.565 . 0 0 "[ . 1 . 2]" 1
207 1 30 ASN H 1 31 CYS H 1.800 . 4.800 2.723 2.612 2.799 . 0 0 "[ . 1 . 2]" 1
208 1 30 ASN H 1 32 LYS H 1.800 . 4.000 4.036 4.013 4.064 0.064 13 0 "[ . 1 . 2]" 1
209 1 30 ASN H 1 33 LYS H 1.800 . 4.500 4.492 4.435 4.530 0.030 19 0 "[ . 1 . 2]" 1
210 1 30 ASN H 1 33 LYS QB 1.800 . 6.000 4.593 4.440 4.672 . 0 0 "[ . 1 . 2]" 1
211 1 27 LEU HA 1 31 CYS H 1.800 . 4.000 3.958 3.769 4.056 0.056 5 0 "[ . 1 . 2]" 1
212 1 27 LEU H 1 31 CYS H 1.800 . 6.000 5.971 5.813 6.056 0.056 5 0 "[ . 1 . 2]" 1
213 1 28 ILE HA 1 31 CYS H 1.800 . 4.000 3.721 3.628 3.828 . 0 0 "[ . 1 . 2]" 1
214 1 28 ILE QG 1 31 CYS H 1.800 . 6.500 5.693 4.978 5.914 . 0 0 "[ . 1 . 2]" 1
215 1 28 ILE H 1 31 CYS H 1.800 . 5.500 4.863 4.736 4.932 . 0 0 "[ . 1 . 2]" 1
216 1 29 GLU HA 1 31 CYS H 1.800 . 5.000 4.822 4.709 4.940 . 0 0 "[ . 1 . 2]" 1
217 1 29 GLU QB 1 31 CYS H 1.800 . 6.000 5.291 4.939 5.510 . 0 0 "[ . 1 . 2]" 1
218 1 29 GLU H 1 31 CYS H 1.800 . 4.500 4.476 4.316 4.525 0.025 4 0 "[ . 1 . 2]" 1
219 1 31 CYS H 1 32 LYS HA 1.800 . 5.500 5.275 5.241 5.354 . 0 0 "[ . 1 . 2]" 1
220 1 31 CYS H 1 33 LYS QB 1.800 . 5.000 4.608 4.495 4.791 . 0 0 "[ . 1 . 2]" 1
221 1 31 CYS H 1 33 LYS QG 1.800 . 6.500 5.826 5.594 6.098 . 0 0 "[ . 1 . 2]" 1
222 1 31 CYS H 1 34 ARG H 1.800 . 5.500 5.253 4.882 5.325 . 0 0 "[ . 1 . 2]" 1
223 1 31 CYS H 1 100 GLU HA 1.800 . 5.500 4.791 4.428 5.385 . 0 0 "[ . 1 . 2]" 1
224 1 31 CYS H 1 100 GLU QB 1.800 . 6.000 5.076 4.469 5.987 . 0 0 "[ . 1 . 2]" 1
225 1 28 ILE MD 1 32 LYS H 1.800 . 6.000 4.529 3.203 5.001 . 0 0 "[ . 1 . 2]" 1
226 1 29 GLU HA 1 32 LYS H 1.800 . 4.000 3.782 3.651 3.939 . 0 0 "[ . 1 . 2]" 1
227 1 29 GLU QB 1 32 LYS H 1.800 . 6.000 5.210 5.046 5.338 . 0 0 "[ . 1 . 2]" 1
228 1 29 GLU QG 1 32 LYS H 1.800 . 6.500 5.695 5.293 6.219 . 0 0 "[ . 1 . 2]" 1
229 1 29 GLU H 1 32 LYS H 1.800 . 5.000 4.714 4.639 4.751 . 0 0 "[ . 1 . 2]" 1
230 1 30 ASN HA 1 32 LYS H 1.800 . 5.000 4.733 4.644 4.790 . 0 0 "[ . 1 . 2]" 1
231 1 31 CYS H 1 32 LYS H 1.800 . 4.000 2.668 2.624 2.762 . 0 0 "[ . 1 . 2]" 1
232 1 32 LYS H 1 33 LYS QB 1.800 . 5.000 4.342 4.265 4.444 . 0 0 "[ . 1 . 2]" 1
233 1 32 LYS H 1 33 LYS H 1.800 . 3.500 2.626 2.563 2.663 . 0 0 "[ . 1 . 2]" 1
234 1 32 LYS H 1 34 ARG H 1.800 . 4.500 4.129 4.009 4.167 . 0 0 "[ . 1 . 2]" 1
235 1 32 LYS H 1 35 ASN QB 1.800 . 6.500 5.798 5.174 6.097 . 0 0 "[ . 1 . 2]" 1
236 1 32 LYS H 1 35 ASN H 1.800 . 6.000 5.597 5.379 5.651 . 0 0 "[ . 1 . 2]" 1
237 1 32 LYS H 1 100 GLU QB 1.800 . 6.000 4.362 3.918 5.098 . 0 0 "[ . 1 . 2]" 1
238 1 31 CYS H 1 33 LYS H 1.800 . 4.000 3.940 3.863 4.025 0.025 19 0 "[ . 1 . 2]" 1
239 1 32 LYS HA 1 33 LYS H 1.800 . 4.000 3.489 3.476 3.514 . 0 0 "[ . 1 . 2]" 1
240 1 33 LYS H 1 34 ARG H 1.800 . 3.500 2.652 2.545 2.675 . 0 0 "[ . 1 . 2]" 1
241 1 33 LYS H 1 35 ASN H 1.800 . 4.500 4.193 4.078 4.216 . 0 0 "[ . 1 . 2]" 1
242 1 29 GLU HA 1 33 LYS QB 1.800 . 5.000 4.645 4.611 4.703 . 0 0 "[ . 1 . 2]" 1
243 1 30 ASN QB 1 33 LYS QB 1.800 . 5.500 4.395 4.078 4.570 . 0 0 "[ . 1 . 2]" 1
244 1 33 LYS QB 1 37 PRO HA 1.800 . 5.500 3.872 3.563 4.799 . 0 0 "[ . 1 . 2]" 1
245 1 32 LYS HA 1 34 ARG H 1.800 . 4.000 3.592 3.538 3.898 . 0 0 "[ . 1 . 2]" 1
246 1 33 LYS HA 1 34 ARG H 1.800 . 3.500 3.418 3.409 3.445 . 0 0 "[ . 1 . 2]" 1
247 1 33 LYS QB 1 34 ARG H 1.800 . 4.000 3.095 3.006 3.118 . 0 0 "[ . 1 . 2]" 1
248 1 34 ARG H 1 35 ASN QB 1.800 . 5.500 4.201 4.019 4.558 . 0 0 "[ . 1 . 2]" 1
249 1 34 ARG H 1 36 MET H 1.800 . 4.500 4.325 4.108 4.508 0.008 7 0 "[ . 1 . 2]" 1
250 1 32 LYS HA 1 35 ASN H 1.800 . 4.000 3.759 3.660 3.803 . 0 0 "[ . 1 . 2]" 1
251 1 33 LYS HA 1 35 ASN H 1.800 . 3.500 3.429 3.402 3.497 . 0 0 "[ . 1 . 2]" 1
252 1 33 LYS QB 1 35 ASN H 1.800 . 5.500 4.436 4.421 4.450 . 0 0 "[ . 1 . 2]" 1
253 1 33 LYS QG 1 35 ASN H 1.800 . 6.000 5.208 5.150 5.335 . 0 0 "[ . 1 . 2]" 1
254 1 34 ARG H 1 35 ASN H 1.800 . 3.500 2.528 2.513 2.544 . 0 0 "[ . 1 . 2]" 1
255 1 35 ASN H 1 35 ASN HB2 1.800 . 4.000 2.731 2.548 3.054 . 0 0 "[ . 1 . 2]" 1
256 1 35 ASN H 1 35 ASN HB3 1.800 . 4.000 3.356 2.669 3.858 . 0 0 "[ . 1 . 2]" 1
257 1 35 ASN H 1 36 MET H 1.800 . 4.000 2.203 1.999 2.385 . 0 0 "[ . 1 . 2]" 1
258 1 32 LYS HA 1 35 ASN HA 1.800 . 6.000 5.908 5.460 6.029 0.029 6 0 "[ . 1 . 2]" 1
259 1 32 LYS HA 1 36 MET H 1.800 . 4.000 3.894 3.757 4.040 0.040 5 0 "[ . 1 . 2]" 1
260 1 33 LYS HA 1 36 MET H 1.800 . 4.000 3.729 3.389 4.005 0.005 15 0 "[ . 1 . 2]" 1
261 1 34 ARG QB 1 36 MET H 1.800 . 6.000 5.245 5.064 5.849 . 0 0 "[ . 1 . 2]" 1
262 1 35 ASN HA 1 36 MET H 1.800 . 4.000 3.566 3.552 3.572 . 0 0 "[ . 1 . 2]" 1
263 1 35 ASN HB2 1 36 MET H 1.800 . 5.000 2.930 2.098 3.679 . 0 0 "[ . 1 . 2]" 1
264 1 35 ASN HB3 1 36 MET H 1.800 . 5.000 2.665 2.026 3.398 . 0 0 "[ . 1 . 2]" 1
265 1 36 MET H 1 37 PRO QB 1.800 . 5.500 4.997 4.640 5.262 . 0 0 "[ . 1 . 2]" 1
266 1 33 LYS HA 1 38 LEU H 1.800 . 5.000 4.247 4.016 4.862 . 0 0 "[ . 1 . 2]" 1
267 1 33 LYS QG 1 38 LEU H 1.800 . 4.000 3.045 2.688 4.046 0.046 5 0 "[ . 1 . 2]" 1
268 1 38 LEU H 1 40 SER H 1.800 . 5.000 4.748 4.054 5.011 0.011 20 0 "[ . 1 . 2]" 1
269 1 38 LEU H 1 42 PRO QG 1.800 . 5.500 4.274 3.354 5.291 . 0 0 "[ . 1 . 2]" 1
270 1 38 LEU HA 1 39 GLN H 1.800 . 4.000 2.818 2.653 3.552 . 0 0 "[ . 1 . 2]" 1
271 1 39 GLN H 1 40 SER QB 1.800 . 5.500 4.854 4.709 5.003 . 0 0 "[ . 1 . 2]" 1
272 1 39 GLN H 1 40 SER H 1.800 . 4.000 2.513 2.434 2.579 . 0 0 "[ . 1 . 2]" 1
273 1 39 GLN HA 1 40 SER H 1.800 . 5.000 3.525 3.463 3.570 . 0 0 "[ . 1 . 2]" 1
274 1 40 SER H 1 42 PRO HA 1.800 . 5.000 4.941 4.826 5.063 0.063 3 0 "[ . 1 . 2]" 1
275 1 40 SER H 1 42 PRO QB 1.800 . 5.500 4.994 4.834 5.051 . 0 0 "[ . 1 . 2]" 1
276 1 40 SER H 1 42 PRO QG 1.800 . 6.500 5.383 5.083 5.505 . 0 0 "[ . 1 . 2]" 1
277 1 5 PRO QD 1 41 ILE H 1.800 . 6.500 6.242 5.304 6.516 0.016 20 0 "[ . 1 . 2]" 1
278 1 39 GLN H 1 41 ILE H 1.800 . 5.000 5.006 4.896 5.102 0.102 5 0 "[ . 1 . 2]" 1
279 1 41 ILE H 1 42 PRO HA 1.800 . 5.000 4.854 4.709 4.980 . 0 0 "[ . 1 . 2]" 1
280 1 41 ILE H 1 42 PRO QG 1.800 . 6.500 5.607 5.464 5.678 . 0 0 "[ . 1 . 2]" 1
281 1 41 ILE H 1 43 GLU H 1.800 . 6.000 5.910 5.832 6.011 0.011 18 0 "[ . 1 . 2]" 1
282 1 39 GLN QB 1 42 PRO HA 1.800 . 6.000 5.688 4.844 6.011 0.011 10 0 "[ . 1 . 2]" 1
283 1 42 PRO HA 1 43 GLU H 1.800 . 4.000 2.174 2.171 2.175 . 0 0 "[ . 1 . 2]" 1
284 1 42 PRO QB 1 43 GLU H 1.800 . 5.300 3.577 3.563 3.582 . 0 0 "[ . 1 . 2]" 1
285 1 43 GLU HA 1 80 LEU HA 1.800 . 6.500 6.436 6.174 6.589 0.089 20 0 "[ . 1 . 2]" 1
286 1 9 GLU HA 1 44 ILE H 1.800 . 5.500 4.581 4.122 5.047 . 0 0 "[ . 1 . 2]" 1
287 1 43 GLU HA 1 44 ILE H 1.800 . 3.000 2.215 2.206 2.220 . 0 0 "[ . 1 . 2]" 1
288 1 44 ILE H 1 45 GLY H 1.800 . 4.000 4.059 3.998 4.181 0.181 16 0 "[ . 1 . 2]" 1
289 1 44 ILE H 1 46 ASN H 1.800 . 4.500 4.186 4.057 4.272 . 0 0 "[ . 1 . 2]" 1
290 1 44 ILE H 1 47 ARG QG 1.800 . 6.000 4.897 4.413 5.375 . 0 0 "[ . 1 . 2]" 1
291 1 44 ILE H 1 47 ARG H 1.800 . 4.000 3.642 3.412 3.786 . 0 0 "[ . 1 . 2]" 1
292 1 44 ILE H 1 48 LYS QB 1.800 . 6.500 6.225 5.525 6.692 0.192 14 0 "[ . 1 . 2]" 1
293 1 44 ILE H 1 48 LYS H 1.800 . 5.500 5.329 4.957 5.549 0.049 14 0 "[ . 1 . 2]" 1
294 1 44 ILE H 1 80 LEU QB 1.800 . 6.500 5.470 5.230 5.754 . 0 0 "[ . 1 . 2]" 1
295 1 8 GLN HA 1 45 GLY H 1.800 . 4.500 4.332 4.084 4.514 0.014 18 0 "[ . 1 . 2]" 1
296 1 45 GLY H 1 46 ASN H 1.800 . 4.500 3.905 3.857 3.974 . 0 0 "[ . 1 . 2]" 1
297 1 45 GLY H 1 80 LEU QB 1.800 . 6.500 6.494 6.252 6.547 0.047 8 0 "[ . 1 . 2]" 1
298 1 8 GLN HA 1 46 ASN H 1.800 . 6.500 6.474 6.241 6.528 0.028 18 0 "[ . 1 . 2]" 1
299 1 8 GLN QB 1 46 ASN H 1.800 . 5.500 4.403 4.108 4.625 . 0 0 "[ . 1 . 2]" 1
300 1 43 GLU HA 1 46 ASN H 1.800 . 6.000 6.029 5.957 6.073 0.073 15 0 "[ . 1 . 2]" 1
301 1 44 ILE HA 1 46 ASN H 1.800 . 5.000 4.959 4.863 5.027 0.027 1 0 "[ . 1 . 2]" 1
302 1 44 ILE MG 1 46 ASN H 1.800 . 6.000 4.804 4.340 5.868 . 0 0 "[ . 1 . 2]" 1
303 1 45 GLY QA 1 46 ASN H 1.800 . 3.500 2.301 2.286 2.318 . 0 0 "[ . 1 . 2]" 1
304 1 46 ASN H 1 46 ASN QB 1.800 . 3.500 3.076 2.977 3.442 . 0 0 "[ . 1 . 2]" 1
