NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
528895 |
2l97   |
16653 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l97
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 1102
_Distance_constraint_stats_list.Viol_count 1134
_Distance_constraint_stats_list.Viol_total 649.877
_Distance_constraint_stats_list.Viol_max 0.631
_Distance_constraint_stats_list.Viol_rms 0.0117
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0287
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLY 0.103 0.095 20 0 "[ . 1 . 2]"
1 6 PHE 0.832 0.631 20 1 "[ . 1 . +]"
1 7 ALA 0.920 0.631 20 1 "[ . 1 . +]"
1 8 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ASP 0.293 0.293 14 0 "[ . 1 . 2]"
1 13 ALA 0.311 0.293 14 0 "[ . 1 . 2]"
1 14 ILE 0.441 0.145 4 0 "[ . 1 . 2]"
1 15 ASN 0.938 0.237 4 0 "[ . 1 . 2]"
1 16 ILE 0.973 0.237 4 0 "[ . 1 . 2]"
1 17 ILE 0.568 0.299 3 0 "[ . 1 . 2]"
1 18 GLU 0.368 0.190 10 0 "[ . 1 . 2]"
1 19 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LYS 0.001 0.001 17 0 "[ . 1 . 2]"
1 26 VAL 0.385 0.072 11 0 "[ . 1 . 2]"
1 27 THR 0.386 0.072 11 0 "[ . 1 . 2]"
1 28 ARG 0.035 0.016 19 0 "[ . 1 . 2]"
1 29 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ALA 0.423 0.087 15 0 "[ . 1 . 2]"
1 31 LEU 0.183 0.074 15 0 "[ . 1 . 2]"
1 32 GLY 0.409 0.087 15 0 "[ . 1 . 2]"
1 33 ILE 0.158 0.052 9 0 "[ . 1 . 2]"
1 34 GLN 0.647 0.039 12 0 "[ . 1 . 2]"
1 35 MET 1.104 0.087 11 0 "[ . 1 . 2]"
1 36 VAL 0.414 0.317 14 0 "[ . 1 . 2]"
1 37 ASN 4.522 0.317 14 0 "[ . 1 . 2]"
1 38 LEU 1.533 0.228 20 0 "[ . 1 . 2]"
1 39 SER 0.864 0.185 8 0 "[ . 1 . 2]"
1 40 ASN 0.636 0.112 11 0 "[ . 1 . 2]"
1 41 VAL 1.434 0.158 11 0 "[ . 1 . 2]"
1 42 SER 1.119 0.158 11 0 "[ . 1 . 2]"
1 43 THR 0.709 0.104 4 0 "[ . 1 . 2]"
1 44 SER 0.177 0.059 8 0 "[ . 1 . 2]"
1 45 ASP 0.283 0.046 11 0 "[ . 1 . 2]"
1 46 ILE 1.614 0.109 9 0 "[ . 1 . 2]"
1 47 ARG 0.079 0.046 11 0 "[ . 1 . 2]"
1 48 ARG 0.013 0.006 4 0 "[ . 1 . 2]"
1 49 LEU 1.308 0.126 17 0 "[ . 1 . 2]"
1 50 ASN 2.409 0.126 17 0 "[ . 1 . 2]"
1 51 ILE 0.017 0.017 18 0 "[ . 1 . 2]"
1 52 PRO 0.844 0.095 12 0 "[ . 1 . 2]"
1 53 SER 0.249 0.086 16 0 "[ . 1 . 2]"
1 54 ASN 0.701 0.092 1 0 "[ . 1 . 2]"
1 55 VAL 0.352 0.095 12 0 "[ . 1 . 2]"
1 56 THR 0.096 0.051 13 0 "[ . 1 . 2]"
1 57 SER 0.277 0.051 13 0 "[ . 1 . 2]"
1 58 GLY 1.746 0.188 20 0 "[ . 1 . 2]"
1 59 VAL 0.088 0.028 17 0 "[ . 1 . 2]"
1 60 ILE 1.088 0.087 11 0 "[ . 1 . 2]"
1 61 VAL 0.260 0.030 20 0 "[ . 1 . 2]"
1 62 ARG 1.717 0.130 5 0 "[ . 1 . 2]"
1 63 SER 0.910 0.039 12 0 "[ . 1 . 2]"
1 64 VAL 0.234 0.038 11 0 "[ . 1 . 2]"
1 65 GLN 0.386 0.052 9 0 "[ . 1 . 2]"
1 66 SER 0.036 0.032 6 0 "[ . 1 . 2]"
1 67 ASN 0.746 0.244 15 0 "[ . 1 . 2]"
1 68 MET 0.223 0.032 6 0 "[ . 1 . 2]"
1 69 PRO 0.327 0.048 9 0 "[ . 1 . 2]"
1 70 ALA 0.164 0.027 9 0 "[ . 1 . 2]"
1 71 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLY 0.433 0.161 1 0 "[ . 1 . 2]"
1 73 HIS 0.437 0.048 9 0 "[ . 1 . 2]"
1 74 LEU 0.841 0.161 1 0 "[ . 1 . 2]"
1 75 GLU 0.477 0.087 1 0 "[ . 1 . 2]"
1 76 LYS 0.581 0.037 6 0 "[ . 1 . 2]"
1 77 TYR 0.320 0.036 9 0 "[ . 1 . 2]"
1 78 ASP 1.159 0.062 18 0 "[ . 1 . 2]"
1 79 VAL 0.027 0.027 1 0 "[ . 1 . 2]"
1 80 ILE 0.105 0.030 1 0 "[ . 1 . 2]"
1 81 THR 0.075 0.023 8 0 "[ . 1 . 2]"
1 82 LYS 0.931 0.082 18 0 "[ . 1 . 2]"
1 83 VAL 1.325 0.129 15 0 "[ . 1 . 2]"
1 84 ASP 0.039 0.039 2 0 "[ . 1 . 2]"
1 85 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 LYS 0.022 0.022 20 0 "[ . 1 . 2]"
1 87 GLU 0.013 0.010 18 0 "[ . 1 . 2]"
1 88 ILE 0.795 0.164 17 0 "[ . 1 . 2]"
1 89 ALA 0.405 0.048 11 0 "[ . 1 . 2]"
1 90 SER 0.966 0.164 17 0 "[ . 1 . 2]"
1 91 SER 0.073 0.018 10 0 "[ . 1 . 2]"
1 92 THR 1.364 0.113 10 0 "[ . 1 . 2]"
1 93 ASP 0.704 0.113 10 0 "[ . 1 . 2]"
1 94 LEU 0.082 0.035 15 0 "[ . 1 . 2]"
1 95 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 LEU 0.040 0.028 13 0 "[ . 1 . 2]"
1 99 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 ASN 0.360 0.028 13 0 "[ . 1 . 2]"
1 101 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 SER 0.469 0.024 15 0 "[ . 1 . 2]"
1 103 ILE 0.106 0.015 19 0 "[ . 1 . 2]"
1 104 GLY 0.210 0.026 15 0 "[ . 1 . 2]"
1 105 ASP 0.159 0.024 15 0 "[ . 1 . 2]"
1 106 THR 0.153 0.023 3 0 "[ . 1 . 2]"
1 107 ILE 0.630 0.097 16 0 "[ . 1 . 2]"
1 108 LYS 2.910 0.362 19 0 "[ . 1 . 2]"
1 109 ILE 1.304 0.150 13 0 "[ . 1 . 2]"
1 110 THR 0.437 0.047 19 0 "[ . 1 . 2]"
1 111 TYR 0.075 0.019 16 0 "[ . 1 . 2]"
1 112 TYR 1.712 0.082 18 0 "[ . 1 . 2]"
1 113 ARG 1.053 0.151 16 0 "[ . 1 . 2]"
1 114 ASN 0.006 0.006 4 0 "[ . 1 . 2]"
1 115 GLY 0.823 0.057 1 0 "[ . 1 . 2]"
1 116 LYS 0.006 0.006 4 0 "[ . 1 . 2]"
1 117 GLU 0.122 0.041 13 0 "[ . 1 . 2]"
1 118 GLU 0.014 0.011 14 0 "[ . 1 . 2]"
1 119 THR 0.216 0.042 19 0 "[ . 1 . 2]"
1 120 THR 0.359 0.059 13 0 "[ . 1 . 2]"
1 121 SER 0.201 0.030 16 0 "[ . 1 . 2]"
1 122 ILE 0.046 0.027 18 0 "[ . 1 . 2]"
1 123 LYS 0.544 0.067 13 0 "[ . 1 . 2]"
1 124 LEU 0.184 0.023 3 0 "[ . 1 . 2]"
1 125 ASN 0.172 0.026 15 0 "[ . 1 . 2]"
1 126 LYS 0.107 0.019 3 0 "[ . 1 . 2]"
1 127 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 GLY H 1 4 LEU H 1.800 . 4.800 4.012 2.584 4.604 . 0 0 "[ . 1 . 2]" 1
2 1 2 GLU HA 1 3 GLY H 1.800 . 2.800 2.469 2.144 2.704 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLU QB 1 3 GLY H 1.800 . 5.000 2.607 2.033 4.041 . 0 0 "[ . 1 . 2]" 1
4 1 3 GLY QA 1 4 LEU H 1.800 . 3.000 2.216 2.112 2.647 . 0 0 "[ . 1 . 2]" 1
5 1 4 LEU H 1 4 LEU QB 1.800 . 4.000 2.807 2.255 3.316 . 0 0 "[ . 1 . 2]" 1
6 1 4 LEU QD 1 6 PHE HB2 1.800 . 6.300 5.303 2.178 6.114 . 0 0 "[ . 1 . 2]" 1
7 1 4 LEU H 1 5 GLY H 1.800 . 4.500 4.185 2.979 4.481 . 0 0 "[ . 1 . 2]" 1
8 1 5 GLY H 1 6 PHE H 1.800 . 4.300 3.565 2.097 4.306 0.006 20 0 "[ . 1 . 2]" 1
9 1 4 LEU HA 1 5 GLY H 1.800 . 3.000 2.399 2.143 2.678 . 0 0 "[ . 1 . 2]" 1
10 1 4 LEU QB 1 5 GLY H 1.800 . 4.300 2.931 2.067 3.975 . 0 0 "[ . 1 . 2]" 1
11 1 4 LEU QD 1 5 GLY H 1.800 . 4.800 2.898 1.985 4.564 . 0 0 "[ . 1 . 2]" 1
12 1 6 PHE H 1 6 PHE HA 1.800 . 3.000 2.889 2.779 2.947 . 0 0 "[ . 1 . 2]" 1
13 1 5 GLY QA 1 6 PHE H 1.800 . 3.500 2.296 2.110 2.853 . 0 0 "[ . 1 . 2]" 1
14 1 6 PHE H 1 7 ALA H 1.800 . 3.000 2.382 1.977 3.193 0.193 20 0 "[ . 1 . 2]" 1
15 1 6 PHE HA 1 7 ALA H 1.800 . 4.000 3.486 2.288 3.570 . 0 0 "[ . 1 . 2]" 1
16 1 7 ALA H 1 7 ALA HA 1.800 . 3.000 2.368 2.276 2.943 . 0 0 "[ . 1 . 2]" 1
17 1 6 PHE HB3 1 7 ALA H 1.800 . 3.500 2.896 2.246 4.131 0.631 20 1 "[ . 1 . +]" 1
18 1 7 ALA H 1 7 ALA MB 1.800 . 4.300 2.798 2.169 2.894 . 0 0 "[ . 1 . 2]" 1
19 1 5 GLY QA 1 7 ALA H 1.800 . 4.500 4.015 3.095 4.595 0.095 20 0 "[ . 1 . 2]" 1
20 1 7 ALA HA 1 8 ILE H 1.800 . 3.000 2.453 2.161 2.853 . 0 0 "[ . 1 . 2]" 1
21 1 7 ALA MB 1 8 ILE H 1.800 . 4.500 3.145 2.114 3.720 . 0 0 "[ . 1 . 2]" 1
22 1 7 ALA H 1 8 ILE H 1.800 . 4.700 3.735 2.738 4.568 . 0 0 "[ . 1 . 2]" 1
23 1 8 ILE H 1 8 ILE HB 1.800 . 3.300 2.707 2.531 3.155 . 0 0 "[ . 1 . 2]" 1
24 1 8 ILE H 1 8 ILE MG 1.800 . 4.800 3.093 1.949 3.888 . 0 0 "[ . 1 . 2]" 1
25 1 10 ALA H 1 11 ASN H 1.800 . 4.700 3.923 2.197 4.559 . 0 0 "[ . 1 . 2]" 1
26 1 9 PRO HA 1 10 ALA H 1.800 . 3.000 2.594 2.533 2.632 . 0 0 "[ . 1 . 2]" 1
27 1 9 PRO HD3 1 10 ALA H 1.800 . 5.500 5.418 5.391 5.461 . 0 0 "[ . 1 . 2]" 1
28 1 9 PRO HD2 1 10 ALA H 1.800 . 5.500 5.413 5.375 5.474 . 0 0 "[ . 1 . 2]" 1
29 1 9 PRO HB3 1 10 ALA H 1.800 . 3.500 3.247 3.214 3.305 . 0 0 "[ . 1 . 2]" 1
30 1 9 PRO HB2 1 10 ALA H 1.800 . 2.800 2.166 2.086 2.301 . 0 0 "[ . 1 . 2]" 1
31 1 10 ALA H 1 10 ALA MB 1.800 . 4.000 2.514 2.042 2.910 . 0 0 "[ . 1 . 2]" 1
32 1 11 ASN H 1 11 ASN HA 1.800 . 3.000 2.843 2.274 2.946 . 0 0 "[ . 1 . 2]" 1
33 1 10 ALA HA 1 11 ASN H 1.800 . 3.000 2.441 2.149 2.985 . 0 0 "[ . 1 . 2]" 1
34 1 11 ASN H 1 11 ASN QB 1.800 . 3.500 2.686 2.093 3.431 . 0 0 "[ . 1 . 2]" 1
35 1 10 ALA MB 1 11 ASN H 1.800 . 4.500 3.011 1.937 3.719 . 0 0 "[ . 1 . 2]" 1
36 1 11 ASN HA 1 12 ASP H 1.800 . 3.000 2.440 2.149 2.961 . 0 0 "[ . 1 . 2]" 1
37 1 12 ASP H 1 13 ALA H 1.800 . 4.000 3.593 2.731 4.293 0.293 14 0 "[ . 1 . 2]" 1
38 1 12 ASP HA 1 13 ALA H 1.800 . 3.000 2.336 2.139 2.911 . 0 0 "[ . 1 . 2]" 1
39 1 12 ASP QB 1 13 ALA H 1.800 . 4.800 3.663 2.264 4.021 . 0 0 "[ . 1 . 2]" 1
40 1 13 ALA H 1 13 ALA MB 1.800 . 3.300 2.153 2.060 2.279 . 0 0 "[ . 1 . 2]" 1
41 1 14 ILE H 1 15 ASN H 1.800 . 3.500 3.193 1.888 3.645 0.145 4 0 "[ . 1 . 2]" 1
42 1 13 ALA HA 1 14 ILE H 1.800 . 4.000 3.516 3.451 3.550 . 0 0 "[ . 1 . 2]" 1
43 1 14 ILE H 1 14 ILE HA 1.800 . 3.000 2.428 2.275 2.948 . 0 0 "[ . 1 . 2]" 1
44 1 13 ALA MB 1 14 ILE H 1.800 . 4.000 2.704 2.464 2.946 . 0 0 "[ . 1 . 2]" 1
45 1 12 ASP HA 1 14 ILE H 1.800 . 5.000 3.678 3.226 4.376 . 0 0 "[ . 1 . 2]" 1
46 1 14 ILE H 1 14 ILE QG 1.800 . 4.300 2.829 1.954 4.260 . 0 0 "[ . 1 . 2]" 1
47 1 14 ILE H 1 14 ILE MG 1.800 . 5.500 3.678 2.512 4.003 . 0 0 "[ . 1 . 2]" 1
48 1 14 ILE H 1 14 ILE MD 1.800 . 5.500 3.719 2.503 4.665 . 0 0 "[ . 1 . 2]" 1
49 1 14 ILE MD 1 15 ASN H 1.800 . 6.500 4.515 2.557 5.627 . 0 0 "[ . 1 . 2]" 1
50 1 15 ASN H 1 16 ILE HA 1.800 . 4.700 4.683 4.561 4.937 0.237 4 0 "[ . 1 . 2]" 1
51 1 13 ALA HA 1 15 ASN H 1.800 . 6.000 5.564 4.141 6.010 0.010 14 0 "[ . 1 . 2]" 1
52 1 16 ILE H 1 17 ILE H 1.800 . 4.500 4.088 2.141 4.510 0.010 8 0 "[ . 1 . 2]" 1
53 1 16 ILE H 1 18 GLU H 1.800 . 6.000 5.796 4.745 6.190 0.190 10 0 "[ . 1 . 2]" 1
54 1 15 ASN HA 1 16 ILE H 1.800 . 3.000 2.406 2.144 2.966 . 0 0 "[ . 1 . 2]" 1
55 1 16 ILE H 1 16 ILE HA 1.800 . 3.000 2.917 2.749 2.948 . 0 0 "[ . 1 . 2]" 1
56 1 15 ASN QB 1 16 ILE H 1.800 . 4.800 3.322 1.987 4.043 . 0 0 "[ . 1 . 2]" 1
57 1 16 ILE H 1 16 ILE HB 1.800 . 3.000 2.819 2.559 3.033 0.033 6 0 "[ . 1 . 2]" 1
58 1 16 ILE H 1 16 ILE QG 1.800 . 4.700 3.179 2.191 4.145 . 0 0 "[ . 1 . 2]" 1
59 1 16 ILE H 1 16 ILE MG 1.800 . 5.000 3.553 2.019 3.996 . 0 0 "[ . 1 . 2]" 1
60 1 16 ILE H 1 16 ILE MD 1.800 . 5.000 3.600 2.348 4.727 . 0 0 "[ . 1 . 2]" 1
61 1 17 ILE H 1 18 GLU H 1.800 . 4.800 4.000 2.435 4.601 . 0 0 "[ . 1 . 2]" 1
62 1 16 ILE HA 1 17 ILE H 1.800 . 2.800 2.268 2.141 2.956 0.156 10 0 "[ . 1 . 2]" 1
63 1 17 ILE H 1 17 ILE HB 1.800 . 3.300 2.731 2.296 3.599 0.299 3 0 "[ . 1 . 2]" 1
64 1 16 ILE QG 1 17 ILE H 1.800 . 5.500 3.892 1.999 4.635 . 0 0 "[ . 1 . 2]" 1
65 1 17 ILE H 1 17 ILE QG 1.800 . 4.700 3.133 2.029 4.071 . 0 0 "[ . 1 . 2]" 1
66 1 16 ILE MD 1 17 ILE H 1.800 . 6.000 4.640 2.107 5.599 . 0 0 "[ . 1 . 2]" 1
67 1 17 ILE H 1 17 ILE MD 1.800 . 5.800 3.272 1.909 4.353 . 0 0 "[ . 1 . 2]" 1
68 1 17 ILE HA 1 18 GLU H 1.800 . 3.000 2.359 2.141 2.892 . 0 0 "[ . 1 . 2]" 1
69 1 18 GLU H 1 18 GLU QG 1.800 . 4.500 3.553 2.010 4.310 . 0 0 "[ . 1 . 2]" 1
70 1 18 GLU H 1 18 GLU HB2 1.800 . 3.700 2.870 2.167 3.695 . 0 0 "[ . 1 . 2]" 1
71 1 17 ILE MD 1 18 GLU H 1.800 . 4.300 3.705 2.171 4.361 0.061 19 0 "[ . 1 . 2]" 1
72 1 18 GLU HA 1 19 GLN H 1.800 . 2.800 2.349 2.139 2.744 . 0 0 "[ . 1 . 2]" 1
73 1 18 GLU QB 1 19 GLN H 1.800 . 4.700 3.581 2.323 4.021 . 0 0 "[ . 1 . 2]" 1
74 1 19 GLN H 1 19 GLN QG 1.800 . 4.300 3.070 1.957 3.952 . 0 0 "[ . 1 . 2]" 1
75 1 19 GLN H 1 19 GLN QB 1.800 . 3.800 2.265 2.060 2.642 . 0 0 "[ . 1 . 2]" 1
76 1 19 GLN QB 1 20 LEU H 1.800 . 3.700 2.635 2.268 3.433 . 0 0 "[ . 1 . 2]" 1
77 1 20 LEU H 1 20 LEU QD 1.800 . 4.800 3.233 2.496 4.020 . 0 0 "[ . 1 . 2]" 1
78 1 20 LEU H 1 20 LEU HB3 1.800 . 4.000 3.877 3.513 3.999 . 0 0 "[ . 1 . 2]" 1
79 1 20 LEU H 1 20 LEU HB2 1.800 . 4.000 3.171 2.280 3.709 . 0 0 "[ . 1 . 2]" 1
80 1 19 GLN HA 1 20 LEU H 1.800 . 4.000 3.530 3.460 3.566 . 0 0 "[ . 1 . 2]" 1
81 1 20 LEU HA 1 21 GLU H 1.800 . 2.800 2.436 2.167 2.712 . 0 0 "[ . 1 . 2]" 1
82 1 20 LEU HB2 1 21 GLU H 1.800 . 4.700 3.992 2.875 4.635 . 0 0 "[ . 1 . 2]" 1
83 1 20 LEU HB3 1 21 GLU H 1.800 . 4.300 3.155 1.951 4.292 . 0 0 "[ . 1 . 2]" 1
84 1 20 LEU QD 1 21 GLU H 1.800 . 4.800 3.509 2.412 4.577 . 0 0 "[ . 1 . 2]" 1
85 1 23 ASN H 1 23 ASN QB 1.800 . 3.500 2.915 2.090 3.435 . 0 0 "[ . 1 . 2]" 1
86 1 22 LYS QB 1 23 ASN H 1.800 . 3.300 2.565 1.934 3.239 . 0 0 "[ . 1 . 2]" 1
87 1 22 LYS HA 1 23 ASN H 1.800 . 3.000 2.429 2.178 2.717 . 0 0 "[ . 1 . 2]" 1
88 1 23 ASN H 1 24 GLY H 1.800 . 4.800 4.248 2.506 4.605 . 0 0 "[ . 1 . 2]" 1
89 1 24 GLY H 1 25 LYS H 1.800 . 5.000 4.102 2.741 4.623 . 0 0 "[ . 1 . 2]" 1
90 1 23 ASN HA 1 24 GLY H 1.800 . 2.800 2.464 2.150 2.718 . 0 0 "[ . 1 . 2]" 1
91 1 23 ASN QB 1 24 GLY H 1.800 . 4.800 2.727 1.940 4.033 . 0 0 "[ . 1 . 2]" 1
92 1 25 LYS H 1 25 LYS QG 1.800 . 4.000 3.032 2.149 4.000 . 4 0 "[ . 1 . 2]" 1
93 1 24 GLY QA 1 25 LYS H 1.800 . 3.000 2.198 2.107 2.341 . 0 0 "[ . 1 . 2]" 1
