NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
614660 |
2jr7   |
15377 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jr7
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 1434
_Distance_constraint_stats_list.Viol_count 683
_Distance_constraint_stats_list.Viol_total 314.636
_Distance_constraint_stats_list.Viol_max 0.167
_Distance_constraint_stats_list.Viol_rms 0.0056
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0230
_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 3 VAL 0.024 0.017 6 0 "[ . 1 . 2]"
1 4 PHE 0.872 0.054 6 0 "[ . 1 . 2]"
1 5 HIS 0.005 0.003 3 0 "[ . 1 . 2]"
1 6 ASP 0.176 0.033 6 0 "[ . 1 . 2]"
1 7 GLU 0.271 0.039 10 0 "[ . 1 . 2]"
1 8 VAL 0.032 0.032 19 0 "[ . 1 . 2]"
1 9 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ILE 0.373 0.043 20 0 "[ . 1 . 2]"
1 11 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ASP 0.059 0.013 11 0 "[ . 1 . 2]"
1 13 PHE 0.119 0.029 6 0 "[ . 1 . 2]"
1 14 GLN 0.056 0.025 15 0 "[ . 1 . 2]"
1 15 TYR 0.148 0.027 5 0 "[ . 1 . 2]"
1 16 ASP 0.042 0.026 14 0 "[ . 1 . 2]"
1 17 GLU 0.567 0.034 13 0 "[ . 1 . 2]"
1 18 ASP 0.503 0.034 13 0 "[ . 1 . 2]"
1 19 SER 0.071 0.016 18 0 "[ . 1 . 2]"
1 20 GLU 0.059 0.019 5 0 "[ . 1 . 2]"
1 21 THR 0.171 0.023 17 0 "[ . 1 . 2]"
1 22 TYR 0.180 0.025 15 0 "[ . 1 . 2]"
1 23 PHE 0.182 0.026 14 0 "[ . 1 . 2]"
1 24 TYR 0.087 0.016 5 0 "[ . 1 . 2]"
1 25 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 CYS 0.283 0.021 13 0 "[ . 1 . 2]"
1 27 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 CYS 0.252 0.021 13 0 "[ . 1 . 2]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ASP 0.135 0.038 10 0 "[ . 1 . 2]"
1 31 ASN 0.068 0.023 17 0 "[ . 1 . 2]"
1 32 PHE 0.157 0.027 12 0 "[ . 1 . 2]"
1 33 SER 0.269 0.029 6 0 "[ . 1 . 2]"
1 34 ILE 0.737 0.048 18 0 "[ . 1 . 2]"
1 35 THR 0.418 0.024 4 0 "[ . 1 . 2]"
1 36 LYS 0.380 0.037 5 0 "[ . 1 . 2]"
1 37 GLU 0.221 0.024 4 0 "[ . 1 . 2]"
1 38 ASP 0.743 0.057 6 0 "[ . 1 . 2]"
1 39 LEU 0.368 0.043 20 0 "[ . 1 . 2]"
1 40 GLU 0.098 0.037 5 0 "[ . 1 . 2]"
1 41 ASN 0.264 0.022 10 0 "[ . 1 . 2]"
1 42 GLY 1.288 0.078 6 0 "[ . 1 . 2]"
1 43 GLU 0.669 0.042 15 0 "[ . 1 . 2]"
1 44 ASP 4.207 0.111 16 0 "[ . 1 . 2]"
1 45 VAL 1.732 0.067 6 0 "[ . 1 . 2]"
1 46 ALA 0.050 0.027 12 0 "[ . 1 . 2]"
1 47 THR 0.210 0.022 19 0 "[ . 1 . 2]"
1 48 CYS 0.145 0.038 12 0 "[ . 1 . 2]"
1 49 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 SER 0.117 0.038 10 0 "[ . 1 . 2]"
1 51 CYS 0.006 0.004 3 0 "[ . 1 . 2]"
1 52 SER 0.117 0.022 19 0 "[ . 1 . 2]"
1 53 LEU 0.016 0.004 3 0 "[ . 1 . 2]"
1 54 ILE 0.381 0.032 17 0 "[ . 1 . 2]"
1 55 ILE 0.024 0.018 6 0 "[ . 1 . 2]"
1 56 LYS 3.708 0.167 6 0 "[ . 1 . 2]"
1 57 VAL 4.002 0.167 6 0 "[ . 1 . 2]"
1 58 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 TYR 1.136 0.111 16 0 "[ . 1 . 2]"
1 60 ASP 0.464 0.070 4 0 "[ . 1 . 2]"
1 61 LYS 0.517 0.041 17 0 "[ . 1 . 2]"
1 62 ASP 0.149 0.020 20 0 "[ . 1 . 2]"
1 63 GLN 0.575 0.070 4 0 "[ . 1 . 2]"
1 64 PHE 0.152 0.029 6 0 "[ . 1 . 2]"
1 65 VAL 0.388 0.043 7 0 "[ . 1 . 2]"
1 66 SER 0.251 0.039 17 0 "[ . 1 . 2]"
1 67 GLY 0.056 0.015 18 0 "[ . 1 . 2]"
1 68 GLU 0.096 0.032 8 0 "[ . 1 . 2]"
1 69 THR 0.122 0.032 8 0 "[ . 1 . 2]"
1 70 VAL 0.211 0.085 2 0 "[ . 1 . 2]"
1 71 PRO 0.114 0.035 3 0 "[ . 1 . 2]"
1 72 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ASN 0.114 0.041 15 0 "[ . 1 . 2]"
1 77 LYS 0.157 0.041 15 0 "[ . 1 . 2]"
1 78 GLU 0.004 0.004 18 0 "[ . 1 . 2]"
1 79 LEU 0.340 0.085 6 0 "[ . 1 . 2]"
1 80 VAL 0.441 0.085 6 0 "[ . 1 . 2]"
1 81 LYS 0.129 0.041 8 0 "[ . 1 . 2]"
1 82 LEU 0.020 0.011 9 0 "[ . 1 . 2]"
1 83 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 HIS 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 VAL HA 1 4 PHE H 1.800 . 3.000 2.458 2.140 3.017 0.017 6 0 "[ . 1 . 2]" 1
2 1 3 VAL QG 1 4 PHE H 1.800 . 4.000 3.380 2.077 3.754 . 0 0 "[ . 1 . 2]" 1
3 1 4 PHE H 1 4 PHE HB3 1.800 . 4.000 3.635 3.470 4.047 0.047 19 0 "[ . 1 . 2]" 1
4 1 4 PHE H 1 4 PHE HB2 1.800 . 4.000 2.443 2.158 3.160 . 0 0 "[ . 1 . 2]" 1
5 1 4 PHE H 1 4 PHE QB 1.800 . 3.000 2.400 2.138 3.054 0.054 6 0 "[ . 1 . 2]" 1
6 1 4 PHE H 1 5 HIS H 1.800 . 5.000 4.590 4.493 4.644 . 0 0 "[ . 1 . 2]" 1
7 1 4 PHE HA 1 54 ILE HG13 1.800 . 4.500 2.022 1.931 2.225 . 0 0 "[ . 1 . 2]" 1
8 1 4 PHE HA 1 54 ILE HG12 1.800 . 4.500 3.450 3.267 3.623 . 0 0 "[ . 1 . 2]" 1
9 1 4 PHE HA 1 54 ILE QG 1.800 . 3.500 2.008 1.922 2.202 . 0 0 "[ . 1 . 2]" 1
10 1 4 PHE HA 1 54 ILE MD 1.800 . 5.000 2.041 1.955 2.522 . 0 0 "[ . 1 . 2]" 1
11 1 4 PHE QB 1 55 ILE MG 1.800 . 5.500 4.867 4.446 5.055 . 0 0 "[ . 1 . 2]" 1
12 1 4 PHE HA 1 5 HIS H 1.800 . 3.000 2.402 2.147 2.654 . 0 0 "[ . 1 . 2]" 1
13 1 4 PHE QB 1 5 HIS H 1.800 . 4.000 2.578 2.100 3.318 . 0 0 "[ . 1 . 2]" 1
14 1 5 HIS H 1 5 HIS HB3 1.800 . 4.000 2.725 2.541 2.944 . 0 0 "[ . 1 . 2]" 1
15 1 5 HIS H 1 5 HIS HB2 1.800 . 4.000 2.487 2.295 2.762 . 0 0 "[ . 1 . 2]" 1
16 1 5 HIS H 1 5 HIS QB 1.800 . 3.000 2.287 2.205 2.406 . 0 0 "[ . 1 . 2]" 1
17 1 5 HIS H 1 6 ASP H 1.800 . 4.000 2.706 2.395 2.990 . 0 0 "[ . 1 . 2]" 1
18 1 5 HIS H 1 53 LEU QD 1.800 . 5.500 4.564 4.049 5.426 . 0 0 "[ . 1 . 2]" 1
19 1 5 HIS H 1 54 ILE QG 1.800 . 5.000 2.579 2.209 3.079 . 0 0 "[ . 1 . 2]" 1
20 1 5 HIS H 1 54 ILE H 1.800 . 5.000 4.193 3.755 4.730 . 0 0 "[ . 1 . 2]" 1
21 1 5 HIS H 1 55 ILE MG 1.800 . 4.500 3.674 3.400 3.906 . 0 0 "[ . 1 . 2]" 1
22 1 5 HIS HA 1 53 LEU QD 1.800 . 5.500 4.284 3.577 4.891 . 0 0 "[ . 1 . 2]" 1
23 1 5 HIS HA 1 55 ILE MG 1.800 . 6.000 4.823 4.570 5.253 . 0 0 "[ . 1 . 2]" 1
24 1 5 HIS QB 1 53 LEU QB 1.800 . 5.000 3.550 3.134 4.559 . 0 0 "[ . 1 . 2]" 1
25 1 5 HIS QB 1 53 LEU HG 1.800 . 5.500 4.613 2.645 5.502 0.002 10 0 "[ . 1 . 2]" 1
26 1 5 HIS QB 1 53 LEU MD1 1.800 . 5.000 4.054 2.342 5.003 0.003 3 0 "[ . 1 . 2]" 1
27 1 5 HIS QB 1 53 LEU MD2 1.800 . 5.000 2.866 2.465 3.294 . 0 0 "[ . 1 . 2]" 1