305 1 46 ASN H 1 47 ARG QG 1.800 . 5.500 4.619 4.219 5.594 0.094 14 0 "[ . 1 . 2]" 1
306 1 46 ASN H 1 47 ARG H 1.800 . 3.000 2.012 1.820 2.163 . 0 0 "[ . 1 . 2]" 1
307 1 46 ASN H 1 80 LEU HA 1.800 . 4.000 4.041 4.023 4.068 0.068 18 0 "[ . 1 . 2]" 1
308 1 46 ASN H 1 80 LEU QB 1.800 . 5.500 4.649 4.395 5.017 . 0 0 "[ . 1 . 2]" 1
309 1 9 GLU HA 1 47 ARG H 1.800 . 5.000 4.833 4.516 5.015 0.015 7 0 "[ . 1 . 2]" 1
310 1 43 GLU HA 1 47 ARG H 1.800 . 5.000 4.882 4.693 5.052 0.052 12 0 "[ . 1 . 2]" 1
311 1 45 GLY QA 1 47 ARG H 1.800 . 5.500 4.052 3.896 4.181 . 0 0 "[ . 1 . 2]" 1
312 1 45 GLY H 1 47 ARG H 1.800 . 5.000 5.001 4.895 5.114 0.114 20 0 "[ . 1 . 2]" 1
313 1 46 ASN HA 1 47 ARG H 1.800 . 4.800 2.807 2.730 2.913 . 0 0 "[ . 1 . 2]" 1
314 1 47 ARG H 1 48 LYS H 1.800 . 5.000 3.640 3.616 3.705 . 0 0 "[ . 1 . 2]" 1
315 1 47 ARG H 1 80 LEU QB 1.800 . 6.000 5.220 4.909 5.381 . 0 0 "[ . 1 . 2]" 1
316 1 47 ARG HA 1 80 LEU HB2 1.800 . 6.000 5.830 4.824 6.059 0.059 7 0 "[ . 1 . 2]" 1
317 1 47 ARG HA 1 80 LEU HB3 1.800 . 6.000 5.906 5.307 6.104 0.104 12 0 "[ . 1 . 2]" 1
318 1 47 ARG QB 1 49 ILE QG 1.800 . 6.500 5.282 4.200 5.931 . 0 0 "[ . 1 . 2]" 1
319 1 47 ARG QB 1 49 ILE MD 1.800 . 5.000 4.097 3.337 5.110 0.110 17 0 "[ . 1 . 2]" 1
320 1 47 ARG HA 1 48 LYS H 1.800 . 4.300 2.157 2.149 2.161 . 0 0 "[ . 1 . 2]" 1
321 1 48 LYS H 1 50 ASN HA 1.800 . 6.500 6.643 6.598 6.719 0.219 15 0 "[ . 1 . 2]" 1
322 1 48 LYS H 1 50 ASN HB2 1.800 . 6.000 5.822 5.650 5.945 . 0 0 "[ . 1 . 2]" 1
323 1 48 LYS H 1 50 ASN HB3 1.800 . 6.000 5.920 5.756 6.024 0.024 15 0 "[ . 1 . 2]" 1
324 1 48 LYS QE 1 79 ARG QG 1.800 . 4.500 3.517 2.489 4.383 . 0 0 "[ . 1 . 2]" 1
325 1 48 LYS QE 1 80 LEU QB 1.800 . 4.500 3.022 2.029 4.159 . 0 0 "[ . 1 . 2]" 1
326 1 48 LYS HA 1 49 ILE H 1.800 . 3.500 3.125 3.078 3.161 . 0 0 "[ . 1 . 2]" 1
327 1 48 LYS QB 1 49 ILE H 1.800 . 4.500 3.586 3.538 3.635 . 0 0 "[ . 1 . 2]" 1
328 1 49 ILE H 1 49 ILE HB 1.800 . 4.000 2.707 2.639 2.830 . 0 0 "[ . 1 . 2]" 1
329 1 49 ILE H 1 54 LEU H 1.800 . 5.500 5.508 5.423 5.554 0.054 12 0 "[ . 1 . 2]" 1
330 1 48 LYS HA 1 49 ILE QG 1.800 . 5.000 4.850 4.607 5.007 0.007 18 0 "[ . 1 . 2]" 1
331 1 49 ILE HA 1 50 ASN HB2 1.800 . 6.000 5.697 5.628 5.756 . 0 0 "[ . 1 . 2]" 1
332 1 49 ILE HA 1 50 ASN HB3 1.800 . 6.000 5.638 5.560 5.736 . 0 0 "[ . 1 . 2]" 1
333 1 49 ILE HA 1 54 LEU QB 1.800 . 5.500 3.638 3.305 3.846 . 0 0 "[ . 1 . 2]" 1
334 1 48 LYS HA 1 50 ASN H 1.800 . 3.500 3.237 3.144 3.374 . 0 0 "[ . 1 . 2]" 1
335 1 49 ILE HA 1 50 ASN H 1.800 . 4.000 3.298 3.236 3.346 . 0 0 "[ . 1 . 2]" 1
336 1 49 ILE MG 1 50 ASN H 1.800 . 5.000 4.168 4.089 4.279 . 0 0 "[ . 1 . 2]" 1
337 1 49 ILE MD 1 50 ASN H 1.800 . 5.000 4.058 3.713 5.022 0.022 3 0 "[ . 1 . 2]" 1
338 1 50 ASN H 1 54 LEU QB 1.800 . 5.500 3.873 3.748 4.009 . 0 0 "[ . 1 . 2]" 1
339 1 50 ASN HA 1 52 PHE QB 1.800 . 6.500 5.442 5.377 5.474 . 0 0 "[ . 1 . 2]" 1
340 1 49 ILE MG 1 51 LEU H 1.800 . 6.500 5.662 5.550 5.843 . 0 0 "[ . 1 . 2]" 1
341 1 50 ASN HA 1 51 LEU H 1.800 . 5.500 2.299 2.281 2.306 . 0 0 "[ . 1 . 2]" 1
342 1 50 ASN HB2 1 51 LEU H 1.800 . 4.500 3.949 3.912 4.049 . 0 0 "[ . 1 . 2]" 1
343 1 50 ASN HB3 1 51 LEU H 1.800 . 4.500 3.783 3.709 3.828 . 0 0 "[ . 1 . 2]" 1
344 1 51 LEU H 1 52 PHE QB 1.800 . 5.000 4.237 4.204 4.285 . 0 0 "[ . 1 . 2]" 1
345 1 51 LEU H 1 52 PHE H 1.800 . 3.500 2.500 2.483 2.529 . 0 0 "[ . 1 . 2]" 1
346 1 51 LEU H 1 53 TYR H 1.800 . 4.000 4.026 3.997 4.098 0.098 12 0 "[ . 1 . 2]" 1
347 1 51 LEU H 1 54 LEU H 1.800 . 5.000 4.852 4.793 4.947 . 0 0 "[ . 1 . 2]" 1
348 1 51 LEU H 1 55 TYR H 1.800 . 6.000 5.951 5.784 6.007 0.007 10 0 "[ . 1 . 2]" 1
349 1 51 LEU H 1 104 ILE HB 1.800 . 6.000 5.948 5.571 6.039 0.039 20 0 "[ . 1 . 2]" 1
350 1 51 LEU H 1 104 ILE MD 1.800 . 6.500 6.145 5.490 6.517 0.017 15 0 "[ . 1 . 2]" 1
351 1 50 ASN HA 1 52 PHE H 1.800 . 4.000 3.946 3.903 4.000 0.000 18 0 "[ . 1 . 2]" 1
352 1 51 LEU HA 1 52 PHE H 1.800 . 4.000 3.436 3.409 3.458 . 0 0 "[ . 1 . 2]" 1
353 1 52 PHE H 1 53 TYR H 1.800 . 5.800 2.205 2.183 2.266 . 0 0 "[ . 1 . 2]" 1
354 1 52 PHE H 1 54 LEU H 1.800 . 4.000 3.969 3.880 4.013 0.013 11 0 "[ . 1 . 2]" 1
355 1 52 PHE H 1 56 MET H 1.800 . 6.000 5.724 5.574 5.815 . 0 0 "[ . 1 . 2]" 1
356 1 52 PHE QB 1 53 TYR H 1.800 . 4.000 2.766 2.701 2.814 . 0 0 "[ . 1 . 2]" 1
357 1 17 ASN QB 1 53 TYR H 1.800 . 6.500 6.418 6.145 6.513 0.013 4 0 "[ . 1 . 2]" 1
358 1 50 ASN HA 1 54 LEU H 1.800 . 5.000 4.831 4.779 4.882 . 0 0 "[ . 1 . 2]" 1
359 1 50 ASN QB 1 54 LEU H 1.800 . 5.000 3.282 3.199 3.438 . 0 0 "[ . 1 . 2]" 1
360 1 52 PHE QB 1 54 LEU H 1.800 . 6.000 4.946 4.889 4.992 . 0 0 "[ . 1 . 2]" 1
361 1 54 LEU H 1 55 TYR H 1.800 . 3.500 2.648 2.596 2.687 . 0 0 "[ . 1 . 2]" 1
362 1 54 LEU H 1 57 LEU MD1 1.800 . 6.500 6.008 4.799 6.508 0.008 14 0 "[ . 1 . 2]" 1
363 1 55 TYR H 1 57 LEU QD 1.800 . 6.500 5.610 5.291 5.927 . 0 0 "[ . 1 . 2]" 1
364 1 52 PHE QB 1 56 MET H 1.800 . 6.000 4.963 4.848 5.117 . 0 0 "[ . 1 . 2]" 1
365 1 53 TYR HA 1 56 MET H 1.800 . 4.000 3.536 3.431 3.691 . 0 0 "[ . 1 . 2]" 1
366 1 55 TYR QB 1 56 MET H 1.800 . 5.300 2.439 2.280 2.603 . 0 0 "[ . 1 . 2]" 1
367 1 55 TYR H 1 56 MET H 1.800 . 6.300 2.563 2.510 2.674 . 0 0 "[ . 1 . 2]" 1
368 1 56 MET H 1 57 LEU QB 1.800 . 5.500 4.423 4.397 4.449 . 0 0 "[ . 1 . 2]" 1
369 1 56 MET H 1 57 LEU MD1 1.800 . 6.500 6.139 5.595 6.497 . 0 0 "[ . 1 . 2]" 1
370 1 56 MET H 1 58 VAL H 1.800 . 4.500 4.393 4.362 4.424 . 0 0 "[ . 1 . 2]" 1
371 1 56 MET HA 1 57 LEU H 1.800 . 6.500 3.527 3.515 3.538 . 0 0 "[ . 1 . 2]" 1
372 1 54 LEU H 1 57 LEU H 1.800 . 5.000 4.856 4.777 4.904 . 0 0 "[ . 1 . 2]" 1
373 1 55 TYR H 1 57 LEU H 1.800 . 4.000 3.936 3.838 4.006 0.006 12 0 "[ . 1 . 2]" 1
374 1 57 LEU H 1 57 LEU QD 1.800 . 4.800 3.629 3.412 3.730 . 0 0 "[ . 1 . 2]" 1
375 1 57 LEU H 1 58 VAL HA 1.800 . 5.500 5.330 5.300 5.355 . 0 0 "[ . 1 . 2]" 1
376 1 57 LEU H 1 58 VAL HB 1.800 . 5.000 4.946 4.869 5.010 0.010 17 0 "[ . 1 . 2]" 1
377 1 57 LEU H 1 58 VAL H 1.800 . 4.800 2.740 2.703 2.769 . 0 0 "[ . 1 . 2]" 1
378 1 57 LEU H 1 60 LYS QG 1.800 . 6.500 5.854 4.844 6.504 0.004 12 0 "[ . 1 . 2]" 1
379 1 57 LEU HA 1 60 LYS QB 1.800 . 4.000 2.626 2.482 2.783 . 0 0 "[ . 1 . 2]" 1
380 1 57 LEU HA 1 60 LYS QD 1.800 . 6.500 4.742 3.347 5.602 . 0 0 "[ . 1 . 2]" 1
381 1 57 LEU QD 1 60 LYS QB 1.800 . 6.500 3.892 2.889 4.328 . 0 0 "[ . 1 . 2]" 1
382 1 55 TYR HA 1 58 VAL H 1.800 . 4.000 3.582 3.523 3.662 . 0 0 "[ . 1 . 2]" 1
383 1 55 TYR QB 1 58 VAL H 1.800 . 6.000 5.108 4.983 5.146 . 0 0 "[ . 1 . 2]" 1
384 1 57 LEU HA 1 58 VAL H 1.800 . 4.000 3.556 3.556 3.558 . 0 0 "[ . 1 . 2]" 1
385 1 57 LEU HB2 1 58 VAL H 1.800 . 4.000 3.649 2.845 3.916 . 0 0 "[ . 1 . 2]" 1
386 1 57 LEU HB3 1 58 VAL H 1.800 . 4.000 2.452 2.391 2.903 . 0 0 "[ . 1 . 2]" 1
387 1 58 VAL H 1 58 VAL HB 1.800 . 4.000 2.574 2.532 2.643 . 0 0 "[ . 1 . 2]" 1
388 1 58 VAL H 1 58 VAL QG 1.800 . 4.500 2.131 2.094 2.182 . 0 0 "[ . 1 . 2]" 1
389 1 58 VAL H 1 59 GLN HA 1.800 . 5.500 5.362 5.338 5.374 . 0 0 "[ . 1 . 2]" 1
390 1 58 VAL H 1 59 GLN QB 1.800 . 5.500 4.497 4.412 4.656 . 0 0 "[ . 1 . 2]" 1
391 1 58 VAL H 1 61 PHE QB 1.800 . 6.000 4.815 4.695 4.931 . 0 0 "[ . 1 . 2]" 1
392 1 57 LEU QB 1 58 VAL HA 1.800 . 5.000 4.006 3.715 4.308 . 0 0 "[ . 1 . 2]" 1
393 1 56 MET QB 1 59 GLN H 1.800 . 6.000 5.207 5.110 5.257 . 0 0 "[ . 1 . 2]" 1
394 1 58 VAL QG 1 59 GLN H 1.800 . 5.000 3.121 3.073 3.167 . 0 0 "[ . 1 . 2]" 1
395 1 59 GLN H 1 61 PHE H 1.800 . 4.500 4.144 4.081 4.167 . 0 0 "[ . 1 . 2]" 1
396 1 59 GLN H 1 63 GLY QA 1.800 . 6.000 4.608 4.518 4.774 . 0 0 "[ . 1 . 2]" 1
397 1 55 TYR HA 1 59 GLN QB 1.800 . 6.000 4.795 4.674 5.300 . 0 0 "[ . 1 . 2]" 1
398 1 58 VAL HB 1 60 LYS H 1.800 . 5.000 4.810 4.782 4.877 . 0 0 "[ . 1 . 2]" 1
399 1 58 VAL QG 1 60 LYS H 1.800 . 6.000 4.470 4.439 4.515 . 0 0 "[ . 1 . 2]" 1
400 1 59 GLN HA 1 60 LYS H 1.800 . 4.000 3.509 3.508 3.510 . 0 0 "[ . 1 . 2]" 1
401 1 60 LYS H 1 60 LYS QG 1.800 . 4.000 3.551 2.934 3.995 . 0 0 "[ . 1 . 2]" 1
402 1 60 LYS H 1 61 PHE QB 1.800 . 5.500 4.285 4.202 4.387 . 0 0 "[ . 1 . 2]" 1
403 1 60 LYS H 1 61 PHE H 1.800 . 3.500 2.532 2.465 2.566 . 0 0 "[ . 1 . 2]" 1