94 1 25 LYS HA 1 26 VAL H 1.800 . 3.300 2.550 2.148 2.965 . 0 0 "[ . 1 . 2]" 1
95 1 25 LYS QE 1 26 VAL H 1.800 . 6.500 5.288 4.050 6.406 . 0 0 "[ . 1 . 2]" 1
96 1 25 LYS QB 1 26 VAL H 1.800 . 4.500 2.840 1.925 4.030 . 0 0 "[ . 1 . 2]" 1
97 1 25 LYS QG 1 26 VAL H 1.800 . 5.000 3.573 2.054 4.620 . 0 0 "[ . 1 . 2]" 1
98 1 26 VAL H 1 26 VAL QG 1.800 . 5.000 2.232 1.894 2.884 . 0 0 "[ . 1 . 2]" 1
99 1 26 VAL HA 1 27 THR H 1.800 . 3.700 3.397 2.380 3.570 . 0 0 "[ . 1 . 2]" 1
100 1 26 VAL HB 1 27 THR H 1.800 . 3.300 2.402 1.949 3.372 0.072 11 0 "[ . 1 . 2]" 1
101 1 25 LYS QD 1 27 THR H 1.800 . 6.500 5.435 4.049 6.501 0.001 17 0 "[ . 1 . 2]" 1
102 1 27 THR H 1 28 ARG QG 1.800 . 5.800 5.350 4.603 5.779 . 0 0 "[ . 1 . 2]" 1
103 1 27 THR H 1 27 THR MG 1.800 . 4.700 3.083 1.925 3.919 . 0 0 "[ . 1 . 2]" 1
104 1 26 VAL QG 1 27 THR H 1.800 . 4.800 2.494 1.883 2.929 . 0 0 "[ . 1 . 2]" 1
105 1 28 ARG H 1 28 ARG QB 1.800 . 3.800 2.413 2.217 3.005 . 0 0 "[ . 1 . 2]" 1
106 1 28 ARG H 1 28 ARG HD2 1.800 . 5.500 4.833 3.600 5.402 . 0 0 "[ . 1 . 2]" 1
107 1 28 ARG H 1 28 ARG HD3 1.800 . 4.000 3.725 2.771 4.016 0.016 19 0 "[ . 1 . 2]" 1
108 1 28 ARG H 1 28 ARG QG 1.800 . 5.000 3.508 1.916 3.997 . 0 0 "[ . 1 . 2]" 1
109 1 29 PRO HB3 1 30 ALA H 1.800 . 4.000 3.628 3.557 3.834 . 0 0 "[ . 1 . 2]" 1
110 1 29 PRO HA 1 30 ALA H 1.800 . 2.800 2.287 2.191 2.327 . 0 0 "[ . 1 . 2]" 1
111 1 30 ALA H 1 30 ALA MB 1.800 . 4.000 2.668 2.622 2.709 . 0 0 "[ . 1 . 2]" 1
112 1 30 ALA H 1 31 LEU H 1.800 . 4.500 4.382 4.365 4.406 . 0 0 "[ . 1 . 2]" 1
113 1 30 ALA H 1 123 LYS H 1.800 . 4.300 4.288 4.052 4.363 0.063 10 0 "[ . 1 . 2]" 1
114 1 30 ALA H 1 125 ASN HA 1.800 . 4.800 4.732 4.288 4.811 0.011 14 0 "[ . 1 . 2]" 1
115 1 30 ALA H 1 125 ASN HB3 1.800 . 5.000 4.163 3.240 5.008 0.008 17 0 "[ . 1 . 2]" 1
116 1 30 ALA HA 1 125 ASN HB2 1.800 . 4.000 3.159 1.999 3.967 . 0 0 "[ . 1 . 2]" 1
117 1 30 ALA MB 1 31 LEU H 1.800 . 4.000 2.641 2.342 2.774 . 0 0 "[ . 1 . 2]" 1
118 1 30 ALA HA 1 31 LEU H 1.800 . 2.800 2.341 2.286 2.507 . 0 0 "[ . 1 . 2]" 1
119 1 31 LEU H 1 31 LEU QB 1.800 . 3.500 2.822 2.645 2.944 . 0 0 "[ . 1 . 2]" 1
120 1 31 LEU H 1 31 LEU QD 1.800 . 5.300 3.908 3.642 4.175 . 0 0 "[ . 1 . 2]" 1
121 1 31 LEU H 1 32 GLY H 1.800 . 3.000 1.994 1.896 2.438 . 0 0 "[ . 1 . 2]" 1
122 1 31 LEU H 1 33 ILE H 1.800 . 5.500 5.247 4.911 5.513 0.013 15 0 "[ . 1 . 2]" 1
123 1 31 LEU H 1 122 ILE QG 1.800 . 6.500 5.736 5.040 6.166 . 0 0 "[ . 1 . 2]" 1
124 1 30 ALA MB 1 32 GLY H 1.800 . 4.800 3.261 2.733 4.628 . 0 0 "[ . 1 . 2]" 1
125 1 30 ALA HA 1 32 GLY H 1.800 . 4.300 4.075 3.903 4.387 0.087 15 0 "[ . 1 . 2]" 1
126 1 31 LEU QD 1 32 GLY H 1.800 . 5.500 4.007 2.079 4.606 . 0 0 "[ . 1 . 2]" 1
127 1 31 LEU QB 1 32 GLY H 1.800 . 4.500 3.609 2.278 3.839 . 0 0 "[ . 1 . 2]" 1
128 1 31 LEU HA 1 32 GLY H 1.800 . 3.500 3.010 2.861 3.574 0.074 15 0 "[ . 1 . 2]" 1
129 1 32 GLY H 1 32 GLY HA3 1.800 . 3.000 2.380 2.311 2.746 . 0 0 "[ . 1 . 2]" 1
130 1 32 GLY H 1 33 ILE HB 1.800 . 5.700 5.493 5.088 5.695 . 0 0 "[ . 1 . 2]" 1
131 1 32 GLY H 1 33 ILE H 1.800 . 4.000 3.747 3.225 4.005 0.005 6 0 "[ . 1 . 2]" 1
132 1 32 GLY H 1 65 GLN HG2 1.800 . 4.800 4.214 3.854 4.831 0.031 15 0 "[ . 1 . 2]" 1
133 1 32 GLY H 1 68 MET ME 1.800 . 6.000 4.916 2.991 5.955 . 0 0 "[ . 1 . 2]" 1
134 1 31 LEU QB 1 33 ILE H 1.800 . 5.500 4.567 4.106 5.102 . 0 0 "[ . 1 . 2]" 1
135 1 32 GLY HA3 1 33 ILE H 1.800 . 3.800 3.543 3.507 3.569 . 0 0 "[ . 1 . 2]" 1
136 1 32 GLY HA2 1 33 ILE H 1.800 . 3.300 2.434 2.303 2.617 . 0 0 "[ . 1 . 2]" 1
137 1 33 ILE H 1 33 ILE HB 1.800 . 3.500 2.803 2.592 2.921 . 0 0 "[ . 1 . 2]" 1
138 1 33 ILE H 1 33 ILE MG 1.800 . 5.000 3.914 3.832 3.968 . 0 0 "[ . 1 . 2]" 1
139 1 33 ILE H 1 34 GLN H 1.800 . 4.500 4.411 4.262 4.511 0.011 11 0 "[ . 1 . 2]" 1
140 1 33 ILE H 1 34 GLN QG 1.800 . 4.800 4.595 4.278 4.833 0.033 17 0 "[ . 1 . 2]" 1
141 1 31 LEU QB 1 33 ILE QG 1.800 . 6.000 5.285 3.988 6.001 0.001 9 0 "[ . 1 . 2]" 1
142 1 32 GLY HA2 1 33 ILE QG 1.800 . 5.500 4.355 3.912 4.730 . 0 0 "[ . 1 . 2]" 1
143 1 33 ILE MG 1 35 MET HG2 1.800 . 4.500 3.057 2.399 3.933 . 0 0 "[ . 1 . 2]" 1
144 1 33 ILE MG 1 64 VAL HA 1.800 . 4.800 2.638 1.953 3.973 . 0 0 "[ . 1 . 2]" 1
145 1 33 ILE MD 1 35 MET HG2 1.800 . 6.300 5.542 4.744 6.100 . 0 0 "[ . 1 . 2]" 1
146 1 33 ILE HA 1 34 GLN H 1.800 . 3.000 2.244 2.178 2.304 . 0 0 "[ . 1 . 2]" 1
147 1 33 ILE MD 1 34 GLN H 1.800 . 6.500 4.789 3.294 5.118 . 0 0 "[ . 1 . 2]" 1
148 1 34 GLN H 1 34 GLN QG 1.800 . 4.000 2.786 2.353 3.159 . 0 0 "[ . 1 . 2]" 1
149 1 33 ILE MG 1 35 MET H 1.800 . 6.000 4.433 4.016 4.707 . 0 0 "[ . 1 . 2]" 1
150 1 34 GLN H 1 35 MET H 1.800 . 4.800 4.435 4.348 4.503 . 0 0 "[ . 1 . 2]" 1
151 1 34 GLN HA 1 35 MET H 1.800 . 2.800 2.168 2.146 2.218 . 0 0 "[ . 1 . 2]" 1
152 1 34 GLN HG3 1 35 MET H 1.800 . 5.500 5.082 4.503 5.480 . 0 0 "[ . 1 . 2]" 1
153 1 34 GLN HB3 1 35 MET H 1.800 . 3.800 3.215 2.959 3.377 . 0 0 "[ . 1 . 2]" 1
154 1 35 MET H 1 35 MET QG 1.800 . 4.500 2.950 2.471 3.388 . 0 0 "[ . 1 . 2]" 1
155 1 35 MET H 1 35 MET HB2 1.800 . 3.000 2.926 2.781 3.026 0.026 6 0 "[ . 1 . 2]" 1
156 1 35 MET H 1 36 VAL H 1.800 . 4.700 4.424 4.402 4.465 . 0 0 "[ . 1 . 2]" 1
157 1 35 MET H 1 36 VAL HA 1.800 . 5.000 4.845 4.784 4.945 . 0 0 "[ . 1 . 2]" 1
158 1 35 MET H 1 60 ILE H 1.800 . 6.500 6.550 6.512 6.587 0.087 11 0 "[ . 1 . 2]" 1
159 1 35 MET H 1 62 ARG QD 1.800 . 6.500 5.795 4.822 6.508 0.008 1 0 "[ . 1 . 2]" 1
160 1 35 MET H 1 63 SER H 1.800 . 6.300 6.182 5.966 6.316 0.016 8 0 "[ . 1 . 2]" 1
161 1 35 MET H 1 91 SER QB 1.800 . 4.000 3.219 2.873 3.828 . 0 0 "[ . 1 . 2]" 1
162 1 35 MET HB2 1 36 VAL H 1.800 . 4.000 3.219 2.958 3.470 . 0 0 "[ . 1 . 2]" 1
163 1 35 MET HA 1 36 VAL H 1.800 . 3.000 2.486 2.351 2.577 . 0 0 "[ . 1 . 2]" 1
164 1 36 VAL H 1 36 VAL QG 1.800 . 4.800 2.310 2.179 2.382 . 0 0 "[ . 1 . 2]" 1
165 1 36 VAL H 1 37 ASN H 1.800 . 4.500 4.329 4.320 4.359 . 0 0 "[ . 1 . 2]" 1
166 1 36 VAL H 1 59 VAL MG2 1.800 . 6.000 4.891 4.750 5.034 . 0 0 "[ . 1 . 2]" 1
167 1 36 VAL H 1 60 ILE H 1.800 . 3.000 2.514 2.436 2.621 . 0 0 "[ . 1 . 2]" 1
168 1 36 VAL H 1 61 VAL HA 1.800 . 4.300 3.963 3.809 4.071 . 0 0 "[ . 1 . 2]" 1
169 1 36 VAL H 1 61 VAL MG2 1.800 . 6.000 4.970 4.735 5.233 . 0 0 "[ . 1 . 2]" 1
170 1 36 VAL QG 1 38 LEU HA 1.800 . 5.700 4.487 4.148 4.664 . 0 0 "[ . 1 . 2]" 1
171 1 36 VAL QG 1 60 ILE HA 1.800 . 6.000 5.026 4.942 5.137 . 0 0 "[ . 1 . 2]" 1
172 1 36 VAL QG 1 62 ARG QD 1.800 . 5.500 2.919 1.799 5.039 0.001 5 0 "[ . 1 . 2]" 1
173 1 36 VAL QG 1 62 ARG HB3 1.800 . 5.500 4.465 3.264 5.103 . 0 0 "[ . 1 . 2]" 1
174 1 36 VAL HA 1 37 ASN H 1.800 . 3.000 2.255 2.246 2.266 . 0 0 "[ . 1 . 2]" 1
175 1 36 VAL HB 1 37 ASN H 1.800 . 3.500 2.840 2.757 3.817 0.317 14 0 "[ . 1 . 2]" 1
176 1 36 VAL QG 1 37 ASN H 1.800 . 4.800 3.243 1.951 3.338 . 0 0 "[ . 1 . 2]" 1
177 1 37 ASN H 1 37 ASN HB3 1.800 . 3.300 2.765 2.578 2.811 . 0 0 "[ . 1 . 2]" 1
178 1 37 ASN H 1 37 ASN HB2 1.800 . 4.000 3.387 2.366 3.584 . 0 0 "[ . 1 . 2]" 1
179 1 37 ASN H 1 38 LEU H 1.800 . 5.000 4.634 4.624 4.639 . 0 0 "[ . 1 . 2]" 1
180 1 37 ASN H 1 39 SER H 1.800 . 5.500 5.457 5.177 5.526 0.026 11 0 "[ . 1 . 2]" 1
181 1 37 ASN H 1 39 SER HA 1.800 . 6.500 6.167 6.026 6.266 . 0 0 "[ . 1 . 2]" 1
182 1 37 ASN H 1 40 ASN H 1.800 . 4.800 4.777 4.435 4.912 0.112 11 0 "[ . 1 . 2]" 1
183 1 37 ASN H 1 41 VAL H 1.800 . 6.500 6.528 6.421 6.566 0.066 1 0 "[ . 1 . 2]" 1
184 1 37 ASN H 1 60 ILE H 1.800 . 5.300 4.880 4.816 4.947 . 0 0 "[ . 1 . 2]" 1
185 1 37 ASN H 1 60 ILE QG 1.800 . 6.000 4.903 4.688 5.114 . 0 0 "[ . 1 . 2]" 1
186 1 37 ASN H 1 90 SER H 1.800 . 6.500 6.500 6.362 6.551 0.051 19 0 "[ . 1 . 2]" 1
187 1 37 ASN H 1 92 THR HB 1.800 . 6.500 6.536 6.504 6.572 0.072 11 0 "[ . 1 . 2]" 1
188 1 37 ASN HA 1 38 LEU H 1.800 . 2.800 2.272 2.230 2.309 . 0 0 "[ . 1 . 2]" 1
189 1 37 ASN HB3 1 38 LEU H 1.800 . 4.000 3.768 3.626 3.929 . 0 0 "[ . 1 . 2]" 1
190 1 37 ASN HB2 1 38 LEU H 1.800 . 3.800 2.998 2.752 4.028 0.228 20 0 "[ . 1 . 2]" 1
191 1 38 LEU H 1 38 LEU HB2 1.800 . 2.800 2.095 2.045 2.229 . 0 0 "[ . 1 . 2]" 1
192 1 38 LEU H 1 38 LEU HB3 1.800 . 3.700 3.379 3.271 3.521 . 0 0 "[ . 1 . 2]" 1
193 1 38 LEU H 1 38 LEU QD 1.800 . 5.000 3.207 1.915 3.570 . 0 0 "[ . 1 . 2]" 1
194 1 38 LEU H 1 39 SER H 1.800 . 3.300 2.843 2.797 2.872 . 0 0 "[ . 1 . 2]" 1
195 1 38 LEU H 1 40 ASN H 1.800 . 4.300 4.278 4.160 4.306 0.006 6 0 "[ . 1 . 2]" 1
196 1 38 LEU H 1 41 VAL H 1.800 . 4.700 4.352 4.282 4.564 . 0 0 "[ . 1 . 2]" 1
197 1 38 LEU H 1 58 GLY H 1.800 . 3.300 2.901 2.493 3.060 . 0 0 "[ . 1 . 2]" 1
198 1 38 LEU H 1 60 ILE H 1.800 . 5.000 4.750 4.604 4.964 . 0 0 "[ . 1 . 2]" 1
199 1 38 LEU QD 1 57 SER HA 1.800 . 4.000 2.275 1.914 3.364 . 0 0 "[ . 1 . 2]" 1
200 1 38 LEU QD 1 57 SER QB 1.800 . 5.500 3.561 2.661 4.228 . 0 0 "[ . 1 . 2]" 1
201 1 38 LEU QD 1 45 ASP HB2 1.800 . 6.000 2.672 1.940 4.238 . 0 0 "[ . 1 . 2]" 1
202 1 37 ASN HA 1 39 SER H 1.800 . 4.500 4.275 4.150 4.355 . 0 0 "[ . 1 . 2]" 1
203 1 37 ASN HB2 1 39 SER H 1.800 . 4.300 3.014 2.690 4.485 0.185 8 0 "[ . 1 . 2]" 1
204 1 37 ASN HB3 1 39 SER H 1.800 . 5.000 4.289 3.085 4.539 . 0 0 "[ . 1 . 2]" 1
205 1 38 LEU HA 1 39 SER H 1.800 . 4.000 3.540 3.513 3.549 . 0 0 "[ . 1 . 2]" 1
206 1 38 LEU HB3 1 39 SER H 1.800 . 3.700 2.981 2.748 3.310 . 0 0 "[ . 1 . 2]" 1
207 1 38 LEU HG 1 39 SER H 1.800 . 5.500 4.964 4.787 5.034 . 0 0 "[ . 1 . 2]" 1
208 1 38 LEU QD 1 39 SER H 1.800 . 5.500 4.001 3.859 4.152 . 0 0 "[ . 1 . 2]" 1
209 1 39 SER H 1 40 ASN H 1.800 . 2.800 2.228 2.072 2.282 . 0 0 "[ . 1 . 2]" 1
210 1 39 SER H 1 41 VAL H 1.800 . 3.000 2.585 2.444 2.826 . 0 0 "[ . 1 . 2]" 1
211 1 39 SER H 1 41 VAL QG 1.800 . 5.700 4.413 4.029 5.091 . 0 0 "[ . 1 . 2]" 1
212 1 39 SER H 1 41 VAL HB 1.800 . 6.500 6.098 5.572 6.400 . 0 0 "[ . 1 . 2]" 1
213 1 39 SER H 1 45 ASP H 1.800 . 6.300 5.970 5.125 6.329 0.029 11 0 "[ . 1 . 2]" 1
214 1 39 SER H 1 58 GLY H 1.800 . 4.700 4.562 4.247 4.738 0.038 7 0 "[ . 1 . 2]" 1
215 1 38 LEU HA 1 40 ASN H 1.800 . 5.300 5.265 5.145 5.319 0.019 11 0 "[ . 1 . 2]" 1
216 1 40 ASN H 1 40 ASN HA 1.800 . 3.000 2.275 2.273 2.279 . 0 0 "[ . 1 . 2]" 1
217 1 40 ASN H 1 40 ASN HB3 1.800 . 4.000 3.842 3.659 4.017 0.017 20 0 "[ . 1 . 2]" 1
218 1 40 ASN H 1 40 ASN HB2 1.800 . 3.500 3.088 2.963 3.505 0.005 20 0 "[ . 1 . 2]" 1
219 1 40 ASN H 1 41 VAL H 1.800 . 3.300 2.670 2.599 2.782 . 0 0 "[ . 1 . 2]" 1
220 1 40 ASN H 1 41 VAL HB 1.800 . 6.000 5.726 5.462 5.892 . 0 0 "[ . 1 . 2]" 1
221 1 40 ASN H 1 41 VAL QG 1.800 . 5.500 4.231 4.027 4.705 . 0 0 "[ . 1 . 2]" 1
222 1 40 ASN H 1 58 GLY H 1.800 . 6.300 6.155 5.652 6.311 0.011 7 0 "[ . 1 . 2]" 1
223 1 39 SER HA 1 41 VAL H 1.800 . 4.700 4.459 4.280 4.778 0.078 6 0 "[ . 1 . 2]" 1
224 1 40 ASN HA 1 41 VAL H 1.800 . 3.500 2.893 2.715 2.996 . 0 0 "[ . 1 . 2]" 1
225 1 40 ASN HB3 1 41 VAL H 1.800 . 4.500 4.149 3.999 4.464 . 0 0 "[ . 1 . 2]" 1
226 1 40 ASN HB2 1 41 VAL H 1.800 . 4.800 4.447 4.154 4.610 . 0 0 "[ . 1 . 2]" 1
227 1 41 VAL H 1 41 VAL HB 1.800 . 4.000 3.547 2.929 3.717 . 0 0 "[ . 1 . 2]" 1
228 1 41 VAL H 1 41 VAL QG 1.800 . 4.000 2.651 2.455 3.078 . 0 0 "[ . 1 . 2]" 1
229 1 41 VAL H 1 41 VAL HA 1.800 . 3.000 2.282 2.275 2.309 . 0 0 "[ . 1 . 2]" 1
230 1 41 VAL H 1 42 SER H 1.800 . 3.300 3.095 2.775 3.458 0.158 11 0 "[ . 1 . 2]" 1
231 1 41 VAL QG 1 45 ASP HB3 1.800 . 6.000 5.322 4.499 5.869 . 0 0 "[ . 1 . 2]" 1
232 1 38 LEU HB2 1 41 VAL QG 1.800 . 6.500 4.873 4.373 5.700 . 0 0 "[ . 1 . 2]" 1
233 1 41 VAL QG 1 57 SER HB3 1.800 . 5.000 2.747 2.290 3.886 . 0 0 "[ . 1 . 2]" 1
234 1 41 VAL QG 1 57 SER HB2 1.800 . 5.000 2.522 1.975 3.117 . 0 0 "[ . 1 . 2]" 1
235 1 41 VAL QG 1 46 ILE QG 1.800 . 6.000 4.638 4.431 5.082 . 0 0 "[ . 1 . 2]" 1
236 1 41 VAL QG 1 46 ILE MD 1.800 . 6.000 4.012 3.464 4.815 . 0 0 "[ . 1 . 2]" 1
237 1 41 VAL QG 1 42 SER H 1.800 . 5.300 3.494 3.348 3.690 . 0 0 "[ . 1 . 2]" 1
238 1 41 VAL HB 1 42 SER H 1.800 . 4.500 4.447 4.333 4.616 0.116 14 0 "[ . 1 . 2]" 1
239 1 41 VAL HA 1 42 SER H 1.800 . 3.000 2.451 2.333 2.819 . 0 0 "[ . 1 . 2]" 1
240 1 42 SER H 1 42 SER HB2 1.800 . 3.000 2.579 2.491 2.881 . 0 0 "[ . 1 . 2]" 1
241 1 42 SER H 1 43 THR H 1.800 . 4.800 4.465 4.424 4.486 . 0 0 "[ . 1 . 2]" 1
242 1 42 SER H 1 44 SER H 1.800 . 4.700 4.650 4.364 4.759 0.059 8 0 "[ . 1 . 2]" 1
243 1 42 SER H 1 45 ASP H 1.800 . 3.800 3.593 3.230 3.812 0.012 20 0 "[ . 1 . 2]" 1
244 1 42 SER H 1 46 ILE H 1.800 . 4.800 4.779 4.543 4.909 0.109 9 0 "[ . 1 . 2]" 1
245 1 41 VAL QG 1 43 THR H 1.800 . 6.500 5.394 5.111 5.816 . 0 0 "[ . 1 . 2]" 1
246 1 42 SER HA 1 43 THR H 1.800 . 3.000 2.426 2.355 2.573 . 0 0 "[ . 1 . 2]" 1