28 1 5 HIS QB 1 53 LEU QD 1.800 . 4.000 2.771 2.175 3.250 . 0 0 "[ . 1 . 2]" 1
29 1 5 HIS HB3 1 55 ILE MG 1.800 . 5.000 2.230 1.905 2.856 . 0 0 "[ . 1 . 2]" 1
30 1 5 HIS HB2 1 55 ILE MG 1.800 . 5.000 3.224 2.948 3.614 . 0 0 "[ . 1 . 2]" 1
31 1 5 HIS QB 1 55 ILE MG 1.800 . 4.000 2.187 1.883 2.739 . 0 0 "[ . 1 . 2]" 1
32 1 4 PHE HA 1 6 ASP H 1.800 . 5.000 4.864 4.544 5.033 0.033 6 0 "[ . 1 . 2]" 1
33 1 4 PHE QB 1 6 ASP H 1.800 . 4.500 3.434 3.185 3.785 . 0 0 "[ . 1 . 2]" 1
34 1 5 HIS QB 1 6 ASP H 1.800 . 4.000 2.085 2.000 2.187 . 0 0 "[ . 1 . 2]" 1
35 1 6 ASP H 1 7 GLU H 1.800 . 5.000 4.302 4.148 4.420 . 0 0 "[ . 1 . 2]" 1
36 1 6 ASP H 1 55 ILE HA 1.800 . 4.000 2.789 2.562 3.200 . 0 0 "[ . 1 . 2]" 1
37 1 6 ASP H 1 55 ILE HB 1.800 . 5.000 3.962 3.668 4.296 . 0 0 "[ . 1 . 2]" 1
38 1 6 ASP H 1 55 ILE MG 1.800 . 3.000 2.741 2.511 2.912 . 0 0 "[ . 1 . 2]" 1
39 1 6 ASP H 1 56 LYS H 1.800 . 4.500 3.466 3.153 3.802 . 0 0 "[ . 1 . 2]" 1
40 1 6 ASP HA 1 7 GLU HA 1.800 . 6.000 4.386 4.360 4.416 . 0 0 "[ . 1 . 2]" 1
41 1 6 ASP HA 1 7 GLU QB 1.800 . 5.500 4.584 4.517 4.622 . 0 0 "[ . 1 . 2]" 1
42 1 6 ASP HA 1 55 ILE MG 1.800 . 5.500 5.073 4.887 5.289 . 0 0 "[ . 1 . 2]" 1
43 1 6 ASP HB3 1 8 VAL QG 1.800 . 4.000 3.196 2.943 3.419 . 0 0 "[ . 1 . 2]" 1
44 1 6 ASP HB2 1 8 VAL QG 1.800 . 4.000 3.936 3.721 4.032 0.032 19 0 "[ . 1 . 2]" 1
45 1 6 ASP QB 1 8 VAL QG 1.800 . 3.500 3.062 2.875 3.228 . 0 0 "[ . 1 . 2]" 1
46 1 4 PHE QB 1 7 GLU H 1.800 . 6.000 5.258 4.864 5.676 . 0 0 "[ . 1 . 2]" 1
47 1 6 ASP HA 1 7 GLU H 1.800 . 3.000 2.311 2.208 2.405 . 0 0 "[ . 1 . 2]" 1
48 1 6 ASP QB 1 7 GLU H 1.800 . 5.000 2.779 2.451 3.133 . 0 0 "[ . 1 . 2]" 1
49 1 7 GLU H 1 7 GLU QB 1.800 . 3.500 2.607 2.502 2.678 . 0 0 "[ . 1 . 2]" 1
50 1 7 GLU H 1 7 GLU QG 1.800 . 3.500 2.700 2.336 3.026 . 0 0 "[ . 1 . 2]" 1
51 1 7 GLU H 1 8 VAL HA 1.800 . 6.000 5.167 5.032 5.310 . 0 0 "[ . 1 . 2]" 1
52 1 7 GLU H 1 8 VAL QG 1.800 . 4.500 3.974 3.786 4.151 . 0 0 "[ . 1 . 2]" 1
53 1 7 GLU H 1 56 LYS H 1.800 . 5.500 4.667 4.403 5.042 . 0 0 "[ . 1 . 2]" 1
54 1 7 GLU HA 1 56 LYS HB3 1.800 . 5.000 2.241 2.032 2.457 . 0 0 "[ . 1 . 2]" 1
55 1 7 GLU HA 1 56 LYS HB2 1.800 . 5.000 3.404 2.953 3.993 . 0 0 "[ . 1 . 2]" 1
56 1 7 GLU HA 1 56 LYS QB 1.800 . 4.000 2.202 2.023 2.369 . 0 0 "[ . 1 . 2]" 1
57 1 7 GLU HA 1 56 LYS QG 1.800 . 5.000 4.036 3.521 4.459 . 0 0 "[ . 1 . 2]" 1
58 1 7 GLU HA 1 56 LYS H 1.800 . 4.000 2.744 2.520 3.144 . 0 0 "[ . 1 . 2]" 1
59 1 7 GLU HA 1 58 ILE MD 1.800 . 5.000 4.190 3.825 4.331 . 0 0 "[ . 1 . 2]" 1
60 1 7 GLU QB 1 56 LYS QB 1.800 . 6.000 2.463 2.103 3.029 . 0 0 "[ . 1 . 2]" 1
61 1 7 GLU HB3 1 56 LYS QG 1.800 . 5.000 3.551 2.970 3.999 . 0 0 "[ . 1 . 2]" 1
62 1 7 GLU HB2 1 56 LYS QG 1.800 . 5.000 4.777 4.353 5.039 0.039 10 0 "[ . 1 . 2]" 1
63 1 7 GLU HB3 1 58 ILE QG 1.800 . 4.500 2.483 2.322 2.555 . 0 0 "[ . 1 . 2]" 1
64 1 7 GLU HB2 1 58 ILE QG 1.800 . 4.500 3.449 3.303 3.631 . 0 0 "[ . 1 . 2]" 1
65 1 7 GLU QB 1 58 ILE QG 1.800 . 3.500 2.428 2.284 2.503 . 0 0 "[ . 1 . 2]" 1
66 1 7 GLU HB3 1 58 ILE MD 1.800 . 4.500 2.432 2.173 2.678 . 0 0 "[ . 1 . 2]" 1
67 1 7 GLU HB2 1 58 ILE MD 1.800 . 4.500 3.606 3.276 3.872 . 0 0 "[ . 1 . 2]" 1
68 1 7 GLU QB 1 58 ILE MD 1.800 . 3.500 2.395 2.144 2.624 . 0 0 "[ . 1 . 2]" 1
69 1 7 GLU QG 1 8 VAL H 1.800 . 6.000 4.301 4.179 4.414 . 0 0 "[ . 1 . 2]" 1
70 1 7 GLU HG3 1 56 LYS QB 1.800 . 4.500 2.357 1.908 3.537 . 0 0 "[ . 1 . 2]" 1
71 1 7 GLU HG2 1 56 LYS QB 1.800 . 4.500 2.211 1.879 2.691 . 0 0 "[ . 1 . 2]" 1
72 1 7 GLU QG 1 56 LYS QB 1.800 . 3.500 1.909 1.812 2.156 . 0 0 "[ . 1 . 2]" 1
73 1 7 GLU QG 1 56 LYS HB3 1.800 . 4.000 2.031 1.891 2.204 . 0 0 "[ . 1 . 2]" 1
74 1 7 GLU QG 1 56 LYS HB2 1.800 . 4.000 2.477 1.988 3.054 . 0 0 "[ . 1 . 2]" 1
75 1 7 GLU HG3 1 56 LYS QG 1.800 . 5.000 3.509 3.062 4.308 . 0 0 "[ . 1 . 2]" 1
76 1 7 GLU HG2 1 56 LYS QG 1.800 . 5.000 2.607 2.187 3.231 . 0 0 "[ . 1 . 2]" 1
77 1 7 GLU QG 1 56 LYS QG 1.800 . 4.000 2.522 2.168 3.144 . 0 0 "[ . 1 . 2]" 1
78 1 7 GLU HG3 1 56 LYS H 1.800 . 6.000 3.832 3.252 5.251 . 0 0 "[ . 1 . 2]" 1
79 1 7 GLU HG2 1 56 LYS H 1.800 . 6.000 4.524 3.553 5.090 . 0 0 "[ . 1 . 2]" 1
80 1 7 GLU HG3 1 58 ILE MD 1.800 . 5.500 4.309 4.013 4.720 . 0 0 "[ . 1 . 2]" 1
81 1 7 GLU HG2 1 58 ILE MD 1.800 . 5.500 3.148 2.807 4.237 . 0 0 "[ . 1 . 2]" 1
82 1 7 GLU QG 1 58 ILE MD 1.800 . 5.000 3.063 2.757 3.887 . 0 0 "[ . 1 . 2]" 1
83 1 7 GLU HA 1 8 VAL H 1.800 . 3.000 2.183 2.153 2.196 . 0 0 "[ . 1 . 2]" 1
84 1 7 GLU HB3 1 8 VAL H 1.800 . 5.000 3.192 3.101 3.461 . 0 0 "[ . 1 . 2]" 1
85 1 7 GLU HB2 1 8 VAL H 1.800 . 5.000 4.017 3.952 4.213 . 0 0 "[ . 1 . 2]" 1
86 1 7 GLU QB 1 8 VAL H 1.800 . 4.500 3.074 2.996 3.310 . 0 0 "[ . 1 . 2]" 1
87 1 8 VAL H 1 8 VAL HB 1.800 . 3.000 2.843 2.734 2.901 . 0 0 "[ . 1 . 2]" 1
88 1 8 VAL H 1 8 VAL QG 1.800 . 3.000 2.694 2.582 2.808 . 0 0 "[ . 1 . 2]" 1
89 1 8 VAL H 1 9 GLU H 1.800 . 5.000 4.388 4.355 4.444 . 0 0 "[ . 1 . 2]" 1
90 1 8 VAL H 1 56 LYS HA 1.800 . 5.500 5.056 4.871 5.317 . 0 0 "[ . 1 . 2]" 1
91 1 8 VAL H 1 56 LYS H 1.800 . 4.500 4.122 3.941 4.341 . 0 0 "[ . 1 . 2]" 1
92 1 8 VAL H 1 58 ILE MD 1.800 . 5.500 4.296 4.033 4.534 . 0 0 "[ . 1 . 2]" 1
93 1 8 VAL H 1 58 ILE H 1.800 . 4.500 3.428 3.217 3.575 . 0 0 "[ . 1 . 2]" 1
94 1 8 VAL HA 1 58 ILE MD 1.800 . 6.000 5.502 5.353 5.755 . 0 0 "[ . 1 . 2]" 1
95 1 8 VAL HB 1 57 VAL QG 1.800 . 6.000 3.935 3.654 4.188 . 0 0 "[ . 1 . 2]" 1
96 1 6 ASP HA 1 8 VAL QG 1.800 . 6.000 4.904 4.721 5.085 . 0 0 "[ . 1 . 2]" 1
97 1 7 GLU HA 1 8 VAL QG 1.800 . 5.000 3.409 3.297 3.521 . 0 0 "[ . 1 . 2]" 1
98 1 7 GLU QB 1 8 VAL QG 1.800 . 6.000 4.136 4.080 4.218 . 0 0 "[ . 1 . 2]" 1
99 1 8 VAL QG 1 10 ILE HA 1.800 . 6.000 4.620 4.463 4.703 . 0 0 "[ . 1 . 2]" 1
100 1 8 VAL QG 1 10 ILE H 1.800 . 6.000 4.865 4.780 4.933 . 0 0 "[ . 1 . 2]" 1
101 1 8 VAL QG 1 12 ASP HA 1.800 . 6.000 4.509 4.385 4.673 . 0 0 "[ . 1 . 2]" 1