404 1 60 LYS H 1 62 GLY QA 1.800 . 6.500 5.532 5.499 5.580 . 0 0 "[ . 1 . 2]" 1
405 1 60 LYS H 1 62 GLY H 1.800 . 4.000 3.838 3.829 3.856 . 0 0 "[ . 1 . 2]" 1
406 1 60 LYS H 1 63 GLY H 1.800 . 5.000 4.625 4.562 4.692 . 0 0 "[ . 1 . 2]" 1
407 1 57 LEU HA 1 60 LYS QG 1.800 . 5.500 4.035 3.503 4.429 . 0 0 "[ . 1 . 2]" 1
408 1 57 LEU QB 1 61 PHE H 1.800 . 6.000 5.279 4.882 5.413 . 0 0 "[ . 1 . 2]" 1
409 1 58 VAL HB 1 61 PHE H 1.800 . 5.500 5.394 5.336 5.436 . 0 0 "[ . 1 . 2]" 1
410 1 58 VAL QG 1 61 PHE H 1.800 . 5.500 4.213 4.094 4.301 . 0 0 "[ . 1 . 2]" 1
411 1 59 GLN QB 1 61 PHE H 1.800 . 5.500 4.719 4.653 4.793 . 0 0 "[ . 1 . 2]" 1
412 1 60 LYS HA 1 61 PHE H 1.800 . 4.000 3.512 3.497 3.517 . 0 0 "[ . 1 . 2]" 1
413 1 60 LYS QB 1 61 PHE H 1.800 . 4.000 2.767 2.658 2.823 . 0 0 "[ . 1 . 2]" 1
414 1 60 LYS QG 1 61 PHE H 1.800 . 6.000 4.255 3.584 4.557 . 0 0 "[ . 1 . 2]" 1
415 1 60 LYS QD 1 61 PHE H 1.800 . 6.000 4.651 3.461 5.217 . 0 0 "[ . 1 . 2]" 1
416 1 61 PHE H 1 62 GLY HA2 1.800 . 5.500 4.893 4.879 4.905 . 0 0 "[ . 1 . 2]" 1
417 1 61 PHE H 1 62 GLY HA3 1.800 . 5.500 5.163 5.162 5.165 . 0 0 "[ . 1 . 2]" 1
418 1 61 PHE H 1 63 GLY H 1.800 . 4.000 3.577 3.520 3.646 . 0 0 "[ . 1 . 2]" 1
419 1 61 PHE H 1 67 VAL MG2 1.800 . 6.000 4.500 4.110 4.833 . 0 0 "[ . 1 . 2]" 1
420 1 61 PHE HA 1 62 GLY QA 1.800 . 5.500 4.173 4.170 4.178 . 0 0 "[ . 1 . 2]" 1
421 1 61 PHE HA 1 67 VAL MG2 1.800 . 5.500 4.435 4.184 4.731 . 0 0 "[ . 1 . 2]" 1
422 1 58 VAL HB 1 62 GLY H 1.800 . 6.500 6.223 6.199 6.250 . 0 0 "[ . 1 . 2]" 1
423 1 58 VAL MG1 1 62 GLY H 1.800 . 6.000 4.619 4.507 4.807 . 0 0 "[ . 1 . 2]" 1
424 1 59 GLN QB 1 62 GLY H 1.800 . 6.000 4.869 4.699 5.001 . 0 0 "[ . 1 . 2]" 1
425 1 60 LYS HA 1 62 GLY H 1.800 . 4.000 3.682 3.634 3.696 . 0 0 "[ . 1 . 2]" 1
426 1 60 LYS QB 1 62 GLY H 1.800 . 5.000 4.401 4.358 4.508 . 0 0 "[ . 1 . 2]" 1
427 1 60 LYS QG 1 62 GLY H 1.800 . 6.500 5.237 4.725 5.538 . 0 0 "[ . 1 . 2]" 1
428 1 61 PHE HB2 1 62 GLY H 1.800 . 5.000 3.608 3.460 3.837 . 0 0 "[ . 1 . 2]" 1
429 1 61 PHE HB3 1 62 GLY H 1.800 . 5.000 3.778 3.543 3.969 . 0 0 "[ . 1 . 2]" 1
430 1 62 GLY H 1 63 GLY HA3 1.800 . 5.000 4.860 4.832 4.924 . 0 0 "[ . 1 . 2]" 1
431 1 62 GLY H 1 63 GLY HA2 1.800 . 5.000 4.468 4.441 4.544 . 0 0 "[ . 1 . 2]" 1
432 1 62 GLY H 1 63 GLY H 1.800 . 4.000 2.164 2.141 2.213 . 0 0 "[ . 1 . 2]" 1
433 1 62 GLY H 1 66 GLN HG2 1.800 . 6.500 5.267 5.135 6.126 . 0 0 "[ . 1 . 2]" 1
434 1 62 GLY H 1 66 GLN HG3 1.800 . 6.500 6.502 5.193 6.585 0.085 2 0 "[ . 1 . 2]" 1
435 1 62 GLY H 1 67 VAL H 1.800 . 6.500 6.327 6.122 6.477 . 0 0 "[ . 1 . 2]" 1
436 1 58 VAL HB 1 63 GLY H 1.800 . 5.000 5.013 5.005 5.021 0.021 17 0 "[ . 1 . 2]" 1
437 1 58 VAL QG 1 63 GLY H 1.800 . 5.000 3.084 2.965 3.349 . 0 0 "[ . 1 . 2]" 1
438 1 59 GLN QB 1 63 GLY H 1.800 . 5.500 4.865 4.707 5.018 . 0 0 "[ . 1 . 2]" 1
439 1 59 GLN H 1 63 GLY H 1.800 . 5.000 4.530 4.451 4.626 . 0 0 "[ . 1 . 2]" 1
440 1 60 LYS QB 1 63 GLY H 1.800 . 6.500 5.691 5.654 5.739 . 0 0 "[ . 1 . 2]" 1
441 1 61 PHE HB2 1 63 GLY H 1.800 . 4.500 3.901 3.503 4.442 . 0 0 "[ . 1 . 2]" 1
442 1 61 PHE HB3 1 63 GLY H 1.800 . 4.500 3.960 3.556 4.274 . 0 0 "[ . 1 . 2]" 1
443 1 62 GLY HA2 1 63 GLY H 1.800 . 4.500 3.048 2.984 3.134 . 0 0 "[ . 1 . 2]" 1
444 1 62 GLY HA3 1 63 GLY H 1.800 . 4.500 3.453 3.402 3.486 . 0 0 "[ . 1 . 2]" 1
445 1 63 GLY H 1 64 ALA MB 1.800 . 6.500 5.586 5.543 5.626 . 0 0 "[ . 1 . 2]" 1
446 1 63 GLY H 1 64 ALA H 1.800 . 5.000 4.284 4.242 4.381 . 0 0 "[ . 1 . 2]" 1
447 1 58 VAL HB 1 63 GLY QA 1.800 . 6.000 4.233 4.184 4.346 . 0 0 "[ . 1 . 2]" 1
448 1 58 VAL QG 1 64 ALA H 1.800 . 5.000 2.282 2.187 2.438 . 0 0 "[ . 1 . 2]" 1
449 1 59 GLN HA 1 64 ALA H 1.800 . 5.500 5.460 5.180 5.512 0.012 2 0 "[ . 1 . 2]" 1
450 1 62 GLY H 1 64 ALA H 1.800 . 6.500 6.427 6.341 6.515 0.015 12 0 "[ . 1 . 2]" 1
451 1 63 GLY HA2 1 64 ALA H 1.800 . 5.000 2.309 2.275 2.404 . 0 0 "[ . 1 . 2]" 1
452 1 63 GLY HA3 1 64 ALA H 1.800 . 5.000 2.857 2.735 2.905 . 0 0 "[ . 1 . 2]" 1
453 1 64 ALA H 1 64 ALA MB 1.800 . 4.800 2.113 2.026 2.233 . 0 0 "[ . 1 . 2]" 1
454 1 64 ALA H 1 65 ASP QB 1.800 . 5.500 4.730 4.452 5.050 . 0 0 "[ . 1 . 2]" 1
455 1 64 ALA H 1 66 GLN H 1.800 . 4.500 4.327 4.257 4.348 . 0 0 "[ . 1 . 2]" 1
456 1 63 GLY HA3 1 64 ALA MB 1.800 . 6.000 4.435 4.387 4.471 . 0 0 "[ . 1 . 2]" 1
457 1 64 ALA MB 1 65 ASP HA 1.800 . 5.500 3.792 3.727 3.870 . 0 0 "[ . 1 . 2]" 1
458 1 64 ALA MB 1 65 ASP QB 1.800 . 6.500 4.381 3.944 4.570 . 0 0 "[ . 1 . 2]" 1
459 1 63 GLY QA 1 65 ASP H 1.800 . 4.500 3.151 3.137 3.200 . 0 0 "[ . 1 . 2]" 1
460 1 63 GLY H 1 65 ASP H 1.800 . 5.500 5.460 5.400 5.512 0.012 10 0 "[ . 1 . 2]" 1
461 1 64 ALA MB 1 65 ASP H 1.800 . 5.000 2.784 2.714 2.851 . 0 0 "[ . 1 . 2]" 1
462 1 64 ALA HA 1 65 ASP H 1.800 . 4.000 3.500 3.498 3.510 . 0 0 "[ . 1 . 2]" 1
463 1 65 ASP H 1 65 ASP QB 1.800 . 3.500 2.353 2.049 2.663 . 0 0 "[ . 1 . 2]" 1
464 1 65 ASP H 1 66 GLN HA 1.800 . 6.000 5.251 5.212 5.294 . 0 0 "[ . 1 . 2]" 1
465 1 65 ASP H 1 66 GLN H 1.800 . 3.500 2.634 2.585 2.688 . 0 0 "[ . 1 . 2]" 1
466 1 65 ASP H 1 68 THR H 1.800 . 5.000 4.856 4.809 4.952 . 0 0 "[ . 1 . 2]" 1
467 1 65 ASP H 1 69 ARG H 1.800 . 6.000 5.894 5.861 5.966 . 0 0 "[ . 1 . 2]" 1
468 1 65 ASP HA 1 68 THR MG 1.800 . 3.500 1.916 1.897 1.989 . 0 0 "[ . 1 . 2]" 1
469 1 62 GLY HA2 1 66 GLN H 1.800 . 6.000 5.680 5.579 5.926 . 0 0 "[ . 1 . 2]" 1
470 1 62 GLY HA3 1 66 GLN H 1.800 . 5.500 4.708 4.585 4.972 . 0 0 "[ . 1 . 2]" 1
471 1 63 GLY QA 1 66 GLN H 1.800 . 5.000 3.406 3.328 3.467 . 0 0 "[ . 1 . 2]" 1
472 1 65 ASP HA 1 66 GLN H 1.800 . 4.000 3.520 3.518 3.522 . 0 0 "[ . 1 . 2]" 1
473 1 65 ASP QB 1 66 GLN H 1.800 . 4.500 2.695 2.639 2.779 . 0 0 "[ . 1 . 2]" 1
474 1 66 GLN H 1 67 VAL MG2 1.800 . 6.000 3.835 3.729 3.906 . 0 0 "[ . 1 . 2]" 1
475 1 66 GLN H 1 69 ARG H 1.800 . 4.500 4.512 4.450 4.525 0.025 3 0 "[ . 1 . 2]" 1
476 1 61 PHE HA 1 66 GLN QG 1.800 . 6.000 4.530 4.503 4.594 . 0 0 "[ . 1 . 2]" 1
477 1 62 GLY QA 1 66 GLN QG 1.800 . 5.500 3.096 2.868 3.228 . 0 0 "[ . 1 . 2]" 1
478 1 66 GLN QG 1 69 ARG QB 1.800 . 6.000 3.398 3.279 3.956 . 0 0 "[ . 1 . 2]" 1
479 1 66 GLN QG 1 70 THR MG 1.800 . 5.500 4.168 3.522 4.918 . 0 0 "[ . 1 . 2]" 1
480 1 61 PHE QB 1 67 VAL H 1.800 . 5.500 3.947 3.721 4.322 . 0 0 "[ . 1 . 2]" 1
481 1 63 GLY QA 1 67 VAL H 1.800 . 5.500 4.738 4.586 4.830 . 0 0 "[ . 1 . 2]" 1
482 1 64 ALA HA 1 67 VAL H 1.800 . 3.500 3.349 3.313 3.417 . 0 0 "[ . 1 . 2]" 1
483 1 64 ALA MB 1 67 VAL H 1.800 . 6.000 4.537 4.498 4.598 . 0 0 "[ . 1 . 2]" 1
484 1 64 ALA H 1 67 VAL H 1.800 . 5.000 4.977 4.910 5.042 0.042 10 0 "[ . 1 . 2]" 1
485 1 65 ASP HA 1 67 VAL H 1.800 . 4.500 4.374 4.338 4.510 0.010 10 0 "[ . 1 . 2]" 1
486 1 65 ASP H 1 67 VAL H 1.800 . 4.500 4.128 4.060 4.249 . 0 0 "[ . 1 . 2]" 1
487 1 67 VAL H 1 67 VAL QG 1.800 . 3.500 2.058 1.933 2.156 . 0 0 "[ . 1 . 2]" 1
488 1 67 VAL H 1 68 THR H 1.800 . 3.500 2.594 2.576 2.680 . 0 0 "[ . 1 . 2]" 1
489 1 67 VAL H 1 69 ARG QB 1.800 . 6.000 4.596 4.485 4.658 . 0 0 "[ . 1 . 2]" 1
490 1 67 VAL H 1 69 ARG H 1.800 . 4.000 3.868 3.828 3.902 . 0 0 "[ . 1 . 2]" 1
491 1 67 VAL H 1 72 GLN H 1.800 . 6.000 6.005 5.773 6.052 0.052 20 0 "[ . 1 . 2]" 1
492 1 61 PHE HB2 1 67 VAL MG2 1.800 . 4.000 2.878 2.416 3.399 . 0 0 "[ . 1 . 2]" 1
493 1 61 PHE HB3 1 67 VAL MG2 1.800 . 4.000 2.115 1.927 2.385 . 0 0 "[ . 1 . 2]" 1
494 1 64 ALA HA 1 67 VAL MG2 1.800 . 4.000 2.422 2.192 2.846 . 0 0 "[ . 1 . 2]" 1
495 1 64 ALA HA 1 68 THR H 1.800 . 4.500 4.331 4.221 4.484 . 0 0 "[ . 1 . 2]" 1
496 1 65 ASP HA 1 68 THR H 1.800 . 3.500 3.523 3.509 3.592 0.092 10 0 "[ . 1 . 2]" 1
497 1 65 ASP QB 1 68 THR H 1.800 . 6.000 4.907 4.851 5.038 . 0 0 "[ . 1 . 2]" 1
498 1 66 GLN QG 1 68 THR H 1.800 . 6.000 5.441 5.155 5.916 . 0 0 "[ . 1 . 2]" 1
499 1 67 VAL HB 1 68 THR H 1.800 . 6.000 2.730 2.647 2.801 . 0 0 "[ . 1 . 2]" 1
500 1 67 VAL MG2 1 68 THR H 1.800 . 5.500 3.747 3.682 3.854 . 0 0 "[ . 1 . 2]" 1
501 1 68 THR H 1 69 ARG QB 1.800 . 5.500 4.074 3.966 4.140 . 0 0 "[ . 1 . 2]" 1
502 1 68 THR H 1 69 ARG H 1.800 . 3.500 2.322 2.224 2.381 . 0 0 "[ . 1 . 2]" 1