247 1 43 THR H 1 43 THR HB 1.800 . 3.500 3.287 2.715 3.493 . 0 0 "[ . 1 . 2]" 1
248 1 43 THR H 1 43 THR MG 1.800 . 3.500 3.097 2.039 3.479 . 0 0 "[ . 1 . 2]" 1
249 1 43 THR H 1 44 SER H 1.800 . 3.300 2.616 2.562 2.738 . 0 0 "[ . 1 . 2]" 1
250 1 43 THR H 1 45 ASP H 1.800 . 4.700 4.362 4.172 4.502 . 0 0 "[ . 1 . 2]" 1
251 1 43 THR H 1 46 ILE HB 1.800 . 5.700 5.682 5.468 5.804 0.104 4 0 "[ . 1 . 2]" 1
252 1 43 THR HA 1 46 ILE HB 1.800 . 3.500 3.012 2.754 3.163 . 0 0 "[ . 1 . 2]" 1
253 1 43 THR HA 1 46 ILE MD 1.800 . 5.700 3.959 3.569 4.619 . 0 0 "[ . 1 . 2]" 1
254 1 43 THR HB 1 46 ILE HB 1.800 . 4.700 4.518 4.255 4.728 0.028 19 0 "[ . 1 . 2]" 1
255 1 43 THR HB 1 46 ILE MG 1.800 . 6.500 5.440 5.209 5.674 . 0 0 "[ . 1 . 2]" 1
256 1 43 THR HB 1 46 ILE QG 1.800 . 5.500 4.525 3.911 5.102 . 0 0 "[ . 1 . 2]" 1
257 1 43 THR MG 1 46 ILE HB 1.800 . 6.300 3.678 3.094 4.979 . 0 0 "[ . 1 . 2]" 1
258 1 43 THR HA 1 44 SER H 1.800 . 4.000 3.462 3.438 3.519 . 0 0 "[ . 1 . 2]" 1
259 1 44 SER H 1 44 SER QB 1.800 . 3.700 2.312 2.055 2.891 . 0 0 "[ . 1 . 2]" 1
260 1 43 THR HA 1 45 ASP H 1.800 . 4.300 4.166 3.990 4.308 0.008 15 0 "[ . 1 . 2]" 1
261 1 44 SER H 1 45 ASP H 1.800 . 3.300 2.629 2.557 2.691 . 0 0 "[ . 1 . 2]" 1
262 1 44 SER HA 1 45 ASP H 1.800 . 4.000 3.519 3.492 3.540 . 0 0 "[ . 1 . 2]" 1
263 1 45 ASP H 1 45 ASP QB 1.800 . 3.500 2.295 2.067 2.700 . 0 0 "[ . 1 . 2]" 1
264 1 45 ASP H 1 46 ILE HA 1.800 . 5.500 5.128 5.028 5.274 . 0 0 "[ . 1 . 2]" 1
265 1 45 ASP H 1 46 ILE H 1.800 . 3.300 2.528 2.421 2.680 . 0 0 "[ . 1 . 2]" 1
266 1 45 ASP H 1 46 ILE QG 1.800 . 5.500 3.903 3.591 4.468 . 0 0 "[ . 1 . 2]" 1
267 1 45 ASP H 1 47 ARG QB 1.800 . 6.000 5.610 5.321 6.046 0.046 11 0 "[ . 1 . 2]" 1
268 1 45 ASP HA 1 49 LEU HB3 1.800 . 6.000 5.761 5.281 6.043 0.043 12 0 "[ . 1 . 2]" 1
269 1 43 THR HA 1 46 ILE H 1.800 . 3.700 3.275 3.158 3.398 . 0 0 "[ . 1 . 2]" 1
270 1 45 ASP QB 1 46 ILE H 1.800 . 4.300 3.192 2.655 3.443 . 0 0 "[ . 1 . 2]" 1
271 1 45 ASP HA 1 46 ILE H 1.800 . 4.000 3.491 3.477 3.522 . 0 0 "[ . 1 . 2]" 1
272 1 46 ILE H 1 46 ILE HA 1.800 . 3.000 2.799 2.795 2.801 . 0 0 "[ . 1 . 2]" 1
273 1 46 ILE H 1 46 ILE HG12 1.800 . 3.500 2.104 1.947 2.426 . 0 0 "[ . 1 . 2]" 1
274 1 46 ILE H 1 46 ILE MG 1.800 . 4.800 3.760 3.726 3.764 . 0 0 "[ . 1 . 2]" 1
275 1 46 ILE H 1 50 ASN H 1.800 . 6.500 6.476 6.313 6.565 0.065 19 0 "[ . 1 . 2]" 1
276 1 45 ASP HB3 1 46 ILE MD 1.800 . 5.800 4.771 4.357 4.990 . 0 0 "[ . 1 . 2]" 1
277 1 45 ASP HB2 1 46 ILE MD 1.800 . 6.500 4.632 3.155 5.442 . 0 0 "[ . 1 . 2]" 1
278 1 46 ILE MD 1 57 SER QB 1.800 . 6.000 3.558 2.494 5.119 . 0 0 "[ . 1 . 2]" 1
279 1 46 ILE H 1 47 ARG H 1.800 . 3.000 2.803 2.782 2.819 . 0 0 "[ . 1 . 2]" 1
280 1 46 ILE HA 1 47 ARG H 1.800 . 4.000 3.563 3.557 3.565 . 0 0 "[ . 1 . 2]" 1
281 1 46 ILE MD 1 47 ARG H 1.800 . 6.000 4.591 4.516 4.639 . 0 0 "[ . 1 . 2]" 1
282 1 47 ARG H 1 47 ARG QD 1.800 . 4.300 3.421 2.016 4.070 . 0 0 "[ . 1 . 2]" 1
283 1 43 THR MG 1 47 ARG QD 1.800 . 5.700 4.689 3.881 5.553 . 0 0 "[ . 1 . 2]" 1
284 1 45 ASP HA 1 48 ARG H 1.800 . 3.700 3.331 3.249 3.483 . 0 0 "[ . 1 . 2]" 1
285 1 46 ILE QG 1 48 ARG H 1.800 . 6.000 5.477 5.367 5.672 . 0 0 "[ . 1 . 2]" 1
286 1 46 ILE H 1 48 ARG H 1.800 . 4.300 3.891 3.797 4.088 . 0 0 "[ . 1 . 2]" 1
287 1 47 ARG H 1 48 ARG H 1.800 . 3.000 2.544 2.511 2.596 . 0 0 "[ . 1 . 2]" 1
288 1 47 ARG HA 1 48 ARG H 1.800 . 4.000 3.487 3.460 3.544 . 0 0 "[ . 1 . 2]" 1
289 1 48 ARG H 1 48 ARG QD 1.800 . 3.700 3.337 2.527 3.706 0.006 4 0 "[ . 1 . 2]" 1
290 1 48 ARG H 1 48 ARG QG 1.800 . 4.500 3.721 2.521 4.058 . 0 0 "[ . 1 . 2]" 1
291 1 48 ARG H 1 49 LEU H 1.800 . 3.000 2.538 2.452 2.701 . 0 0 "[ . 1 . 2]" 1
292 1 46 ILE HA 1 49 LEU H 1.800 . 4.000 3.685 3.552 3.878 . 0 0 "[ . 1 . 2]" 1
293 1 48 ARG HA 1 49 LEU H 1.800 . 4.000 3.455 3.424 3.536 . 0 0 "[ . 1 . 2]" 1
294 1 49 LEU H 1 49 LEU HB2 1.800 . 3.300 2.726 2.364 2.999 . 0 0 "[ . 1 . 2]" 1
295 1 49 LEU H 1 49 LEU QD 1.800 . 5.500 3.720 3.567 3.827 . 0 0 "[ . 1 . 2]" 1
296 1 49 LEU H 1 50 ASN H 1.800 . 3.300 2.888 2.715 3.054 . 0 0 "[ . 1 . 2]" 1
297 1 49 LEU H 1 50 ASN HA 1.800 . 4.800 4.779 4.590 4.883 0.083 5 0 "[ . 1 . 2]" 1
298 1 49 LEU H 1 50 ASN HB2 1.800 . 5.500 5.506 5.405 5.626 0.126 17 0 "[ . 1 . 2]" 1
299 1 49 LEU QD 1 52 PRO QD 1.800 . 4.500 2.315 1.859 3.030 . 0 0 "[ . 1 . 2]" 1
300 1 46 ILE MD 1 50 ASN H 1.800 . 6.000 5.238 4.902 5.457 . 0 0 "[ . 1 . 2]" 1
301 1 46 ILE HA 1 50 ASN H 1.800 . 4.300 4.235 3.996 4.342 0.042 3 0 "[ . 1 . 2]" 1
302 1 49 LEU HA 1 50 ASN H 1.800 . 4.000 3.553 3.536 3.567 . 0 0 "[ . 1 . 2]" 1
303 1 49 LEU HB3 1 50 ASN H 1.800 . 2.800 1.956 1.864 2.078 . 0 0 "[ . 1 . 2]" 1
304 1 49 LEU HB2 1 50 ASN H 1.800 . 4.000 3.491 3.346 3.563 . 0 0 "[ . 1 . 2]" 1
305 1 49 LEU QD 1 50 ASN H 1.800 . 5.000 2.769 2.223 3.248 . 0 0 "[ . 1 . 2]" 1
306 1 50 ASN H 1 50 ASN HB2 1.800 . 3.800 3.327 3.101 3.654 . 0 0 "[ . 1 . 2]" 1
307 1 50 ASN H 1 50 ASN HB3 1.800 . 4.000 3.461 3.158 3.830 . 0 0 "[ . 1 . 2]" 1
308 1 50 ASN H 1 51 ILE H 1.800 . 3.500 2.442 1.783 3.208 0.017 18 0 "[ . 1 . 2]" 1
309 1 49 LEU QD 1 53 SER H 1.800 . 6.500 5.114 4.511 6.306 . 0 0 "[ . 1 . 2]" 1
310 1 52 PRO HB3 1 53 SER H 1.800 . 4.000 3.251 3.173 3.883 . 0 0 "[ . 1 . 2]" 1
311 1 52 PRO HB2 1 53 SER H 1.800 . 3.000 2.057 1.865 2.886 . 0 0 "[ . 1 . 2]" 1
312 1 52 PRO HA 1 53 SER H 1.800 . 4.000 2.822 2.545 3.571 . 0 0 "[ . 1 . 2]" 1
313 1 53 SER H 1 53 SER QB 1.800 . 3.500 2.902 2.371 3.454 . 0 0 "[ . 1 . 2]" 1
314 1 53 SER H 1 54 ASN H 1.800 . 3.000 2.419 1.881 3.066 0.066 16 0 "[ . 1 . 2]" 1
315 1 53 SER H 1 55 VAL MG2 1.800 . 5.000 3.473 2.749 4.514 . 0 0 "[ . 1 . 2]" 1
316 1 53 SER H 1 55 VAL H 1.800 . 3.000 2.541 2.297 3.086 0.086 16 0 "[ . 1 . 2]" 1
317 1 52 PRO HB3 1 54 ASN H 1.800 . 5.500 5.106 4.169 5.438 . 0 0 "[ . 1 . 2]" 1
318 1 52 PRO HB2 1 54 ASN H 1.800 . 4.000 3.852 2.586 4.092 0.092 1 0 "[ . 1 . 2]" 1
319 1 53 SER HA 1 54 ASN H 1.800 . 4.000 3.550 3.503 3.570 . 0 0 "[ . 1 . 2]" 1
320 1 53 SER QB 1 54 ASN H 1.800 . 3.800 2.478 2.012 3.337 . 0 0 "[ . 1 . 2]" 1
321 1 54 ASN H 1 54 ASN HB3 1.800 . 3.300 2.899 2.514 3.116 . 0 0 "[ . 1 . 2]" 1
322 1 54 ASN H 1 54 ASN HB2 1.800 . 3.000 2.487 2.321 2.858 . 0 0 "[ . 1 . 2]" 1
323 1 54 ASN H 1 55 VAL H 1.800 . 3.000 2.133 2.112 2.301 . 0 0 "[ . 1 . 2]" 1
324 1 54 ASN H 1 55 VAL MG2 1.800 . 5.000 3.390 3.125 3.654 . 0 0 "[ . 1 . 2]" 1
325 1 54 ASN H 1 55 VAL MG1 1.800 . 6.500 5.474 5.441 5.525 . 0 0 "[ . 1 . 2]" 1
326 1 52 PRO QG 1 54 ASN H 1.800 . 6.300 5.235 3.729 5.629 . 0 0 "[ . 1 . 2]" 1
327 1 52 PRO HB3 1 55 VAL H 1.800 . 4.300 4.179 3.814 4.395 0.095 12 0 "[ . 1 . 2]" 1
328 1 54 ASN HA 1 55 VAL H 1.800 . 4.000 3.396 3.242 3.408 . 0 0 "[ . 1 . 2]" 1
329 1 54 ASN HB3 1 55 VAL H 1.800 . 3.800 3.288 3.177 3.693 . 0 0 "[ . 1 . 2]" 1
330 1 54 ASN HB2 1 55 VAL H 1.800 . 4.300 3.890 3.685 4.183 . 0 0 "[ . 1 . 2]" 1
331 1 55 VAL H 1 55 VAL HB 1.800 . 3.000 2.578 2.489 2.693 . 0 0 "[ . 1 . 2]" 1
332 1 55 VAL H 1 55 VAL MG2 1.800 . 3.500 2.240 1.924 2.679 . 0 0 "[ . 1 . 2]" 1
333 1 55 VAL H 1 55 VAL MG1 1.800 . 5.000 3.786 3.759 3.861 . 0 0 "[ . 1 . 2]" 1
334 1 55 VAL H 1 56 THR H 1.800 . 3.300 2.822 2.322 3.135 . 0 0 "[ . 1 . 2]" 1
335 1 55 VAL H 1 56 THR MG 1.800 . 6.500 5.266 3.230 5.734 . 0 0 "[ . 1 . 2]" 1
336 1 55 VAL MG1 1 56 THR HB 1.800 . 5.800 4.724 4.405 5.569 . 0 0 "[ . 1 . 2]" 1
337 1 55 VAL MG1 1 58 GLY HA2 1.800 . 5.500 4.221 3.895 4.871 . 0 0 "[ . 1 . 2]" 1
338 1 52 PRO HB2 1 55 VAL MG1 1.800 . 5.500 4.066 3.646 4.859 . 0 0 "[ . 1 . 2]" 1
339 1 52 PRO QG 1 55 VAL MG1 1.800 . 6.000 3.881 2.892 5.354 . 0 0 "[ . 1 . 2]" 1
340 1 55 VAL HA 1 56 THR H 1.800 . 3.800 3.564 3.553 3.571 . 0 0 "[ . 1 . 2]" 1
341 1 55 VAL MG2 1 56 THR H 1.800 . 4.500 3.596 3.513 3.781 . 0 0 "[ . 1 . 2]" 1
342 1 55 VAL MG1 1 56 THR H 1.800 . 4.300 2.951 2.658 3.452 . 0 0 "[ . 1 . 2]" 1
343 1 55 VAL HB 1 56 THR H 1.800 . 3.000 2.054 1.934 2.471 . 0 0 "[ . 1 . 2]" 1
344 1 56 THR H 1 56 THR HA 1.800 . 3.000 2.279 2.276 2.310 . 0 0 "[ . 1 . 2]" 1
345 1 56 THR H 1 56 THR HB 1.800 . 4.300 3.811 3.053 4.052 . 0 0 "[ . 1 . 2]" 1
346 1 56 THR H 1 56 THR MG 1.800 . 5.000 3.633 2.548 4.035 . 0 0 "[ . 1 . 2]" 1
347 1 56 THR H 1 57 SER H 1.800 . 4.000 3.485 3.112 3.918 . 0 0 "[ . 1 . 2]" 1
348 1 53 SER HA 1 56 THR MG 1.800 . 5.800 5.378 3.530 5.816 0.016 9 0 "[ . 1 . 2]" 1
349 1 38 LEU QD 1 57 SER H 1.800 . 5.300 3.809 3.398 4.872 . 0 0 "[ . 1 . 2]" 1
350 1 55 VAL MG1 1 57 SER H 1.800 . 4.800 3.649 2.958 4.411 . 0 0 "[ . 1 . 2]" 1
351 1 55 VAL MG2 1 57 SER H 1.800 . 6.500 5.748 5.281 6.418 . 0 0 "[ . 1 . 2]" 1
352 1 56 THR HA 1 57 SER H 1.800 . 3.000 2.228 2.145 2.362 . 0 0 "[ . 1 . 2]" 1
353 1 56 THR HB 1 57 SER H 1.800 . 4.500 4.216 3.417 4.551 0.051 13 0 "[ . 1 . 2]" 1
354 1 56 THR MG 1 57 SER H 1.800 . 5.000 3.483 2.939 4.295 . 0 0 "[ . 1 . 2]" 1
355 1 38 LEU HG 1 57 SER QB 1.800 . 6.000 5.534 3.106 6.012 0.012 10 0 "[ . 1 . 2]" 1
356 1 38 LEU HG 1 57 SER HA 1.800 . 5.000 4.588 2.458 4.999 . 0 0 "[ . 1 . 2]" 1
357 1 38 LEU HB2 1 57 SER HA 1.800 . 3.500 3.202 2.734 3.523 0.023 6 0 "[ . 1 . 2]" 1
358 1 37 ASN HB3 1 58 GLY H 1.800 . 5.500 5.467 5.258 5.554 0.054 15 0 "[ . 1 . 2]" 1
359 1 37 ASN HB2 1 58 GLY H 1.800 . 5.000 4.791 4.456 5.188 0.188 20 0 "[ . 1 . 2]" 1
360 1 38 LEU HB3 1 58 GLY H 1.800 . 4.000 4.014 3.663 4.085 0.085 12 0 "[ . 1 . 2]" 1
361 1 38 LEU HB2 1 58 GLY H 1.800 . 3.000 2.403 2.174 2.493 . 0 0 "[ . 1 . 2]" 1
362 1 38 LEU QD 1 58 GLY H 1.800 . 4.500 2.462 2.016 3.041 . 0 0 "[ . 1 . 2]" 1
363 1 38 LEU HG 1 58 GLY H 1.800 . 4.300 4.019 2.792 4.329 0.029 20 0 "[ . 1 . 2]" 1
364 1 57 SER HA 1 58 GLY H 1.800 . 3.300 2.591 2.218 2.717 . 0 0 "[ . 1 . 2]" 1
365 1 57 SER QB 1 58 GLY H 1.800 . 4.000 2.494 2.173 3.554 . 0 0 "[ . 1 . 2]" 1
366 1 58 GLY H 1 59 VAL H 1.800 . 4.800 4.298 4.170 4.383 . 0 0 "[ . 1 . 2]" 1
367 1 58 GLY H 1 60 ILE H 1.800 . 6.500 6.443 6.229 6.539 0.039 14 0 "[ . 1 . 2]" 1
368 1 58 GLY H 1 89 ALA MB 1.800 . 5.300 4.281 3.396 5.305 0.005 17 0 "[ . 1 . 2]" 1
369 1 58 GLY H 1 89 ALA H 1.800 . 6.500 6.397 5.926 6.548 0.048 11 0 "[ . 1 . 2]" 1
370 1 58 GLY HA2 1 59 VAL H 1.800 . 3.000 2.833 2.449 3.028 0.028 17 0 "[ . 1 . 2]" 1
371 1 58 GLY HA3 1 59 VAL H 1.800 . 3.000 2.339 2.201 2.684 . 0 0 "[ . 1 . 2]" 1
372 1 59 VAL H 1 59 VAL MG1 1.800 . 4.800 3.895 3.829 3.947 . 0 0 "[ . 1 . 2]" 1
373 1 59 VAL H 1 59 VAL HB 1.800 . 3.000 2.750 2.587 2.922 . 0 0 "[ . 1 . 2]" 1
374 1 59 VAL H 1 60 ILE H 1.800 . 4.700 4.459 4.388 4.500 . 0 0 "[ . 1 . 2]" 1
375 1 59 VAL H 1 79 VAL MG1 1.800 . 5.500 3.840 3.498 4.178 . 0 0 "[ . 1 . 2]" 1
376 1 59 VAL H 1 80 ILE H 1.800 . 4.300 4.134 3.940 4.304 0.004 15 0 "[ . 1 . 2]" 1
377 1 59 VAL H 1 81 THR HA 1.800 . 3.500 3.233 2.878 3.432 . 0 0 "[ . 1 . 2]" 1
378 1 59 VAL H 1 81 THR H 1.800 . 5.300 5.046 4.811 5.130 . 0 0 "[ . 1 . 2]" 1
379 1 59 VAL H 1 81 THR MG 1.800 . 5.000 3.941 3.196 5.023 0.023 8 0 "[ . 1 . 2]" 1
380 1 59 VAL MG2 1 81 THR HA 1.800 . 5.300 4.466 4.047 4.769 . 0 0 "[ . 1 . 2]" 1
381 1 59 VAL MG2 1 81 THR MG 1.800 . 6.500 5.345 4.768 6.089 . 0 0 "[ . 1 . 2]" 1
382 1 35 MET HA 1 59 VAL MG1 1.800 . 5.000 3.738 3.428 3.921 . 0 0 "[ . 1 . 2]" 1
383 1 35 MET QG 1 59 VAL MG1 1.800 . 5.000 3.094 2.623 3.520 . 0 0 "[ . 1 . 2]" 1
384 1 59 VAL MG1 1 91 SER HA 1.800 . 4.000 2.306 2.066 2.580 . 0 0 "[ . 1 . 2]" 1
385 1 59 VAL MG2 1 91 SER HA 1.800 . 4.300 2.456 2.039 2.769 . 0 0 "[ . 1 . 2]" 1
386 1 59 VAL MG1 1 91 SER QB 1.800 . 3.800 1.951 1.853 2.267 . 0 0 "[ . 1 . 2]" 1
387 1 59 VAL MG2 1 91 SER QB 1.800 . 5.500 3.236 2.999 3.516 . 0 0 "[ . 1 . 2]" 1
388 1 59 VAL MG1 1 60 ILE H 1.800 . 4.000 2.045 1.906 2.345 . 0 0 "[ . 1 . 2]" 1
389 1 59 VAL MG2 1 60 ILE H 1.800 . 5.000 3.983 3.874 4.118 . 0 0 "[ . 1 . 2]" 1
390 1 59 VAL MG1 1 60 ILE QG 1.800 . 5.800 3.583 3.406 3.798 . 0 0 "[ . 1 . 2]" 1
391 1 59 VAL MG1 1 80 ILE H 1.800 . 5.500 4.480 3.910 4.852 . 0 0 "[ . 1 . 2]" 1
392 1 35 MET QG 1 60 ILE H 1.800 . 5.500 4.841 4.419 5.190 . 0 0 "[ . 1 . 2]" 1
393 1 35 MET HA 1 60 ILE H 1.800 . 5.000 4.476 4.254 4.670 . 0 0 "[ . 1 . 2]" 1
394 1 36 VAL HA 1 60 ILE H 1.800 . 5.000 4.536 4.481 4.611 . 0 0 "[ . 1 . 2]" 1
395 1 37 ASN HA 1 60 ILE H 1.800 . 4.000 3.818 3.681 3.934 . 0 0 "[ . 1 . 2]" 1
396 1 38 LEU HA 1 60 ILE H 1.800 . 5.300 5.072 4.913 5.209 . 0 0 "[ . 1 . 2]" 1
397 1 59 VAL HA 1 60 ILE H 1.800 . 3.000 2.248 2.194 2.294 . 0 0 "[ . 1 . 2]" 1
398 1 59 VAL HB 1 60 ILE H 1.800 . 4.300 3.798 3.624 4.040 . 0 0 "[ . 1 . 2]" 1
399 1 60 ILE H 1 60 ILE QG 1.800 . 3.500 2.121 2.044 2.194 . 0 0 "[ . 1 . 2]" 1