102 1 8 VAL QG 1 25 PRO QD 1.800 . 6.000 4.508 4.309 4.716 . 0 0 "[ . 1 . 2]" 1
103 1 8 VAL QG 1 56 LYS H 1.800 . 6.000 4.530 4.321 4.765 . 0 0 "[ . 1 . 2]" 1
104 1 8 VAL QG 1 57 VAL HA 1.800 . 6.000 4.440 4.237 4.599 . 0 0 "[ . 1 . 2]" 1
105 1 8 VAL QG 1 58 ILE H 1.800 . 6.000 4.527 4.361 4.647 . 0 0 "[ . 1 . 2]" 1
106 1 8 VAL HA 1 9 GLU H 1.800 . 3.000 2.208 2.200 2.216 . 0 0 "[ . 1 . 2]" 1
107 1 8 VAL HB 1 9 GLU H 1.800 . 4.500 3.887 3.867 3.928 . 0 0 "[ . 1 . 2]" 1
108 1 8 VAL QG 1 9 GLU H 1.800 . 3.000 2.128 1.984 2.270 . 0 0 "[ . 1 . 2]" 1
109 1 9 GLU H 1 9 GLU HB3 1.800 . 4.000 3.578 3.528 3.609 . 0 0 "[ . 1 . 2]" 1
110 1 9 GLU H 1 9 GLU HB2 1.800 . 4.000 2.392 2.244 2.558 . 0 0 "[ . 1 . 2]" 1
111 1 9 GLU H 1 9 GLU QB 1.800 . 3.000 2.357 2.220 2.508 . 0 0 "[ . 1 . 2]" 1
112 1 9 GLU H 1 9 GLU QG 1.800 . 3.500 2.437 2.119 2.717 . 0 0 "[ . 1 . 2]" 1
113 1 9 GLU H 1 12 ASP QB 1.800 . 4.500 3.622 3.468 3.928 . 0 0 "[ . 1 . 2]" 1
114 1 9 GLU H 1 12 ASP H 1.800 . 5.000 4.488 4.416 4.538 . 0 0 "[ . 1 . 2]" 1
115 1 9 GLU H 1 57 VAL HA 1.800 . 6.000 5.685 5.443 5.947 . 0 0 "[ . 1 . 2]" 1
116 1 9 GLU H 1 58 ILE HB 1.800 . 4.500 4.045 3.907 4.307 . 0 0 "[ . 1 . 2]" 1
117 1 9 GLU H 1 58 ILE H 1.800 . 5.000 4.530 4.336 4.742 . 0 0 "[ . 1 . 2]" 1
118 1 9 GLU HA 1 57 VAL QG 1.800 . 5.500 4.352 4.117 4.587 . 0 0 "[ . 1 . 2]" 1
119 1 9 GLU HA 1 58 ILE HB 1.800 . 3.000 2.003 1.942 2.135 . 0 0 "[ . 1 . 2]" 1
120 1 9 GLU HA 1 58 ILE MG 1.800 . 4.500 3.511 3.411 3.646 . 0 0 "[ . 1 . 2]" 1
121 1 9 GLU HA 1 58 ILE MD 1.800 . 5.500 4.723 4.622 4.810 . 0 0 "[ . 1 . 2]" 1
122 1 9 GLU HB3 1 12 ASP H 1.800 . 5.000 3.610 3.383 3.882 . 0 0 "[ . 1 . 2]" 1
123 1 9 GLU HB2 1 12 ASP H 1.800 . 5.000 3.253 3.001 3.466 . 0 0 "[ . 1 . 2]" 1
124 1 9 GLU QB 1 12 ASP H 1.800 . 4.000 3.015 2.893 3.121 . 0 0 "[ . 1 . 2]" 1
125 1 9 GLU HG3 1 10 ILE H 1.800 . 5.500 4.816 4.555 4.983 . 0 0 "[ . 1 . 2]" 1
126 1 9 GLU HG2 1 10 ILE H 1.800 . 5.500 4.090 3.750 4.501 . 0 0 "[ . 1 . 2]" 1
127 1 9 GLU HG3 1 58 ILE MG 1.800 . 5.000 3.869 3.379 4.084 . 0 0 "[ . 1 . 2]" 1
128 1 9 GLU HG2 1 58 ILE MG 1.800 . 5.000 3.008 2.733 3.413 . 0 0 "[ . 1 . 2]" 1
129 1 9 GLU QG 1 58 ILE MG 1.800 . 4.000 2.904 2.683 3.224 . 0 0 "[ . 1 . 2]" 1
130 1 9 GLU HG3 1 58 ILE MD 1.800 . 5.500 5.365 4.974 5.497 . 0 0 "[ . 1 . 2]" 1
131 1 9 GLU HG2 1 58 ILE MD 1.800 . 5.500 5.233 4.934 5.481 . 0 0 "[ . 1 . 2]" 1
132 1 9 GLU HA 1 10 ILE H 1.800 . 3.000 2.194 2.184 2.204 . 0 0 "[ . 1 . 2]" 1
133 1 9 GLU QB 1 10 ILE H 1.800 . 4.500 2.930 2.898 2.977 . 0 0 "[ . 1 . 2]" 1
134 1 10 ILE H 1 10 ILE HB 1.800 . 3.000 2.454 2.430 2.478 . 0 0 "[ . 1 . 2]" 1
135 1 10 ILE H 1 10 ILE MD 1.800 . 6.000 4.046 3.974 4.123 . 0 0 "[ . 1 . 2]" 1
136 1 10 ILE H 1 10 ILE HG13 1.800 . 5.500 4.439 4.410 4.487 . 0 0 "[ . 1 . 2]" 1
137 1 10 ILE H 1 10 ILE HG12 1.800 . 5.500 4.673 4.664 4.681 . 0 0 "[ . 1 . 2]" 1
138 1 10 ILE H 1 10 ILE MG 1.800 . 4.000 2.192 2.156 2.237 . 0 0 "[ . 1 . 2]" 1
139 1 10 ILE H 1 11 GLU H 1.800 . 4.000 2.757 2.737 2.781 . 0 0 "[ . 1 . 2]" 1
140 1 10 ILE H 1 57 VAL HA 1.800 . 5.000 4.904 4.729 4.998 . 0 0 "[ . 1 . 2]" 1
141 1 10 ILE H 1 57 VAL QG 1.800 . 5.000 3.582 3.356 3.756 . 0 0 "[ . 1 . 2]" 1
142 1 10 ILE H 1 58 ILE HA 1.800 . 5.500 4.754 4.709 4.803 . 0 0 "[ . 1 . 2]" 1
143 1 10 ILE H 1 58 ILE HB 1.800 . 4.000 3.532 3.402 3.620 . 0 0 "[ . 1 . 2]" 1
144 1 10 ILE H 1 58 ILE H 1.800 . 4.500 3.584 3.460 3.696 . 0 0 "[ . 1 . 2]" 1
145 1 10 ILE H 1 59 TYR HA 1.800 . 4.500 3.378 3.259 3.512 . 0 0 "[ . 1 . 2]" 1
146 1 10 ILE HA 1 13 PHE QB 1.800 . 6.000 2.660 2.426 2.874 . 0 0 "[ . 1 . 2]" 1
147 1 10 ILE HA 1 13 PHE H 1.800 . 3.500 3.142 3.084 3.207 . 0 0 "[ . 1 . 2]" 1
148 1 10 ILE HA 1 59 TYR QB 1.800 . 5.000 4.498 4.368 4.622 . 0 0 "[ . 1 . 2]" 1
149 1 10 ILE HB 1 57 VAL QG 1.800 . 4.500 2.771 2.578 2.941 . 0 0 "[ . 1 . 2]" 1
150 1 10 ILE HB 1 58 ILE HA 1.800 . 6.000 5.311 5.142 5.436 . 0 0 "[ . 1 . 2]" 1
151 1 10 ILE HB 1 59 TYR HA 1.800 . 5.000 3.594 3.414 3.901 . 0 0 "[ . 1 . 2]" 1
152 1 10 ILE MD 1 13 PHE HB3 1.800 . 5.000 3.477 2.770 3.867 . 0 0 "[ . 1 . 2]" 1
153 1 10 ILE MD 1 13 PHE HB2 1.800 . 5.000 2.857 2.202 3.198 . 0 0 "[ . 1 . 2]" 1
154 1 10 ILE MD 1 13 PHE QB 1.800 . 4.000 2.730 2.134 3.053 . 0 0 "[ . 1 . 2]" 1
155 1 10 ILE MD 1 22 TYR H 1.800 . 6.000 4.726 4.459 4.872 . 0 0 "[ . 1 . 2]" 1
156 1 10 ILE MD 1 39 LEU QD 1.800 . 3.000 1.852 1.757 2.272 0.043 20 0 "[ . 1 . 2]" 1
157 1 10 ILE MD 1 57 VAL HB 1.800 . 6.000 3.766 3.582 3.894 . 0 0 "[ . 1 . 2]" 1
158 1 10 ILE MD 1 59 TYR HA 1.800 . 6.000 5.039 4.727 5.298 . 0 0 "[ . 1 . 2]" 1
159 1 10 ILE MD 1 59 TYR QB 1.800 . 3.500 3.154 2.753 3.436 . 0 0 "[ . 1 . 2]" 1
160 1 10 ILE HG13 1 39 LEU MD1 1.800 . 5.500 4.133 3.896 4.485 . 0 0 "[ . 1 . 2]" 1
161 1 10 ILE HG12 1 39 LEU MD1 1.800 . 5.500 3.337 2.859 3.655 . 0 0 "[ . 1 . 2]" 1
162 1 10 ILE QG 1 57 VAL QG 1.800 . 5.000 3.739 3.623 3.858 . 0 0 "[ . 1 . 2]" 1
163 1 10 ILE HG13 1 59 TYR QB 1.800 . 5.500 4.479 4.219 4.677 . 0 0 "[ . 1 . 2]" 1
164 1 10 ILE HG12 1 59 TYR QB 1.800 . 5.500 3.441 3.076 3.727 . 0 0 "[ . 1 . 2]" 1
165 1 9 GLU HA 1 10 ILE MG 1.800 . 5.500 3.968 3.936 4.001 . 0 0 "[ . 1 . 2]" 1
166 1 10 ILE MG 1 11 GLU HA 1.800 . 5.000 3.171 3.110 3.322 . 0 0 "[ . 1 . 2]" 1
167 1 10 ILE MG 1 11 GLU HG3 1.800 . 5.500 3.661 2.553 4.885 . 0 0 "[ . 1 . 2]" 1
168 1 10 ILE MG 1 11 GLU HG2 1.800 . 5.500 3.880 2.878 5.394 . 0 0 "[ . 1 . 2]" 1
169 1 10 ILE MG 1 39 LEU QD 1.800 . 6.000 3.826 3.626 4.044 . 0 0 "[ . 1 . 2]" 1
170 1 10 ILE MG 1 57 VAL QG 1.800 . 5.000 4.059 3.902 4.200 . 0 0 "[ . 1 . 2]" 1
171 1 10 ILE MG 1 58 ILE HB 1.800 . 6.000 4.854 4.687 4.934 . 0 0 "[ . 1 . 2]" 1
172 1 10 ILE MG 1 59 TYR HA 1.800 . 5.000 2.322 2.167 2.522 . 0 0 "[ . 1 . 2]" 1
173 1 10 ILE MG 1 59 TYR HB3 1.800 . 3.500 2.245 2.075 2.456 . 0 0 "[ . 1 . 2]" 1