503 1 68 THR H 1 71 GLN HA 1.800 . 5.500 5.490 5.437 5.520 0.020 10 0 "[ . 1 . 2]" 1
504 1 68 THR HA 1 71 GLN QB 1.800 . 6.000 4.761 4.619 4.941 . 0 0 "[ . 1 . 2]" 1
505 1 67 VAL HB 1 68 THR HB 1.800 . 6.000 4.072 3.991 4.133 . 0 0 "[ . 1 . 2]" 1
506 1 65 ASP HA 1 69 ARG H 1.800 . 4.000 4.011 3.959 4.157 0.157 10 0 "[ . 1 . 2]" 1
507 1 65 ASP QB 1 69 ARG H 1.800 . 5.500 4.690 4.619 5.106 . 0 0 "[ . 1 . 2]" 1
508 1 66 GLN HG2 1 69 ARG H 1.800 . 6.000 5.945 5.714 6.013 0.013 15 0 "[ . 1 . 2]" 1
509 1 66 GLN HG3 1 69 ARG H 1.800 . 6.000 5.101 5.005 6.196 0.196 10 0 "[ . 1 . 2]" 1
510 1 67 VAL HB 1 69 ARG H 1.800 . 5.000 4.882 4.812 4.946 . 0 0 "[ . 1 . 2]" 1
511 1 68 THR HA 1 69 ARG H 1.800 . 4.000 3.474 3.450 3.485 . 0 0 "[ . 1 . 2]" 1
512 1 68 THR MG 1 69 ARG H 1.800 . 5.500 2.335 2.284 2.422 . 0 0 "[ . 1 . 2]" 1
513 1 69 ARG H 1 69 ARG QG 1.800 . 4.500 3.849 2.968 4.047 . 0 0 "[ . 1 . 2]" 1
514 1 69 ARG H 1 69 ARG QD 1.800 . 5.500 4.293 4.003 4.522 . 0 0 "[ . 1 . 2]" 1
515 1 69 ARG H 1 70 THR MG 1.800 . 5.500 4.913 3.899 5.479 . 0 0 "[ . 1 . 2]" 1
516 1 69 ARG H 1 70 THR H 1.800 . 3.500 2.757 2.616 2.800 . 0 0 "[ . 1 . 2]" 1
517 1 69 ARG H 1 73 TRP H 1.800 . 6.500 6.222 5.975 6.465 . 0 0 "[ . 1 . 2]" 1
518 1 68 THR MG 1 69 ARG HA 1.800 . 5.000 3.147 3.098 3.174 . 0 0 "[ . 1 . 2]" 1
519 1 69 ARG QD 1 70 THR MG 1.800 . 5.000 3.536 2.123 5.060 0.060 17 0 "[ . 1 . 2]" 1
520 1 69 ARG QG 1 70 THR MG 1.800 . 5.500 3.882 2.743 5.048 . 0 0 "[ . 1 . 2]" 1
521 1 66 GLN HG2 1 70 THR H 1.800 . 6.000 5.783 5.562 6.044 0.044 10 0 "[ . 1 . 2]" 1
522 1 66 GLN HG3 1 70 THR H 1.800 . 6.000 5.047 4.740 5.998 . 0 0 "[ . 1 . 2]" 1
523 1 67 VAL HB 1 70 THR H 1.800 . 6.000 5.990 5.906 6.070 0.070 10 0 "[ . 1 . 2]" 1
524 1 67 VAL MG2 1 70 THR H 1.800 . 6.500 5.726 5.606 5.775 . 0 0 "[ . 1 . 2]" 1
525 1 68 THR HB 1 70 THR H 1.800 . 6.000 5.941 5.821 6.003 0.003 10 0 "[ . 1 . 2]" 1
526 1 68 THR MG 1 70 THR H 1.800 . 5.500 4.511 4.440 4.575 . 0 0 "[ . 1 . 2]" 1
527 1 68 THR H 1 70 THR H 1.800 . 4.500 4.252 4.111 4.376 . 0 0 "[ . 1 . 2]" 1
528 1 69 ARG HA 1 70 THR H 1.800 . 4.500 3.536 3.520 3.544 . 0 0 "[ . 1 . 2]" 1
529 1 69 ARG QB 1 70 THR H 1.800 . 4.500 2.595 2.500 2.715 . 0 0 "[ . 1 . 2]" 1
530 1 69 ARG QD 1 70 THR H 1.800 . 6.500 3.892 2.906 4.681 . 0 0 "[ . 1 . 2]" 1
531 1 70 THR H 1 70 THR MG 1.800 . 5.500 2.909 1.906 3.377 . 0 0 "[ . 1 . 2]" 1
532 1 70 THR H 1 71 GLN QB 1.800 . 6.000 4.869 4.743 5.166 . 0 0 "[ . 1 . 2]" 1
533 1 70 THR H 1 72 GLN H 1.800 . 4.000 3.736 3.644 3.861 . 0 0 "[ . 1 . 2]" 1
534 1 70 THR H 1 72 GLN HA 1.800 . 6.500 6.268 6.092 6.439 . 0 0 "[ . 1 . 2]" 1
535 1 70 THR H 1 73 TRP H 1.800 . 6.000 5.621 5.411 5.819 . 0 0 "[ . 1 . 2]" 1
536 1 69 ARG QD 1 70 THR HA 1.800 . 5.000 4.092 3.105 4.976 . 0 0 "[ . 1 . 2]" 1
537 1 70 THR HA 1 71 GLN QB 1.800 . 5.000 3.975 3.880 4.219 . 0 0 "[ . 1 . 2]" 1
538 1 66 GLN HG2 1 70 THR MG 1.800 . 6.000 5.023 4.233 5.866 . 0 0 "[ . 1 . 2]" 1
539 1 66 GLN HG3 1 70 THR MG 1.800 . 6.000 4.464 3.729 5.281 . 0 0 "[ . 1 . 2]" 1
540 1 68 THR HB 1 71 GLN H 1.800 . 5.500 5.300 5.254 5.420 . 0 0 "[ . 1 . 2]" 1
541 1 69 ARG HA 1 71 GLN H 1.800 . 4.000 3.998 3.957 4.030 0.030 17 0 "[ . 1 . 2]" 1
542 1 69 ARG QG 1 71 GLN H 1.800 . 6.500 5.158 4.842 5.634 . 0 0 "[ . 1 . 2]" 1
543 1 69 ARG H 1 71 GLN H 1.800 . 4.000 3.745 3.670 3.796 . 0 0 "[ . 1 . 2]" 1
544 1 70 THR HG1 1 71 GLN H 1.800 . 6.000 4.587 3.263 5.385 . 0 0 "[ . 1 . 2]" 1
545 1 71 GLN H 1 72 GLN H 1.800 . 3.500 2.805 2.759 2.848 . 0 0 "[ . 1 . 2]" 1
546 1 71 GLN H 1 73 TRP H 1.800 . 4.500 4.386 4.309 4.496 . 0 0 "[ . 1 . 2]" 1
547 1 67 VAL QG 1 72 GLN H 1.800 . 5.500 3.060 2.908 3.211 . 0 0 "[ . 1 . 2]" 1
548 1 67 VAL HB 1 72 GLN H 1.800 . 5.500 5.132 5.048 5.255 . 0 0 "[ . 1 . 2]" 1
549 1 68 THR HA 1 72 GLN H 1.800 . 4.000 3.461 3.346 3.812 . 0 0 "[ . 1 . 2]" 1
550 1 68 THR HB 1 72 GLN H 1.800 . 6.000 5.727 5.626 6.006 0.006 12 0 "[ . 1 . 2]" 1
551 1 69 ARG HA 1 72 GLN H 1.800 . 6.500 6.468 6.435 6.506 0.006 4 0 "[ . 1 . 2]" 1
552 1 69 ARG H 1 72 GLN H 1.800 . 5.500 5.107 5.046 5.187 . 0 0 "[ . 1 . 2]" 1
553 1 71 GLN QB 1 72 GLN H 1.800 . 5.000 3.928 3.885 3.961 . 0 0 "[ . 1 . 2]" 1
554 1 72 GLN H 1 73 TRP HB2 1.800 . 6.000 4.819 4.181 5.817 . 0 0 "[ . 1 . 2]" 1
555 1 72 GLN H 1 73 TRP HB3 1.800 . 6.000 4.475 4.254 5.652 . 0 0 "[ . 1 . 2]" 1
556 1 72 GLN H 1 73 TRP H 1.800 . 4.500 2.183 2.075 2.361 . 0 0 "[ . 1 . 2]" 1
557 1 72 GLN H 1 76 VAL QG 1.800 . 6.000 4.681 4.395 5.001 . 0 0 "[ . 1 . 2]" 1
558 1 72 GLN QB 1 75 MET H 1.800 . 5.500 4.403 4.017 4.781 . 0 0 "[ . 1 . 2]" 1
559 1 67 VAL HB 1 73 TRP H 1.800 . 5.000 4.738 4.342 5.001 0.001 16 0 "[ . 1 . 2]" 1
560 1 68 THR HA 1 73 TRP H 1.800 . 4.000 3.533 3.336 4.001 0.001 12 0 "[ . 1 . 2]" 1
561 1 68 THR HB 1 73 TRP H 1.800 . 6.000 5.320 5.078 5.826 . 0 0 "[ . 1 . 2]" 1
562 1 71 GLN HA 1 73 TRP H 1.800 . 3.500 3.169 3.066 3.367 . 0 0 "[ . 1 . 2]" 1
563 1 73 TRP H 1 76 VAL QG 1.800 . 6.000 4.145 3.816 4.458 . 0 0 "[ . 1 . 2]" 1
564 1 72 GLN HA 1 74 SER H 1.800 . 4.000 3.695 3.584 3.857 . 0 0 "[ . 1 . 2]" 1
565 1 74 SER H 1 74 SER HB2 1.800 . 4.000 3.264 2.443 3.594 . 0 0 "[ . 1 . 2]" 1
566 1 74 SER H 1 74 SER HB3 1.800 . 4.000 2.594 2.139 3.588 . 0 0 "[ . 1 . 2]" 1
567 1 74 SER H 1 75 MET HA 1.800 . 5.500 5.279 5.227 5.320 . 0 0 "[ . 1 . 2]" 1
568 1 74 SER H 1 75 MET QB 1.800 . 5.500 4.421 4.299 4.650 . 0 0 "[ . 1 . 2]" 1
569 1 74 SER H 1 75 MET H 1.800 . 4.000 2.664 2.604 2.716 . 0 0 "[ . 1 . 2]" 1
570 1 74 SER H 1 76 VAL QG 1.800 . 6.500 4.680 3.934 4.994 . 0 0 "[ . 1 . 2]" 1
571 1 74 SER H 1 76 VAL H 1.800 . 4.500 4.206 4.073 4.303 . 0 0 "[ . 1 . 2]" 1
572 1 74 SER H 1 77 ALA MB 1.800 . 6.000 4.501 4.303 4.592 . 0 0 "[ . 1 . 2]" 1
573 1 72 GLN HA 1 75 MET H 1.800 . 3.500 3.204 3.079 3.281 . 0 0 "[ . 1 . 2]" 1
574 1 73 TRP QB 1 75 MET H 1.800 . 5.500 4.982 4.715 5.275 . 0 0 "[ . 1 . 2]" 1
575 1 74 SER HA 1 75 MET H 1.800 . 4.500 3.536 3.514 3.551 . 0 0 "[ . 1 . 2]" 1
576 1 75 MET H 1 76 VAL H 1.800 . 3.500 2.600 2.561 2.637 . 0 0 "[ . 1 . 2]" 1
577 1 75 MET H 1 76 VAL QG 1.800 . 6.000 3.913 3.457 4.039 . 0 0 "[ . 1 . 2]" 1
578 1 75 MET H 1 77 ALA MB 1.800 . 6.000 4.695 4.476 4.850 . 0 0 "[ . 1 . 2]" 1
579 1 75 MET H 1 78 GLN QB 1.800 . 5.500 4.939 4.591 5.189 . 0 0 "[ . 1 . 2]" 1
580 1 72 GLN HA 1 76 VAL H 1.800 . 4.500 4.265 4.134 4.520 0.020 11 0 "[ . 1 . 2]" 1
581 1 73 TRP HB2 1 76 VAL H 1.800 . 6.000 5.725 5.511 5.827 . 0 0 "[ . 1 . 2]" 1
582 1 73 TRP HB3 1 76 VAL H 1.800 . 6.000 5.769 5.505 5.837 . 0 0 "[ . 1 . 2]" 1
583 1 76 VAL H 1 76 VAL HB 1.800 . 4.000 2.682 2.537 3.618 . 0 0 "[ . 1 . 2]" 1
584 1 76 VAL H 1 76 VAL QG 1.800 . 4.000 2.085 1.833 2.231 . 0 0 "[ . 1 . 2]" 1
585 1 76 VAL H 1 77 ALA MB 1.800 . 6.000 4.313 4.183 4.382 . 0 0 "[ . 1 . 2]" 1
586 1 76 VAL H 1 77 ALA H 1.800 . 4.000 2.716 2.568 2.797 . 0 0 "[ . 1 . 2]" 1
587 1 73 TRP QB 1 76 VAL QG 1.800 . 6.000 4.199 3.241 4.627 . 0 0 "[ . 1 . 2]" 1
588 1 76 VAL QG 1 77 ALA MB 1.800 . 6.500 3.783 3.004 3.994 . 0 0 "[ . 1 . 2]" 1
589 1 73 TRP HB2 1 77 ALA H 1.800 . 5.500 5.181 4.500 5.617 0.117 8 0 "[ . 1 . 2]" 1
590 1 73 TRP HB3 1 77 ALA H 1.800 . 5.500 5.437 4.464 5.618 0.118 11 0 "[ . 1 . 2]" 1
591 1 74 SER HA 1 77 ALA H 1.800 . 4.000 3.895 3.657 4.014 0.014 6 0 "[ . 1 . 2]" 1
592 1 74 SER H 1 77 ALA H 1.800 . 5.000 4.640 4.579 4.731 . 0 0 "[ . 1 . 2]" 1
593 1 75 MET H 1 77 ALA H 1.800 . 4.500 4.121 3.939 4.256 . 0 0 "[ . 1 . 2]" 1
594 1 76 VAL MG1 1 77 ALA H 1.800 . 6.000 3.356 2.033 3.909 . 0 0 "[ . 1 . 2]" 1
595 1 76 VAL MG2 1 77 ALA H 1.800 . 6.000 3.559 2.028 3.792 . 0 0 "[ . 1 . 2]" 1
596 1 77 ALA H 1 77 ALA MB 1.800 . 4.300 2.201 2.171 2.231 . 0 0 "[ . 1 . 2]" 1
597 1 77 ALA H 1 79 ARG QB 1.800 . 6.000 4.854 4.726 4.930 . 0 0 "[ . 1 . 2]" 1
598 1 77 ALA H 1 79 ARG H 1.800 . 4.500 4.160 4.034 4.204 . 0 0 "[ . 1 . 2]" 1
599 1 77 ALA H 1 80 LEU H 1.800 . 5.500 5.266 5.080 5.311 . 0 0 "[ . 1 . 2]" 1
600 1 77 ALA H 1 83 SER H 1.800 . 6.000 5.463 5.093 5.643 . 0 0 "[ . 1 . 2]" 1
601 1 73 TRP QB 1 77 ALA MB 1.800 . 6.000 4.082 3.570 4.429 . 0 0 "[ . 1 . 2]" 1