400 1 60 ILE H 1 61 VAL H 1.800 . 4.500 4.344 4.328 4.363 . 0 0 "[ . 1 . 2]" 1
401 1 60 ILE MD 1 61 VAL H 1.800 . 5.800 4.181 3.646 4.981 . 0 0 "[ . 1 . 2]" 1
402 1 60 ILE QG 1 61 VAL H 1.800 . 5.500 4.243 4.087 4.348 . 0 0 "[ . 1 . 2]" 1
403 1 60 ILE QG 1 61 VAL HA 1.800 . 5.800 4.616 4.403 4.815 . 0 0 "[ . 1 . 2]" 1
404 1 37 ASN HA 1 60 ILE MD 1.800 . 6.500 5.695 5.161 6.105 . 0 0 "[ . 1 . 2]" 1
405 1 36 VAL HA 1 60 ILE MD 1.800 . 6.500 5.366 5.121 5.904 . 0 0 "[ . 1 . 2]" 1
406 1 60 ILE QG 1 62 ARG QB 1.800 . 6.500 5.337 4.033 5.886 . 0 0 "[ . 1 . 2]" 1
407 1 60 ILE QG 1 62 ARG QG 1.800 . 5.500 4.552 3.477 5.508 0.008 7 0 "[ . 1 . 2]" 1
408 1 60 ILE QG 1 77 TYR HB3 1.800 . 6.000 5.214 4.898 5.656 . 0 0 "[ . 1 . 2]" 1
409 1 60 ILE MG 1 77 TYR HB2 1.800 . 6.000 4.933 4.425 5.199 . 0 0 "[ . 1 . 2]" 1
410 1 60 ILE QG 1 79 VAL HA 1.800 . 5.500 4.693 4.576 4.905 . 0 0 "[ . 1 . 2]" 1
411 1 60 ILE HA 1 61 VAL H 1.800 . 3.000 2.169 2.162 2.173 . 0 0 "[ . 1 . 2]" 1
412 1 61 VAL H 1 61 VAL HB 1.800 . 3.300 2.582 2.485 2.647 . 0 0 "[ . 1 . 2]" 1
413 1 61 VAL H 1 61 VAL MG1 1.800 . 5.000 3.782 3.770 3.796 . 0 0 "[ . 1 . 2]" 1
414 1 61 VAL H 1 77 TYR H 1.800 . 6.500 6.407 6.305 6.495 . 0 0 "[ . 1 . 2]" 1
415 1 61 VAL H 1 77 TYR HB3 1.800 . 5.500 5.075 4.958 5.256 . 0 0 "[ . 1 . 2]" 1
416 1 61 VAL H 1 77 TYR HB2 1.800 . 6.300 6.109 5.838 6.267 . 0 0 "[ . 1 . 2]" 1
417 1 61 VAL H 1 78 ASP HA 1.800 . 5.000 4.738 4.702 4.785 . 0 0 "[ . 1 . 2]" 1
418 1 61 VAL H 1 78 ASP HB3 1.800 . 3.300 2.678 2.539 2.798 . 0 0 "[ . 1 . 2]" 1
419 1 61 VAL H 1 78 ASP HB2 1.800 . 4.500 4.399 4.270 4.508 0.008 17 0 "[ . 1 . 2]" 1
420 1 61 VAL H 1 78 ASP H 1.800 . 5.000 4.972 4.912 5.026 0.026 18 0 "[ . 1 . 2]" 1
421 1 61 VAL H 1 79 VAL HA 1.800 . 4.000 3.842 3.726 3.918 . 0 0 "[ . 1 . 2]" 1
422 1 61 VAL H 1 80 ILE H 1.800 . 4.500 3.884 3.770 4.070 . 0 0 "[ . 1 . 2]" 1
423 1 35 MET HA 1 61 VAL MG2 1.800 . 5.300 4.057 3.669 4.414 . 0 0 "[ . 1 . 2]" 1
424 1 35 MET HA 1 61 VAL MG1 1.800 . 5.000 3.755 3.448 3.947 . 0 0 "[ . 1 . 2]" 1
425 1 61 VAL MG2 1 74 LEU QD 1.800 . 5.000 3.629 2.651 4.058 . 0 0 "[ . 1 . 2]" 1
426 1 59 VAL MG1 1 61 VAL MG2 1.800 . 5.300 3.682 3.094 4.075 . 0 0 "[ . 1 . 2]" 1
427 1 60 ILE HB 1 61 VAL MG2 1.800 . 6.000 4.872 4.726 5.035 . 0 0 "[ . 1 . 2]" 1
428 1 61 VAL MG1 1 78 ASP H 1.800 . 6.500 5.989 5.761 6.064 . 0 0 "[ . 1 . 2]" 1
429 1 61 VAL MG2 1 78 ASP H 1.800 . 6.000 5.379 5.007 5.890 . 0 0 "[ . 1 . 2]" 1
430 1 61 VAL MG1 1 76 LYS HA 1.800 . 6.000 5.160 4.773 5.382 . 0 0 "[ . 1 . 2]" 1
431 1 33 ILE HB 1 61 VAL MG1 1.800 . 5.500 3.944 3.530 4.198 . 0 0 "[ . 1 . 2]" 1
432 1 61 VAL MG1 1 62 ARG HB2 1.800 . 5.300 4.255 4.011 5.046 . 0 0 "[ . 1 . 2]" 1
433 1 34 GLN H 1 62 ARG H 1.800 . 4.800 4.438 4.271 4.630 . 0 0 "[ . 1 . 2]" 1
434 1 34 GLN HA 1 62 ARG H 1.800 . 5.500 5.208 5.132 5.269 . 0 0 "[ . 1 . 2]" 1
435 1 34 GLN HB2 1 62 ARG H 1.800 . 4.500 4.062 3.825 4.313 . 0 0 "[ . 1 . 2]" 1
436 1 34 GLN QG 1 62 ARG H 1.800 . 6.500 5.712 5.437 6.022 . 0 0 "[ . 1 . 2]" 1
437 1 35 MET HA 1 62 ARG H 1.800 . 3.000 2.589 2.355 2.816 . 0 0 "[ . 1 . 2]" 1
438 1 36 VAL H 1 62 ARG H 1.800 . 4.700 4.615 4.425 4.728 0.028 18 0 "[ . 1 . 2]" 1
439 1 61 VAL H 1 62 ARG H 1.800 . 5.000 4.522 4.455 4.608 . 0 0 "[ . 1 . 2]" 1
440 1 61 VAL HA 1 62 ARG H 1.800 . 3.000 2.160 2.141 2.212 . 0 0 "[ . 1 . 2]" 1
441 1 61 VAL MG2 1 62 ARG H 1.800 . 5.300 4.090 3.981 4.157 . 0 0 "[ . 1 . 2]" 1
442 1 61 VAL MG1 1 62 ARG H 1.800 . 4.300 2.534 2.254 2.700 . 0 0 "[ . 1 . 2]" 1
443 1 62 ARG H 1 62 ARG HA 1.800 . 2.800 2.873 2.831 2.930 0.130 5 0 "[ . 1 . 2]" 1
444 1 62 ARG H 1 62 ARG QD 1.800 . 5.500 4.190 3.729 4.594 . 0 0 "[ . 1 . 2]" 1
445 1 62 ARG H 1 62 ARG QB 1.800 . 3.500 2.273 2.052 2.690 . 0 0 "[ . 1 . 2]" 1
446 1 62 ARG H 1 63 SER H 1.800 . 3.000 2.424 1.988 2.627 . 0 0 "[ . 1 . 2]" 1
447 1 33 ILE MG 1 63 SER H 1.800 . 5.500 3.503 3.088 4.287 . 0 0 "[ . 1 . 2]" 1
448 1 33 ILE HA 1 63 SER H 1.800 . 5.700 5.393 5.095 5.563 . 0 0 "[ . 1 . 2]" 1
449 1 34 GLN HA 1 63 SER H 1.800 . 5.800 5.810 5.727 5.839 0.039 12 0 "[ . 1 . 2]" 1
450 1 34 GLN HB2 1 63 SER H 1.800 . 4.000 3.904 3.682 4.028 0.028 1 0 "[ . 1 . 2]" 1
451 1 34 GLN QG 1 63 SER H 1.800 . 6.500 5.383 4.944 5.774 . 0 0 "[ . 1 . 2]" 1
452 1 34 GLN H 1 63 SER H 1.800 . 4.000 3.806 3.638 4.007 0.007 5 0 "[ . 1 . 2]" 1
453 1 61 VAL MG2 1 63 SER H 1.800 . 5.800 4.746 4.519 5.119 . 0 0 "[ . 1 . 2]" 1
454 1 61 VAL MG1 1 63 SER H 1.800 . 4.000 2.254 1.998 2.534 . 0 0 "[ . 1 . 2]" 1
455 1 62 ARG QD 1 63 SER H 1.800 . 5.800 4.896 3.164 5.762 . 0 0 "[ . 1 . 2]" 1
456 1 62 ARG QB 1 63 SER H 1.800 . 4.000 2.862 2.454 3.689 . 0 0 "[ . 1 . 2]" 1
457 1 63 SER H 1 76 LYS HA 1.800 . 6.500 6.505 6.269 6.537 0.037 6 0 "[ . 1 . 2]" 1
458 1 63 SER H 1 76 LYS QG 1.800 . 6.500 5.865 5.486 6.465 . 0 0 "[ . 1 . 2]" 1
459 1 33 ILE HA 1 64 VAL H 1.800 . 6.300 6.005 5.571 6.307 0.007 11 0 "[ . 1 . 2]" 1
460 1 34 GLN H 1 64 VAL H 1.800 . 6.000 5.826 5.168 6.038 0.038 11 0 "[ . 1 . 2]" 1
461 1 63 SER HA 1 64 VAL H 1.800 . 3.000 2.268 2.146 2.688 . 0 0 "[ . 1 . 2]" 1
462 1 63 SER H 1 64 VAL H 1.800 . 4.500 4.026 3.310 4.365 . 0 0 "[ . 1 . 2]" 1
463 1 63 SER QB 1 64 VAL H 1.800 . 4.000 3.244 2.087 3.966 . 0 0 "[ . 1 . 2]" 1
464 1 64 VAL H 1 64 VAL MG1 1.800 . 3.800 2.059 1.935 2.292 . 0 0 "[ . 1 . 2]" 1
465 1 64 VAL H 1 64 VAL HB 1.800 . 3.500 2.886 2.652 3.325 . 0 0 "[ . 1 . 2]" 1
466 1 64 VAL H 1 64 VAL MG2 1.800 . 4.800 3.819 3.781 3.909 . 0 0 "[ . 1 . 2]" 1
467 1 64 VAL H 1 69 PRO QG 1.800 . 6.500 5.407 4.697 6.218 . 0 0 "[ . 1 . 2]" 1
468 1 64 VAL H 1 76 LYS HA 1.800 . 6.000 5.586 5.069 6.032 0.032 1 0 "[ . 1 . 2]" 1
469 1 64 VAL H 1 76 LYS QE 1.800 . 5.000 4.197 3.350 4.953 . 0 0 "[ . 1 . 2]" 1
470 1 64 VAL H 1 76 LYS QG 1.800 . 6.000 5.515 5.114 5.947 . 0 0 "[ . 1 . 2]" 1
471 1 64 VAL MG2 1 67 ASN HB3 1.800 . 5.000 4.646 3.890 5.010 0.010 13 0 "[ . 1 . 2]" 1
472 1 64 VAL MG1 1 67 ASN HB3 1.800 . 5.300 3.366 2.658 4.570 . 0 0 "[ . 1 . 2]" 1
473 1 64 VAL MG2 1 66 SER HA 1.800 . 6.500 5.371 5.032 5.614 . 0 0 "[ . 1 . 2]" 1
474 1 64 VAL MG2 1 66 SER QB 1.800 . 6.500 4.301 4.153 4.635 . 0 0 "[ . 1 . 2]" 1
475 1 64 VAL MG1 1 66 SER QB 1.800 . 6.500 5.255 5.062 5.754 . 0 0 "[ . 1 . 2]" 1
476 1 33 ILE HA 1 64 VAL MG1 1.800 . 6.500 5.973 5.359 6.264 . 0 0 "[ . 1 . 2]" 1
477 1 33 ILE HA 1 64 VAL MG2 1.800 . 5.500 4.239 3.421 4.829 . 0 0 "[ . 1 . 2]" 1
478 1 64 VAL MG1 1 76 LYS HA 1.800 . 6.000 4.990 4.334 5.506 . 0 0 "[ . 1 . 2]" 1
479 1 64 VAL MG2 1 65 GLN HG2 1.800 . 5.000 3.248 2.996 3.707 . 0 0 "[ . 1 . 2]" 1
480 1 32 GLY QA 1 65 GLN H 1.800 . 5.500 5.080 3.920 5.529 0.029 1 0 "[ . 1 . 2]" 1
481 1 33 ILE H 1 65 GLN H 1.800 . 6.000 5.818 5.368 6.052 0.052 9 0 "[ . 1 . 2]" 1
482 1 33 ILE HA 1 65 GLN H 1.800 . 4.000 3.754 3.622 3.918 . 0 0 "[ . 1 . 2]" 1
483 1 34 GLN H 1 65 GLN H 1.800 . 5.300 5.259 5.034 5.331 0.031 17 0 "[ . 1 . 2]" 1
484 1 64 VAL HA 1 65 GLN H 1.800 . 3.000 2.241 2.199 2.248 . 0 0 "[ . 1 . 2]" 1
485 1 64 VAL HB 1 65 GLN H 1.800 . 4.300 3.988 3.935 4.044 . 0 0 "[ . 1 . 2]" 1
486 1 64 VAL MG2 1 65 GLN H 1.800 . 3.800 2.031 1.923 2.352 . 0 0 "[ . 1 . 2]" 1
487 1 64 VAL MG1 1 65 GLN H 1.800 . 5.000 3.740 3.593 3.999 . 0 0 "[ . 1 . 2]" 1
488 1 65 GLN H 1 65 GLN HG3 1.800 . 4.000 3.355 2.723 3.565 . 0 0 "[ . 1 . 2]" 1
489 1 65 GLN H 1 65 GLN HG2 1.800 . 3.000 2.164 1.930 2.342 . 0 0 "[ . 1 . 2]" 1
490 1 65 GLN H 1 68 MET H 1.800 . 4.800 4.668 4.390 4.825 0.025 6 0 "[ . 1 . 2]" 1
491 1 65 GLN H 1 68 MET ME 1.800 . 6.500 5.424 3.778 6.499 . 0 0 "[ . 1 . 2]" 1
492 1 65 GLN HA 1 66 SER H 1.800 . 3.000 2.173 2.138 2.197 . 0 0 "[ . 1 . 2]" 1
493 1 65 GLN QG 1 66 SER H 1.800 . 5.000 3.897 3.723 4.345 . 0 0 "[ . 1 . 2]" 1
494 1 65 GLN HB2 1 66 SER H 1.800 . 3.700 3.200 3.063 3.488 . 0 0 "[ . 1 . 2]" 1
495 1 66 SER H 1 66 SER HA 1.800 . 3.000 2.277 2.275 2.279 . 0 0 "[ . 1 . 2]" 1
496 1 66 SER H 1 67 ASN HB3 1.800 . 5.500 5.103 5.009 5.447 . 0 0 "[ . 1 . 2]" 1
497 1 66 SER H 1 67 ASN H 1.800 . 3.000 2.616 2.599 2.723 . 0 0 "[ . 1 . 2]" 1
498 1 66 SER H 1 68 MET H 1.800 . 5.300 5.048 4.685 5.304 0.004 11 0 "[ . 1 . 2]" 1
499 1 66 SER H 1 68 MET ME 1.800 . 6.500 5.638 4.897 6.532 0.032 6 0 "[ . 1 . 2]" 1
500 1 65 GLN HG2 1 67 ASN H 1.800 . 5.300 5.202 4.952 5.334 0.034 1 0 "[ . 1 . 2]" 1
501 1 66 SER HA 1 67 ASN H 1.800 . 3.800 3.138 3.026 3.179 . 0 0 "[ . 1 . 2]" 1
502 1 66 SER QB 1 67 ASN H 1.800 . 4.300 3.580 3.519 3.756 . 0 0 "[ . 1 . 2]" 1
503 1 67 ASN H 1 67 ASN HB3 1.800 . 3.300 3.068 2.918 3.544 0.244 15 0 "[ . 1 . 2]" 1
504 1 67 ASN H 1 67 ASN HB2 1.800 . 4.300 3.804 2.850 3.978 . 0 0 "[ . 1 . 2]" 1
505 1 67 ASN H 1 68 MET H 1.800 . 3.300 3.078 2.929 3.202 . 0 0 "[ . 1 . 2]" 1
506 1 30 ALA MB 1 68 MET H 1.800 . 6.500 6.079 5.473 6.507 0.007 5 0 "[ . 1 . 2]" 1
507 1 33 ILE QG 1 68 MET H 1.800 . 6.500 5.592 5.129 6.304 . 0 0 "[ . 1 . 2]" 1
508 1 65 GLN HA 1 68 MET H 1.800 . 5.700 5.425 5.155 5.639 . 0 0 "[ . 1 . 2]" 1
509 1 65 GLN HG2 1 68 MET H 1.800 . 5.300 5.173 4.364 5.316 0.016 8 0 "[ . 1 . 2]" 1
510 1 66 SER HA 1 68 MET H 1.800 . 5.300 4.912 4.513 5.218 . 0 0 "[ . 1 . 2]" 1
511 1 66 SER QB 1 68 MET H 1.800 . 4.300 3.426 2.997 3.761 . 0 0 "[ . 1 . 2]" 1
512 1 67 ASN HB3 1 68 MET H 1.800 . 5.000 4.591 4.238 4.660 . 0 0 "[ . 1 . 2]" 1
513 1 67 ASN HA 1 68 MET H 1.800 . 3.000 2.651 2.518 2.832 . 0 0 "[ . 1 . 2]" 1
514 1 68 MET H 1 68 MET QB 1.800 . 3.000 2.113 2.043 2.915 . 0 0 "[ . 1 . 2]" 1
515 1 68 MET H 1 68 MET ME 1.800 . 5.300 4.060 3.244 4.915 . 0 0 "[ . 1 . 2]" 1
516 1 68 MET H 1 68 MET QG 1.800 . 4.000 3.374 1.797 3.805 0.003 17 0 "[ . 1 . 2]" 1
517 1 68 MET H 1 69 PRO HB2 1.800 . 6.300 5.895 5.705 6.008 . 0 0 "[ . 1 . 2]" 1
518 1 68 MET H 1 70 ALA H 1.800 . 4.000 3.683 3.586 3.793 . 0 0 "[ . 1 . 2]" 1
519 1 68 MET H 1 70 ALA MB 1.800 . 5.500 4.160 4.033 4.492 . 0 0 "[ . 1 . 2]" 1
520 1 68 MET H 1 71 ASN H 1.800 . 5.300 5.087 4.598 5.274 . 0 0 "[ . 1 . 2]" 1
521 1 68 MET H 1 74 LEU QD 1.800 . 6.500 5.169 4.836 5.880 . 0 0 "[ . 1 . 2]" 1
522 1 64 VAL MG1 1 68 MET H 1.800 . 5.000 3.450 2.632 4.286 . 0 0 "[ . 1 . 2]" 1
523 1 64 VAL MG2 1 68 MET H 1.800 . 5.000 2.292 2.009 2.665 . 0 0 "[ . 1 . 2]" 1
524 1 68 MET HA 1 70 ALA H 1.800 . 4.500 4.376 4.251 4.527 0.027 9 0 "[ . 1 . 2]" 1
525 1 68 MET QG 1 70 ALA H 1.800 . 6.500 5.555 4.450 5.764 . 0 0 "[ . 1 . 2]" 1
526 1 68 MET QB 1 70 ALA H 1.800 . 5.000 4.281 4.209 4.505 . 0 0 "[ . 1 . 2]" 1
527 1 69 PRO HA 1 70 ALA H 1.800 . 3.800 3.503 3.479 3.526 . 0 0 "[ . 1 . 2]" 1
528 1 69 PRO HB3 1 70 ALA H 1.800 . 4.500 4.198 4.135 4.257 . 0 0 "[ . 1 . 2]" 1
529 1 69 PRO QG 1 70 ALA H 1.800 . 4.000 2.474 2.339 2.604 . 0 0 "[ . 1 . 2]" 1
530 1 70 ALA H 1 70 ALA MB 1.800 . 3.500 2.071 2.023 2.255 . 0 0 "[ . 1 . 2]" 1
531 1 70 ALA H 1 70 ALA HA 1.800 . 3.000 2.798 2.783 2.873 . 0 0 "[ . 1 . 2]" 1
532 1 70 ALA H 1 71 ASN HB3 1.800 . 5.300 5.036 4.789 5.288 . 0 0 "[ . 1 . 2]" 1
533 1 70 ALA H 1 73 HIS H 1.800 . 6.000 5.881 5.580 6.026 0.026 11 0 "[ . 1 . 2]" 1
534 1 70 ALA H 1 74 LEU QD 1.800 . 4.500 2.720 2.442 4.171 . 0 0 "[ . 1 . 2]" 1
535 1 70 ALA H 1 74 LEU HG 1.800 . 4.700 4.475 3.733 4.712 0.012 20 0 "[ . 1 . 2]" 1
536 1 64 VAL MG1 1 71 ASN H 1.800 . 6.500 5.151 4.819 5.604 . 0 0 "[ . 1 . 2]" 1
537 1 70 ALA H 1 71 ASN H 1.800 . 3.300 2.663 2.472 2.701 . 0 0 "[ . 1 . 2]" 1
538 1 70 ALA MB 1 71 ASN H 1.800 . 4.000 2.994 2.940 3.130 . 0 0 "[ . 1 . 2]" 1
539 1 70 ALA HA 1 71 ASN H 1.800 . 4.000 3.441 3.364 3.464 . 0 0 "[ . 1 . 2]" 1
540 1 71 ASN H 1 71 ASN HB2 1.800 . 3.000 2.496 2.292 2.733 . 0 0 "[ . 1 . 2]" 1
541 1 71 ASN H 1 72 GLY H 1.800 . 3.000 2.672 2.378 2.793 . 0 0 "[ . 1 . 2]" 1
542 1 71 ASN H 1 74 LEU HG 1.800 . 6.300 5.778 4.629 6.211 . 0 0 "[ . 1 . 2]" 1
543 1 70 ALA MB 1 72 GLY H 1.800 . 5.500 4.348 4.268 4.425 . 0 0 "[ . 1 . 2]" 1
544 1 71 ASN HA 1 72 GLY H 1.800 . 4.000 3.455 3.408 3.486 . 0 0 "[ . 1 . 2]" 1
545 1 71 ASN HB3 1 72 GLY H 1.800 . 3.800 3.035 2.897 3.180 . 0 0 "[ . 1 . 2]" 1
546 1 71 ASN HB2 1 72 GLY H 1.800 . 4.500 4.077 3.923 4.225 . 0 0 "[ . 1 . 2]" 1
547 1 72 GLY H 1 73 HIS H 1.800 . 3.300 2.841 1.963 3.142 . 0 0 "[ . 1 . 2]" 1
548 1 72 GLY H 1 74 LEU QB 1.800 . 5.500 5.183 3.982 5.661 0.161 1 0 "[ . 1 . 2]" 1
549 1 72 GLY H 1 74 LEU HG 1.800 . 6.000 5.507 4.232 6.082 0.082 11 0 "[ . 1 . 2]" 1
550 1 72 GLY H 1 74 LEU QD 1.800 . 5.500 4.074 3.710 4.856 . 0 0 "[ . 1 . 2]" 1
551 1 69 PRO HB3 1 73 HIS H 1.800 . 6.300 6.285 6.054 6.348 0.048 9 0 "[ . 1 . 2]" 1