174 1 10 ILE MG 1 59 TYR HB2 1.800 . 3.500 2.653 2.418 2.832 . 0 0 "[ . 1 . 2]" 1
175 1 9 GLU HA 1 11 GLU H 1.800 . 5.000 3.958 3.932 3.990 . 0 0 "[ . 1 . 2]" 1
176 1 9 GLU QB 1 11 GLU H 1.800 . 4.000 2.527 2.437 2.643 . 0 0 "[ . 1 . 2]" 1
177 1 10 ILE HA 1 11 GLU H 1.800 . 5.000 3.503 3.493 3.509 . 0 0 "[ . 1 . 2]" 1
178 1 10 ILE HB 1 11 GLU H 1.800 . 5.000 4.046 4.016 4.066 . 0 0 "[ . 1 . 2]" 1
179 1 10 ILE MD 1 11 GLU H 1.800 . 6.000 4.944 4.766 5.049 . 0 0 "[ . 1 . 2]" 1
180 1 10 ILE MG 1 11 GLU H 1.800 . 3.000 2.308 2.176 2.359 . 0 0 "[ . 1 . 2]" 1
181 1 11 GLU H 1 11 GLU QB 1.800 . 3.000 2.387 2.099 2.642 . 0 0 "[ . 1 . 2]" 1
182 1 11 GLU H 1 11 GLU QG 1.800 . 4.500 2.640 1.985 3.958 . 0 0 "[ . 1 . 2]" 1
183 1 11 GLU H 1 12 ASP QB 1.800 . 6.000 4.488 4.394 4.784 . 0 0 "[ . 1 . 2]" 1
184 1 11 GLU H 1 12 ASP H 1.800 . 3.000 2.687 2.659 2.719 . 0 0 "[ . 1 . 2]" 1
185 1 11 GLU HA 1 12 ASP HA 1.800 . 6.000 4.756 4.732 4.780 . 0 0 "[ . 1 . 2]" 1
186 1 11 GLU HA 1 13 PHE H 1.800 . 5.000 4.182 4.119 4.284 . 0 0 "[ . 1 . 2]" 1
187 1 10 ILE MG 1 11 GLU QB 1.800 . 5.000 3.619 3.229 3.928 . 0 0 "[ . 1 . 2]" 1
188 1 10 ILE H 1 11 GLU QB 1.800 . 6.000 4.753 4.437 5.034 . 0 0 "[ . 1 . 2]" 1
189 1 8 VAL QG 1 12 ASP H 1.800 . 5.000 3.692 3.609 3.824 . 0 0 "[ . 1 . 2]" 1
190 1 9 GLU HA 1 12 ASP H 1.800 . 5.500 4.723 4.663 4.770 . 0 0 "[ . 1 . 2]" 1
191 1 10 ILE HA 1 12 ASP H 1.800 . 5.000 3.950 3.880 4.013 . 0 0 "[ . 1 . 2]" 1
192 1 10 ILE MG 1 12 ASP H 1.800 . 5.500 4.395 4.352 4.449 . 0 0 "[ . 1 . 2]" 1
193 1 10 ILE MD 1 12 ASP H 1.800 . 6.000 5.707 5.347 5.897 . 0 0 "[ . 1 . 2]" 1
194 1 11 GLU HA 1 12 ASP H 1.800 . 4.500 3.512 3.499 3.531 . 0 0 "[ . 1 . 2]" 1
195 1 11 GLU QB 1 12 ASP H 1.800 . 4.000 2.960 2.685 3.534 . 0 0 "[ . 1 . 2]" 1
196 1 12 ASP H 1 13 PHE QB 1.800 . 5.500 4.343 4.225 4.407 . 0 0 "[ . 1 . 2]" 1
197 1 8 VAL QG 1 12 ASP HB3 1.800 . 4.000 2.363 2.052 2.877 . 0 0 "[ . 1 . 2]" 1
198 1 8 VAL QG 1 12 ASP HB2 1.800 . 4.000 2.503 2.040 2.906 . 0 0 "[ . 1 . 2]" 1
199 1 8 VAL QG 1 12 ASP QB 1.800 . 3.500 2.080 1.977 2.267 . 0 0 "[ . 1 . 2]" 1
200 1 12 ASP H 1 12 ASP QB 1.800 . 3.000 2.214 2.140 2.419 . 0 0 "[ . 1 . 2]" 1
201 1 8 VAL QG 1 13 PHE H 1.800 . 5.000 3.961 3.700 4.085 . 0 0 "[ . 1 . 2]" 1
202 1 10 ILE QG 1 13 PHE H 1.800 . 5.000 4.090 3.927 4.289 . 0 0 "[ . 1 . 2]" 1
203 1 10 ILE MD 1 13 PHE H 1.800 . 5.000 4.510 3.993 4.775 . 0 0 "[ . 1 . 2]" 1
204 1 11 GLU H 1 13 PHE H 1.800 . 5.500 4.103 4.048 4.150 . 0 0 "[ . 1 . 2]" 1
205 1 13 PHE H 1 13 PHE HB3 1.800 . 4.000 3.528 3.480 3.554 . 0 0 "[ . 1 . 2]" 1
206 1 13 PHE H 1 13 PHE HB2 1.800 . 4.000 2.249 2.170 2.296 . 0 0 "[ . 1 . 2]" 1
207 1 13 PHE H 1 13 PHE QB 1.800 . 3.000 2.224 2.149 2.269 . 0 0 "[ . 1 . 2]" 1
208 1 13 PHE H 1 14 GLN H 1.800 . 5.000 4.621 4.602 4.645 . 0 0 "[ . 1 . 2]" 1
209 1 13 PHE QB 1 22 TYR QB 1.800 . 4.000 1.951 1.905 2.009 . 0 0 "[ . 1 . 2]" 1
210 1 13 PHE HA 1 14 GLN H 1.800 . 3.000 2.460 2.338 2.532 . 0 0 "[ . 1 . 2]" 1
211 1 13 PHE HB3 1 14 GLN H 1.800 . 4.500 2.347 2.167 2.627 . 0 0 "[ . 1 . 2]" 1
212 1 13 PHE HB2 1 14 GLN H 1.800 . 4.500 3.748 3.620 3.971 . 0 0 "[ . 1 . 2]" 1
213 1 13 PHE QB 1 14 GLN H 1.800 . 3.500 2.324 2.151 2.590 . 0 0 "[ . 1 . 2]" 1
214 1 14 GLN H 1 14 GLN HB3 1.800 . 3.500 2.921 2.608 3.498 . 0 0 "[ . 1 . 2]" 1
215 1 14 GLN H 1 14 GLN HB2 1.800 . 3.500 2.557 2.278 2.835 . 0 0 "[ . 1 . 2]" 1
216 1 14 GLN H 1 14 GLN QB 1.800 . 3.000 2.376 2.250 2.483 . 0 0 "[ . 1 . 2]" 1
217 1 14 GLN H 1 15 TYR H 1.800 . 5.000 4.181 3.891 4.305 . 0 0 "[ . 1 . 2]" 1
218 1 14 GLN H 1 22 TYR QB 1.800 . 5.000 3.696 3.407 4.126 . 0 0 "[ . 1 . 2]" 1
219 1 14 GLN H 1 23 PHE H 1.800 . 3.000 2.449 2.181 2.745 . 0 0 "[ . 1 . 2]" 1
220 1 14 GLN H 1 14 GLN HG3 1.800 . 5.000 4.450 3.463 4.710 . 0 0 "[ . 1 . 2]" 1
221 1 14 GLN H 1 14 GLN HG2 1.800 . 5.000 4.565 4.306 4.808 . 0 0 "[ . 1 . 2]" 1
222 1 13 PHE QB 1 15 TYR H 1.800 . 6.000 4.416 3.855 4.642 . 0 0 "[ . 1 . 2]" 1
223 1 14 GLN HA 1 15 TYR H 1.800 . 3.000 2.194 2.154 2.316 . 0 0 "[ . 1 . 2]" 1
224 1 14 GLN HB3 1 15 TYR H 1.800 . 5.000 4.172 3.742 4.441 . 0 0 "[ . 1 . 2]" 1
225 1 14 GLN HB2 1 15 TYR H 1.800 . 5.000 4.582 4.500 4.678 . 0 0 "[ . 1 . 2]" 1
226 1 14 GLN QB 1 15 TYR H 1.800 . 4.500 3.864 3.579 4.027 . 0 0 "[ . 1 . 2]" 1
227 1 14 GLN QG 1 15 TYR H 1.800 . 4.500 3.469 3.075 3.997 . 0 0 "[ . 1 . 2]" 1
228 1 15 TYR H 1 15 TYR QB 1.800 . 3.000 2.272 2.250 2.282 . 0 0 "[ . 1 . 2]" 1
229 1 15 TYR H 1 16 ASP H 1.800 . 5.000 4.544 4.408 4.643 . 0 0 "[ . 1 . 2]" 1
230 1 15 TYR HA 1 22 TYR HA 1.800 . 5.000 2.978 2.371 3.335 . 0 0 "[ . 1 . 2]" 1
231 1 15 TYR HA 1 16 ASP H 1.800 . 3.000 2.183 2.134 2.294 . 0 0 "[ . 1 . 2]" 1
232 1 15 TYR QB 1 16 ASP H 1.800 . 4.500 3.692 3.412 3.910 . 0 0 "[ . 1 . 2]" 1
233 1 16 ASP H 1 16 ASP HB3 1.800 . 3.500 2.925 2.611 3.511 0.011 18 0 "[ . 1 . 2]" 1
234 1 16 ASP H 1 16 ASP HB2 1.800 . 3.500 2.672 2.280 3.051 . 0 0 "[ . 1 . 2]" 1
235 1 16 ASP H 1 21 THR HB 1.800 . 5.500 4.496 4.073 5.324 . 0 0 "[ . 1 . 2]" 1
236 1 16 ASP H 1 21 THR MG 1.800 . 6.000 5.104 4.733 5.789 . 0 0 "[ . 1 . 2]" 1
237 1 16 ASP H 1 22 TYR HA 1.800 . 4.500 3.597 3.130 4.198 . 0 0 "[ . 1 . 2]" 1
238 1 16 ASP H 1 23 PHE H 1.800 . 6.000 5.263 4.712 5.839 . 0 0 "[ . 1 . 2]" 1
239 1 16 ASP HB3 1 21 THR HB 1.800 . 5.500 3.018 2.285 4.981 . 0 0 "[ . 1 . 2]" 1
240 1 16 ASP HB2 1 21 THR HB 1.800 . 5.500 3.488 2.477 5.500 0.000 5 0 "[ . 1 . 2]" 1
241 1 16 ASP QB 1 21 THR HB 1.800 . 5.000 2.809 2.116 4.614 . 0 0 "[ . 1 . 2]" 1
242 1 16 ASP HA 1 17 GLU H 1.800 . 3.000 2.226 2.159 2.285 . 0 0 "[ . 1 . 2]" 1
243 1 16 ASP HB3 1 17 GLU H 1.800 . 5.500 4.234 3.577 4.490 . 0 0 "[ . 1 . 2]" 1
244 1 16 ASP HB2 1 17 GLU H 1.800 . 5.500 4.587 4.229 4.668 . 0 0 "[ . 1 . 2]" 1
245 1 16 ASP QB 1 17 GLU H 1.800 . 5.000 3.904 3.395 4.033 . 0 0 "[ . 1 . 2]" 1