602 1 74 SER QB 1 77 ALA MB 1.800 . 6.500 4.375 4.009 4.606 . 0 0 "[ . 1 . 2]" 1
603 1 77 ALA MB 1 78 GLN QB 1.800 . 6.000 3.959 3.808 4.238 . 0 0 "[ . 1 . 2]" 1
604 1 77 ALA MB 1 80 LEU QD 1.800 . 6.000 3.658 3.178 5.597 . 0 0 "[ . 1 . 2]" 1
605 1 74 SER HA 1 78 GLN H 1.800 . 4.500 4.243 3.763 4.512 0.012 10 0 "[ . 1 . 2]" 1
606 1 75 MET HA 1 78 GLN H 1.800 . 4.000 3.694 3.590 3.915 . 0 0 "[ . 1 . 2]" 1
607 1 75 MET QB 1 78 GLN H 1.800 . 6.000 4.987 4.876 5.256 . 0 0 "[ . 1 . 2]" 1
608 1 75 MET H 1 78 GLN H 1.800 . 5.000 4.771 4.559 4.893 . 0 0 "[ . 1 . 2]" 1
609 1 76 VAL MG1 1 78 GLN H 1.800 . 6.500 4.918 4.253 5.592 . 0 0 "[ . 1 . 2]" 1
610 1 76 VAL MG2 1 78 GLN H 1.800 . 6.500 5.146 4.256 5.291 . 0 0 "[ . 1 . 2]" 1
611 1 77 ALA HA 1 78 GLN H 1.800 . 4.500 3.527 3.522 3.558 . 0 0 "[ . 1 . 2]" 1
612 1 77 ALA MB 1 78 GLN H 1.800 . 4.500 2.651 2.499 2.681 . 0 0 "[ . 1 . 2]" 1
613 1 78 GLN H 1 79 ARG H 1.800 . 3.500 2.621 2.550 2.668 . 0 0 "[ . 1 . 2]" 1
614 1 78 GLN H 1 80 LEU H 1.800 . 4.500 4.380 4.321 4.417 . 0 0 "[ . 1 . 2]" 1
615 1 78 GLN H 1 82 ILE H 1.800 . 5.000 4.746 4.522 4.843 . 0 0 "[ . 1 . 2]" 1
616 1 78 GLN HA 1 81 GLN QB 1.800 . 6.000 4.681 4.539 5.031 . 0 0 "[ . 1 . 2]" 1
617 1 78 GLN QB 1 79 ARG HA 1.800 . 6.000 4.088 3.812 4.250 . 0 0 "[ . 1 . 2]" 1
618 1 75 MET HA 1 78 GLN QG 1.800 . 5.500 4.645 3.724 5.272 . 0 0 "[ . 1 . 2]" 1
619 1 78 GLN QG 1 79 ARG HA 1.800 . 6.000 4.444 3.570 5.748 . 0 0 "[ . 1 . 2]" 1
620 1 44 ILE MG 1 79 ARG H 1.800 . 6.500 5.286 4.639 6.545 0.045 20 0 "[ . 1 . 2]" 1
621 1 45 GLY QA 1 79 ARG H 1.800 . 6.500 5.700 5.418 6.527 0.027 12 0 "[ . 1 . 2]" 1
622 1 48 LYS QE 1 79 ARG H 1.800 . 6.500 5.657 4.643 6.500 0.000 7 0 "[ . 1 . 2]" 1
623 1 76 VAL HA 1 79 ARG H 1.800 . 3.500 3.406 3.259 3.535 0.035 16 0 "[ . 1 . 2]" 1
624 1 76 VAL MG1 1 79 ARG H 1.800 . 5.500 4.415 4.218 5.120 . 0 0 "[ . 1 . 2]" 1
625 1 76 VAL MG2 1 79 ARG H 1.800 . 6.500 5.126 4.181 5.296 . 0 0 "[ . 1 . 2]" 1
626 1 76 VAL H 1 79 ARG H 1.800 . 5.000 4.931 4.815 5.010 0.010 11 0 "[ . 1 . 2]" 1
627 1 77 ALA MB 1 79 ARG H 1.800 . 5.500 4.438 4.347 4.456 . 0 0 "[ . 1 . 2]" 1
628 1 78 GLN QB 1 79 ARG H 1.800 . 4.000 2.791 2.744 2.867 . 0 0 "[ . 1 . 2]" 1
629 1 78 GLN QG 1 79 ARG H 1.800 . 5.500 4.105 3.604 4.537 . 0 0 "[ . 1 . 2]" 1
630 1 79 ARG H 1 80 LEU QB 1.800 . 6.000 5.145 4.567 5.330 . 0 0 "[ . 1 . 2]" 1
631 1 79 ARG H 1 81 GLN H 1.800 . 4.000 3.681 3.659 3.733 . 0 0 "[ . 1 . 2]" 1
632 1 79 ARG HA 1 80 LEU QD 1.800 . 5.500 4.538 4.153 5.588 0.088 12 0 "[ . 1 . 2]" 1
633 1 79 ARG HA 1 81 GLN QB 1.800 . 6.000 5.546 5.449 5.828 . 0 0 "[ . 1 . 2]" 1
634 1 45 GLY QA 1 79 ARG QB 1.800 . 6.000 3.695 3.196 4.333 . 0 0 "[ . 1 . 2]" 1
635 1 75 MET HA 1 79 ARG QB 1.800 . 6.000 5.570 5.062 5.773 . 0 0 "[ . 1 . 2]" 1
636 1 77 ALA HA 1 79 ARG QB 1.800 . 6.000 4.673 4.583 4.794 . 0 0 "[ . 1 . 2]" 1
637 1 76 VAL QG 1 79 ARG QD 1.800 . 6.500 4.060 3.161 5.397 . 0 0 "[ . 1 . 2]" 1
638 1 45 GLY QA 1 80 LEU H 1.800 . 6.000 4.703 4.469 4.910 . 0 0 "[ . 1 . 2]" 1
639 1 48 LYS QB 1 80 LEU H 1.800 . 5.500 4.742 4.248 4.933 . 0 0 "[ . 1 . 2]" 1
640 1 48 LYS QD 1 80 LEU H 1.800 . 6.000 4.198 3.700 5.148 . 0 0 "[ . 1 . 2]" 1
641 1 48 LYS QG 1 80 LEU H 1.800 . 6.000 5.575 4.735 6.001 0.001 17 0 "[ . 1 . 2]" 1
642 1 48 LYS QE 1 80 LEU H 1.800 . 6.000 4.235 3.013 5.432 . 0 0 "[ . 1 . 2]" 1
643 1 78 GLN QB 1 80 LEU H 1.800 . 6.000 4.903 4.828 4.951 . 0 0 "[ . 1 . 2]" 1
644 1 79 ARG HA 1 80 LEU H 1.800 . 4.500 3.541 3.535 3.545 . 0 0 "[ . 1 . 2]" 1
645 1 79 ARG H 1 80 LEU H 1.800 . 4.000 2.748 2.703 2.770 . 0 0 "[ . 1 . 2]" 1
646 1 80 LEU H 1 80 LEU QB 1.800 . 4.000 2.770 2.181 2.995 . 0 0 "[ . 1 . 2]" 1
647 1 80 LEU H 1 80 LEU QD 1.800 . 5.000 2.189 1.875 3.772 . 0 0 "[ . 1 . 2]" 1
648 1 80 LEU H 1 81 GLN HA 1.800 . 5.000 4.488 4.466 4.554 . 0 0 "[ . 1 . 2]" 1
649 1 80 LEU H 1 81 GLN QB 1.800 . 5.500 4.742 4.715 4.818 . 0 0 "[ . 1 . 2]" 1
650 1 80 LEU H 1 81 GLN H 1.800 . 3.500 2.278 2.248 2.367 . 0 0 "[ . 1 . 2]" 1
651 1 80 LEU H 1 82 ILE H 1.800 . 4.000 3.759 3.352 3.845 . 0 0 "[ . 1 . 2]" 1
652 1 45 GLY QA 1 80 LEU HA 1.800 . 4.500 3.282 2.711 3.756 . 0 0 "[ . 1 . 2]" 1
653 1 49 ILE HA 1 80 LEU QB 1.800 . 6.000 4.937 4.235 5.883 . 0 0 "[ . 1 . 2]" 1
654 1 80 LEU QB 1 82 ILE MD 1.800 . 6.000 4.168 1.881 5.722 . 0 0 "[ . 1 . 2]" 1
655 1 45 GLY QA 1 81 GLN H 1.800 . 6.500 5.340 5.155 5.664 . 0 0 "[ . 1 . 2]" 1
656 1 48 LYS QB 1 81 GLN H 1.800 . 6.500 5.984 5.534 6.580 0.080 14 0 "[ . 1 . 2]" 1
657 1 48 LYS QD 1 81 GLN H 1.800 . 6.500 5.817 5.295 6.362 . 0 0 "[ . 1 . 2]" 1
658 1 77 ALA MB 1 81 GLN H 1.800 . 6.000 4.724 4.660 4.854 . 0 0 "[ . 1 . 2]" 1
659 1 78 GLN HA 1 81 GLN H 1.800 . 3.500 3.061 3.028 3.140 . 0 0 "[ . 1 . 2]" 1
660 1 78 GLN QB 1 81 GLN H 1.800 . 5.500 4.610 4.442 4.700 . 0 0 "[ . 1 . 2]" 1
661 1 80 LEU HA 1 81 GLN H 1.800 . 4.000 3.280 3.213 3.306 . 0 0 "[ . 1 . 2]" 1
662 1 80 LEU QB 1 81 GLN H 1.800 . 4.500 3.739 3.393 3.838 . 0 0 "[ . 1 . 2]" 1
663 1 80 LEU QD 1 81 GLN H 1.800 . 6.000 3.648 3.131 4.472 . 0 0 "[ . 1 . 2]" 1
664 1 81 GLN H 1 82 ILE H 1.800 . 3.500 2.707 2.572 2.764 . 0 0 "[ . 1 . 2]" 1
665 1 44 ILE HA 1 81 GLN QB 1.800 . 5.500 4.710 4.430 5.078 . 0 0 "[ . 1 . 2]" 1
666 1 77 ALA HA 1 82 ILE H 1.800 . 3.500 3.534 3.421 3.557 0.057 16 0 "[ . 1 . 2]" 1
667 1 77 ALA MB 1 82 ILE H 1.800 . 5.000 3.182 3.019 3.328 . 0 0 "[ . 1 . 2]" 1
668 1 81 GLN HA 1 82 ILE H 1.800 . 3.500 2.719 2.669 2.971 . 0 0 "[ . 1 . 2]" 1
669 1 82 ILE H 1 83 SER H 1.800 . 4.500 2.141 1.987 2.583 . 0 0 "[ . 1 . 2]" 1
670 1 80 LEU QB 1 82 ILE HA 1.800 . 6.000 5.027 4.289 5.578 . 0 0 "[ . 1 . 2]" 1
671 1 82 ILE HA 1 91 ILE HB 1.800 . 4.500 3.871 3.251 4.504 0.004 12 0 "[ . 1 . 2]" 1
672 1 77 ALA HA 1 83 SER H 1.800 . 4.000 3.934 3.737 4.015 0.015 15 0 "[ . 1 . 2]" 1
673 1 77 ALA MB 1 83 SER H 1.800 . 4.000 2.154 1.920 2.375 . 0 0 "[ . 1 . 2]" 1
674 1 81 GLN HA 1 83 SER H 1.800 . 4.000 3.675 3.499 4.015 0.015 12 0 "[ . 1 . 2]" 1
675 1 82 ILE HA 1 83 SER H 1.800 . 4.500 3.486 3.439 3.554 . 0 0 "[ . 1 . 2]" 1
676 1 82 ILE MD 1 83 SER H 1.800 . 6.500 4.781 3.489 5.143 . 0 0 "[ . 1 . 2]" 1
677 1 83 SER H 1 84 ASP QB 1.800 . 6.000 4.577 4.150 5.162 . 0 0 "[ . 1 . 2]" 1
678 1 83 SER H 1 84 ASP H 1.800 . 4.500 3.277 2.922 3.745 . 0 0 "[ . 1 . 2]" 1
679 1 83 SER HA 1 88 LEU QD 1.800 . 5.500 2.872 1.914 3.359 . 0 0 "[ . 1 . 2]" 1
680 1 77 ALA MB 1 84 ASP H 1.800 . 6.000 4.742 4.521 5.005 . 0 0 "[ . 1 . 2]" 1
681 1 81 GLN HA 1 84 ASP H 1.800 . 5.000 4.561 4.146 5.010 0.010 12 0 "[ . 1 . 2]" 1
682 1 83 SER HA 1 84 ASP H 1.800 . 4.500 2.432 2.317 2.548 . 0 0 "[ . 1 . 2]" 1
683 1 84 ASP H 1 85 TYR H 1.800 . 5.000 3.462 3.402 3.506 . 0 0 "[ . 1 . 2]" 1
684 1 84 ASP H 1 87 GLN H 1.800 . 5.000 5.004 4.919 5.024 0.024 18 0 "[ . 1 . 2]" 1
685 1 84 ASP H 1 88 LEU QD 1.800 . 5.500 4.143 3.642 4.570 . 0 0 "[ . 1 . 2]" 1
686 1 74 SER QB 1 85 TYR H 1.800 . 6.500 5.923 5.485 6.449 . 0 0 "[ . 1 . 2]" 1
687 1 74 SER HA 1 85 TYR H 1.800 . 6.000 6.019 6.004 6.051 0.051 20 0 "[ . 1 . 2]" 1
688 1 77 ALA MB 1 85 TYR H 1.800 . 6.500 5.334 5.139 5.842 . 0 0 "[ . 1 . 2]" 1
689 1 83 SER HA 1 85 TYR H 1.800 . 4.000 3.967 3.916 4.034 0.034 14 0 "[ . 1 . 2]" 1
690 1 83 SER QB 1 85 TYR H 1.800 . 5.500 3.972 3.581 4.355 . 0 0 "[ . 1 . 2]" 1
691 1 84 ASP HA 1 85 TYR H 1.800 . 3.500 2.564 2.552 2.574 . 0 0 "[ . 1 . 2]" 1
692 1 84 ASP QB 1 85 TYR H 1.800 . 4.500 3.920 3.917 3.926 . 0 0 "[ . 1 . 2]" 1
693 1 85 TYR H 1 86 GLN QG 1.800 . 6.000 5.835 5.714 5.968 . 0 0 "[ . 1 . 2]" 1
694 1 85 TYR H 1 86 GLN H 1.800 . 5.500 4.602 4.593 4.617 . 0 0 "[ . 1 . 2]" 1
695 1 85 TYR H 1 87 GLN H 1.800 . 5.000 4.788 4.751 4.824 . 0 0 "[ . 1 . 2]" 1
696 1 85 TYR H 1 88 LEU QB 1.800 . 5.000 3.356 3.213 3.539 . 0 0 "[ . 1 . 2]" 1
697 1 84 ASP HA 1 86 GLN H 1.800 . 6.500 6.205 6.146 6.290 . 0 0 "[ . 1 . 2]" 1
698 1 84 ASP QB 1 86 GLN H 1.800 . 6.500 5.559 5.471 5.687 . 0 0 "[ . 1 . 2]" 1
699 1 84 ASP H 1 86 GLN H 1.800 . 6.500 6.514 6.475 6.562 0.062 12 0 "[ . 1 . 2]" 1
700 1 85 TYR QB 1 86 GLN H 1.800 . 3.500 1.793 1.762 1.851 0.038 8 0 "[ . 1 . 2]" 1