552 1 70 ALA MB 1 73 HIS H 1.800 . 6.500 5.442 5.337 5.660 . 0 0 "[ . 1 . 2]" 1
553 1 72 GLY HA3 1 73 HIS H 1.800 . 3.000 2.412 2.298 2.886 . 0 0 "[ . 1 . 2]" 1
554 1 73 HIS H 1 74 LEU H 1.800 . 3.300 3.140 2.632 3.322 0.022 4 0 "[ . 1 . 2]" 1
555 1 73 HIS H 1 74 LEU QD 1.800 . 5.500 3.809 3.188 4.826 . 0 0 "[ . 1 . 2]" 1
556 1 72 GLY H 1 74 LEU H 1.800 . 5.300 4.644 2.916 5.091 . 0 0 "[ . 1 . 2]" 1
557 1 74 LEU H 1 74 LEU QB 1.800 . 3.800 2.921 2.270 3.141 . 0 0 "[ . 1 . 2]" 1
558 1 74 LEU H 1 74 LEU QD 1.800 . 5.000 3.241 3.143 3.453 . 0 0 "[ . 1 . 2]" 1
559 1 74 LEU QD 1 76 LYS HA 1.800 . 5.000 3.353 3.156 4.121 . 0 0 "[ . 1 . 2]" 1
560 1 74 LEU QD 1 78 ASP HA 1.800 . 5.500 3.929 3.397 4.467 . 0 0 "[ . 1 . 2]" 1
561 1 74 LEU QD 1 78 ASP HB3 1.800 . 5.500 3.253 2.690 3.611 . 0 0 "[ . 1 . 2]" 1
562 1 74 LEU QD 1 78 ASP HB2 1.800 . 4.000 2.072 1.912 2.516 . 0 0 "[ . 1 . 2]" 1
563 1 74 LEU QD 1 75 GLU HB3 1.800 . 5.500 4.268 3.570 4.696 . 0 0 "[ . 1 . 2]" 1
564 1 74 LEU H 1 75 GLU H 1.800 . 4.700 4.411 4.369 4.518 . 0 0 "[ . 1 . 2]" 1
565 1 74 LEU HA 1 75 GLU H 1.800 . 3.000 2.282 2.185 2.336 . 0 0 "[ . 1 . 2]" 1
566 1 74 LEU QB 1 75 GLU H 1.800 . 4.500 2.784 2.549 3.481 . 0 0 "[ . 1 . 2]" 1
567 1 74 LEU HG 1 75 GLU H 1.800 . 4.500 4.234 4.021 4.587 0.087 1 0 "[ . 1 . 2]" 1
568 1 74 LEU QD 1 75 GLU H 1.800 . 4.000 2.916 1.960 3.254 . 0 0 "[ . 1 . 2]" 1
569 1 75 GLU H 1 75 GLU QG 1.800 . 4.800 3.963 3.575 4.121 . 0 0 "[ . 1 . 2]" 1
570 1 75 GLU H 1 75 GLU HB3 1.800 . 3.300 2.805 2.507 3.227 . 0 0 "[ . 1 . 2]" 1
571 1 75 GLU H 1 75 GLU HB2 1.800 . 3.000 2.449 2.153 2.820 . 0 0 "[ . 1 . 2]" 1
572 1 75 GLU H 1 76 LYS HA 1.800 . 5.800 5.608 5.499 5.709 . 0 0 "[ . 1 . 2]" 1
573 1 75 GLU H 1 76 LYS H 1.800 . 4.800 4.585 4.561 4.600 . 0 0 "[ . 1 . 2]" 1
574 1 75 GLU H 1 78 ASP HA 1.800 . 4.000 3.490 3.263 3.668 . 0 0 "[ . 1 . 2]" 1
575 1 75 GLU H 1 78 ASP HB3 1.800 . 5.300 5.074 4.817 5.308 0.008 9 0 "[ . 1 . 2]" 1
576 1 75 GLU H 1 79 VAL H 1.800 . 6.000 5.486 5.251 5.764 . 0 0 "[ . 1 . 2]" 1
577 1 75 GLU H 1 113 ARG HA 1.800 . 6.300 6.303 6.115 6.336 0.036 11 0 "[ . 1 . 2]" 1
578 1 74 LEU QD 1 76 LYS H 1.800 . 5.500 4.178 3.904 4.537 . 0 0 "[ . 1 . 2]" 1
579 1 75 GLU HA 1 76 LYS H 1.800 . 3.000 2.349 2.292 2.466 . 0 0 "[ . 1 . 2]" 1
580 1 75 GLU HB2 1 76 LYS H 1.800 . 4.300 4.014 3.920 4.184 . 0 0 "[ . 1 . 2]" 1
581 1 76 LYS H 1 76 LYS QB 1.800 . 3.000 2.115 2.042 2.249 . 0 0 "[ . 1 . 2]" 1
582 1 76 LYS H 1 76 LYS QD 1.800 . 4.500 3.453 2.328 4.426 . 0 0 "[ . 1 . 2]" 1
583 1 76 LYS H 1 76 LYS QG 1.800 . 5.000 3.961 3.687 4.047 . 0 0 "[ . 1 . 2]" 1
584 1 76 LYS H 1 76 LYS HA 1.800 . 3.000 2.757 2.752 2.771 . 0 0 "[ . 1 . 2]" 1
585 1 76 LYS H 1 77 TYR HB3 1.800 . 6.500 6.336 6.152 6.479 . 0 0 "[ . 1 . 2]" 1
586 1 76 LYS H 1 77 TYR H 1.800 . 3.300 2.882 2.835 2.972 . 0 0 "[ . 1 . 2]" 1
587 1 63 SER HA 1 76 LYS QE 1.800 . 5.000 3.655 2.419 4.679 . 0 0 "[ . 1 . 2]" 1
588 1 61 VAL MG1 1 77 TYR H 1.800 . 6.500 6.429 6.128 6.530 0.030 20 0 "[ . 1 . 2]" 1
589 1 62 ARG HA 1 77 TYR H 1.800 . 6.500 6.436 6.223 6.536 0.036 9 0 "[ . 1 . 2]" 1
590 1 75 GLU QG 1 77 TYR H 1.800 . 4.800 3.145 2.005 4.423 . 0 0 "[ . 1 . 2]" 1
591 1 76 LYS HA 1 77 TYR H 1.800 . 4.000 3.554 3.539 3.569 . 0 0 "[ . 1 . 2]" 1
592 1 76 LYS QB 1 77 TYR H 1.800 . 4.000 2.449 2.279 2.616 . 0 0 "[ . 1 . 2]" 1
593 1 76 LYS HD2 1 77 TYR H 1.800 . 5.500 5.192 4.668 5.463 . 0 0 "[ . 1 . 2]" 1
594 1 76 LYS QG 1 77 TYR H 1.800 . 4.800 4.022 3.542 4.402 . 0 0 "[ . 1 . 2]" 1
595 1 76 LYS QE 1 77 TYR H 1.800 . 6.500 5.481 5.124 6.096 . 0 0 "[ . 1 . 2]" 1
596 1 77 TYR H 1 77 TYR HB3 1.800 . 4.000 3.527 3.410 3.598 . 0 0 "[ . 1 . 2]" 1
597 1 77 TYR H 1 78 ASP HB2 1.800 . 5.000 4.824 4.766 4.968 . 0 0 "[ . 1 . 2]" 1
598 1 77 TYR H 1 78 ASP HB3 1.800 . 6.000 5.261 5.125 5.348 . 0 0 "[ . 1 . 2]" 1
599 1 77 TYR HB2 1 78 ASP H 1.800 . 3.300 2.627 2.465 2.838 . 0 0 "[ . 1 . 2]" 1
600 1 77 TYR H 1 78 ASP H 1.800 . 3.500 2.613 2.595 2.759 . 0 0 "[ . 1 . 2]" 1
601 1 78 ASP H 1 78 ASP HA 1.800 . 3.000 2.285 2.280 2.291 . 0 0 "[ . 1 . 2]" 1
602 1 78 ASP H 1 78 ASP HB2 1.800 . 3.500 3.012 2.978 3.084 . 0 0 "[ . 1 . 2]" 1
603 1 78 ASP H 1 78 ASP HB3 1.800 . 3.500 3.508 3.425 3.562 0.062 18 0 "[ . 1 . 2]" 1
604 1 78 ASP H 1 79 VAL H 1.800 . 4.000 3.426 3.412 3.452 . 0 0 "[ . 1 . 2]" 1
605 1 78 ASP H 1 80 ILE H 1.800 . 6.500 6.408 6.253 6.530 0.030 1 0 "[ . 1 . 2]" 1
606 1 78 ASP H 1 112 TYR H 1.800 . 6.500 6.536 6.515 6.561 0.061 9 0 "[ . 1 . 2]" 1
607 1 77 TYR HA 1 79 VAL H 1.800 . 6.000 5.809 5.676 5.933 . 0 0 "[ . 1 . 2]" 1
608 1 78 ASP HA 1 79 VAL H 1.800 . 2.800 2.284 2.256 2.310 . 0 0 "[ . 1 . 2]" 1
609 1 78 ASP HB3 1 79 VAL H 1.800 . 4.700 4.474 4.448 4.519 . 0 0 "[ . 1 . 2]" 1
610 1 79 VAL H 1 79 VAL HB 1.800 . 3.000 2.607 2.537 2.636 . 0 0 "[ . 1 . 2]" 1
611 1 79 VAL H 1 79 VAL MG2 1.800 . 4.300 2.363 2.294 2.447 . 0 0 "[ . 1 . 2]" 1
612 1 79 VAL H 1 79 VAL MG1 1.800 . 5.000 3.803 3.789 3.813 . 0 0 "[ . 1 . 2]" 1
613 1 79 VAL H 1 80 ILE H 1.800 . 4.500 4.056 3.953 4.119 . 0 0 "[ . 1 . 2]" 1
614 1 79 VAL H 1 111 TYR HA 1.800 . 5.300 4.808 4.573 4.965 . 0 0 "[ . 1 . 2]" 1
615 1 79 VAL H 1 111 TYR HB2 1.800 . 3.300 2.762 2.540 2.927 . 0 0 "[ . 1 . 2]" 1
616 1 79 VAL H 1 112 TYR H 1.800 . 4.000 3.373 3.256 3.445 . 0 0 "[ . 1 . 2]" 1
617 1 79 VAL H 1 113 ARG H 1.800 . 6.000 5.760 5.292 6.027 0.027 1 0 "[ . 1 . 2]" 1
618 1 60 ILE MD 1 79 VAL MG2 1.800 . 6.000 4.176 3.578 4.537 . 0 0 "[ . 1 . 2]" 1
619 1 60 ILE MG 1 79 VAL MG2 1.800 . 4.500 2.012 1.851 2.208 . 0 0 "[ . 1 . 2]" 1
620 1 60 ILE HB 1 79 VAL MG2 1.800 . 5.000 3.280 2.789 3.677 . 0 0 "[ . 1 . 2]" 1
621 1 60 ILE HA 1 79 VAL MG2 1.800 . 5.500 3.748 3.458 3.957 . 0 0 "[ . 1 . 2]" 1
622 1 79 VAL MG2 1 112 TYR H 1.800 . 5.300 4.098 3.967 4.236 . 0 0 "[ . 1 . 2]" 1
623 1 79 VAL MG2 1 80 ILE H 1.800 . 5.500 4.298 4.272 4.323 . 0 0 "[ . 1 . 2]" 1
624 1 59 VAL MG2 1 80 ILE H 1.800 . 6.500 5.322 5.033 5.505 . 0 0 "[ . 1 . 2]" 1
625 1 60 ILE H 1 80 ILE H 1.800 . 5.000 4.887 4.832 4.953 . 0 0 "[ . 1 . 2]" 1
626 1 60 ILE HA 1 80 ILE H 1.800 . 3.300 2.803 2.660 3.027 . 0 0 "[ . 1 . 2]" 1
627 1 60 ILE HB 1 80 ILE H 1.800 . 5.300 5.024 4.836 5.306 0.006 8 0 "[ . 1 . 2]" 1
628 1 79 VAL HB 1 80 ILE H 1.800 . 4.800 4.422 4.399 4.457 . 0 0 "[ . 1 . 2]" 1
629 1 79 VAL HA 1 80 ILE H 1.800 . 3.000 2.263 2.232 2.318 . 0 0 "[ . 1 . 2]" 1
630 1 79 VAL MG1 1 80 ILE H 1.800 . 4.800 3.428 3.284 3.546 . 0 0 "[ . 1 . 2]" 1
631 1 80 ILE H 1 81 THR H 1.800 . 4.800 4.535 4.495 4.556 . 0 0 "[ . 1 . 2]" 1
632 1 80 ILE H 1 80 ILE HB 1.800 . 3.500 2.728 2.655 2.792 . 0 0 "[ . 1 . 2]" 1
633 1 80 ILE H 1 111 TYR HB3 1.800 . 3.800 3.277 3.093 3.452 . 0 0 "[ . 1 . 2]" 1
634 1 80 ILE H 1 111 TYR HA 1.800 . 5.000 4.349 4.218 4.503 . 0 0 "[ . 1 . 2]" 1
635 1 80 ILE H 1 111 TYR H 1.800 . 6.500 6.426 6.297 6.519 0.019 16 0 "[ . 1 . 2]" 1
636 1 79 VAL MG1 1 81 THR H 1.800 . 6.000 4.688 4.499 4.833 . 0 0 "[ . 1 . 2]" 1
637 1 80 ILE HA 1 81 THR H 1.800 . 3.000 2.163 2.144 2.176 . 0 0 "[ . 1 . 2]" 1
638 1 80 ILE MG 1 81 THR H 1.800 . 5.000 3.943 3.824 4.066 . 0 0 "[ . 1 . 2]" 1
639 1 80 ILE QG 1 81 THR H 1.800 . 3.500 2.528 2.196 2.718 . 0 0 "[ . 1 . 2]" 1
640 1 81 THR H 1 81 THR MG 1.800 . 4.300 2.844 1.990 3.704 . 0 0 "[ . 1 . 2]" 1
641 1 81 THR H 1 82 LYS HB3 1.800 . 5.300 4.909 4.556 5.206 . 0 0 "[ . 1 . 2]" 1
642 1 81 THR H 1 82 LYS H 1.800 . 2.800 1.882 1.826 1.921 . 0 0 "[ . 1 . 2]" 1
643 1 81 THR H 1 83 VAL H 1.800 . 6.300 6.235 6.160 6.302 0.002 2 0 "[ . 1 . 2]" 1
644 1 81 THR H 1 110 THR H 1.800 . 4.800 4.276 4.132 4.462 . 0 0 "[ . 1 . 2]" 1
645 1 81 THR H 1 110 THR HA 1.800 . 5.700 5.309 5.047 5.537 . 0 0 "[ . 1 . 2]" 1
646 1 81 THR H 1 110 THR HB 1.800 . 4.500 4.127 3.503 4.422 . 0 0 "[ . 1 . 2]" 1
647 1 81 THR H 1 111 TYR HA 1.800 . 3.500 2.849 2.606 3.065 . 0 0 "[ . 1 . 2]" 1
648 1 81 THR H 1 111 TYR HB3 1.800 . 4.500 4.164 3.959 4.505 0.005 3 0 "[ . 1 . 2]" 1
649 1 81 THR H 1 112 TYR H 1.800 . 5.300 4.853 4.722 4.929 . 0 0 "[ . 1 . 2]" 1
650 1 55 VAL MG1 1 81 THR MG 1.800 . 4.500 2.087 1.795 3.223 0.005 13 0 "[ . 1 . 2]" 1
651 1 55 VAL MG2 1 81 THR MG 1.800 . 6.000 3.156 2.217 3.810 . 0 0 "[ . 1 . 2]" 1
652 1 80 ILE HA 1 82 LYS H 1.800 . 4.000 3.608 3.462 3.723 . 0 0 "[ . 1 . 2]" 1
653 1 81 THR HA 1 82 LYS H 1.800 . 4.000 3.401 3.233 3.467 . 0 0 "[ . 1 . 2]" 1
654 1 81 THR MG 1 82 LYS H 1.800 . 5.700 3.900 2.636 4.432 . 0 0 "[ . 1 . 2]" 1
655 1 82 LYS H 1 82 LYS HB3 1.800 . 4.000 3.234 2.876 3.480 . 0 0 "[ . 1 . 2]" 1
656 1 82 LYS H 1 83 VAL H 1.800 . 4.700 4.424 4.333 4.462 . 0 0 "[ . 1 . 2]" 1
657 1 82 LYS H 1 88 ILE MD 1.800 . 5.000 3.564 2.784 4.604 . 0 0 "[ . 1 . 2]" 1
658 1 82 LYS H 1 109 ILE HA 1.800 . 5.500 4.989 4.682 5.280 . 0 0 "[ . 1 . 2]" 1
659 1 82 LYS H 1 109 ILE MG 1.800 . 6.500 5.682 5.216 6.037 . 0 0 "[ . 1 . 2]" 1
660 1 82 LYS H 1 111 TYR HA 1.800 . 4.500 4.309 4.162 4.506 0.006 15 0 "[ . 1 . 2]" 1
661 1 82 LYS H 1 110 THR HB 1.800 . 4.000 3.212 2.623 3.721 . 0 0 "[ . 1 . 2]" 1
662 1 82 LYS H 1 112 TYR H 1.800 . 6.500 6.546 6.516 6.582 0.082 18 0 "[ . 1 . 2]" 1
663 1 80 ILE QG 1 83 VAL H 1.800 . 5.500 4.821 4.666 5.019 . 0 0 "[ . 1 . 2]" 1
664 1 82 LYS HA 1 83 VAL H 1.800 . 3.000 2.243 2.229 2.281 . 0 0 "[ . 1 . 2]" 1
665 1 82 LYS QD 1 83 VAL H 1.800 . 5.500 4.368 2.864 5.035 . 0 0 "[ . 1 . 2]" 1
666 1 82 LYS QG 1 83 VAL H 1.800 . 4.000 2.737 2.164 3.323 . 0 0 "[ . 1 . 2]" 1
667 1 83 VAL H 1 83 VAL QG 1.800 . 4.000 2.362 2.136 2.931 . 0 0 "[ . 1 . 2]" 1
668 1 83 VAL H 1 83 VAL HB 1.800 . 4.000 3.309 2.845 3.889 . 0 0 "[ . 1 . 2]" 1
669 1 83 VAL H 1 84 ASP H 1.800 . 4.500 4.066 3.986 4.203 . 0 0 "[ . 1 . 2]" 1
670 1 83 VAL H 1 86 LYS H 1.800 . 3.000 2.663 2.300 3.022 0.022 20 0 "[ . 1 . 2]" 1
671 1 83 VAL H 1 87 GLU HA 1.800 . 4.300 3.920 3.230 4.302 0.002 7 0 "[ . 1 . 2]" 1
672 1 83 VAL H 1 88 ILE H 1.800 . 4.800 4.803 4.707 4.846 0.046 17 0 "[ . 1 . 2]" 1
673 1 83 VAL H 1 110 THR H 1.800 . 5.500 4.955 4.680 5.141 . 0 0 "[ . 1 . 2]" 1
674 1 83 VAL H 1 110 THR HB 1.800 . 5.500 5.409 5.020 5.540 0.040 13 0 "[ . 1 . 2]" 1
675 1 82 LYS HA 1 83 VAL QG 1.800 . 5.000 3.381 3.147 3.593 . 0 0 "[ . 1 . 2]" 1
676 1 83 VAL QG 1 84 ASP HA 1.800 . 5.300 4.002 3.716 4.916 . 0 0 "[ . 1 . 2]" 1
677 1 83 VAL QG 1 87 GLU H 1.800 . 6.000 5.038 4.343 6.010 0.010 18 0 "[ . 1 . 2]" 1
678 1 83 VAL QG 1 110 THR H 1.800 . 5.500 4.269 3.554 4.760 . 0 0 "[ . 1 . 2]" 1
679 1 83 VAL QG 1 94 LEU HA 1.800 . 6.000 4.323 3.651 5.018 . 0 0 "[ . 1 . 2]" 1
680 1 83 VAL QG 1 107 ILE MG 1.800 . 5.300 3.227 2.695 4.396 . 0 0 "[ . 1 . 2]" 1
681 1 83 VAL QG 1 109 ILE HA 1.800 . 5.000 3.286 2.637 3.752 . 0 0 "[ . 1 . 2]" 1
682 1 83 VAL HA 1 84 ASP H 1.800 . 3.000 2.144 2.140 2.155 . 0 0 "[ . 1 . 2]" 1
683 1 83 VAL HB 1 84 ASP H 1.800 . 4.500 4.200 3.541 4.355 . 0 0 "[ . 1 . 2]" 1
684 1 83 VAL QG 1 84 ASP H 1.800 . 4.500 2.750 2.374 3.627 . 0 0 "[ . 1 . 2]" 1
685 1 84 ASP H 1 84 ASP HA 1.800 . 3.000 2.283 2.275 2.299 . 0 0 "[ . 1 . 2]" 1
686 1 84 ASP H 1 85 ASP H 1.800 . 4.500 3.459 2.798 4.047 . 0 0 "[ . 1 . 2]" 1
687 1 84 ASP H 1 107 ILE HB 1.800 . 3.800 3.167 2.710 3.764 . 0 0 "[ . 1 . 2]" 1
688 1 84 ASP H 1 107 ILE MD 1.800 . 5.500 4.040 2.910 5.539 0.039 2 0 "[ . 1 . 2]" 1
689 1 86 LYS H 1 87 GLU H 1.800 . 4.800 4.362 4.079 4.479 . 0 0 "[ . 1 . 2]" 1
690 1 86 LYS HA 1 87 GLU H 1.800 . 3.000 2.293 2.142 2.407 . 0 0 "[ . 1 . 2]" 1
691 1 86 LYS QB 1 87 GLU H 1.800 . 4.500 3.147 2.501 3.555 . 0 0 "[ . 1 . 2]" 1
692 1 86 LYS QG 1 87 GLU H 1.800 . 4.000 2.629 2.091 3.985 . 0 0 "[ . 1 . 2]" 1
693 1 87 GLU H 1 87 GLU QB 1.800 . 3.800 2.506 2.129 2.726 . 0 0 "[ . 1 . 2]" 1
694 1 87 GLU H 1 87 GLU QG 1.800 . 4.800 2.484 1.986 3.936 . 0 0 "[ . 1 . 2]" 1
695 1 87 GLU H 1 88 ILE H 1.800 . 5.000 4.561 4.523 4.630 . 0 0 "[ . 1 . 2]" 1
696 1 59 VAL H 1 88 ILE H 1.800 . 6.300 5.910 5.384 6.305 0.005 10 0 "[ . 1 . 2]" 1
697 1 81 THR H 1 88 ILE H 1.800 . 6.500 6.211 5.556 6.511 0.011 5 0 "[ . 1 . 2]" 1
698 1 82 LYS HA 1 88 ILE H 1.800 . 4.000 3.637 3.309 3.863 . 0 0 "[ . 1 . 2]" 1
699 1 87 GLU QB 1 88 ILE H 1.800 . 4.500 2.985 2.540 3.704 . 0 0 "[ . 1 . 2]" 1
700 1 88 ILE H 1 88 ILE HB 1.800 . 4.000 3.619 2.955 3.934 . 0 0 "[ . 1 . 2]" 1
701 1 88 ILE H 1 89 ALA H 1.800 . 4.800 4.432 4.394 4.505 . 0 0 "[ . 1 . 2]" 1
702 1 82 LYS HA 1 88 ILE MD 1.800 . 5.300 3.552 2.202 4.294 . 0 0 "[ . 1 . 2]" 1
703 1 83 VAL H 1 88 ILE MD 1.800 . 5.000 4.110 2.565 5.007 0.007 14 0 "[ . 1 . 2]" 1
704 1 83 VAL HA 1 88 ILE MD 1.800 . 6.000 4.807 3.892 5.996 . 0 0 "[ . 1 . 2]" 1