246 1 17 GLU H 1 17 GLU QB 1.800 . 3.000 2.698 2.611 2.953 . 0 0 "[ . 1 . 2]" 1
247 1 17 GLU H 1 17 GLU QG 1.800 . 3.500 2.054 1.968 2.226 . 0 0 "[ . 1 . 2]" 1
248 1 17 GLU H 1 18 ASP QB 1.800 . 5.500 4.475 3.894 4.946 . 0 0 "[ . 1 . 2]" 1
249 1 17 GLU H 1 18 ASP H 1.800 . 3.500 2.683 2.200 2.796 . 0 0 "[ . 1 . 2]" 1
250 1 17 GLU HA 1 20 GLU HA 1.800 . 4.500 3.484 2.986 3.923 . 0 0 "[ . 1 . 2]" 1
251 1 16 ASP HA 1 18 ASP H 1.800 . 5.000 3.491 3.379 3.960 . 0 0 "[ . 1 . 2]" 1
252 1 17 GLU HA 1 18 ASP H 1.800 . 4.500 3.484 3.467 3.505 . 0 0 "[ . 1 . 2]" 1
253 1 17 GLU QB 1 18 ASP H 1.800 . 3.500 3.515 3.466 3.534 0.034 13 0 "[ . 1 . 2]" 1
254 1 17 GLU QG 1 18 ASP H 1.800 . 5.000 2.247 2.080 2.316 . 0 0 "[ . 1 . 2]" 1
255 1 18 ASP H 1 18 ASP HA 1.800 . 3.000 2.745 2.716 2.879 . 0 0 "[ . 1 . 2]" 1
256 1 18 ASP H 1 19 SER H 1.800 . 3.000 2.937 2.415 3.012 0.012 2 0 "[ . 1 . 2]" 1
257 1 17 GLU QB 1 18 ASP QB 1.800 . 6.000 4.976 4.544 5.338 . 0 0 "[ . 1 . 2]" 1
258 1 17 GLU QG 1 18 ASP HB3 1.800 . 5.000 4.836 3.682 5.027 0.027 9 0 "[ . 1 . 2]" 1
259 1 17 GLU QG 1 18 ASP HB2 1.800 . 5.000 3.885 3.314 4.998 . 0 0 "[ . 1 . 2]" 1
260 1 16 ASP HB3 1 19 SER H 1.800 . 5.000 3.125 2.380 3.602 . 0 0 "[ . 1 . 2]" 1
261 1 16 ASP HB2 1 19 SER H 1.800 . 5.000 4.735 3.942 4.963 . 0 0 "[ . 1 . 2]" 1
262 1 17 GLU HA 1 19 SER H 1.800 . 5.000 4.289 3.960 4.836 . 0 0 "[ . 1 . 2]" 1
263 1 17 GLU QB 1 19 SER H 1.800 . 6.000 5.199 4.959 5.585 . 0 0 "[ . 1 . 2]" 1
264 1 17 GLU H 1 19 SER H 1.800 . 5.500 4.699 3.835 4.882 . 0 0 "[ . 1 . 2]" 1
265 1 18 ASP HA 1 19 SER H 1.800 . 4.500 3.568 3.516 3.583 . 0 0 "[ . 1 . 2]" 1
266 1 18 ASP HB3 1 19 SER H 1.800 . 4.000 2.766 2.386 4.016 0.016 18 0 "[ . 1 . 2]" 1
267 1 18 ASP HB2 1 19 SER H 1.800 . 4.000 3.318 2.349 3.933 . 0 0 "[ . 1 . 2]" 1
268 1 18 ASP QB 1 19 SER H 1.800 . 3.500 2.492 2.315 3.445 . 0 0 "[ . 1 . 2]" 1
269 1 19 SER H 1 20 GLU HA 1.800 . 4.500 4.207 4.090 4.513 0.013 5 0 "[ . 1 . 2]" 1
270 1 19 SER H 1 20 GLU QB 1.800 . 5.500 4.927 4.538 5.167 . 0 0 "[ . 1 . 2]" 1
271 1 19 SER H 1 20 GLU H 1.800 . 3.000 2.211 2.089 2.262 . 0 0 "[ . 1 . 2]" 1
272 1 19 SER HA 1 20 GLU QB 1.800 . 5.000 4.237 3.883 4.449 . 0 0 "[ . 1 . 2]" 1
273 1 19 SER QB 1 21 THR MG 1.800 . 6.000 4.560 4.187 5.132 . 0 0 "[ . 1 . 2]" 1
274 1 16 ASP QB 1 20 GLU H 1.800 . 6.000 3.718 2.501 4.300 . 0 0 "[ . 1 . 2]" 1
275 1 17 GLU HA 1 20 GLU H 1.800 . 4.500 3.197 2.949 3.592 . 0 0 "[ . 1 . 2]" 1
276 1 17 GLU QB 1 20 GLU H 1.800 . 5.500 4.728 4.479 5.039 . 0 0 "[ . 1 . 2]" 1
277 1 18 ASP HA 1 20 GLU H 1.800 . 5.500 4.755 4.622 4.908 . 0 0 "[ . 1 . 2]" 1
278 1 18 ASP HB3 1 20 GLU H 1.800 . 6.000 4.877 4.457 5.820 . 0 0 "[ . 1 . 2]" 1
279 1 18 ASP HB2 1 20 GLU H 1.800 . 6.000 5.211 4.384 5.774 . 0 0 "[ . 1 . 2]" 1
280 1 18 ASP H 1 20 GLU H 1.800 . 4.500 3.967 3.731 4.089 . 0 0 "[ . 1 . 2]" 1
281 1 19 SER HA 1 20 GLU H 1.800 . 4.500 3.055 2.877 3.505 . 0 0 "[ . 1 . 2]" 1
282 1 19 SER QB 1 20 GLU H 1.800 . 5.000 3.670 2.853 4.053 . 0 0 "[ . 1 . 2]" 1
283 1 20 GLU H 1 20 GLU HA 1.800 . 3.000 2.275 2.267 2.288 . 0 0 "[ . 1 . 2]" 1
284 1 20 GLU H 1 20 GLU QB 1.800 . 3.500 3.256 2.808 3.427 . 0 0 "[ . 1 . 2]" 1
285 1 20 GLU H 1 21 THR HB 1.800 . 5.500 5.190 4.843 5.364 . 0 0 "[ . 1 . 2]" 1
286 1 20 GLU H 1 21 THR H 1.800 . 3.500 3.073 2.652 3.319 . 0 0 "[ . 1 . 2]" 1
287 1 20 GLU HB3 1 36 LYS QG 1.800 . 5.500 3.733 2.972 5.418 . 0 0 "[ . 1 . 2]" 1
288 1 20 GLU HB2 1 36 LYS QG 1.800 . 5.500 4.840 4.151 5.519 0.019 5 0 "[ . 1 . 2]" 1
289 1 17 GLU HA 1 20 GLU QG 1.800 . 5.500 3.717 2.857 4.419 . 0 0 "[ . 1 . 2]" 1
290 1 15 TYR HA 1 21 THR H 1.800 . 5.000 4.506 4.237 4.706 . 0 0 "[ . 1 . 2]" 1
291 1 16 ASP HB3 1 21 THR H 1.800 . 5.000 2.432 1.938 3.718 . 0 0 "[ . 1 . 2]" 1
292 1 16 ASP HB2 1 21 THR H 1.800 . 5.000 3.467 2.592 4.515 . 0 0 "[ . 1 . 2]" 1
293 1 16 ASP QB 1 21 THR H 1.800 . 4.000 2.348 1.891 3.554 . 0 0 "[ . 1 . 2]" 1
294 1 16 ASP H 1 21 THR H 1.800 . 4.000 2.756 2.420 3.217 . 0 0 "[ . 1 . 2]" 1
295 1 17 GLU HA 1 21 THR H 1.800 . 5.500 4.806 4.435 5.467 . 0 0 "[ . 1 . 2]" 1
296 1 18 ASP H 1 21 THR H 1.800 . 6.000 5.316 5.121 5.941 . 0 0 "[ . 1 . 2]" 1
297 1 19 SER QB 1 21 THR H 1.800 . 5.500 4.325 2.700 5.087 . 0 0 "[ . 1 . 2]" 1
298 1 19 SER H 1 21 THR H 1.800 . 5.000 3.791 3.568 4.208 . 0 0 "[ . 1 . 2]" 1
299 1 20 GLU HA 1 21 THR H 1.800 . 3.000 2.504 2.316 2.798 . 0 0 "[ . 1 . 2]" 1
300 1 20 GLU QB 1 21 THR H 1.800 . 4.500 3.898 3.800 4.015 . 0 0 "[ . 1 . 2]" 1
301 1 21 THR H 1 21 THR HB 1.800 . 3.000 2.867 2.795 2.949 . 0 0 "[ . 1 . 2]" 1
302 1 21 THR H 1 21 THR MG 1.800 . 5.000 3.968 3.934 3.989 . 0 0 "[ . 1 . 2]" 1
303 1 21 THR H 1 22 TYR H 1.800 . 5.000 4.409 4.367 4.440 . 0 0 "[ . 1 . 2]" 1
304 1 21 THR H 1 35 THR MG 1.800 . 6.000 5.572 5.252 5.896 . 0 0 "[ . 1 . 2]" 1
305 1 21 THR H 1 36 LYS QB 1.800 . 6.000 4.676 4.363 4.856 . 0 0 "[ . 1 . 2]" 1
306 1 21 THR HA 1 22 TYR HA 1.800 . 6.000 4.412 4.384 4.437 . 0 0 "[ . 1 . 2]" 1
307 1 21 THR HA 1 22 TYR QB 1.800 . 5.500 4.455 4.401 4.498 . 0 0 "[ . 1 . 2]" 1
308 1 21 THR HA 1 33 SER QB 1.800 . 6.000 5.873 5.698 6.018 0.018 10 0 "[ . 1 . 2]" 1
309 1 21 THR HA 1 34 ILE MG 1.800 . 6.000 4.493 4.318 4.604 . 0 0 "[ . 1 . 2]" 1
310 1 21 THR HA 1 34 ILE H 1.800 . 5.500 4.584 4.438 4.743 . 0 0 "[ . 1 . 2]" 1
311 1 21 THR HA 1 35 THR HA 1.800 . 3.000 2.299 2.205 2.481 . 0 0 "[ . 1 . 2]" 1
312 1 21 THR HA 1 35 THR MG 1.800 . 4.000 3.783 3.530 3.957 . 0 0 "[ . 1 . 2]" 1
313 1 21 THR MG 1 22 TYR HA 1.800 . 6.000 3.880 3.745 4.092 . 0 0 "[ . 1 . 2]" 1
314 1 21 THR MG 1 23 PHE HA 1.800 . 6.000 4.470 4.323 4.719 . 0 0 "[ . 1 . 2]" 1
315 1 21 THR MG 1 23 PHE H 1.800 . 6.000 4.698 4.518 4.948 . 0 0 "[ . 1 . 2]" 1
316 1 21 THR MG 1 33 SER HA 1.800 . 4.000 3.433 3.294 3.576 . 0 0 "[ . 1 . 2]" 1
317 1 21 THR MG 1 33 SER HB3 1.800 . 4.000 3.609 2.642 3.999 . 0 0 "[ . 1 . 2]" 1