701 1 86 GLN H 1 86 GLN QG 1.800 . 4.000 2.208 1.994 2.358 . 0 0 "[ . 1 . 2]" 1
702 1 86 GLN H 1 87 GLN H 1.800 . 4.000 2.791 2.780 2.799 . 0 0 "[ . 1 . 2]" 1
703 1 86 GLN H 1 88 LEU QB 1.800 . 6.000 5.180 4.950 5.346 . 0 0 "[ . 1 . 2]" 1
704 1 86 GLN H 1 88 LEU H 1.800 . 5.500 4.253 4.217 4.295 . 0 0 "[ . 1 . 2]" 1
705 1 86 GLN H 1 89 GLU QB 1.800 . 6.500 6.060 5.901 6.206 . 0 0 "[ . 1 . 2]" 1
706 1 86 GLN H 1 89 GLU H 1.800 . 6.000 5.700 5.609 5.798 . 0 0 "[ . 1 . 2]" 1
707 1 84 ASP HB2 1 87 GLN H 1.800 . 5.000 4.761 4.614 4.988 . 0 0 "[ . 1 . 2]" 1
708 1 84 ASP HB3 1 87 GLN H 1.800 . 4.500 4.478 4.317 4.591 0.091 7 0 "[ . 1 . 2]" 1
709 1 86 GLN HA 1 87 GLN H 1.800 . 4.500 3.502 3.498 3.506 . 0 0 "[ . 1 . 2]" 1
710 1 86 GLN HG2 1 87 GLN H 1.800 . 4.500 2.534 2.079 3.134 . 0 0 "[ . 1 . 2]" 1
711 1 86 GLN HG3 1 87 GLN H 1.800 . 4.500 2.564 2.129 3.011 . 0 0 "[ . 1 . 2]" 1
712 1 84 ASP QB 1 87 GLN HA 1.800 . 6.000 5.014 4.912 5.166 . 0 0 "[ . 1 . 2]" 1
713 1 86 GLN QG 1 87 GLN HA 1.800 . 4.000 3.262 3.097 3.487 . 0 0 "[ . 1 . 2]" 1
714 1 87 GLN QB 1 91 ILE MD 1.800 . 5.500 2.930 1.994 4.345 . 0 0 "[ . 1 . 2]" 1
715 1 84 ASP HB2 1 88 LEU H 1.800 . 5.000 4.444 4.273 4.664 . 0 0 "[ . 1 . 2]" 1
716 1 84 ASP HB3 1 88 LEU H 1.800 . 5.000 5.015 4.927 5.081 0.081 16 0 "[ . 1 . 2]" 1
717 1 86 GLN QB 1 88 LEU H 1.800 . 6.000 4.799 4.717 4.866 . 0 0 "[ . 1 . 2]" 1
718 1 86 GLN QG 1 88 LEU H 1.800 . 5.000 4.378 4.328 4.432 . 0 0 "[ . 1 . 2]" 1
719 1 87 GLN H 1 88 LEU H 1.800 . 4.500 2.699 2.674 2.717 . 0 0 "[ . 1 . 2]" 1
720 1 88 LEU H 1 92 TYR H 1.800 . 6.000 5.899 5.802 5.949 . 0 0 "[ . 1 . 2]" 1
721 1 87 GLN QB 1 89 GLU H 1.800 . 5.500 4.554 4.505 4.608 . 0 0 "[ . 1 . 2]" 1
722 1 89 GLU H 1 91 ILE HB 1.800 . 5.500 5.287 5.118 5.425 . 0 0 "[ . 1 . 2]" 1
723 1 86 GLN QB 1 90 SER H 1.800 . 6.500 5.740 5.585 5.859 . 0 0 "[ . 1 . 2]" 1
724 1 86 GLN QG 1 90 SER H 1.800 . 6.500 5.656 5.433 6.037 . 0 0 "[ . 1 . 2]" 1
725 1 87 GLN HA 1 90 SER H 1.800 . 3.500 3.236 3.178 3.302 . 0 0 "[ . 1 . 2]" 1
726 1 87 GLN QB 1 90 SER H 1.800 . 6.000 4.611 4.362 4.846 . 0 0 "[ . 1 . 2]" 1
727 1 87 GLN H 1 90 SER H 1.800 . 5.500 5.406 5.304 5.515 0.015 14 0 "[ . 1 . 2]" 1
728 1 88 LEU QB 1 90 SER H 1.800 . 6.000 5.206 4.920 5.365 . 0 0 "[ . 1 . 2]" 1
729 1 89 GLU QB 1 90 SER H 1.800 . 4.000 2.576 2.465 2.679 . 0 0 "[ . 1 . 2]" 1
730 1 89 GLU QG 1 90 SER H 1.800 . 5.000 4.174 3.558 4.411 . 0 0 "[ . 1 . 2]" 1
731 1 90 SER H 1 91 ILE MD 1.800 . 6.500 4.549 4.016 5.127 . 0 0 "[ . 1 . 2]" 1
732 1 90 SER H 1 91 ILE H 1.800 . 3.500 2.611 2.590 2.638 . 0 0 "[ . 1 . 2]" 1
733 1 90 SER H 1 92 TYR QB 1.800 . 6.000 4.930 4.856 4.996 . 0 0 "[ . 1 . 2]" 1
734 1 90 SER H 1 92 TYR H 1.800 . 4.500 4.094 4.062 4.144 . 0 0 "[ . 1 . 2]" 1
735 1 90 SER H 1 93 PHE H 1.800 . 5.000 4.681 4.630 4.730 . 0 0 "[ . 1 . 2]" 1
736 1 90 SER H 1 93 PHE HB2 1.800 . 6.000 5.207 4.976 5.459 . 0 0 "[ . 1 . 2]" 1
737 1 90 SER H 1 93 PHE HB3 1.800 . 6.000 5.571 5.231 5.907 . 0 0 "[ . 1 . 2]" 1
738 1 90 SER H 1 94 ARG QD 1.800 . 6.500 5.764 5.325 6.538 0.038 15 0 "[ . 1 . 2]" 1
739 1 90 SER H 1 94 ARG H 1.800 . 6.000 5.968 5.899 6.018 0.018 1 0 "[ . 1 . 2]" 1
740 1 90 SER HA 1 93 PHE QB 1.800 . 4.000 2.853 2.737 2.965 . 0 0 "[ . 1 . 2]" 1
741 1 87 GLN H 1 91 ILE H 1.800 . 6.500 6.439 6.401 6.481 . 0 0 "[ . 1 . 2]" 1
742 1 89 GLU QB 1 91 ILE H 1.800 . 6.000 4.703 4.606 4.770 . 0 0 "[ . 1 . 2]" 1
743 1 90 SER HA 1 91 ILE H 1.800 . 4.500 3.540 3.532 3.543 . 0 0 "[ . 1 . 2]" 1
744 1 91 ILE H 1 92 TYR H 1.800 . 4.000 2.640 2.627 2.669 . 0 0 "[ . 1 . 2]" 1
745 1 91 ILE H 1 92 TYR QB 1.800 . 5.000 4.404 4.388 4.431 . 0 0 "[ . 1 . 2]" 1
746 1 91 ILE H 1 93 PHE H 1.800 . 4.500 4.100 4.057 4.163 . 0 0 "[ . 1 . 2]" 1
747 1 91 ILE H 1 93 PHE HB2 1.800 . 6.000 5.602 5.284 5.890 . 0 0 "[ . 1 . 2]" 1
748 1 91 ILE H 1 93 PHE HB3 1.800 . 6.000 5.529 5.240 5.829 . 0 0 "[ . 1 . 2]" 1
749 1 91 ILE H 1 95 ILE HB 1.800 . 6.500 6.652 6.571 6.675 0.175 16 0 "[ . 1 . 2]" 1
750 1 91 ILE H 1 95 ILE MD 1.800 . 6.500 5.272 5.124 5.411 . 0 0 "[ . 1 . 2]" 1
751 1 91 ILE H 1 95 ILE H 1.800 . 6.000 5.907 5.862 5.965 . 0 0 "[ . 1 . 2]" 1
752 1 83 SER HA 1 92 TYR H 1.800 . 6.000 6.072 6.026 6.105 0.105 9 0 "[ . 1 . 2]" 1
753 1 88 LEU QB 1 92 TYR H 1.800 . 6.000 4.742 4.496 5.075 . 0 0 "[ . 1 . 2]" 1
754 1 89 GLU QB 1 92 TYR H 1.800 . 6.000 5.060 4.997 5.115 . 0 0 "[ . 1 . 2]" 1
755 1 90 SER HA 1 92 TYR H 1.800 . 4.500 4.521 4.481 4.550 0.050 9 0 "[ . 1 . 2]" 1
756 1 91 ILE HB 1 92 TYR H 1.800 . 5.000 2.581 2.563 2.602 . 0 0 "[ . 1 . 2]" 1
757 1 92 TYR H 1 93 PHE H 1.800 . 3.500 2.622 2.593 2.665 . 0 0 "[ . 1 . 2]" 1
758 1 92 TYR H 1 94 ARG QB 1.800 . 6.500 5.217 5.025 5.913 . 0 0 "[ . 1 . 2]" 1
759 1 92 TYR H 1 94 ARG QD 1.800 . 6.000 5.558 5.198 5.978 . 0 0 "[ . 1 . 2]" 1
760 1 92 TYR H 1 94 ARG H 1.800 . 4.500 4.314 4.278 4.337 . 0 0 "[ . 1 . 2]" 1
761 1 92 TYR H 1 95 ILE MD 1.800 . 6.000 4.214 4.021 4.575 . 0 0 "[ . 1 . 2]" 1
762 1 89 GLU QB 1 93 PHE H 1.800 . 6.000 5.069 4.893 5.286 . 0 0 "[ . 1 . 2]" 1
763 1 90 SER HA 1 93 PHE H 1.800 . 4.000 3.594 3.539 3.657 . 0 0 "[ . 1 . 2]" 1
764 1 91 ILE HB 1 93 PHE H 1.800 . 5.000 5.001 4.963 5.059 0.059 2 0 "[ . 1 . 2]" 1
765 1 92 TYR HA 1 93 PHE H 1.800 . 4.500 3.531 3.523 3.542 . 0 0 "[ . 1 . 2]" 1
766 1 92 TYR QB 1 93 PHE H 1.800 . 5.000 2.609 2.511 2.736 . 0 0 "[ . 1 . 2]" 1
767 1 93 PHE H 1 93 PHE HB2 1.800 . 3.500 2.324 2.153 2.515 . 0 0 "[ . 1 . 2]" 1
768 1 93 PHE H 1 94 ARG H 1.800 . 3.500 2.720 2.703 2.732 . 0 0 "[ . 1 . 2]" 1
769 1 93 PHE H 1 95 ILE HB 1.800 . 5.000 4.964 4.892 5.019 0.019 6 0 "[ . 1 . 2]" 1
770 1 93 PHE H 1 95 ILE MD 1.800 . 6.500 5.336 5.133 5.472 . 0 0 "[ . 1 . 2]" 1
771 1 93 PHE HA 1 95 ILE HB 1.800 . 5.500 5.430 5.322 5.539 0.039 6 0 "[ . 1 . 2]" 1
772 1 91 ILE HA 1 94 ARG H 1.800 . 4.000 3.709 3.664 3.736 . 0 0 "[ . 1 . 2]" 1
773 1 91 ILE HB 1 94 ARG H 1.800 . 6.000 5.781 5.744 5.820 . 0 0 "[ . 1 . 2]" 1
774 1 92 TYR HA 1 94 ARG H 1.800 . 5.000 4.726 4.677 4.757 . 0 0 "[ . 1 . 2]" 1
775 1 92 TYR QB 1 94 ARG H 1.800 . 5.500 4.903 4.822 4.993 . 0 0 "[ . 1 . 2]" 1
776 1 93 PHE HB2 1 94 ARG H 1.800 . 4.500 3.568 3.331 3.749 . 0 0 "[ . 1 . 2]" 1
777 1 93 PHE HB3 1 94 ARG H 1.800 . 4.500 2.397 2.355 2.471 . 0 0 "[ . 1 . 2]" 1
778 1 94 ARG H 1 95 ILE HB 1.800 . 5.000 4.737 4.598 4.779 . 0 0 "[ . 1 . 2]" 1
779 1 94 ARG H 1 95 ILE MD 1.800 . 6.500 5.169 4.031 5.335 . 0 0 "[ . 1 . 2]" 1
780 1 94 ARG H 1 95 ILE H 1.800 . 3.500 2.621 2.598 2.652 . 0 0 "[ . 1 . 2]" 1
781 1 94 ARG H 1 96 LEU H 1.800 . 4.000 3.977 3.932 4.027 0.027 19 0 "[ . 1 . 2]" 1
782 1 94 ARG H 1 97 LEU H 1.800 . 5.000 4.794 4.758 4.861 . 0 0 "[ . 1 . 2]" 1
783 1 94 ARG HA 1 95 ILE HB 1.800 . 6.000 5.765 5.657 5.797 . 0 0 "[ . 1 . 2]" 1
784 1 91 ILE HA 1 95 ILE H 1.800 . 4.000 4.035 3.933 4.103 0.103 19 0 "[ . 1 . 2]" 1
785 1 92 TYR HA 1 95 ILE H 1.800 . 4.000 3.557 3.519 3.605 . 0 0 "[ . 1 . 2]" 1
786 1 92 TYR H 1 95 ILE H 1.800 . 5.000 4.651 4.635 4.712 . 0 0 "[ . 1 . 2]" 1
787 1 93 PHE QB 1 95 ILE H 1.800 . 5.500 4.478 4.425 4.550 . 0 0 "[ . 1 . 2]" 1
788 1 93 PHE H 1 95 ILE H 1.800 . 4.000 3.912 3.863 3.996 . 0 0 "[ . 1 . 2]" 1
789 1 94 ARG HA 1 95 ILE H 1.800 . 4.500 3.502 3.481 3.525 . 0 0 "[ . 1 . 2]" 1
790 1 94 ARG QB 1 95 ILE H 1.800 . 4.000 2.919 2.715 3.498 . 0 0 "[ . 1 . 2]" 1
791 1 94 ARG QD 1 95 ILE H 1.800 . 5.500 4.517 4.190 4.945 . 0 0 "[ . 1 . 2]" 1
792 1 95 ILE H 1 95 ILE HB 1.800 . 4.000 2.348 2.191 2.380 . 0 0 "[ . 1 . 2]" 1
793 1 95 ILE H 1 95 ILE MD 1.800 . 5.000 3.547 2.356 3.684 . 0 0 "[ . 1 . 2]" 1
794 1 95 ILE H 1 96 LEU H 1.800 . 4.000 2.418 2.361 2.478 . 0 0 "[ . 1 . 2]" 1
795 1 95 ILE H 1 97 LEU H 1.800 . 4.000 3.806 3.767 3.844 . 0 0 "[ . 1 . 2]" 1
796 1 92 TYR HA 1 96 LEU H 1.800 . 4.500 4.114 4.031 4.205 . 0 0 "[ . 1 . 2]" 1
797 1 92 TYR QB 1 96 LEU H 1.800 . 6.500 5.118 4.766 5.304 . 0 0 "[ . 1 . 2]" 1
798 1 93 PHE QB 1 96 LEU H 1.800 . 5.500 4.800 4.766 4.843 . 0 0 "[ . 1 . 2]" 1
799 1 94 ARG HA 1 96 LEU H 1.800 . 4.500 4.149 4.124 4.196 . 0 0 "[ . 1 . 2]" 1