705 1 58 GLY HA3 1 88 ILE MD 1.800 . 6.000 4.305 2.859 5.871 . 0 0 "[ . 1 . 2]" 1
706 1 80 ILE QG 1 88 ILE MD 1.800 . 4.000 2.579 1.918 3.700 . 0 0 "[ . 1 . 2]" 1
707 1 88 ILE HA 1 90 SER HB3 1.800 . 6.500 6.446 6.225 6.621 0.121 17 0 "[ . 1 . 2]" 1
708 1 88 ILE MG 1 93 ASP HB3 1.800 . 6.000 4.344 2.284 5.489 . 0 0 "[ . 1 . 2]" 1
709 1 57 SER QB 1 89 ALA H 1.800 . 6.300 6.066 5.118 6.328 0.028 2 0 "[ . 1 . 2]" 1
710 1 59 VAL H 1 89 ALA H 1.800 . 6.000 5.638 5.095 6.014 0.014 15 0 "[ . 1 . 2]" 1
711 1 88 ILE HA 1 89 ALA H 1.800 . 3.000 2.579 2.474 2.616 . 0 0 "[ . 1 . 2]" 1
712 1 88 ILE HB 1 89 ALA H 1.800 . 3.000 2.129 1.939 3.001 0.001 15 0 "[ . 1 . 2]" 1
713 1 89 ALA H 1 89 ALA MB 1.800 . 4.000 2.696 2.462 2.883 . 0 0 "[ . 1 . 2]" 1
714 1 88 ILE MG 1 89 ALA H 1.800 . 4.800 3.115 1.890 3.776 . 0 0 "[ . 1 . 2]" 1
715 1 89 ALA H 1 90 SER H 1.800 . 2.800 1.925 1.753 2.252 0.047 17 0 "[ . 1 . 2]" 1
716 1 89 ALA H 1 93 ASP HB3 1.800 . 4.800 4.416 3.917 4.802 0.002 8 0 "[ . 1 . 2]" 1
717 1 89 ALA H 1 93 ASP HB2 1.800 . 4.800 4.402 3.989 4.799 . 0 0 "[ . 1 . 2]" 1
718 1 89 ALA H 1 94 LEU QD 1.800 . 5.300 3.865 3.013 4.896 . 0 0 "[ . 1 . 2]" 1
719 1 57 SER QB 1 89 ALA HA 1.800 . 4.700 3.560 2.900 3.825 . 0 0 "[ . 1 . 2]" 1
720 1 57 SER QB 1 89 ALA MB 1.800 . 4.700 2.975 1.905 3.870 . 0 0 "[ . 1 . 2]" 1
721 1 88 ILE MG 1 90 SER H 1.800 . 6.000 4.213 2.416 5.201 . 0 0 "[ . 1 . 2]" 1
722 1 88 ILE HA 1 90 SER H 1.800 . 4.500 4.265 4.050 4.450 . 0 0 "[ . 1 . 2]" 1
723 1 88 ILE H 1 90 SER H 1.800 . 6.500 6.306 6.027 6.534 0.034 8 0 "[ . 1 . 2]" 1
724 1 88 ILE HB 1 90 SER H 1.800 . 4.000 3.628 3.328 4.164 0.164 17 0 "[ . 1 . 2]" 1
725 1 89 ALA MB 1 90 SER H 1.800 . 4.500 2.647 2.352 2.839 . 0 0 "[ . 1 . 2]" 1
726 1 89 ALA HA 1 90 SER H 1.800 . 4.000 3.536 3.503 3.568 . 0 0 "[ . 1 . 2]" 1
727 1 90 SER H 1 90 SER HB2 1.800 . 4.000 3.356 3.099 3.666 . 0 0 "[ . 1 . 2]" 1
728 1 90 SER H 1 90 SER HB3 1.800 . 3.000 2.482 2.247 2.725 . 0 0 "[ . 1 . 2]" 1
729 1 90 SER H 1 91 SER H 1.800 . 5.000 4.445 4.313 4.527 . 0 0 "[ . 1 . 2]" 1
730 1 90 SER H 1 93 ASP HB2 1.800 . 3.300 3.003 2.688 3.298 . 0 0 "[ . 1 . 2]" 1
731 1 90 SER H 1 93 ASP HB3 1.800 . 4.000 3.704 3.496 3.949 . 0 0 "[ . 1 . 2]" 1
732 1 90 SER H 1 94 LEU QD 1.800 . 5.800 4.104 3.231 4.629 . 0 0 "[ . 1 . 2]" 1
733 1 36 VAL HB 1 91 SER H 1.800 . 5.800 5.426 5.271 5.631 . 0 0 "[ . 1 . 2]" 1
734 1 89 ALA MB 1 91 SER H 1.800 . 6.500 5.790 5.629 5.951 . 0 0 "[ . 1 . 2]" 1
735 1 90 SER HA 1 91 SER H 1.800 . 3.000 2.206 2.202 2.212 . 0 0 "[ . 1 . 2]" 1
736 1 91 SER H 1 91 SER QB 1.800 . 3.300 2.306 2.155 2.479 . 0 0 "[ . 1 . 2]" 1
737 1 91 SER H 1 92 THR H 1.800 . 3.500 2.631 2.582 2.686 . 0 0 "[ . 1 . 2]" 1
738 1 91 SER H 1 93 ASP HB2 1.800 . 5.300 5.030 4.928 5.134 . 0 0 "[ . 1 . 2]" 1
739 1 91 SER H 1 93 ASP HB3 1.800 . 6.500 6.450 6.289 6.518 0.018 10 0 "[ . 1 . 2]" 1
740 1 91 SER H 1 94 LEU QD 1.800 . 5.000 3.893 3.640 4.047 . 0 0 "[ . 1 . 2]" 1
741 1 91 SER H 1 94 LEU HG 1.800 . 5.500 5.065 4.393 5.374 . 0 0 "[ . 1 . 2]" 1
742 1 91 SER HA 1 92 THR H 1.800 . 4.000 3.514 3.498 3.525 . 0 0 "[ . 1 . 2]" 1
743 1 92 THR H 1 92 THR HB 1.800 . 3.000 2.475 2.435 2.522 . 0 0 "[ . 1 . 2]" 1
744 1 92 THR H 1 94 LEU HG 1.800 . 5.000 4.790 4.256 5.009 0.009 15 0 "[ . 1 . 2]" 1
745 1 92 THR H 1 94 LEU QB 1.800 . 6.500 5.775 5.655 6.034 . 0 0 "[ . 1 . 2]" 1
746 1 92 THR HA 1 94 LEU QB 1.800 . 6.500 6.176 6.064 6.304 . 0 0 "[ . 1 . 2]" 1
747 1 89 ALA H 1 93 ASP H 1.800 . 6.000 5.672 5.370 5.911 . 0 0 "[ . 1 . 2]" 1
748 1 90 SER HA 1 93 ASP H 1.800 . 4.800 4.400 4.384 4.440 . 0 0 "[ . 1 . 2]" 1
749 1 91 SER H 1 93 ASP H 1.800 . 4.300 4.064 3.995 4.142 . 0 0 "[ . 1 . 2]" 1
750 1 92 THR H 1 93 ASP H 1.800 . 3.000 2.519 2.501 2.561 . 0 0 "[ . 1 . 2]" 1
751 1 92 THR HA 1 93 ASP H 1.800 . 4.000 3.506 3.497 3.508 . 0 0 "[ . 1 . 2]" 1
752 1 92 THR MG 1 93 ASP H 1.800 . 5.000 3.062 1.922 3.644 . 0 0 "[ . 1 . 2]" 1
753 1 92 THR HB 1 93 ASP H 1.800 . 3.800 3.141 2.803 3.913 0.113 10 0 "[ . 1 . 2]" 1
754 1 93 ASP H 1 93 ASP HB2 1.800 . 3.000 2.096 2.081 2.129 . 0 0 "[ . 1 . 2]" 1
755 1 93 ASP H 1 93 ASP HB3 1.800 . 4.000 3.358 3.299 3.434 . 0 0 "[ . 1 . 2]" 1
756 1 93 ASP H 1 94 LEU H 1.800 . 3.300 2.635 2.588 2.651 . 0 0 "[ . 1 . 2]" 1
757 1 93 ASP H 1 95 GLN H 1.800 . 4.300 3.894 3.873 3.936 . 0 0 "[ . 1 . 2]" 1
758 1 89 ALA MB 1 94 LEU H 1.800 . 6.500 5.908 5.733 6.215 . 0 0 "[ . 1 . 2]" 1
759 1 89 ALA H 1 94 LEU H 1.800 . 4.800 4.591 4.370 4.835 0.035 15 0 "[ . 1 . 2]" 1
760 1 91 SER H 1 94 LEU H 1.800 . 5.000 4.905 4.842 4.977 . 0 0 "[ . 1 . 2]" 1
761 1 94 LEU H 1 94 LEU QB 1.800 . 3.800 2.324 2.234 2.604 . 0 0 "[ . 1 . 2]" 1
762 1 94 LEU H 1 94 LEU QD 1.800 . 4.800 3.050 2.863 3.133 . 0 0 "[ . 1 . 2]" 1
763 1 94 LEU H 1 95 GLN H 1.800 . 3.300 2.572 2.565 2.618 . 0 0 "[ . 1 . 2]" 1
764 1 93 ASP HB3 1 95 GLN H 1.800 . 5.500 5.106 5.041 5.186 . 0 0 "[ . 1 . 2]" 1
765 1 94 LEU HA 1 95 GLN H 1.800 . 4.000 3.518 3.513 3.533 . 0 0 "[ . 1 . 2]" 1
766 1 94 LEU QB 1 95 GLN H 1.800 . 4.300 3.433 3.386 3.442 . 0 0 "[ . 1 . 2]" 1
767 1 94 LEU QD 1 95 GLN H 1.800 . 5.000 2.735 2.402 2.865 . 0 0 "[ . 1 . 2]" 1
768 1 95 GLN H 1 95 GLN QB 1.800 . 3.500 2.242 2.164 2.323 . 0 0 "[ . 1 . 2]" 1
769 1 92 THR HA 1 96 SER H 1.800 . 4.000 3.774 3.636 3.923 . 0 0 "[ . 1 . 2]" 1
770 1 92 THR MG 1 96 SER H 1.800 . 5.500 4.172 3.784 4.893 . 0 0 "[ . 1 . 2]" 1
771 1 92 THR H 1 96 SER H 1.800 . 6.000 5.797 5.665 5.939 . 0 0 "[ . 1 . 2]" 1
772 1 93 ASP QB 1 96 SER H 1.800 . 5.800 5.051 4.884 5.086 . 0 0 "[ . 1 . 2]" 1
773 1 94 LEU QD 1 96 SER H 1.800 . 6.000 4.509 4.317 4.593 . 0 0 "[ . 1 . 2]" 1
774 1 94 LEU HA 1 96 SER H 1.800 . 4.800 4.540 4.353 4.624 . 0 0 "[ . 1 . 2]" 1
775 1 95 GLN QB 1 96 SER H 1.800 . 4.000 2.554 2.416 3.450 . 0 0 "[ . 1 . 2]" 1
776 1 96 SER H 1 97 ALA MB 1.800 . 5.500 4.272 4.214 4.318 . 0 0 "[ . 1 . 2]" 1
777 1 96 SER H 1 100 ASN H 1.800 . 6.500 6.157 5.977 6.484 . 0 0 "[ . 1 . 2]" 1
778 1 93 ASP HA 1 97 ALA H 1.800 . 4.300 4.012 3.961 4.109 . 0 0 "[ . 1 . 2]" 1
779 1 94 LEU HA 1 97 ALA H 1.800 . 4.000 3.607 3.513 3.676 . 0 0 "[ . 1 . 2]" 1
780 1 94 LEU QB 1 97 ALA H 1.800 . 6.000 5.096 4.974 5.159 . 0 0 "[ . 1 . 2]" 1
781 1 94 LEU HG 1 97 ALA H 1.800 . 6.000 5.697 5.478 5.833 . 0 0 "[ . 1 . 2]" 1
782 1 94 LEU QD 1 97 ALA H 1.800 . 6.000 5.003 4.807 5.099 . 0 0 "[ . 1 . 2]" 1
783 1 96 SER H 1 97 ALA H 1.800 . 3.500 2.649 2.579 2.671 . 0 0 "[ . 1 . 2]" 1
784 1 97 ALA H 1 97 ALA MB 1.800 . 4.000 2.171 2.050 2.244 . 0 0 "[ . 1 . 2]" 1
785 1 94 LEU HA 1 97 ALA MB 1.800 . 4.000 2.627 2.503 2.928 . 0 0 "[ . 1 . 2]" 1
786 1 94 LEU QD 1 97 ALA MB 1.800 . 6.500 4.484 4.286 4.741 . 0 0 "[ . 1 . 2]" 1
787 1 94 LEU HA 1 98 LEU H 1.800 . 4.000 3.876 3.855 3.938 . 0 0 "[ . 1 . 2]" 1
788 1 95 GLN HA 1 98 LEU H 1.800 . 4.000 3.714 3.620 3.728 . 0 0 "[ . 1 . 2]" 1
789 1 95 GLN QB 1 98 LEU H 1.800 . 6.000 5.136 5.034 5.172 . 0 0 "[ . 1 . 2]" 1
790 1 97 ALA H 1 98 LEU H 1.800 . 3.500 2.725 2.648 2.735 . 0 0 "[ . 1 . 2]" 1
791 1 97 ALA HA 1 98 LEU H 1.800 . 4.000 3.550 3.544 3.557 . 0 0 "[ . 1 . 2]" 1
792 1 97 ALA MB 1 98 LEU H 1.800 . 4.300 2.526 2.408 2.625 . 0 0 "[ . 1 . 2]" 1
793 1 98 LEU H 1 98 LEU QB 1.800 . 3.800 2.136 2.042 2.334 . 0 0 "[ . 1 . 2]" 1
794 1 98 LEU H 1 98 LEU QD 1.800 . 5.500 2.879 2.173 3.644 . 0 0 "[ . 1 . 2]" 1
795 1 98 LEU H 1 99 TYR QB 1.800 . 5.500 4.449 4.346 4.517 . 0 0 "[ . 1 . 2]" 1
796 1 98 LEU H 1 100 ASN HB3 1.800 . 5.000 4.830 4.644 5.028 0.028 13 0 "[ . 1 . 2]" 1
797 1 98 LEU H 1 100 ASN H 1.800 . 4.000 3.790 3.715 3.942 . 0 0 "[ . 1 . 2]" 1
798 1 99 TYR H 1 100 ASN H 1.800 . 3.500 2.571 2.533 2.653 . 0 0 "[ . 1 . 2]" 1
799 1 99 TYR H 1 99 TYR QB 1.800 . 3.500 2.162 2.073 2.267 . 0 0 "[ . 1 . 2]" 1
800 1 98 LEU QB 1 99 TYR H 1.800 . 3.800 2.581 2.402 3.470 . 0 0 "[ . 1 . 2]" 1
801 1 98 LEU QD 1 99 TYR H 1.800 . 5.500 3.891 2.990 4.062 . 0 0 "[ . 1 . 2]" 1
802 1 95 GLN QG 1 99 TYR H 1.800 . 5.700 4.575 4.101 5.585 . 0 0 "[ . 1 . 2]" 1
803 1 95 GLN QB 1 99 TYR H 1.800 . 6.000 5.140 4.758 5.309 . 0 0 "[ . 1 . 2]" 1
804 1 97 ALA MB 1 100 ASN H 1.800 . 5.500 4.458 4.412 4.531 . 0 0 "[ . 1 . 2]" 1
805 1 97 ALA HA 1 100 ASN H 1.800 . 4.000 3.559 3.497 3.699 . 0 0 "[ . 1 . 2]" 1
806 1 98 LEU QD 1 100 ASN H 1.800 . 6.000 4.773 4.266 5.087 . 0 0 "[ . 1 . 2]" 1
807 1 99 TYR HA 1 100 ASN H 1.800 . 3.500 3.363 3.321 3.424 . 0 0 "[ . 1 . 2]" 1
808 1 99 TYR QB 1 100 ASN H 1.800 . 4.500 3.198 3.038 3.310 . 0 0 "[ . 1 . 2]" 1
809 1 100 ASN H 1 100 ASN HB2 1.800 . 3.500 2.918 2.802 3.079 . 0 0 "[ . 1 . 2]" 1
810 1 100 ASN H 1 100 ASN HB3 1.800 . 3.500 2.366 2.302 2.435 . 0 0 "[ . 1 . 2]" 1
811 1 100 ASN H 1 101 HIS H 1.800 . 3.300 2.517 2.430 2.667 . 0 0 "[ . 1 . 2]" 1
812 1 100 ASN H 1 103 ILE HA 1.800 . 6.500 6.469 6.221 6.515 0.015 19 0 "[ . 1 . 2]" 1
813 1 100 ASN HA 1 101 HIS H 1.800 . 4.000 3.568 3.564 3.571 . 0 0 "[ . 1 . 2]" 1
814 1 100 ASN HB3 1 101 HIS H 1.800 . 3.000 2.322 2.126 2.433 . 0 0 "[ . 1 . 2]" 1
815 1 101 HIS H 1 102 SER HB2 1.800 . 5.700 5.050 4.963 5.290 . 0 0 "[ . 1 . 2]" 1
816 1 101 HIS H 1 101 HIS QB 1.800 . 3.500 2.397 2.152 2.973 . 0 0 "[ . 1 . 2]" 1
817 1 100 ASN H 1 101 HIS HA 1.800 . 5.500 5.030 4.957 5.123 . 0 0 "[ . 1 . 2]" 1
818 1 100 ASN H 1 102 SER H 1.800 . 6.500 6.512 6.505 6.523 0.023 10 0 "[ . 1 . 2]" 1
819 1 101 HIS H 1 102 SER H 1.800 . 5.000 4.522 4.479 4.578 . 0 0 "[ . 1 . 2]" 1
820 1 101 HIS QB 1 102 SER H 1.800 . 4.500 3.164 2.782 3.466 . 0 0 "[ . 1 . 2]" 1
821 1 101 HIS HA 1 102 SER H 1.800 . 3.000 2.263 2.201 2.345 . 0 0 "[ . 1 . 2]" 1
822 1 102 SER H 1 102 SER HB2 1.800 . 3.700 3.702 3.687 3.723 0.023 17 0 "[ . 1 . 2]" 1
823 1 102 SER H 1 103 ILE H 1.800 . 3.700 3.175 2.995 3.440 . 0 0 "[ . 1 . 2]" 1
824 1 102 SER H 1 103 ILE MD 1.800 . 6.500 5.629 4.138 6.326 . 0 0 "[ . 1 . 2]" 1
825 1 102 SER H 1 103 ILE HG12 1.800 . 5.300 4.863 3.855 5.296 . 0 0 "[ . 1 . 2]" 1
826 1 102 SER H 1 105 ASP QB 1.800 . 6.300 5.099 4.954 5.170 . 0 0 "[ . 1 . 2]" 1
827 1 102 SER HA 1 103 ILE H 1.800 . 2.800 2.333 2.207 2.441 . 0 0 "[ . 1 . 2]" 1
828 1 102 SER HB2 1 103 ILE H 1.800 . 4.800 4.418 4.383 4.436 . 0 0 "[ . 1 . 2]" 1
829 1 102 SER HB3 1 103 ILE H 1.800 . 4.500 4.170 3.938 4.319 . 0 0 "[ . 1 . 2]" 1
830 1 103 ILE H 1 103 ILE HB 1.800 . 4.000 3.438 2.604 3.648 . 0 0 "[ . 1 . 2]" 1
831 1 103 ILE H 1 103 ILE HG12 1.800 . 3.500 2.495 1.934 3.379 . 0 0 "[ . 1 . 2]" 1
832 1 103 ILE H 1 103 ILE MG 1.800 . 4.000 2.791 2.440 3.798 . 0 0 "[ . 1 . 2]" 1
833 1 103 ILE H 1 103 ILE MD 1.800 . 5.000 3.631 3.239 3.736 . 0 0 "[ . 1 . 2]" 1
834 1 103 ILE H 1 104 GLY H 1.800 . 5.000 4.558 4.532 4.567 . 0 0 "[ . 1 . 2]" 1
835 1 103 ILE H 1 105 ASP H 1.800 . 4.800 4.378 4.292 4.453 . 0 0 "[ . 1 . 2]" 1
836 1 102 SER HA 1 103 ILE MD 1.800 . 6.500 5.368 4.545 5.522 . 0 0 "[ . 1 . 2]" 1
837 1 102 SER HA 1 104 GLY H 1.800 . 6.300 5.991 5.887 6.036 . 0 0 "[ . 1 . 2]" 1
838 1 103 ILE HA 1 104 GLY H 1.800 . 3.000 2.184 2.165 2.194 . 0 0 "[ . 1 . 2]" 1
839 1 103 ILE HB 1 104 GLY H 1.800 . 4.000 3.248 3.019 4.004 0.004 20 0 "[ . 1 . 2]" 1
840 1 103 ILE MG 1 104 GLY H 1.800 . 5.000 3.555 2.179 3.909 . 0 0 "[ . 1 . 2]" 1
841 1 103 ILE QG 1 104 GLY H 1.800 . 5.500 4.170 3.967 4.655 . 0 0 "[ . 1 . 2]" 1
842 1 103 ILE MD 1 104 GLY H 1.800 . 5.500 4.509 3.778 5.051 . 0 0 "[ . 1 . 2]" 1
843 1 104 GLY H 1 105 ASP HB3 1.800 . 5.500 5.146 4.824 5.504 0.004 15 0 "[ . 1 . 2]" 1
844 1 104 GLY H 1 105 ASP H 1.800 . 3.000 2.701 2.658 2.730 . 0 0 "[ . 1 . 2]" 1
845 1 104 GLY H 1 124 LEU HB3 1.800 . 4.500 3.584 2.851 4.355 . 0 0 "[ . 1 . 2]" 1
846 1 104 GLY H 1 125 ASN H 1.800 . 6.000 5.562 5.130 6.004 0.004 10 0 "[ . 1 . 2]" 1
847 1 102 SER H 1 105 ASP H 1.800 . 6.500 6.487 6.350 6.524 0.024 15 0 "[ . 1 . 2]" 1
848 1 102 SER HB3 1 105 ASP H 1.800 . 4.300 4.142 4.046 4.258 . 0 0 "[ . 1 . 2]" 1
849 1 102 SER HB2 1 105 ASP H 1.800 . 4.700 4.567 4.292 4.711 0.011 17 0 "[ . 1 . 2]" 1
850 1 103 ILE QG 1 105 ASP H 1.800 . 5.500 4.747 4.556 5.515 0.015 2 0 "[ . 1 . 2]" 1
851 1 104 GLY HA2 1 105 ASP H 1.800 . 5.000 3.092 3.051 3.140 . 0 0 "[ . 1 . 2]" 1
852 1 104 GLY HA3 1 105 ASP H 1.800 . 5.000 3.422 3.390 3.446 . 0 0 "[ . 1 . 2]" 1
853 1 105 ASP H 1 105 ASP QB 1.800 . 3.500 2.276 2.160 2.327 . 0 0 "[ . 1 . 2]" 1
854 1 105 ASP H 1 106 THR H 1.800 . 4.800 4.599 4.587 4.622 . 0 0 "[ . 1 . 2]" 1
855 1 105 ASP H 1 124 LEU H 1.800 . 5.000 4.633 4.442 5.003 0.003 9 0 "[ . 1 . 2]" 1
856 1 105 ASP H 1 124 LEU QD 1.800 . 5.000 3.439 2.879 4.329 . 0 0 "[ . 1 . 2]" 1
857 1 105 ASP HA 1 106 THR H 1.800 . 3.000 2.291 2.268 2.299 . 0 0 "[ . 1 . 2]" 1