318 1 21 THR MG 1 33 SER HB2 1.800 . 4.000 2.976 2.614 3.990 . 0 0 "[ . 1 . 2]" 1
319 1 21 THR MG 1 33 SER QB 1.800 . 3.000 2.732 2.561 2.970 . 0 0 "[ . 1 . 2]" 1
320 1 21 THR MG 1 35 THR HA 1.800 . 3.500 2.305 2.081 2.603 . 0 0 "[ . 1 . 2]" 1
321 1 21 THR MG 1 35 THR MG 1.800 . 4.000 2.459 2.271 2.602 . 0 0 "[ . 1 . 2]" 1
322 1 21 THR HA 1 22 TYR H 1.800 . 3.000 2.299 2.237 2.358 . 0 0 "[ . 1 . 2]" 1
323 1 21 THR HB 1 22 TYR H 1.800 . 5.000 3.769 3.573 3.936 . 0 0 "[ . 1 . 2]" 1
324 1 21 THR MG 1 22 TYR H 1.800 . 3.500 2.107 1.999 2.258 . 0 0 "[ . 1 . 2]" 1
325 1 22 TYR H 1 23 PHE H 1.800 . 5.000 4.477 4.390 4.554 . 0 0 "[ . 1 . 2]" 1
326 1 22 TYR H 1 34 ILE MG 1.800 . 4.500 2.795 2.702 2.912 . 0 0 "[ . 1 . 2]" 1
327 1 22 TYR H 1 35 THR HA 1.800 . 4.500 3.429 3.347 3.485 . 0 0 "[ . 1 . 2]" 1
328 1 22 TYR H 1 35 THR MG 1.800 . 6.000 4.781 4.652 4.917 . 0 0 "[ . 1 . 2]" 1
329 1 22 TYR H 1 36 LYS H 1.800 . 4.500 4.473 4.277 4.522 0.022 3 0 "[ . 1 . 2]" 1
330 1 22 TYR HA 1 34 ILE MG 1.800 . 6.000 4.060 4.002 4.123 . 0 0 "[ . 1 . 2]" 1
331 1 10 ILE MD 1 22 TYR HB3 1.800 . 4.500 2.759 2.524 3.051 . 0 0 "[ . 1 . 2]" 1
332 1 10 ILE MD 1 22 TYR HB2 1.800 . 4.500 2.863 2.721 3.038 . 0 0 "[ . 1 . 2]" 1
333 1 22 TYR HB3 1 39 LEU QD 1.800 . 6.000 4.227 4.006 4.539 . 0 0 "[ . 1 . 2]" 1
334 1 22 TYR HB2 1 39 LEU QD 1.800 . 6.000 3.325 3.086 3.669 . 0 0 "[ . 1 . 2]" 1
335 1 13 PHE HA 1 23 PHE H 1.800 . 5.000 4.397 4.134 4.619 . 0 0 "[ . 1 . 2]" 1
336 1 13 PHE HB3 1 23 PHE H 1.800 . 5.000 3.047 2.673 3.278 . 0 0 "[ . 1 . 2]" 1
337 1 13 PHE HB2 1 23 PHE H 1.800 . 5.000 4.792 4.418 5.021 0.021 13 0 "[ . 1 . 2]" 1
338 1 13 PHE QB 1 23 PHE H 1.800 . 4.500 3.014 2.652 3.238 . 0 0 "[ . 1 . 2]" 1
339 1 14 GLN HB3 1 23 PHE H 1.800 . 5.000 3.361 2.819 4.180 . 0 0 "[ . 1 . 2]" 1
340 1 14 GLN HB2 1 23 PHE H 1.800 . 5.000 3.995 3.163 4.788 . 0 0 "[ . 1 . 2]" 1
341 1 15 TYR HA 1 23 PHE H 1.800 . 5.000 4.505 3.852 4.908 . 0 0 "[ . 1 . 2]" 1
342 1 22 TYR HA 1 23 PHE H 1.800 . 3.000 2.214 2.171 2.235 . 0 0 "[ . 1 . 2]" 1
343 1 23 PHE H 1 34 ILE MG 1.800 . 6.000 4.487 4.425 4.587 . 0 0 "[ . 1 . 2]" 1
344 1 23 PHE HA 1 33 SER HB3 1.800 . 6.000 4.136 3.946 4.594 . 0 0 "[ . 1 . 2]" 1
345 1 23 PHE HA 1 33 SER HB2 1.800 . 6.000 4.845 4.496 5.398 . 0 0 "[ . 1 . 2]" 1
346 1 23 PHE HA 1 33 SER QB 1.800 . 5.500 3.913 3.765 4.354 . 0 0 "[ . 1 . 2]" 1
347 1 23 PHE HA 1 34 ILE H 1.800 . 5.500 3.700 3.627 3.819 . 0 0 "[ . 1 . 2]" 1
348 1 14 GLN QB 1 23 PHE HB3 1.800 . 5.500 4.496 3.767 5.258 . 0 0 "[ . 1 . 2]" 1
349 1 14 GLN QB 1 23 PHE HB2 1.800 . 5.500 3.040 2.221 4.943 . 0 0 "[ . 1 . 2]" 1
350 1 22 TYR HA 1 23 PHE HB3 1.800 . 6.000 5.601 4.718 5.667 . 0 0 "[ . 1 . 2]" 1
351 1 22 TYR HA 1 23 PHE HB2 1.800 . 6.000 4.652 4.412 5.647 . 0 0 "[ . 1 . 2]" 1
352 1 23 PHE HB3 1 31 ASN QB 1.800 . 5.000 2.782 2.590 3.884 . 0 0 "[ . 1 . 2]" 1
353 1 23 PHE HB2 1 31 ASN QB 1.800 . 5.000 3.809 2.576 4.109 . 0 0 "[ . 1 . 2]" 1
354 1 23 PHE QB 1 31 ASN QB 1.800 . 4.000 2.665 2.541 2.816 . 0 0 "[ . 1 . 2]" 1
355 1 23 PHE HA 1 24 TYR H 1.800 . 3.000 2.323 2.269 2.389 . 0 0 "[ . 1 . 2]" 1
356 1 23 PHE HB3 1 24 TYR H 1.800 . 4.000 2.705 2.502 3.728 . 0 0 "[ . 1 . 2]" 1
357 1 23 PHE HB2 1 24 TYR H 1.800 . 4.000 3.672 2.708 3.982 . 0 0 "[ . 1 . 2]" 1
358 1 23 PHE QB 1 24 TYR H 1.800 . 3.500 2.600 2.460 2.731 . 0 0 "[ . 1 . 2]" 1
359 1 24 TYR H 1 31 ASN HA 1.800 . 5.000 4.259 3.992 4.411 . 0 0 "[ . 1 . 2]" 1
360 1 24 TYR H 1 31 ASN HB3 1.800 . 5.000 3.131 2.856 3.520 . 0 0 "[ . 1 . 2]" 1
361 1 24 TYR H 1 31 ASN HB2 1.800 . 5.000 4.323 4.070 4.726 . 0 0 "[ . 1 . 2]" 1
362 1 24 TYR H 1 31 ASN QB 1.800 . 4.000 3.061 2.819 3.429 . 0 0 "[ . 1 . 2]" 1
363 1 24 TYR H 1 32 PHE H 1.800 . 3.500 2.845 2.737 2.985 . 0 0 "[ . 1 . 2]" 1
364 1 24 TYR H 1 33 SER HA 1.800 . 5.000 4.041 3.908 4.180 . 0 0 "[ . 1 . 2]" 1
365 1 24 TYR QB 1 55 ILE QG 1.800 . 5.500 4.240 3.816 4.513 . 0 0 "[ . 1 . 2]" 1
366 1 24 TYR HB3 1 32 PHE H 1.800 . 6.000 3.327 3.180 3.638 . 0 0 "[ . 1 . 2]" 1
367 1 24 TYR HB2 1 32 PHE H 1.800 . 6.000 4.595 4.446 4.932 . 0 0 "[ . 1 . 2]" 1
368 1 25 PRO HA 1 31 ASN HA 1.800 . 3.500 3.019 2.659 3.329 . 0 0 "[ . 1 . 2]" 1
369 1 25 PRO HA 1 31 ASN QB 1.800 . 6.000 3.074 2.881 3.497 . 0 0 "[ . 1 . 2]" 1
370 1 25 PRO QB 1 31 ASN HA 1.800 . 6.000 4.811 4.496 5.030 . 0 0 "[ . 1 . 2]" 1
371 1 24 TYR HA 1 25 PRO HG3 1.800 . 6.000 4.333 4.086 4.451 . 0 0 "[ . 1 . 2]" 1
372 1 24 TYR HA 1 25 PRO HG2 1.800 . 6.000 4.392 4.343 4.455 . 0 0 "[ . 1 . 2]" 1
373 1 24 TYR HA 1 25 PRO HD3 1.800 . 3.000 2.220 1.902 2.401 . 0 0 "[ . 1 . 2]" 1
374 1 24 TYR HA 1 25 PRO HD2 1.800 . 3.000 2.339 2.168 2.672 . 0 0 "[ . 1 . 2]" 1
375 1 24 TYR H 1 25 PRO HD3 1.800 . 6.000 4.683 4.425 4.880 . 0 0 "[ . 1 . 2]" 1
376 1 24 TYR H 1 25 PRO HD2 1.800 . 6.000 4.950 4.790 5.216 . 0 0 "[ . 1 . 2]" 1
377 1 25 PRO HA 1 26 CYS H 1.800 . 3.000 2.152 2.145 2.157 . 0 0 "[ . 1 . 2]" 1
378 1 25 PRO QB 1 26 CYS H 1.800 . 4.500 3.385 3.285 3.406 . 0 0 "[ . 1 . 2]" 1
379 1 26 CYS H 1 26 CYS HB3 1.800 . 3.500 3.052 2.850 3.115 . 0 0 "[ . 1 . 2]" 1
380 1 26 CYS H 1 26 CYS HB2 1.800 . 3.500 2.388 2.302 2.557 . 0 0 "[ . 1 . 2]" 1
381 1 26 CYS H 1 26 CYS QB 1.800 . 3.000 2.303 2.245 2.430 . 0 0 "[ . 1 . 2]" 1
382 1 26 CYS H 1 28 CYS H 1.800 . 5.000 4.990 4.546 5.021 0.021 13 0 "[ . 1 . 2]" 1
383 1 26 CYS H 1 31 ASN HA 1.800 . 3.000 2.452 2.336 2.638 . 0 0 "[ . 1 . 2]" 1
384 1 26 CYS H 1 31 ASN HB3 1.800 . 5.500 4.071 3.904 4.648 . 0 0 "[ . 1 . 2]" 1
385 1 26 CYS H 1 31 ASN HB2 1.800 . 5.500 4.976 4.725 5.324 . 0 0 "[ . 1 . 2]" 1
386 1 26 CYS H 1 31 ASN QB 1.800 . 5.000 3.896 3.749 4.373 . 0 0 "[ . 1 . 2]" 1
387 1 26 CYS H 1 32 PHE H 1.800 . 4.000 3.973 3.862 4.014 0.014 4 0 "[ . 1 . 2]" 1
388 1 26 CYS HA 1 27 PRO QD 1.800 . 5.000 2.026 1.892 2.071 . 0 0 "[ . 1 . 2]" 1
389 1 26 CYS HB3 1 31 ASN HA 1.800 . 5.500 3.960 3.272 4.187 . 0 0 "[ . 1 . 2]" 1