800 1 94 ARG QD 1 96 LEU H 1.800 . 6.500 6.121 5.344 6.511 0.011 9 0 "[ . 1 . 2]" 1
801 1 95 ILE HA 1 96 LEU H 1.800 . 4.000 3.466 3.460 3.480 . 0 0 "[ . 1 . 2]" 1
802 1 95 ILE MD 1 96 LEU H 1.800 . 6.000 4.828 4.254 4.886 . 0 0 "[ . 1 . 2]" 1
803 1 96 LEU H 1 97 LEU H 1.800 . 4.000 2.310 2.290 2.343 . 0 0 "[ . 1 . 2]" 1
804 1 96 LEU H 1 100 GLU QB 1.800 . 6.500 4.746 4.570 5.132 . 0 0 "[ . 1 . 2]" 1
805 1 96 LEU H 1 101 ARG QB 1.800 . 6.500 5.642 5.251 5.787 . 0 0 "[ . 1 . 2]" 1
806 1 32 LYS HA 1 97 LEU H 1.800 . 6.500 6.569 6.537 6.607 0.107 5 0 "[ . 1 . 2]" 1
807 1 28 ILE MD 1 97 LEU H 1.800 . 6.500 6.039 4.969 6.468 . 0 0 "[ . 1 . 2]" 1
808 1 93 PHE QB 1 97 LEU H 1.800 . 6.500 5.412 5.302 5.519 . 0 0 "[ . 1 . 2]" 1
809 1 93 PHE H 1 97 LEU H 1.800 . 6.500 6.142 6.112 6.200 . 0 0 "[ . 1 . 2]" 1
810 1 95 ILE HB 1 97 LEU H 1.800 . 5.000 4.974 4.938 5.031 0.031 8 0 "[ . 1 . 2]" 1
811 1 97 LEU H 1 100 GLU H 1.800 . 5.000 4.835 4.695 4.967 . 0 0 "[ . 1 . 2]" 1
812 1 97 LEU H 1 100 GLU QB 1.800 . 5.000 3.463 3.221 3.724 . 0 0 "[ . 1 . 2]" 1
813 1 97 LEU H 1 101 ARG HA 1.800 . 6.500 6.526 6.194 6.592 0.092 9 0 "[ . 1 . 2]" 1
814 1 97 LEU H 1 101 ARG QB 1.800 . 6.500 4.830 4.478 4.952 . 0 0 "[ . 1 . 2]" 1
815 1 97 LEU H 1 101 ARG QG 1.800 . 6.500 5.445 5.150 5.574 . 0 0 "[ . 1 . 2]" 1
816 1 98 PRO HA 1 99 TYR H 1.800 . 4.000 3.547 3.535 3.568 . 0 0 "[ . 1 . 2]" 1
817 1 99 TYR H 1 100 GLU H 1.800 . 4.000 2.597 2.553 2.620 . 0 0 "[ . 1 . 2]" 1
818 1 99 TYR H 1 101 ARG QD 1.800 . 6.000 5.326 5.045 5.985 . 0 0 "[ . 1 . 2]" 1
819 1 99 TYR H 1 101 ARG QG 1.800 . 6.000 4.123 4.033 4.357 . 0 0 "[ . 1 . 2]" 1
820 1 99 TYR HA 1 101 ARG QB 1.800 . 6.500 6.204 6.143 6.263 . 0 0 "[ . 1 . 2]" 1
821 1 99 TYR HA 1 101 ARG QD 1.800 . 6.500 5.788 5.031 6.257 . 0 0 "[ . 1 . 2]" 1
822 1 98 PRO HA 1 100 GLU H 1.800 . 5.000 4.663 4.622 4.682 . 0 0 "[ . 1 . 2]" 1
823 1 99 TYR HA 1 100 GLU H 1.800 . 4.000 3.544 3.530 3.548 . 0 0 "[ . 1 . 2]" 1
824 1 100 GLU H 1 101 ARG QD 1.800 . 6.000 5.557 5.370 6.006 0.006 17 0 "[ . 1 . 2]" 1
825 1 100 GLU H 1 101 ARG HG2 1.800 . 5.500 4.574 4.101 5.448 . 0 0 "[ . 1 . 2]" 1
826 1 100 GLU H 1 101 ARG HG3 1.800 . 6.000 5.123 4.056 5.832 . 0 0 "[ . 1 . 2]" 1
827 1 100 GLU H 1 101 ARG H 1.800 . 4.000 2.698 2.683 2.707 . 0 0 "[ . 1 . 2]" 1
828 1 100 GLU H 1 102 HIS QB 1.800 . 5.500 4.686 4.598 4.751 . 0 0 "[ . 1 . 2]" 1
829 1 100 GLU H 1 102 HIS H 1.800 . 4.000 3.939 3.879 3.968 . 0 0 "[ . 1 . 2]" 1
830 1 98 PRO HA 1 101 ARG H 1.800 . 4.000 3.857 3.816 3.944 . 0 0 "[ . 1 . 2]" 1
831 1 99 TYR H 1 101 ARG H 1.800 . 4.500 4.186 4.134 4.238 . 0 0 "[ . 1 . 2]" 1
832 1 100 GLU QB 1 101 ARG H 1.800 . 5.300 2.430 2.355 2.593 . 0 0 "[ . 1 . 2]" 1
833 1 101 ARG H 1 101 ARG QD 1.800 . 5.800 3.838 3.685 4.116 . 0 0 "[ . 1 . 2]" 1
834 1 101 ARG H 1 101 ARG QG 1.800 . 5.800 2.298 2.193 2.494 . 0 0 "[ . 1 . 2]" 1
835 1 101 ARG H 1 102 HIS QB 1.800 . 5.500 4.397 4.296 4.450 . 0 0 "[ . 1 . 2]" 1
836 1 101 ARG H 1 104 ILE MD 1.800 . 5.500 4.357 4.093 5.281 . 0 0 "[ . 1 . 2]" 1
837 1 101 ARG H 1 105 SER H 1.800 . 6.000 5.921 5.869 6.005 0.005 7 0 "[ . 1 . 2]" 1
838 1 98 PRO HA 1 102 HIS H 1.800 . 4.000 3.926 3.836 4.019 0.019 15 0 "[ . 1 . 2]" 1
839 1 100 GLU HA 1 102 HIS H 1.800 . 4.500 4.319 4.235 4.349 . 0 0 "[ . 1 . 2]" 1
840 1 100 GLU QB 1 102 HIS H 1.800 . 6.000 4.540 4.447 4.600 . 0 0 "[ . 1 . 2]" 1
841 1 101 ARG QD 1 102 HIS H 1.800 . 5.000 3.684 2.580 4.287 . 0 0 "[ . 1 . 2]" 1
842 1 101 ARG H 1 102 HIS H 1.800 . 5.300 2.614 2.536 2.660 . 0 0 "[ . 1 . 2]" 1
843 1 102 HIS H 1 105 SER H 1.800 . 4.500 4.476 4.441 4.517 0.017 4 0 "[ . 1 . 2]" 1
844 1 100 GLU HA 1 103 MET H 1.800 . 4.000 3.611 3.506 3.748 . 0 0 "[ . 1 . 2]" 1
845 1 100 GLU QB 1 103 MET H 1.800 . 6.000 5.078 4.971 5.192 . 0 0 "[ . 1 . 2]" 1
846 1 101 ARG QG 1 103 MET H 1.800 . 5.500 4.485 4.359 4.621 . 0 0 "[ . 1 . 2]" 1
847 1 102 HIS QB 1 103 MET H 1.800 . 3.500 2.563 2.457 2.658 . 0 0 "[ . 1 . 2]" 1
848 1 103 MET H 1 105 SER H 1.800 . 4.000 3.832 3.702 3.898 . 0 0 "[ . 1 . 2]" 1
849 1 100 GLU HA 1 104 ILE H 1.800 . 4.500 4.310 4.130 4.501 0.001 16 0 "[ . 1 . 2]" 1
850 1 101 ARG HA 1 104 ILE H 1.800 . 4.000 3.622 3.556 3.666 . 0 0 "[ . 1 . 2]" 1
851 1 101 ARG QG 1 104 ILE H 1.800 . 6.000 5.325 5.119 5.528 . 0 0 "[ . 1 . 2]" 1
852 1 102 HIS H 1 104 ILE H 1.800 . 4.500 4.155 4.057 4.207 . 0 0 "[ . 1 . 2]" 1
853 1 103 MET H 1 104 ILE H 1.800 . 3.500 2.737 2.653 2.756 . 0 0 "[ . 1 . 2]" 1
854 1 104 ILE HB 1 107 GLU QB 1.800 . 5.000 4.748 3.887 4.999 . 0 0 "[ . 1 . 2]" 1
855 1 100 GLU QB 1 104 ILE MD 1.800 . 6.500 4.390 3.560 5.937 . 0 0 "[ . 1 . 2]" 1
856 1 101 ARG QG 1 104 ILE MD 1.800 . 6.500 4.735 4.592 5.032 . 0 0 "[ . 1 . 2]" 1
857 1 102 HIS HA 1 104 ILE MD 1.800 . 6.500 5.678 4.830 5.849 . 0 0 "[ . 1 . 2]" 1
858 1 101 ARG HA 1 105 SER H 1.800 . 4.500 4.099 4.008 4.231 . 0 0 "[ . 1 . 2]" 1
859 1 101 ARG QB 1 105 SER H 1.800 . 6.000 4.891 4.780 5.021 . 0 0 "[ . 1 . 2]" 1
860 1 101 ARG QG 1 105 SER H 1.800 . 5.500 5.124 4.874 5.533 0.033 18 0 "[ . 1 . 2]" 1
861 1 102 HIS HA 1 105 SER H 1.800 . 3.500 3.302 3.187 3.381 . 0 0 "[ . 1 . 2]" 1
862 1 102 HIS QB 1 105 SER H 1.800 . 5.500 4.702 4.557 4.834 . 0 0 "[ . 1 . 2]" 1
863 1 104 ILE HA 1 105 SER H 1.800 . 4.000 3.443 3.381 3.476 . 0 0 "[ . 1 . 2]" 1
864 1 104 ILE HB 1 105 SER H 1.800 . 4.500 4.049 3.971 4.174 . 0 0 "[ . 1 . 2]" 1
865 1 104 ILE MG 1 105 SER H 1.800 . 6.000 3.972 3.890 4.080 . 0 0 "[ . 1 . 2]" 1
866 1 104 ILE MD 1 105 SER H 1.800 . 5.000 4.021 2.891 4.313 . 0 0 "[ . 1 . 2]" 1
867 1 104 ILE H 1 105 SER H 1.800 . 5.000 2.418 2.326 2.459 . 0 0 "[ . 1 . 2]" 1
868 1 105 SER H 1 107 GLU QB 1.800 . 6.500 5.783 5.191 5.981 . 0 0 "[ . 1 . 2]" 1
869 1 105 SER H 1 107 GLU H 1.800 . 4.500 4.342 4.264 4.407 . 0 0 "[ . 1 . 2]" 1
870 1 102 HIS H 1 106 GLN H 1.800 . 6.500 6.486 6.395 6.537 0.037 4 0 "[ . 1 . 2]" 1
871 1 104 ILE HA 1 106 GLN H 1.800 . 4.000 3.909 3.800 3.985 . 0 0 "[ . 1 . 2]" 1
872 1 104 ILE HB 1 106 GLN H 1.800 . 5.500 5.453 5.317 5.517 0.017 4 0 "[ . 1 . 2]" 1
873 1 106 GLN H 1 107 GLU HB3 1.800 . 6.000 5.542 5.085 5.762 . 0 0 "[ . 1 . 2]" 1
874 1 106 GLN H 1 107 GLU HB2 1.800 . 6.000 5.013 4.659 5.176 . 0 0 "[ . 1 . 2]" 1
875 1 106 GLN HA 1 109 ILE MG 1.800 . 5.000 3.224 2.323 4.210 . 0 0 "[ . 1 . 2]" 1
876 1 104 ILE HA 1 107 GLU H 1.800 . 4.000 3.513 3.357 3.631 . 0 0 "[ . 1 . 2]" 1
877 1 104 ILE HB 1 107 GLU H 1.800 . 5.000 4.907 4.741 5.001 0.001 15 0 "[ . 1 . 2]" 1
878 1 106 GLN HA 1 107 GLU H 1.800 . 5.300 3.526 3.519 3.544 . 0 0 "[ . 1 . 2]" 1
879 1 106 GLN QB 1 107 GLU H 1.800 . 3.300 2.689 2.539 2.780 . 0 0 "[ . 1 . 2]" 1
880 1 107 GLU H 1 107 GLU QB 1.800 . 3.300 2.381 2.080 2.463 . 0 0 "[ . 1 . 2]" 1
881 1 105 SER H 1 108 GLY H 1.800 . 5.000 4.999 4.942 5.008 0.008 19 0 "[ . 1 . 2]" 1
882 1 106 GLN HA 1 108 GLY H 1.800 . 4.000 3.994 3.955 4.008 0.008 14 0 "[ . 1 . 2]" 1
883 1 106 GLN QB 1 108 GLY H 1.800 . 5.500 4.480 4.419 4.512 . 0 0 "[ . 1 . 2]" 1
884 1 108 GLY H 1 109 ILE HB 1.800 . 6.000 5.661 5.490 6.011 0.011 1 0 "[ . 1 . 2]" 1
885 1 108 GLY H 1 109 ILE QG 1.800 . 6.000 4.049 3.487 5.009 . 0 0 "[ . 1 . 2]" 1
886 1 108 GLY H 1 109 ILE MG 1.800 . 6.000 3.525 3.278 5.343 . 0 0 "[ . 1 . 2]" 1
887 1 106 GLN HA 1 109 ILE H 1.800 . 5.000 4.942 4.544 5.004 0.004 18 0 "[ . 1 . 2]" 1
888 1 107 GLU H 1 109 ILE H 1.800 . 5.500 4.933 4.724 5.502 0.002 20 0 "[ . 1 . 2]" 1
889 1 109 ILE H 1 109 ILE HB 1.800 . 4.000 3.567 2.809 3.648 . 0 0 "[ . 1 . 2]" 1
890 1 109 ILE H 1 109 ILE QG 1.800 . 5.000 2.021 1.919 2.121 . 0 0 "[ . 1 . 2]" 1
891 1 109 ILE H 1 109 ILE MG 1.800 . 5.000 2.505 2.170 3.795 . 0 0 "[ . 1 . 2]" 1
892 1 109 ILE H 1 110 LYS QB 1.800 . 6.000 4.506 3.552 4.884 . 0 0 "[ . 1 . 2]" 1
893 1 109 ILE H 1 110 LYS QD 1.800 . 6.000 4.570 3.193 6.000 . 0 0 "[ . 1 . 2]" 1
894 1 109 ILE MG 1 110 LYS QE 1.800 . 6.500 6.020 5.318 6.503 0.003 13 0 "[ . 1 . 2]" 1
895 1 109 ILE HA 1 110 LYS H 1.800 . 4.300 3.432 3.197 3.455 . 0 0 "[ . 1 . 2]" 1
896 1 109 ILE HB 1 110 LYS H 1.800 . 4.000 3.881 3.711 4.008 0.008 12 0 "[ . 1 . 2]" 1