858 1 105 ASP HB2 1 106 THR H 1.800 . 4.500 4.008 3.831 4.157 . 0 0 "[ . 1 . 2]" 1
859 1 106 THR H 1 106 THR MG 1.800 . 5.000 3.802 3.671 3.817 . 0 0 "[ . 1 . 2]" 1
860 1 106 THR H 1 106 THR HB 1.800 . 3.300 2.644 2.522 3.090 . 0 0 "[ . 1 . 2]" 1
861 1 106 THR H 1 123 LYS HB2 1.800 . 5.300 5.257 5.126 5.313 0.013 11 0 "[ . 1 . 2]" 1
862 1 106 THR H 1 124 LEU H 1.800 . 5.500 4.846 4.637 5.102 . 0 0 "[ . 1 . 2]" 1
863 1 106 THR H 1 124 LEU HB3 1.800 . 6.000 5.841 5.500 6.023 0.023 3 0 "[ . 1 . 2]" 1
864 1 106 THR MG 1 123 LYS HB2 1.800 . 4.300 3.606 3.227 3.866 . 0 0 "[ . 1 . 2]" 1
865 1 106 THR MG 1 121 SER HB3 1.800 . 6.300 4.807 4.112 5.184 . 0 0 "[ . 1 . 2]" 1
866 1 106 THR MG 1 121 SER HA 1.800 . 6.000 4.346 4.103 4.681 . 0 0 "[ . 1 . 2]" 1
867 1 106 THR MG 1 107 ILE H 1.800 . 4.000 2.368 2.114 2.635 . 0 0 "[ . 1 . 2]" 1
868 1 106 THR MG 1 124 LEU H 1.800 . 5.000 4.132 3.837 4.429 . 0 0 "[ . 1 . 2]" 1
869 1 106 THR HB 1 107 ILE H 1.800 . 4.500 3.978 3.623 4.070 . 0 0 "[ . 1 . 2]" 1
870 1 106 THR HA 1 107 ILE H 1.800 . 3.000 2.179 2.166 2.196 . 0 0 "[ . 1 . 2]" 1
871 1 107 ILE H 1 107 ILE MG 1.800 . 4.800 3.086 2.887 3.227 . 0 0 "[ . 1 . 2]" 1
872 1 107 ILE H 1 107 ILE MD 1.800 . 5.300 3.787 2.024 3.998 . 0 0 "[ . 1 . 2]" 1
873 1 107 ILE H 1 107 ILE HB 1.800 . 4.300 3.823 3.779 3.874 . 0 0 "[ . 1 . 2]" 1
874 1 107 ILE H 1 109 ILE H 1.800 . 6.500 6.357 6.122 6.597 0.097 16 0 "[ . 1 . 2]" 1
875 1 107 ILE H 1 121 SER HA 1.800 . 5.700 5.435 5.250 5.587 . 0 0 "[ . 1 . 2]" 1
876 1 107 ILE H 1 121 SER QB 1.800 . 6.000 5.500 5.189 5.668 . 0 0 "[ . 1 . 2]" 1
877 1 107 ILE H 1 122 ILE H 1.800 . 4.000 3.794 3.703 3.861 . 0 0 "[ . 1 . 2]" 1
878 1 107 ILE H 1 123 LYS HA 1.800 . 3.300 2.792 2.648 2.950 . 0 0 "[ . 1 . 2]" 1
879 1 107 ILE H 1 123 LYS HE3 1.800 . 5.700 5.663 5.418 5.717 0.017 14 0 "[ . 1 . 2]" 1
880 1 107 ILE H 1 123 LYS HB2 1.800 . 5.300 5.171 4.995 5.305 0.005 19 0 "[ . 1 . 2]" 1
881 1 107 ILE H 1 123 LYS HB3 1.800 . 4.700 4.629 4.320 4.767 0.067 13 0 "[ . 1 . 2]" 1
882 1 107 ILE MD 1 109 ILE MD 1.800 . 6.500 4.883 3.212 5.965 . 0 0 "[ . 1 . 2]" 1
883 1 107 ILE MD 1 109 ILE QG 1.800 . 6.000 4.678 3.330 5.749 . 0 0 "[ . 1 . 2]" 1
884 1 107 ILE QG 1 123 LYS HB2 1.800 . 6.500 6.024 5.564 6.517 0.017 2 0 "[ . 1 . 2]" 1
885 1 107 ILE QG 1 123 LYS HB3 1.800 . 6.500 5.861 5.591 6.108 . 0 0 "[ . 1 . 2]" 1
886 1 107 ILE QG 1 124 LEU HA 1.800 . 6.000 4.903 4.218 5.700 . 0 0 "[ . 1 . 2]" 1
887 1 107 ILE MG 1 124 LEU HB3 1.800 . 6.000 4.617 3.843 5.155 . 0 0 "[ . 1 . 2]" 1
888 1 105 ASP HB3 1 107 ILE MG 1.800 . 5.000 3.509 3.222 3.787 . 0 0 "[ . 1 . 2]" 1
889 1 105 ASP HB2 1 107 ILE MG 1.800 . 6.000 4.894 4.685 5.043 . 0 0 "[ . 1 . 2]" 1
890 1 83 VAL H 1 108 LYS H 1.800 . 6.500 6.545 6.511 6.629 0.129 15 0 "[ . 1 . 2]" 1
891 1 83 VAL QG 1 108 LYS H 1.800 . 5.000 3.904 3.379 4.984 . 0 0 "[ . 1 . 2]" 1
892 1 84 ASP H 1 108 LYS H 1.800 . 3.000 2.508 2.358 2.695 . 0 0 "[ . 1 . 2]" 1
893 1 84 ASP HA 1 108 LYS H 1.800 . 3.000 2.190 1.944 2.518 . 0 0 "[ . 1 . 2]" 1
894 1 107 ILE HB 1 108 LYS H 1.800 . 3.000 2.400 2.384 2.566 . 0 0 "[ . 1 . 2]" 1
895 1 107 ILE MD 1 108 LYS H 1.800 . 5.800 3.953 2.900 4.687 . 0 0 "[ . 1 . 2]" 1
896 1 107 ILE HA 1 108 LYS H 1.800 . 3.000 2.393 2.327 2.403 . 0 0 "[ . 1 . 2]" 1
897 1 108 LYS H 1 108 LYS HD2 1.800 . 5.000 4.861 4.578 5.362 0.362 19 0 "[ . 1 . 2]" 1
898 1 108 LYS H 1 108 LYS QE 1.800 . 5.500 4.758 3.838 5.720 0.220 19 0 "[ . 1 . 2]" 1
899 1 108 LYS H 1 109 ILE H 1.800 . 4.800 4.402 4.354 4.458 . 0 0 "[ . 1 . 2]" 1
900 1 108 LYS H 1 121 SER QB 1.800 . 6.500 5.898 5.541 6.112 . 0 0 "[ . 1 . 2]" 1
901 1 108 LYS H 1 121 SER HA 1.800 . 5.500 5.155 4.999 5.303 . 0 0 "[ . 1 . 2]" 1
902 1 83 VAL HA 1 109 ILE H 1.800 . 5.300 4.932 4.720 5.143 . 0 0 "[ . 1 . 2]" 1
903 1 84 ASP HA 1 109 ILE H 1.800 . 6.500 6.143 5.915 6.333 . 0 0 "[ . 1 . 2]" 1
904 1 108 LYS QE 1 109 ILE H 1.800 . 4.500 4.333 3.846 4.646 0.146 16 0 "[ . 1 . 2]" 1
905 1 108 LYS HA 1 109 ILE H 1.800 . 3.000 2.167 2.141 2.206 . 0 0 "[ . 1 . 2]" 1
906 1 108 LYS QD 1 109 ILE H 1.800 . 4.700 2.815 2.312 3.605 . 0 0 "[ . 1 . 2]" 1
907 1 108 LYS QG 1 109 ILE H 1.800 . 4.000 3.461 2.900 4.150 0.150 13 0 "[ . 1 . 2]" 1
908 1 109 ILE H 1 109 ILE MD 1.800 . 5.000 3.487 1.981 3.700 . 0 0 "[ . 1 . 2]" 1
909 1 109 ILE H 1 109 ILE HB 1.800 . 4.000 3.673 3.653 3.714 . 0 0 "[ . 1 . 2]" 1
910 1 109 ILE H 1 110 THR H 1.800 . 5.000 4.410 4.331 4.464 . 0 0 "[ . 1 . 2]" 1
911 1 109 ILE H 1 120 THR H 1.800 . 3.700 3.281 2.993 3.492 . 0 0 "[ . 1 . 2]" 1
912 1 109 ILE H 1 120 THR HB 1.800 . 4.500 4.088 3.386 4.525 0.025 19 0 "[ . 1 . 2]" 1
913 1 109 ILE H 1 121 SER H 1.800 . 5.300 5.059 4.971 5.112 . 0 0 "[ . 1 . 2]" 1
914 1 109 ILE H 1 121 SER HA 1.800 . 3.800 3.465 3.234 3.681 . 0 0 "[ . 1 . 2]" 1
915 1 109 ILE H 1 121 SER HB2 1.800 . 6.000 5.829 5.518 6.021 0.021 16 0 "[ . 1 . 2]" 1
916 1 109 ILE H 1 121 SER HB3 1.800 . 5.800 5.675 5.256 5.830 0.030 16 0 "[ . 1 . 2]" 1
917 1 107 ILE HA 1 109 ILE MG 1.800 . 6.500 5.818 5.646 6.048 . 0 0 "[ . 1 . 2]" 1
918 1 108 LYS QB 1 109 ILE MG 1.800 . 6.500 4.917 4.841 5.108 . 0 0 "[ . 1 . 2]" 1
919 1 109 ILE MG 1 110 THR HA 1.800 . 6.500 5.491 5.459 5.539 . 0 0 "[ . 1 . 2]" 1
920 1 109 ILE MG 1 110 THR H 1.800 . 5.000 3.827 3.774 3.913 . 0 0 "[ . 1 . 2]" 1
921 1 109 ILE MG 1 111 TYR QB 1.800 . 6.500 5.528 5.353 5.623 . 0 0 "[ . 1 . 2]" 1
922 1 109 ILE MG 1 122 ILE MG 1.800 . 4.500 2.180 1.841 3.257 . 0 0 "[ . 1 . 2]" 1
923 1 82 LYS H 1 110 THR H 1.800 . 4.000 3.349 3.115 3.576 . 0 0 "[ . 1 . 2]" 1
924 1 82 LYS HA 1 110 THR H 1.800 . 5.500 4.920 4.615 5.164 . 0 0 "[ . 1 . 2]" 1
925 1 82 LYS HB3 1 110 THR H 1.800 . 4.000 3.451 2.757 3.978 . 0 0 "[ . 1 . 2]" 1
926 1 84 ASP H 1 110 THR H 1.800 . 5.300 4.884 4.598 5.134 . 0 0 "[ . 1 . 2]" 1
927 1 108 LYS H 1 110 THR H 1.800 . 6.500 6.467 6.303 6.547 0.047 19 0 "[ . 1 . 2]" 1
928 1 109 ILE HA 1 110 THR H 1.800 . 3.000 2.146 2.138 2.154 . 0 0 "[ . 1 . 2]" 1
929 1 109 ILE QG 1 110 THR H 1.800 . 5.300 4.293 4.186 4.389 . 0 0 "[ . 1 . 2]" 1
930 1 110 THR H 1 110 THR HB 1.800 . 3.300 2.644 2.489 3.016 . 0 0 "[ . 1 . 2]" 1
931 1 110 THR H 1 110 THR MG 1.800 . 5.000 3.840 3.764 3.917 . 0 0 "[ . 1 . 2]" 1
932 1 110 THR MG 1 111 TYR H 1.800 . 4.800 2.772 2.626 2.949 . 0 0 "[ . 1 . 2]" 1
933 1 110 THR HA 1 111 TYR H 1.800 . 3.000 2.144 2.142 2.146 . 0 0 "[ . 1 . 2]" 1
934 1 111 TYR H 1 112 TYR H 1.800 . 4.800 4.463 4.443 4.496 . 0 0 "[ . 1 . 2]" 1
935 1 111 TYR H 1 118 GLU H 1.800 . 4.000 3.616 3.368 3.771 . 0 0 "[ . 1 . 2]" 1
936 1 111 TYR H 1 118 GLU HB2 1.800 . 4.500 4.230 3.688 4.499 . 0 0 "[ . 1 . 2]" 1
937 1 111 TYR H 1 120 THR H 1.800 . 5.000 4.784 4.466 5.012 0.012 7 0 "[ . 1 . 2]" 1
938 1 79 VAL HB 1 112 TYR H 1.800 . 3.300 2.725 2.521 2.964 . 0 0 "[ . 1 . 2]" 1
939 1 79 VAL MG1 1 112 TYR H 1.800 . 5.300 3.806 3.478 4.064 . 0 0 "[ . 1 . 2]" 1
940 1 80 ILE HA 1 112 TYR H 1.800 . 4.000 3.882 3.776 4.003 0.003 7 0 "[ . 1 . 2]" 1
941 1 81 THR MG 1 112 TYR H 1.800 . 5.500 4.375 3.896 5.505 0.005 13 0 "[ . 1 . 2]" 1
942 1 111 TYR HA 1 112 TYR H 1.800 . 3.000 2.474 2.385 2.543 . 0 0 "[ . 1 . 2]" 1
943 1 111 TYR QB 1 112 TYR H 1.800 . 4.000 2.251 2.107 2.441 . 0 0 "[ . 1 . 2]" 1
944 1 112 TYR H 1 113 ARG H 1.800 . 4.700 4.344 4.285 4.425 . 0 0 "[ . 1 . 2]" 1
945 1 112 TYR H 1 117 GLU HG2 1.800 . 6.500 6.343 5.819 6.504 0.004 14 0 "[ . 1 . 2]" 1
946 1 112 TYR HA 1 113 ARG H 1.800 . 3.000 2.176 2.146 2.226 . 0 0 "[ . 1 . 2]" 1
947 1 112 TYR QB 1 113 ARG H 1.800 . 4.500 3.099 2.952 3.250 . 0 0 "[ . 1 . 2]" 1
948 1 113 ARG H 1 113 ARG QG 1.800 . 4.500 3.612 1.906 4.220 . 0 0 "[ . 1 . 2]" 1
949 1 113 ARG H 1 113 ARG HB2 1.800 . 3.500 3.315 3.081 3.651 0.151 16 0 "[ . 1 . 2]" 1
950 1 113 ARG H 1 113 ARG QD 1.800 . 5.500 4.259 3.865 4.778 . 0 0 "[ . 1 . 2]" 1
951 1 113 ARG H 1 114 ASN HB3 1.800 . 5.700 5.477 5.317 5.652 . 0 0 "[ . 1 . 2]" 1
952 1 113 ARG H 1 114 ASN H 1.800 . 4.500 4.151 4.096 4.242 . 0 0 "[ . 1 . 2]" 1
953 1 113 ARG H 1 116 LYS H 1.800 . 3.500 2.694 2.505 2.841 . 0 0 "[ . 1 . 2]" 1
954 1 113 ARG H 1 117 GLU H 1.800 . 5.500 4.854 4.680 5.085 . 0 0 "[ . 1 . 2]" 1
955 1 113 ARG H 1 117 GLU HA 1.800 . 4.500 4.010 3.747 4.319 . 0 0 "[ . 1 . 2]" 1
956 1 79 VAL MG2 1 114 ASN H 1.800 . 6.300 4.773 4.218 5.178 . 0 0 "[ . 1 . 2]" 1
957 1 112 TYR HA 1 114 ASN H 1.800 . 6.000 5.777 5.715 5.852 . 0 0 "[ . 1 . 2]" 1
958 1 113 ARG HA 1 114 ASN H 1.800 . 3.000 2.144 2.143 2.145 . 0 0 "[ . 1 . 2]" 1
959 1 113 ARG HB3 1 114 ASN H 1.800 . 5.000 4.317 4.148 4.414 . 0 0 "[ . 1 . 2]" 1
960 1 113 ARG QG 1 114 ASN H 1.800 . 5.000 3.428 2.883 4.549 . 0 0 "[ . 1 . 2]" 1
961 1 113 ARG HB2 1 114 ASN H 1.800 . 4.700 4.163 3.620 4.420 . 0 0 "[ . 1 . 2]" 1
962 1 114 ASN H 1 114 ASN HA 1.800 . 3.000 2.277 2.274 2.279 . 0 0 "[ . 1 . 2]" 1
963 1 114 ASN H 1 114 ASN HB3 1.800 . 4.000 3.777 3.642 3.976 . 0 0 "[ . 1 . 2]" 1
964 1 114 ASN H 1 115 GLY H 1.800 . 3.800 2.770 2.608 2.831 . 0 0 "[ . 1 . 2]" 1
965 1 114 ASN H 1 115 GLY HA2 1.800 . 5.300 5.078 4.913 5.128 . 0 0 "[ . 1 . 2]" 1
966 1 114 ASN H 1 115 GLY HA3 1.800 . 5.500 5.368 5.222 5.414 . 0 0 "[ . 1 . 2]" 1
967 1 114 ASN H 1 116 LYS H 1.800 . 4.300 3.966 3.930 4.070 . 0 0 "[ . 1 . 2]" 1
968 1 50 ASN HB2 1 115 GLY H 1.800 . 6.000 6.033 6.012 6.057 0.057 1 0 "[ . 1 . 2]" 1
969 1 79 VAL MG2 1 115 GLY H 1.800 . 6.500 6.059 5.444 6.401 . 0 0 "[ . 1 . 2]" 1
970 1 112 TYR HA 1 115 GLY H 1.800 . 5.300 5.126 4.755 5.316 0.016 6 0 "[ . 1 . 2]" 1
971 1 113 ARG QG 1 115 GLY H 1.800 . 5.700 5.030 4.753 5.332 . 0 0 "[ . 1 . 2]" 1
972 1 113 ARG HA 1 115 GLY H 1.800 . 4.000 3.889 3.597 4.010 0.010 10 0 "[ . 1 . 2]" 1
973 1 113 ARG H 1 115 GLY H 1.800 . 4.000 3.910 3.497 4.018 0.018 20 0 "[ . 1 . 2]" 1
974 1 114 ASN HA 1 115 GLY H 1.800 . 4.000 2.828 2.753 3.029 . 0 0 "[ . 1 . 2]" 1
975 1 114 ASN HB3 1 115 GLY H 1.800 . 4.300 4.192 4.048 4.255 . 0 0 "[ . 1 . 2]" 1
976 1 114 ASN HB2 1 115 GLY H 1.800 . 4.800 4.527 4.258 4.613 . 0 0 "[ . 1 . 2]" 1
977 1 115 GLY H 1 115 GLY HA2 1.800 . 3.000 2.317 2.302 2.348 . 0 0 "[ . 1 . 2]" 1
978 1 115 GLY H 1 116 LYS H 1.800 . 3.300 2.487 2.328 2.590 . 0 0 "[ . 1 . 2]" 1
979 1 112 TYR HA 1 116 LYS H 1.800 . 4.500 4.250 4.073 4.410 . 0 0 "[ . 1 . 2]" 1
980 1 115 GLY HA2 1 116 LYS H 1.800 . 3.800 3.132 3.130 3.140 . 0 0 "[ . 1 . 2]" 1
981 1 115 GLY HA3 1 116 LYS H 1.800 . 3.500 3.396 3.391 3.397 . 0 0 "[ . 1 . 2]" 1
982 1 116 LYS H 1 116 LYS QG 1.800 . 5.000 3.618 2.493 4.173 . 0 0 "[ . 1 . 2]" 1
983 1 116 LYS H 1 117 GLU H 1.800 . 5.000 4.268 4.160 4.498 . 0 0 "[ . 1 . 2]" 1
984 1 114 ASN HA 1 116 LYS QD 1.800 . 6.500 6.130 4.120 6.506 0.006 4 0 "[ . 1 . 2]" 1
985 1 112 TYR HA 1 117 GLU H 1.800 . 5.300 4.822 4.683 5.101 . 0 0 "[ . 1 . 2]" 1
986 1 112 TYR QB 1 117 GLU H 1.800 . 5.700 4.876 4.181 5.703 0.003 9 0 "[ . 1 . 2]" 1
987 1 116 LYS HA 1 117 GLU H 1.800 . 3.000 2.158 2.142 2.203 . 0 0 "[ . 1 . 2]" 1
988 1 116 LYS QE 1 117 GLU H 1.800 . 6.000 5.099 3.749 5.994 . 0 0 "[ . 1 . 2]" 1
989 1 116 LYS QD 1 117 GLU H 1.800 . 5.500 4.938 4.068 5.421 . 0 0 "[ . 1 . 2]" 1
990 1 117 GLU H 1 117 GLU HG2 1.800 . 4.500 3.989 3.810 4.174 . 0 0 "[ . 1 . 2]" 1
991 1 117 GLU H 1 117 GLU HB2 1.800 . 3.000 2.205 2.066 2.405 . 0 0 "[ . 1 . 2]" 1
992 1 117 GLU H 1 118 GLU H 1.800 . 5.000 4.540 4.473 4.598 . 0 0 "[ . 1 . 2]" 1
993 1 110 THR MG 1 118 GLU H 1.800 . 5.000 3.497 3.055 3.871 . 0 0 "[ . 1 . 2]" 1
994 1 111 TYR HA 1 118 GLU H 1.800 . 5.500 5.065 4.933 5.152 . 0 0 "[ . 1 . 2]" 1
995 1 112 TYR H 1 118 GLU H 1.800 . 5.500 5.019 4.928 5.090 . 0 0 "[ . 1 . 2]" 1
996 1 112 TYR HA 1 118 GLU H 1.800 . 3.500 3.142 2.931 3.405 . 0 0 "[ . 1 . 2]" 1
997 1 112 TYR QB 1 118 GLU H 1.800 . 5.500 4.560 3.978 5.270 . 0 0 "[ . 1 . 2]" 1
998 1 116 LYS HA 1 118 GLU H 1.800 . 6.300 5.951 5.829 6.083 . 0 0 "[ . 1 . 2]" 1
999 1 117 GLU HA 1 118 GLU H 1.800 . 3.000 2.158 2.141 2.188 . 0 0 "[ . 1 . 2]" 1
1000 1 117 GLU HG3 1 118 GLU H 1.800 . 4.800 4.742 4.472 4.802 0.002 19 0 "[ . 1 . 2]" 1
1001 1 117 GLU HB2 1 118 GLU H 1.800 . 4.700 4.376 4.236 4.525 . 0 0 "[ . 1 . 2]" 1
1002 1 118 GLU H 1 118 GLU HB2 1.800 . 3.000 2.700 2.550 2.872 . 0 0 "[ . 1 . 2]" 1
1003 1 118 GLU H 1 118 GLU QG 1.800 . 4.800 3.531 3.121 4.157 . 0 0 "[ . 1 . 2]" 1
1004 1 118 GLU H 1 119 THR H 1.800 . 4.500 4.136 3.977 4.246 . 0 0 "[ . 1 . 2]" 1
1005 1 118 GLU H 1 119 THR HA 1.800 . 5.000 4.686 4.600 4.749 . 0 0 "[ . 1 . 2]" 1
1006 1 118 GLU H 1 119 THR MG 1.800 . 5.000 3.711 3.461 4.134 . 0 0 "[ . 1 . 2]" 1