390 1 26 CYS HB2 1 31 ASN HA 1.800 . 5.500 2.508 1.984 3.059 . 0 0 "[ . 1 . 2]" 1
391 1 26 CYS HB3 1 32 PHE H 1.800 . 5.500 5.034 4.463 5.249 . 0 0 "[ . 1 . 2]" 1
392 1 26 CYS HB2 1 32 PHE H 1.800 . 5.500 3.291 2.741 3.490 . 0 0 "[ . 1 . 2]" 1
393 1 27 PRO QB 1 53 LEU QD 1.800 . 6.000 5.175 4.074 5.510 . 0 0 "[ . 1 . 2]" 1
394 1 27 PRO HG3 1 53 LEU QD 1.800 . 5.000 4.743 4.182 4.987 . 0 0 "[ . 1 . 2]" 1
395 1 27 PRO HG2 1 53 LEU QD 1.800 . 5.000 4.064 3.360 4.290 . 0 0 "[ . 1 . 2]" 1
396 1 27 PRO QG 1 53 LEU MD1 1.800 . 6.000 4.639 3.718 5.951 . 0 0 "[ . 1 . 2]" 1
397 1 27 PRO QG 1 53 LEU MD2 1.800 . 6.000 4.931 3.268 5.990 . 0 0 "[ . 1 . 2]" 1
398 1 27 PRO QG 1 53 LEU QD 1.800 . 4.000 3.831 3.229 3.988 . 0 0 "[ . 1 . 2]" 1
399 1 27 PRO QD 1 53 LEU QD 1.800 . 5.000 3.852 3.018 4.329 . 0 0 "[ . 1 . 2]" 1
400 1 26 CYS HA 1 28 CYS H 1.800 . 5.500 3.984 3.896 4.556 . 0 0 "[ . 1 . 2]" 1
401 1 26 CYS HB3 1 28 CYS H 1.800 . 5.000 2.667 2.545 3.421 . 0 0 "[ . 1 . 2]" 1
402 1 26 CYS HB2 1 28 CYS H 1.800 . 5.000 4.332 4.245 5.007 0.007 11 0 "[ . 1 . 2]" 1
403 1 26 CYS QB 1 28 CYS H 1.800 . 4.000 2.643 2.526 3.366 . 0 0 "[ . 1 . 2]" 1
404 1 27 PRO HA 1 28 CYS H 1.800 . 4.500 3.440 2.617 3.537 . 0 0 "[ . 1 . 2]" 1
405 1 27 PRO HB3 1 28 CYS H 1.800 . 5.000 4.329 4.106 4.645 . 0 0 "[ . 1 . 2]" 1
406 1 27 PRO HB2 1 28 CYS H 1.800 . 5.000 3.525 2.818 4.349 . 0 0 "[ . 1 . 2]" 1
407 1 27 PRO QB 1 28 CYS H 1.800 . 4.500 3.367 2.771 3.991 . 0 0 "[ . 1 . 2]" 1
408 1 27 PRO QD 1 28 CYS H 1.800 . 5.000 2.837 2.727 4.122 . 0 0 "[ . 1 . 2]" 1
409 1 27 PRO QG 1 28 CYS H 1.800 . 5.000 3.105 2.757 4.471 . 0 0 "[ . 1 . 2]" 1
410 1 28 CYS H 1 28 CYS QB 1.800 . 3.500 2.607 2.497 3.228 . 0 0 "[ . 1 . 2]" 1
411 1 28 CYS H 1 29 GLY H 1.800 . 3.000 2.503 2.049 2.607 . 0 0 "[ . 1 . 2]" 1
412 1 28 CYS H 1 30 ASP H 1.800 . 5.500 4.553 4.076 4.907 . 0 0 "[ . 1 . 2]" 1
413 1 28 CYS H 1 53 LEU QD 1.800 . 5.500 5.020 4.405 5.489 . 0 0 "[ . 1 . 2]" 1
414 1 28 CYS QB 1 51 CYS QB 1.800 . 5.000 2.634 2.298 3.375 . 0 0 "[ . 1 . 2]" 1
415 1 26 CYS HB3 1 29 GLY H 1.800 . 5.000 2.638 2.458 3.112 . 0 0 "[ . 1 . 2]" 1
416 1 26 CYS HB2 1 29 GLY H 1.800 . 5.000 4.142 3.953 4.764 . 0 0 "[ . 1 . 2]" 1
417 1 26 CYS QB 1 29 GLY H 1.800 . 4.000 2.609 2.435 3.073 . 0 0 "[ . 1 . 2]" 1
418 1 26 CYS H 1 29 GLY H 1.800 . 5.000 4.269 3.868 4.485 . 0 0 "[ . 1 . 2]" 1
419 1 27 PRO HA 1 29 GLY H 1.800 . 5.000 4.371 4.064 4.617 . 0 0 "[ . 1 . 2]" 1
420 1 28 CYS HA 1 29 GLY H 1.800 . 4.500 3.538 3.510 3.569 . 0 0 "[ . 1 . 2]" 1
421 1 28 CYS HB3 1 29 GLY H 1.800 . 5.000 3.971 3.829 4.045 . 0 0 "[ . 1 . 2]" 1
422 1 28 CYS HB2 1 29 GLY H 1.800 . 5.000 3.793 3.589 3.923 . 0 0 "[ . 1 . 2]" 1
423 1 29 GLY H 1 30 ASP H 1.800 . 3.500 2.543 2.056 2.753 . 0 0 "[ . 1 . 2]" 1
424 1 29 GLY HA3 1 30 ASP H 1.800 . 5.000 2.787 2.586 3.466 . 0 0 "[ . 1 . 2]" 1
425 1 29 GLY HA2 1 30 ASP H 1.800 . 5.000 3.529 3.085 3.577 . 0 0 "[ . 1 . 2]" 1
426 1 26 CYS QB 1 30 ASP H 1.800 . 5.000 3.382 2.625 3.650 . 0 0 "[ . 1 . 2]" 1
427 1 30 ASP H 1 30 ASP HB3 1.800 . 3.500 3.118 2.927 3.498 . 0 0 "[ . 1 . 2]" 1
428 1 30 ASP H 1 30 ASP HB2 1.800 . 3.500 2.200 2.100 2.326 . 0 0 "[ . 1 . 2]" 1
429 1 30 ASP H 1 31 ASN HA 1.800 . 6.000 5.220 4.325 5.371 . 0 0 "[ . 1 . 2]" 1
430 1 30 ASP H 1 31 ASN H 1.800 . 5.000 4.279 2.109 4.559 . 0 0 "[ . 1 . 2]" 1
431 1 30 ASP HB3 1 50 SER QB 1.800 . 4.000 3.080 2.690 3.929 . 0 0 "[ . 1 . 2]" 1
432 1 30 ASP HB2 1 50 SER QB 1.800 . 4.000 2.381 1.890 2.931 . 0 0 "[ . 1 . 2]" 1
433 1 26 CYS QB 1 31 ASN H 1.800 . 5.500 3.984 2.187 4.424 . 0 0 "[ . 1 . 2]" 1
434 1 30 ASP HA 1 31 ASN H 1.800 . 3.500 2.793 2.627 3.514 0.014 4 0 "[ . 1 . 2]" 1
435 1 30 ASP HB3 1 31 ASN H 1.800 . 4.500 2.487 1.961 3.447 . 0 0 "[ . 1 . 2]" 1
436 1 30 ASP HB2 1 31 ASN H 1.800 . 4.500 3.609 2.968 3.806 . 0 0 "[ . 1 . 2]" 1
437 1 30 ASP QB 1 31 ASN H 1.800 . 3.500 2.401 1.951 2.892 . 0 0 "[ . 1 . 2]" 1
438 1 31 ASN H 1 31 ASN QB 1.800 . 3.500 2.819 2.650 3.468 . 0 0 "[ . 1 . 2]" 1
439 1 31 ASN H 1 49 PRO HD3 1.800 . 6.000 5.178 4.058 5.955 . 0 0 "[ . 1 . 2]" 1
440 1 31 ASN H 1 49 PRO HD2 1.800 . 6.000 4.016 2.858 4.797 . 0 0 "[ . 1 . 2]" 1
441 1 31 ASN H 1 49 PRO QD 1.800 . 5.500 3.884 2.804 4.600 . 0 0 "[ . 1 . 2]" 1
442 1 31 ASN HA 1 32 PHE QB 1.800 . 6.000 4.312 4.241 4.463 . 0 0 "[ . 1 . 2]" 1
443 1 23 PHE HA 1 31 ASN HB3 1.800 . 5.500 4.681 4.450 4.783 . 0 0 "[ . 1 . 2]" 1
444 1 23 PHE HA 1 31 ASN HB2 1.800 . 5.500 5.298 5.110 5.498 . 0 0 "[ . 1 . 2]" 1
445 1 23 PHE HA 1 32 PHE H 1.800 . 5.500 4.797 4.683 4.911 . 0 0 "[ . 1 . 2]" 1
446 1 25 PRO HA 1 32 PHE H 1.800 . 5.000 4.205 4.031 4.445 . 0 0 "[ . 1 . 2]" 1
447 1 31 ASN HA 1 32 PHE H 1.800 . 3.000 2.190 2.122 2.222 . 0 0 "[ . 1 . 2]" 1
448 1 31 ASN HB3 1 32 PHE H 1.800 . 5.000 3.054 2.904 3.390 . 0 0 "[ . 1 . 2]" 1
449 1 31 ASN HB2 1 32 PHE H 1.800 . 5.000 3.973 3.842 4.153 . 0 0 "[ . 1 . 2]" 1
450 1 31 ASN QB 1 32 PHE H 1.800 . 4.000 2.959 2.823 3.246 . 0 0 "[ . 1 . 2]" 1
451 1 32 PHE H 1 32 PHE HB3 1.800 . 4.000 3.549 3.523 3.593 . 0 0 "[ . 1 . 2]" 1
452 1 32 PHE H 1 32 PHE HB2 1.800 . 4.000 2.298 2.229 2.449 . 0 0 "[ . 1 . 2]" 1
453 1 32 PHE H 1 32 PHE QB 1.800 . 3.000 2.271 2.206 2.410 . 0 0 "[ . 1 . 2]" 1
454 1 32 PHE H 1 46 ALA MB 1.800 . 6.000 4.849 4.710 4.958 . 0 0 "[ . 1 . 2]" 1
455 1 32 PHE H 1 55 ILE MD 1.800 . 6.000 4.315 4.150 4.513 . 0 0 "[ . 1 . 2]" 1
456 1 32 PHE HA 1 46 ALA MB 1.800 . 5.000 3.722 3.624 3.802 . 0 0 "[ . 1 . 2]" 1
457 1 32 PHE HA 1 48 CYS HA 1.800 . 3.000 2.806 2.098 3.020 0.020 6 0 "[ . 1 . 2]" 1
458 1 32 PHE HA 1 48 CYS QB 1.800 . 4.500 3.530 3.108 4.270 . 0 0 "[ . 1 . 2]" 1
459 1 24 TYR QB 1 32 PHE QB 1.800 . 5.000 2.099 1.905 2.415 . 0 0 "[ . 1 . 2]" 1
460 1 24 TYR H 1 32 PHE HB3 1.800 . 6.000 3.714 3.408 4.191 . 0 0 "[ . 1 . 2]" 1
461 1 24 TYR H 1 32 PHE HB2 1.800 . 6.000 2.631 2.399 2.951 . 0 0 "[ . 1 . 2]" 1