897 1 109 ILE MG 1 110 LYS H 1.800 . 6.000 4.144 3.967 4.344 . 0 0 "[ . 1 . 2]" 1
898 1 109 ILE QG 1 110 LYS H 1.800 . 4.000 2.403 2.128 4.014 0.014 20 0 "[ . 1 . 2]" 1
899 1 110 LYS H 1 110 LYS QB 1.800 . 3.800 2.258 2.039 2.569 . 0 0 "[ . 1 . 2]" 1
900 1 108 GLY QA 1 110 LYS QB 1.800 . 4.500 3.750 3.515 4.292 . 0 0 "[ . 1 . 2]" 1
901 1 109 ILE QG 1 110 LYS QB 1.800 . 6.500 3.917 3.352 5.557 . 0 0 "[ . 1 . 2]" 1
902 1 109 ILE MG 1 110 LYS QB 1.800 . 6.500 5.631 5.363 5.860 . 0 0 "[ . 1 . 2]" 1
903 1 108 GLY QA 1 110 LYS QD 1.800 . 6.500 4.623 2.073 5.803 . 0 0 "[ . 1 . 2]" 1
904 1 110 LYS QD 1 112 THR HB 1.800 . 6.500 6.248 6.108 6.514 0.014 13 0 "[ . 1 . 2]" 1
905 1 108 GLY QA 1 111 GLU H 1.800 . 4.500 3.686 3.579 4.521 0.021 20 0 "[ . 1 . 2]" 1
906 1 109 ILE HA 1 111 GLU H 1.800 . 4.000 3.647 3.264 3.958 . 0 0 "[ . 1 . 2]" 1
907 1 109 ILE HB 1 111 GLU H 1.800 . 5.500 5.138 5.007 5.464 . 0 0 "[ . 1 . 2]" 1
908 1 109 ILE QG 1 111 GLU H 1.800 . 6.000 4.579 4.381 5.666 . 0 0 "[ . 1 . 2]" 1
909 1 111 GLU H 1 112 THR HB 1.800 . 5.000 4.902 4.769 5.000 0.000 10 0 "[ . 1 . 2]" 1
910 1 111 GLU H 1 113 GLN QB 1.800 . 6.500 5.395 5.260 5.559 . 0 0 "[ . 1 . 2]" 1
911 1 111 GLU H 1 113 GLN H 1.800 . 4.500 4.446 4.390 4.502 0.002 13 0 "[ . 1 . 2]" 1
912 1 111 GLU H 1 114 ALA MB 1.800 . 6.500 4.732 4.613 4.840 . 0 0 "[ . 1 . 2]" 1
913 1 111 GLU H 1 114 ALA H 1.800 . 5.000 4.978 4.915 5.001 0.001 12 0 "[ . 1 . 2]" 1
914 1 109 ILE HA 1 112 THR H 1.800 . 3.500 3.233 3.190 3.391 . 0 0 "[ . 1 . 2]" 1
915 1 109 ILE HB 1 112 THR H 1.800 . 4.500 4.507 4.478 4.571 0.071 20 0 "[ . 1 . 2]" 1
916 1 109 ILE MG 1 112 THR H 1.800 . 6.500 4.768 3.020 5.025 . 0 0 "[ . 1 . 2]" 1
917 1 110 LYS HA 1 112 THR H 1.800 . 4.000 3.971 3.828 4.000 0.000 7 0 "[ . 1 . 2]" 1
918 1 110 LYS QB 1 112 THR H 1.800 . 5.500 4.694 4.474 5.013 . 0 0 "[ . 1 . 2]" 1
919 1 110 LYS QD 1 112 THR H 1.800 . 6.500 5.403 4.210 5.858 . 0 0 "[ . 1 . 2]" 1
920 1 110 LYS H 1 112 THR H 1.800 . 4.500 4.158 3.987 4.244 . 0 0 "[ . 1 . 2]" 1
921 1 111 GLU HB2 1 112 THR H 1.800 . 6.000 3.642 3.119 4.151 . 0 0 "[ . 1 . 2]" 1
922 1 111 GLU HB3 1 112 THR H 1.800 . 6.000 3.279 2.964 4.134 . 0 0 "[ . 1 . 2]" 1
923 1 112 THR H 1 113 GLN QB 1.800 . 6.000 4.426 4.334 4.654 . 0 0 "[ . 1 . 2]" 1
924 1 112 THR H 1 114 ALA MB 1.800 . 6.000 4.485 4.340 4.605 . 0 0 "[ . 1 . 2]" 1
925 1 112 THR HB 1 114 ALA MB 1.800 . 6.500 5.823 5.719 5.961 . 0 0 "[ . 1 . 2]" 1
926 1 109 ILE MG 1 112 THR MG 1.800 . 6.500 4.519 2.903 4.957 . 0 0 "[ . 1 . 2]" 1
927 1 109 ILE HA 1 113 GLN H 1.800 . 5.500 5.094 4.924 5.502 0.002 13 0 "[ . 1 . 2]" 1
928 1 109 ILE QG 1 113 GLN H 1.800 . 6.500 5.794 5.279 6.510 0.010 20 0 "[ . 1 . 2]" 1
929 1 110 LYS HA 1 113 GLN H 1.800 . 4.000 3.669 3.522 3.754 . 0 0 "[ . 1 . 2]" 1
930 1 113 GLN HA 1 115 LYS QB 1.800 . 6.500 5.067 4.297 6.180 . 0 0 "[ . 1 . 2]" 1
931 1 110 LYS HA 1 114 ALA H 1.800 . 5.000 4.923 4.696 5.001 0.001 13 0 "[ . 1 . 2]" 1
932 1 111 GLU HA 1 114 ALA H 1.800 . 3.500 3.406 3.191 3.500 . 0 0 "[ . 1 . 2]" 1
933 1 111 GLU QB 1 114 ALA H 1.800 . 6.000 4.810 4.667 4.938 . 0 0 "[ . 1 . 2]" 1
934 1 112 THR HB 1 114 ALA H 1.800 . 5.000 4.642 4.619 4.738 . 0 0 "[ . 1 . 2]" 1
935 1 112 THR MG 1 114 ALA H 1.800 . 6.000 4.758 4.667 4.850 . 0 0 "[ . 1 . 2]" 1
936 1 112 THR H 1 114 ALA H 1.800 . 4.000 3.831 3.787 3.863 . 0 0 "[ . 1 . 2]" 1
937 1 113 GLN HA 1 114 ALA H 1.800 . 3.300 3.440 3.440 3.441 0.141 12 0 "[ . 1 . 2]" 1
938 1 113 GLN QG 1 114 ALA H 1.800 . 5.000 4.483 4.213 4.660 . 0 0 "[ . 1 . 2]" 1
939 1 114 ALA H 1 114 ALA MB 1.800 . 3.500 2.139 2.024 2.250 . 0 0 "[ . 1 . 2]" 1
940 1 110 LYS HA 1 114 ALA MB 1.800 . 6.500 5.256 4.904 5.370 . 0 0 "[ . 1 . 2]" 1
941 1 110 LYS QB 1 114 ALA MB 1.800 . 6.500 4.761 4.331 5.184 . 0 0 "[ . 1 . 2]" 1
942 1 111 GLU QB 1 114 ALA MB 1.800 . 6.000 3.986 3.605 4.210 . 0 0 "[ . 1 . 2]" 1
943 1 111 GLU QB 1 115 LYS H 1.800 . 6.000 5.593 5.230 5.968 . 0 0 "[ . 1 . 2]" 1
944 1 112 THR HB 1 115 LYS H 1.800 . 5.500 5.452 5.384 5.501 0.001 13 0 "[ . 1 . 2]" 1
945 1 112 THR MG 1 115 LYS H 1.800 . 5.500 4.400 4.257 4.583 . 0 0 "[ . 1 . 2]" 1
946 1 113 GLN HA 1 115 LYS H 1.800 . 4.000 3.851 3.672 3.994 . 0 0 "[ . 1 . 2]" 1
947 1 113 GLN QB 1 115 LYS H 1.800 . 5.500 4.682 4.596 4.733 . 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 28
_Distance_constraint_stats_list.Viol_count 560
_Distance_constraint_stats_list.Viol_total 763.839
_Distance_constraint_stats_list.Viol_max 0.308
_Distance_constraint_stats_list.Viol_rms 0.0595
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0682
_Distance_constraint_stats_list.Viol_average_violations_only 0.0682
_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 50 ASN 1.361 0.056 12 0 "[ . 1 . 2]"
1 52 PHE 1.372 0.057 14 0 "[ . 1 . 2]"
1 53 TYR 1.372 0.061 5 0 "[ . 1 . 2]"
1 54 LEU 1.361 0.056 12 0 "[ . 1 . 2]"
1 55 TYR 0.487 0.028 12 0 "[ . 1 . 2]"
1 56 MET 1.372 0.057 14 0 "[ . 1 . 2]"
1 57 LEU 4.288 0.094 12 0 "[ . 1 . 2]"
1 59 GLN 0.487 0.028 12 0 "[ . 1 . 2]"
1 61 PHE 2.916 0.094 12 0 "[ . 1 . 2]"
1 87 GLN 3.017 0.128 15 0 "[ . 1 . 2]"
1 88 LEU 3.232 0.169 13 0 "[ . 1 . 2]"
1 89 GLU 2.046 0.082 17 0 "[ . 1 . 2]"
1 90 SER 0.701 0.044 3 0 "[ . 1 . 2]"
1 91 ILE 6.313 0.128 15 0 "[ . 1 . 2]"
1 92 TYR 8.735 0.259 17 0 "[ . 1 . 2]"
1 93 PHE 9.853 0.308 17 0 "[ . 1 . 2]"
1 94 ARG 0.701 0.044 3 0 "[ . 1 . 2]"
1 95 ILE 3.296 0.125 2 0 "[ . 1 . 2]"
1 96 LEU 5.504 0.259 17 0 "[ . 1 . 2]"
1 97 LEU 7.806 0.308 17 0 "[ . 1 . 2]"
1 98 PRO 3.722 0.143 17 0 "[ . 1 . 2]"
1 99 TYR 1.361 0.085 4 0 "[ . 1 . 2]"
1 102 HIS 3.722 0.143 17 0 "[ . 1 . 2]"
1 103 MET 1.361 0.085 4 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 50 ASN O 1 54 LEU H 2.000 . 2.000 2.026 2.013 2.044 0.044 14 0 "[ . 1 . 2]" 2
2 1 50 ASN O 1 54 LEU N 3.000 3.000 3.000 2.958 2.944 2.972 0.056 12 0 "[ . 1 . 2]" 2
3 1 52 PHE O 1 56 MET H 2.000 . 2.000 2.045 2.031 2.057 0.057 14 0 "[ . 1 . 2]" 2
4 1 52 PHE O 1 56 MET N 3.000 3.000 3.000 2.976 2.951 2.993 0.049 15 0 "[ . 1 . 2]" 2
5 1 53 TYR O 1 57 LEU H 2.000 . 2.000 2.025 2.017 2.051 0.051 12 0 "[ . 1 . 2]" 2
6 1 53 TYR O 1 57 LEU N 3.000 3.000 3.000 2.957 2.939 2.999 0.061 5 0 "[ . 1 . 2]" 2
7 1 55 TYR O 1 59 GLN H 2.000 . 2.000 2.020 2.015 2.028 0.028 12 0 "[ . 1 . 2]" 2
8 1 55 TYR O 1 59 GLN N 3.000 3.000 3.000 2.996 2.991 3.001 0.009 12 0 "[ . 1 . 2]" 2
9 1 57 LEU O 1 61 PHE H 2.000 . 2.000 2.080 2.070 2.094 0.094 12 0 "[ . 1 . 2]" 2
10 1 57 LEU O 1 61 PHE N 3.000 3.000 3.000 2.934 2.921 2.945 0.079 19 0 "[ . 1 . 2]" 2
11 1 87 GLN O 1 91 ILE H 2.000 . 2.000 2.092 2.061 2.128 0.128 15 0 "[ . 1 . 2]" 2
12 1 87 GLN O 1 91 ILE N 3.000 3.000 3.000 3.059 3.033 3.095 0.095 15 0 "[ . 1 . 2]" 2
13 1 88 LEU O 1 92 TYR H 2.000 . 2.000 1.968 1.944 1.993 0.056 13 0 "[ . 1 . 2]" 2
14 1 88 LEU O 1 92 TYR N 3.000 3.000 3.000 2.870 2.831 2.892 0.169 13 0 "[ . 1 . 2]" 2
15 1 89 GLU O 1 93 PHE H 2.000 . 2.000 2.067 2.054 2.082 0.082 17 0 "[ . 1 . 2]" 2
16 1 89 GLU O 1 93 PHE N 3.000 3.000 3.000 2.965 2.947 2.978 0.053 12 0 "[ . 1 . 2]" 2
17 1 90 SER O 1 94 ARG H 2.000 . 2.000 2.013 1.998 2.028 0.028 16 0 "[ . 1 . 2]" 2
18 1 90 SER O 1 94 ARG N 3.000 3.000 3.000 2.978 2.956 2.995 0.044 3 0 "[ . 1 . 2]" 2
19 1 91 ILE O 1 95 ILE H 2.000 . 2.000 2.069 2.023 2.096 0.096 19 0 "[ . 1 . 2]" 2
20 1 91 ILE O 1 95 ILE N 3.000 3.000 3.000 2.904 2.875 2.935 0.125 2 0 "[ . 1 . 2]" 2
21 1 92 TYR O 1 96 LEU H 2.000 . 2.000 2.061 2.031 2.088 0.088 19 0 "[ . 1 . 2]" 2
22 1 92 TYR O 1 96 LEU N 3.000 3.000 3.000 2.786 2.741 2.827 0.259 17 0 "[ . 1 . 2]" 2
23 1 93 PHE O 1 97 LEU H 2.000 . 2.000 2.260 2.200 2.308 0.308 17 0 "[ . 1 . 2]" 2
24 1 93 PHE O 1 97 LEU N 3.000 3.000 3.000 2.869 2.812 2.922 0.188 17 0 "[ . 1 . 2]" 2
25 1 98 PRO O 1 102 HIS H 2.000 . 2.000 2.098 2.066 2.143 0.143 17 0 "[ . 1 . 2]" 2
26 1 98 PRO O 1 102 HIS N 3.000 3.000 3.000 2.912 2.875 2.947 0.125 15 0 "[ . 1 . 2]" 2
27 1 99 TYR O 1 103 MET H 2.000 . 2.000 2.033 2.006 2.056 0.056 3 0 "[ . 1 . 2]" 2
28 1 99 TYR O 1 103 MET N 3.000 3.000 3.000 2.965 2.915 2.997 0.085 4 0 "[ . 1 . 2]" 2
stop_
save_