1007 1 110 THR HA 1 119 THR H 1.800 . 5.000 4.826 4.565 5.018 0.018 16 0 "[ . 1 . 2]" 1
1008 1 117 GLU HA 1 119 THR H 1.800 . 6.000 5.866 5.582 6.041 0.041 13 0 "[ . 1 . 2]" 1
1009 1 117 GLU HB2 1 119 THR H 1.800 . 6.500 6.456 6.324 6.511 0.011 12 0 "[ . 1 . 2]" 1
1010 1 118 GLU QG 1 119 THR H 1.800 . 5.000 4.224 3.433 4.701 . 0 0 "[ . 1 . 2]" 1
1011 1 118 GLU HB3 1 119 THR H 1.800 . 4.000 3.487 3.247 3.709 . 0 0 "[ . 1 . 2]" 1
1012 1 118 GLU HA 1 119 THR H 1.800 . 3.500 2.145 2.137 2.162 . 0 0 "[ . 1 . 2]" 1
1013 1 118 GLU HB2 1 119 THR H 1.800 . 4.500 4.405 4.175 4.511 0.011 14 0 "[ . 1 . 2]" 1
1014 1 119 THR H 1 119 THR HB 1.800 . 4.300 3.786 3.661 3.861 . 0 0 "[ . 1 . 2]" 1
1015 1 119 THR H 1 119 THR MG 1.800 . 4.800 2.694 2.517 2.989 . 0 0 "[ . 1 . 2]" 1
1016 1 119 THR H 1 120 THR H 1.800 . 4.800 4.492 4.450 4.527 . 0 0 "[ . 1 . 2]" 1
1017 1 108 LYS HD3 1 119 THR HB 1.800 . 3.500 2.601 2.000 3.542 0.042 19 0 "[ . 1 . 2]" 1
1018 1 108 LYS HD2 1 119 THR HB 1.800 . 3.700 2.742 2.224 3.304 . 0 0 "[ . 1 . 2]" 1
1019 1 108 LYS QE 1 119 THR HB 1.800 . 4.000 2.589 2.033 4.012 0.012 3 0 "[ . 1 . 2]" 1
1020 1 110 THR HA 1 119 THR HB 1.800 . 4.300 3.499 2.830 4.158 . 0 0 "[ . 1 . 2]" 1
1021 1 108 LYS HD2 1 119 THR MG 1.800 . 6.000 3.849 3.266 4.092 . 0 0 "[ . 1 . 2]" 1
1022 1 108 LYS QE 1 119 THR MG 1.800 . 4.500 2.775 1.932 4.003 . 0 0 "[ . 1 . 2]" 1
1023 1 109 ILE H 1 119 THR MG 1.800 . 6.500 5.754 5.370 6.032 . 0 0 "[ . 1 . 2]" 1
1024 1 110 THR HA 1 119 THR MG 1.800 . 4.000 2.648 2.126 3.160 . 0 0 "[ . 1 . 2]" 1
1025 1 119 THR MG 1 120 THR HA 1.800 . 6.500 5.442 5.378 5.461 . 0 0 "[ . 1 . 2]" 1
1026 1 108 LYS QE 1 120 THR H 1.800 . 4.500 4.117 3.050 4.559 0.059 13 0 "[ . 1 . 2]" 1
1027 1 108 LYS HD2 1 120 THR H 1.800 . 3.500 3.046 2.718 3.536 0.036 13 0 "[ . 1 . 2]" 1
1028 1 109 ILE HB 1 120 THR H 1.800 . 5.000 4.782 4.527 5.016 0.016 13 0 "[ . 1 . 2]" 1
1029 1 109 ILE MD 1 120 THR H 1.800 . 5.000 3.875 3.276 4.531 . 0 0 "[ . 1 . 2]" 1
1030 1 110 THR HA 1 120 THR H 1.800 . 4.000 3.596 3.402 3.868 . 0 0 "[ . 1 . 2]" 1
1031 1 119 THR HA 1 120 THR H 1.800 . 3.000 2.266 2.190 2.356 . 0 0 "[ . 1 . 2]" 1
1032 1 119 THR HB 1 120 THR H 1.800 . 3.500 2.787 2.558 3.056 . 0 0 "[ . 1 . 2]" 1
1033 1 119 THR MG 1 120 THR H 1.800 . 5.000 3.936 3.656 4.035 . 0 0 "[ . 1 . 2]" 1
1034 1 120 THR H 1 120 THR HB 1.800 . 4.000 3.016 2.805 3.197 . 0 0 "[ . 1 . 2]" 1
1035 1 120 THR H 1 121 SER H 1.800 . 4.500 4.368 4.355 4.412 . 0 0 "[ . 1 . 2]" 1
1036 1 108 LYS QD 1 120 THR MG 1.800 . 6.500 5.134 4.649 6.201 . 0 0 "[ . 1 . 2]" 1
1037 1 109 ILE MD 1 120 THR MG 1.800 . 5.500 3.372 3.026 3.762 . 0 0 "[ . 1 . 2]" 1
1038 1 120 THR MG 1 122 ILE QG 1.800 . 6.500 5.199 3.836 5.851 . 0 0 "[ . 1 . 2]" 1
1039 1 120 THR MG 1 122 ILE MG 1.800 . 6.500 4.627 3.814 5.279 . 0 0 "[ . 1 . 2]" 1
1040 1 120 THR HB 1 121 SER H 1.800 . 4.500 3.670 3.465 3.839 . 0 0 "[ . 1 . 2]" 1
1041 1 120 THR HA 1 121 SER H 1.800 . 3.000 2.262 2.258 2.267 . 0 0 "[ . 1 . 2]" 1
1042 1 120 THR MG 1 121 SER H 1.800 . 4.000 2.141 1.930 2.377 . 0 0 "[ . 1 . 2]" 1
1043 1 121 SER H 1 122 ILE H 1.800 . 5.000 4.454 4.370 4.492 . 0 0 "[ . 1 . 2]" 1
1044 1 106 THR MG 1 121 SER HB2 1.800 . 4.500 3.468 3.094 3.680 . 0 0 "[ . 1 . 2]" 1
1045 1 107 ILE QG 1 122 ILE H 1.800 . 5.300 3.785 3.384 4.067 . 0 0 "[ . 1 . 2]" 1
1046 1 108 LYS HA 1 122 ILE H 1.800 . 3.500 2.876 2.773 3.099 . 0 0 "[ . 1 . 2]" 1
1047 1 121 SER HB3 1 122 ILE H 1.800 . 4.700 4.301 4.122 4.448 . 0 0 "[ . 1 . 2]" 1
1048 1 121 SER HA 1 122 ILE H 1.800 . 3.000 2.149 2.140 2.160 . 0 0 "[ . 1 . 2]" 1
1049 1 122 ILE H 1 122 ILE MG 1.800 . 4.000 2.195 1.948 2.949 . 0 0 "[ . 1 . 2]" 1
1050 1 122 ILE H 1 122 ILE MD 1.800 . 6.000 4.611 3.997 4.801 . 0 0 "[ . 1 . 2]" 1
1051 1 122 ILE H 1 122 ILE HB 1.800 . 3.800 3.197 2.762 3.300 . 0 0 "[ . 1 . 2]" 1
1052 1 31 LEU QD 1 122 ILE QG 1.800 . 4.000 2.761 1.794 3.592 0.006 17 0 "[ . 1 . 2]" 1
1053 1 69 PRO HA 1 122 ILE QG 1.800 . 6.500 6.147 5.600 6.527 0.027 18 0 "[ . 1 . 2]" 1
1054 1 69 PRO HB3 1 122 ILE QG 1.800 . 6.000 4.906 4.249 5.454 . 0 0 "[ . 1 . 2]" 1
1055 1 122 ILE H 1 122 ILE QG 1.800 . 5.000 4.128 4.046 4.242 . 0 0 "[ . 1 . 2]" 1
1056 1 122 ILE QG 1 123 LYS QD 1.800 . 6.500 4.776 3.751 5.328 . 0 0 "[ . 1 . 2]" 1
1057 1 31 LEU QB 1 122 ILE MG 1.800 . 6.500 5.164 3.713 6.101 . 0 0 "[ . 1 . 2]" 1
1058 1 31 LEU HG 1 122 ILE MG 1.800 . 6.000 5.084 3.580 6.001 0.001 20 0 "[ . 1 . 2]" 1
1059 1 109 ILE MD 1 122 ILE MG 1.800 . 5.500 2.914 1.844 3.823 . 0 0 "[ . 1 . 2]" 1
1060 1 109 ILE HB 1 122 ILE MG 1.800 . 5.800 4.460 4.122 5.608 . 0 0 "[ . 1 . 2]" 1
1061 1 106 THR HA 1 123 LYS H 1.800 . 5.000 4.818 4.730 4.865 . 0 0 "[ . 1 . 2]" 1
1062 1 122 ILE HA 1 123 LYS H 1.800 . 3.000 2.182 2.150 2.212 . 0 0 "[ . 1 . 2]" 1
1063 1 122 ILE H 1 123 LYS H 1.800 . 4.800 4.322 4.255 4.364 . 0 0 "[ . 1 . 2]" 1
1064 1 122 ILE MG 1 123 LYS H 1.800 . 4.800 3.807 2.891 3.991 . 0 0 "[ . 1 . 2]" 1
1065 1 122 ILE MD 1 123 LYS H 1.800 . 5.000 3.587 1.831 4.322 . 0 0 "[ . 1 . 2]" 1
1066 1 123 LYS H 1 123 LYS QE 1.800 . 4.000 2.425 1.939 3.826 . 0 0 "[ . 1 . 2]" 1
1067 1 123 LYS H 1 123 LYS HB2 1.800 . 4.000 3.654 3.640 3.666 . 0 0 "[ . 1 . 2]" 1
1068 1 123 LYS H 1 123 LYS QG 1.800 . 4.500 2.002 1.933 2.176 . 0 0 "[ . 1 . 2]" 1
1069 1 104 GLY HA3 1 124 LEU H 1.800 . 6.000 5.991 5.893 6.021 0.021 10 0 "[ . 1 . 2]" 1
1070 1 106 THR HA 1 124 LEU H 1.800 . 3.500 2.749 2.593 3.020 . 0 0 "[ . 1 . 2]" 1
1071 1 123 LYS H 1 124 LEU H 1.800 . 4.700 4.458 4.408 4.497 . 0 0 "[ . 1 . 2]" 1
1072 1 123 LYS HA 1 124 LEU H 1.800 . 3.000 2.161 2.146 2.164 . 0 0 "[ . 1 . 2]" 1
1073 1 123 LYS QE 1 124 LEU H 1.800 . 6.000 5.609 5.448 5.664 . 0 0 "[ . 1 . 2]" 1
1074 1 123 LYS HB2 1 124 LEU H 1.800 . 4.000 3.241 3.212 3.369 . 0 0 "[ . 1 . 2]" 1
1075 1 123 LYS QG 1 124 LEU H 1.800 . 5.000 4.249 4.179 4.319 . 0 0 "[ . 1 . 2]" 1
1076 1 124 LEU H 1 124 LEU QD 1.800 . 4.800 3.567 3.287 3.730 . 0 0 "[ . 1 . 2]" 1
1077 1 124 LEU H 1 124 LEU HB3 1.800 . 3.000 2.541 2.254 3.009 0.009 13 0 "[ . 1 . 2]" 1
1078 1 124 LEU H 1 125 ASN H 1.800 . 5.000 4.576 4.232 4.604 . 0 0 "[ . 1 . 2]" 1
1079 1 103 ILE HB 1 124 LEU QD 1.800 . 6.300 4.671 3.918 6.297 . 0 0 "[ . 1 . 2]" 1
1080 1 30 ALA HA 1 124 LEU QD 1.800 . 6.500 5.398 4.598 6.258 . 0 0 "[ . 1 . 2]" 1
1081 1 104 GLY HA3 1 125 ASN H 1.800 . 6.500 6.397 6.196 6.526 0.026 15 0 "[ . 1 . 2]" 1
1082 1 123 LYS HA 1 125 ASN H 1.800 . 6.500 6.122 5.430 6.180 . 0 0 "[ . 1 . 2]" 1
1083 1 124 LEU HA 1 125 ASN H 1.800 . 3.000 2.209 2.166 2.220 . 0 0 "[ . 1 . 2]" 1
1084 1 124 LEU HB2 1 125 ASN H 1.800 . 4.500 4.106 3.879 4.506 0.006 10 0 "[ . 1 . 2]" 1
1085 1 124 LEU QD 1 125 ASN H 1.800 . 5.500 2.483 1.843 3.095 . 0 0 "[ . 1 . 2]" 1
1086 1 125 ASN H 1 125 ASN HB2 1.800 . 4.000 3.275 2.930 3.667 . 0 0 "[ . 1 . 2]" 1
1087 1 125 ASN H 1 125 ASN HB3 1.800 . 3.500 2.398 2.269 2.681 . 0 0 "[ . 1 . 2]" 1
1088 1 125 ASN H 1 126 LYS H 1.800 . 4.800 4.528 4.465 4.594 . 0 0 "[ . 1 . 2]" 1
1089 1 104 GLY H 1 126 LYS H 1.800 . 4.700 4.598 3.729 4.707 0.007 14 0 "[ . 1 . 2]" 1
1090 1 104 GLY HA3 1 126 LYS H 1.800 . 4.000 3.907 3.563 4.005 0.005 14 0 "[ . 1 . 2]" 1
1091 1 124 LEU QD 1 126 LYS H 1.800 . 5.800 3.955 3.402 4.717 . 0 0 "[ . 1 . 2]" 1
1092 1 125 ASN HA 1 126 LYS H 1.800 . 3.000 2.167 2.146 2.188 . 0 0 "[ . 1 . 2]" 1
1093 1 125 ASN HB2 1 126 LYS H 1.800 . 4.000 3.656 3.134 4.019 0.019 3 0 "[ . 1 . 2]" 1
1094 1 125 ASN HB3 1 126 LYS H 1.800 . 4.800 4.283 4.219 4.323 . 0 0 "[ . 1 . 2]" 1
1095 1 126 LYS H 1 126 LYS QE 1.800 . 5.300 4.545 3.862 5.183 . 0 0 "[ . 1 . 2]" 1
1096 1 126 LYS H 1 126 LYS HB2 1.800 . 4.000 3.606 3.162 3.689 . 0 0 "[ . 1 . 2]" 1
1097 1 126 LYS H 1 127 LEU H 1.800 . 5.000 4.546 4.364 4.580 . 0 0 "[ . 1 . 2]" 1
1098 1 126 LYS HA 1 127 LEU H 1.800 . 3.000 2.260 2.180 2.342 . 0 0 "[ . 1 . 2]" 1
1099 1 126 LYS QE 1 127 LEU H 1.800 . 5.500 4.728 1.949 5.447 . 0 0 "[ . 1 . 2]" 1
1100 1 126 LYS HB3 1 127 LEU H 1.800 . 4.500 3.977 3.782 4.186 . 0 0 "[ . 1 . 2]" 1
1101 1 127 LEU H 1 127 LEU HB3 1.800 . 4.000 3.376 2.487 3.991 . 0 0 "[ . 1 . 2]" 1
1102 1 127 LEU H 1 127 LEU QD 1.800 . 5.800 3.572 2.594 4.142 . 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 34
_Distance_constraint_stats_list.Viol_count 680
_Distance_constraint_stats_list.Viol_total 515.907
_Distance_constraint_stats_list.Viol_max 0.123
_Distance_constraint_stats_list.Viol_rms 0.0218
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0379
_Distance_constraint_stats_list.Viol_average_violations_only 0.0379
_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 34 GLN 1.173 0.064 11 0 "[ . 1 . 2]"
1 36 VAL 3.779 0.089 4 0 "[ . 1 . 2]"
1 59 VAL 1.411 0.089 8 0 "[ . 1 . 2]"
1 60 ILE 3.779 0.089 4 0 "[ . 1 . 2]"
1 61 VAL 1.308 0.092 20 0 "[ . 1 . 2]"
1 62 ARG 1.173 0.064 11 0 "[ . 1 . 2]"
1 78 ASP 1.308 0.092 20 0 "[ . 1 . 2]"
1 80 ILE 1.411 0.089 8 0 "[ . 1 . 2]"
1 90 SER 1.499 0.118 15 0 "[ . 1 . 2]"
1 91 SER 2.719 0.083 1 0 "[ . 1 . 2]"
1 93 ASP 1.298 0.095 13 0 "[ . 1 . 2]"
1 94 LEU 2.903 0.118 15 0 "[ . 1 . 2]"
1 95 GLN 3.897 0.090 13 0 "[ . 1 . 2]"
1 97 ALA 1.298 0.095 13 0 "[ . 1 . 2]"
1 98 LEU 1.403 0.055 15 0 "[ . 1 . 2]"
1 99 TYR 1.179 0.090 13 0 "[ . 1 . 2]"
1 107 ILE 2.723 0.078 19 0 "[ . 1 . 2]"
1 109 ILE 3.741 0.123 16 0 "[ . 1 . 2]"
1 111 TYR 2.738 0.070 16 0 "[ . 1 . 2]"
1 113 ARG 0.822 0.040 20 0 "[ . 1 . 2]"
1 116 LYS 0.822 0.040 20 0 "[ . 1 . 2]"
1 118 GLU 2.738 0.070 16 0 "[ . 1 . 2]"
1 120 THR 3.741 0.123 16 0 "[ . 1 . 2]"
1 122 ILE 2.723 0.078 19 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 59 VAL H 1 80 ILE O 2.000 . 2.000 2.045 2.019 2.089 0.089 8 0 "[ . 1 . 2]" 2
2 1 59 VAL N 1 80 ILE O 3.000 3.000 3.000 2.975 2.938 3.008 0.062 2 0 "[ . 1 . 2]" 2
3 1 34 GLN O 1 62 ARG H 2.000 . 2.000 2.025 1.997 2.042 0.042 7 0 "[ . 1 . 2]" 2
4 1 34 GLN O 1 62 ARG N 3.000 3.000 3.000 2.967 2.936 2.991 0.064 11 0 "[ . 1 . 2]" 2
5 1 36 VAL O 1 60 ILE H 2.000 . 2.000 2.038 2.003 2.084 0.084 8 0 "[ . 1 . 2]" 2
6 1 36 VAL O 1 60 ILE N 3.000 3.000 3.000 2.958 2.928 2.985 0.072 17 0 "[ . 1 . 2]" 2
7 1 36 VAL H 1 60 ILE O 2.000 . 2.000 2.059 2.027 2.089 0.089 4 0 "[ . 1 . 2]" 2
8 1 36 VAL N 1 60 ILE O 3.000 3.000 3.000 2.950 2.924 2.983 0.076 5 0 "[ . 1 . 2]" 2
9 1 61 VAL H 1 78 ASP O 2.000 . 2.000 2.056 2.034 2.092 0.092 20 0 "[ . 1 . 2]" 2
10 1 61 VAL N 1 78 ASP O 3.000 3.000 3.000 3.005 2.983 3.029 0.029 20 0 "[ . 1 . 2]" 2
11 1 107 ILE H 1 122 ILE O 2.000 . 2.000 2.033 2.001 2.059 0.059 13 0 "[ . 1 . 2]" 2
12 1 107 ILE N 1 122 ILE O 3.000 3.000 3.000 2.960 2.943 2.984 0.057 8 0 "[ . 1 . 2]" 2
13 1 107 ILE O 1 122 ILE H 2.000 . 2.000 2.053 2.021 2.078 0.078 19 0 "[ . 1 . 2]" 2
14 1 107 ILE O 1 122 ILE N 3.000 3.000 3.000 2.990 2.958 3.004 0.042 13 0 "[ . 1 . 2]" 2
15 1 109 ILE H 1 120 THR O 2.000 . 2.000 2.012 1.940 2.065 0.065 19 0 "[ . 1 . 2]" 2
16 1 109 ILE N 1 120 THR O 3.000 3.000 3.000 2.921 2.877 2.981 0.123 16 0 "[ . 1 . 2]" 2
17 1 109 ILE O 1 120 THR H 2.000 . 2.000 2.044 1.981 2.085 0.085 9 0 "[ . 1 . 2]" 2
18 1 109 ILE O 1 120 THR N 3.000 3.000 3.000 2.967 2.901 3.004 0.099 13 0 "[ . 1 . 2]" 2
19 1 111 TYR H 1 118 GLU O 2.000 . 2.000 2.035 2.018 2.046 0.046 18 0 "[ . 1 . 2]" 2
20 1 111 TYR N 1 118 GLU O 3.000 3.000 3.000 2.967 2.953 2.984 0.047 9 0 "[ . 1 . 2]" 2
21 1 111 TYR O 1 118 GLU H 2.000 . 2.000 2.038 2.022 2.064 0.064 17 0 "[ . 1 . 2]" 2
22 1 111 TYR O 1 118 GLU N 3.000 3.000 3.000 2.969 2.930 2.997 0.070 16 0 "[ . 1 . 2]" 2
23 1 113 ARG H 1 116 LYS O 2.000 . 2.000 2.010 1.994 2.025 0.025 20 0 "[ . 1 . 2]" 2
24 1 113 ARG N 1 116 LYS O 3.000 3.000 3.000 2.970 2.960 2.983 0.040 20 0 "[ . 1 . 2]" 2
25 1 90 SER O 1 94 LEU H 2.000 . 2.000 2.053 2.023 2.118 0.118 15 0 "[ . 1 . 2]" 2
26 1 90 SER O 1 94 LEU N 3.000 3.000 3.000 3.022 2.995 3.083 0.083 15 0 "[ . 1 . 2]" 2
27 1 91 SER O 1 95 GLN H 2.000 . 2.000 2.065 2.053 2.079 0.079 13 0 "[ . 1 . 2]" 2
28 1 91 SER O 1 95 GLN N 3.000 3.000 3.000 2.929 2.917 2.962 0.083 1 0 "[ . 1 . 2]" 2
29 1 93 ASP O 1 97 ALA H 2.000 . 2.000 2.048 2.032 2.095 0.095 13 0 "[ . 1 . 2]" 2
30 1 93 ASP O 1 97 ALA N 3.000 3.000 3.000 2.986 2.952 3.021 0.048 13 0 "[ . 1 . 2]" 2
31 1 94 LEU O 1 98 LEU H 2.000 . 2.000 2.035 2.010 2.055 0.055 15 0 "[ . 1 . 2]" 2
32 1 94 LEU O 1 98 LEU N 3.000 3.000 3.000 2.965 2.958 2.978 0.042 13 0 "[ . 1 . 2]" 2
33 1 95 GLN O 1 99 TYR H 2.000 . 2.000 2.026 2.013 2.090 0.090 13 0 "[ . 1 . 2]" 2
34 1 95 GLN O 1 99 TYR N 3.000 3.000 3.000 2.967 2.941 2.977 0.059 13 0 "[ . 1 . 2]" 2
stop_
save_
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