462 1 32 PHE HB3 1 46 ALA MB 1.800 . 4.000 1.910 1.773 2.058 0.027 12 0 "[ . 1 . 2]" 1
463 1 32 PHE HB2 1 46 ALA MB 1.800 . 4.000 3.165 2.903 3.340 . 0 0 "[ . 1 . 2]" 1
464 1 32 PHE HA 1 33 SER H 1.800 . 3.000 2.444 2.376 2.523 . 0 0 "[ . 1 . 2]" 1
465 1 32 PHE QB 1 33 SER H 1.800 . 4.500 2.398 2.262 2.544 . 0 0 "[ . 1 . 2]" 1
466 1 32 PHE H 1 33 SER H 1.800 . 5.500 4.649 4.628 4.665 . 0 0 "[ . 1 . 2]" 1
467 1 33 SER H 1 34 ILE H 1.800 . 4.500 4.298 4.266 4.334 . 0 0 "[ . 1 . 2]" 1
468 1 33 SER H 1 46 ALA HA 1.800 . 5.000 3.877 3.670 4.019 . 0 0 "[ . 1 . 2]" 1
469 1 33 SER H 1 46 ALA MB 1.800 . 4.500 2.544 2.356 2.704 . 0 0 "[ . 1 . 2]" 1
470 1 33 SER H 1 47 THR HA 1.800 . 5.500 5.142 4.679 5.440 . 0 0 "[ . 1 . 2]" 1
471 1 33 SER H 1 47 THR H 1.800 . 4.000 3.357 2.944 3.555 . 0 0 "[ . 1 . 2]" 1
472 1 33 SER H 1 48 CYS HA 1.800 . 5.000 4.293 3.846 4.594 . 0 0 "[ . 1 . 2]" 1
473 1 33 SER H 1 48 CYS H 1.800 . 6.000 5.449 4.890 5.826 . 0 0 "[ . 1 . 2]" 1
474 1 33 SER H 1 49 PRO QD 1.800 . 5.500 4.515 4.082 4.731 . 0 0 "[ . 1 . 2]" 1
475 1 22 TYR HA 1 33 SER HA 1.800 . 6.000 5.371 5.307 5.465 . 0 0 "[ . 1 . 2]" 1
476 1 24 TYR QB 1 33 SER HA 1.800 . 6.000 5.353 5.208 5.532 . 0 0 "[ . 1 . 2]" 1
477 1 32 PHE QB 1 33 SER HA 1.800 . 5.000 3.897 3.847 3.947 . 0 0 "[ . 1 . 2]" 1
478 1 33 SER HA 1 34 ILE HA 1.800 . 5.500 4.450 4.446 4.457 . 0 0 "[ . 1 . 2]" 1
479 1 33 SER HA 1 34 ILE MG 1.800 . 4.500 3.600 3.526 3.647 . 0 0 "[ . 1 . 2]" 1
480 1 33 SER HA 1 35 THR H 1.800 . 6.000 6.008 5.978 6.020 0.020 9 0 "[ . 1 . 2]" 1
481 1 33 SER HA 1 46 ALA MB 1.800 . 5.500 3.871 3.590 4.119 . 0 0 "[ . 1 . 2]" 1
482 1 21 THR MG 1 34 ILE H 1.800 . 3.500 2.377 2.141 2.684 . 0 0 "[ . 1 . 2]" 1
483 1 22 TYR HA 1 34 ILE H 1.800 . 6.000 4.686 4.624 4.766 . 0 0 "[ . 1 . 2]" 1
484 1 22 TYR H 1 34 ILE H 1.800 . 3.500 2.855 2.723 3.098 . 0 0 "[ . 1 . 2]" 1
485 1 23 PHE H 1 34 ILE H 1.800 . 6.000 4.979 4.894 5.091 . 0 0 "[ . 1 . 2]" 1
486 1 33 SER HA 1 34 ILE H 1.800 . 3.000 2.192 2.184 2.201 . 0 0 "[ . 1 . 2]" 1
487 1 33 SER HB3 1 34 ILE H 1.800 . 4.500 3.817 3.075 4.082 . 0 0 "[ . 1 . 2]" 1
488 1 33 SER HB2 1 34 ILE H 1.800 . 4.500 3.157 3.022 3.851 . 0 0 "[ . 1 . 2]" 1
489 1 33 SER QB 1 34 ILE H 1.800 . 4.000 2.952 2.936 2.992 . 0 0 "[ . 1 . 2]" 1
490 1 34 ILE H 1 34 ILE MG 1.800 . 3.000 2.262 2.215 2.413 . 0 0 "[ . 1 . 2]" 1
491 1 34 ILE H 1 46 ALA MB 1.800 . 5.500 4.170 3.837 4.512 . 0 0 "[ . 1 . 2]" 1
492 1 34 ILE HB 1 46 ALA HA 1.800 . 3.500 3.105 2.958 3.257 . 0 0 "[ . 1 . 2]" 1
493 1 34 ILE HB 1 46 ALA MB 1.800 . 3.500 2.593 2.304 2.989 . 0 0 "[ . 1 . 2]" 1
494 1 34 ILE HG13 1 39 LEU QD 1.800 . 6.000 3.614 3.230 4.033 . 0 0 "[ . 1 . 2]" 1
495 1 34 ILE HG12 1 39 LEU QD 1.800 . 6.000 2.416 1.947 3.043 . 0 0 "[ . 1 . 2]" 1
496 1 34 ILE HG13 1 39 LEU H 1.800 . 6.000 4.395 4.257 4.756 . 0 0 "[ . 1 . 2]" 1
497 1 34 ILE HG12 1 39 LEU H 1.800 . 6.000 3.713 3.450 4.042 . 0 0 "[ . 1 . 2]" 1
498 1 10 ILE MD 1 34 ILE MG 1.800 . 5.000 3.059 2.910 3.252 . 0 0 "[ . 1 . 2]" 1
499 1 22 TYR QB 1 34 ILE MG 1.800 . 3.000 1.878 1.849 1.916 . 0 0 "[ . 1 . 2]" 1
500 1 33 SER QB 1 34 ILE MG 1.800 . 6.000 4.615 4.575 4.656 . 0 0 "[ . 1 . 2]" 1
501 1 34 ILE MG 1 39 LEU QD 1.800 . 3.000 2.368 2.215 2.724 . 0 0 "[ . 1 . 2]" 1
502 1 34 ILE MG 1 46 ALA HA 1.800 . 4.500 4.481 4.440 4.509 0.009 3 0 "[ . 1 . 2]" 1
503 1 21 THR HA 1 35 THR H 1.800 . 5.500 4.809 4.699 5.016 . 0 0 "[ . 1 . 2]" 1
504 1 34 ILE HA 1 35 THR H 1.800 . 3.000 2.158 2.147 2.169 . 0 0 "[ . 1 . 2]" 1
505 1 34 ILE HB 1 35 THR H 1.800 . 5.000 4.255 4.231 4.284 . 0 0 "[ . 1 . 2]" 1
506 1 34 ILE HG13 1 35 THR H 1.800 . 4.000 2.697 2.554 3.052 . 0 0 "[ . 1 . 2]" 1
507 1 34 ILE HG12 1 35 THR H 1.800 . 4.000 3.570 3.080 3.807 . 0 0 "[ . 1 . 2]" 1
508 1 34 ILE MG 1 35 THR H 1.800 . 5.000 4.054 4.037 4.086 . 0 0 "[ . 1 . 2]" 1
509 1 34 ILE H 1 35 THR H 1.800 . 4.500 4.109 4.086 4.121 . 0 0 "[ . 1 . 2]" 1
510 1 35 THR H 1 35 THR MG 1.800 . 3.000 2.538 2.186 2.978 . 0 0 "[ . 1 . 2]" 1
511 1 35 THR H 1 38 ASP HB3 1.800 . 5.000 4.426 4.314 4.552 . 0 0 "[ . 1 . 2]" 1
512 1 35 THR H 1 38 ASP HB2 1.800 . 5.000 3.124 3.042 3.250 . 0 0 "[ . 1 . 2]" 1
513 1 35 THR H 1 38 ASP QB 1.800 . 4.000 3.064 2.984 3.183 . 0 0 "[ . 1 . 2]" 1
514 1 35 THR H 1 39 LEU QD 1.800 . 6.000 4.890 4.688 5.067 . 0 0 "[ . 1 . 2]" 1
515 1 21 THR HB 1 35 THR HA 1.800 . 5.000 4.467 4.167 4.792 . 0 0 "[ . 1 . 2]" 1
516 1 21 THR HB 1 35 THR MG 1.800 . 5.500 4.512 4.111 4.874 . 0 0 "[ . 1 . 2]" 1
517 1 33 SER QB 1 35 THR MG 1.800 . 6.000 4.700 4.488 4.951 . 0 0 "[ . 1 . 2]" 1
518 1 34 ILE H 1 35 THR MG 1.800 . 6.000 4.838 4.698 5.009 . 0 0 "[ . 1 . 2]" 1
519 1 35 THR MG 1 37 GLU QB 1.800 . 5.500 4.191 4.021 4.306 . 0 0 "[ . 1 . 2]" 1
520 1 35 THR MG 1 38 ASP QB 1.800 . 6.000 4.267 3.988 4.559 . 0 0 "[ . 1 . 2]" 1
521 1 35 THR HA 1 36 LYS H 1.800 . 3.000 2.271 2.258 2.288 . 0 0 "[ . 1 . 2]" 1
522 1 35 THR MG 1 36 LYS H 1.800 . 5.000 3.676 3.395 3.882 . 0 0 "[ . 1 . 2]" 1
523 1 36 LYS H 1 36 LYS HB3 1.800 . 3.000 2.591 2.499 2.808 . 0 0 "[ . 1 . 2]" 1
524 1 36 LYS H 1 36 LYS HB2 1.800 . 3.000 2.474 2.283 2.551 . 0 0 "[ . 1 . 2]" 1
525 1 36 LYS H 1 36 LYS QG 1.800 . 5.000 3.993 3.886 4.029 . 0 0 "[ . 1 . 2]" 1
526 1 36 LYS H 1 37 GLU H 1.800 . 3.500 2.700 2.659 2.731 . 0 0 "[ . 1 . 2]" 1
527 1 36 LYS H 1 39 LEU MD1 1.800 . 5.500 4.319 4.025 4.948 . 0 0 "[ . 1 . 2]" 1
528 1 34 ILE MG 1 36 LYS HA 1.800 . 6.000 4.675 4.593 4.735 . 0 0 "[ . 1 . 2]" 1
529 1 35 THR HA 1 36 LYS HA 1.800 . 6.000 4.318 4.307 4.328 . 0 0 "[ . 1 . 2]" 1
530 1 36 LYS HA 1 39 LEU HB3 1.800 . 5.000 4.947 4.869 5.001 0.001 14 0 "[ . 1 . 2]" 1
531 1 36 LYS HA 1 39 LEU HB2 1.800 . 5.000 3.454 3.382 3.557 . 0 0 "[ . 1 . 2]" 1
532 1 36 LYS HA 1 39 LEU QB 1.800 . 4.000 3.391 3.327 3.480 . 0 0 "[ . 1 . 2]" 1
533 1 36 LYS HA 1 39 LEU HG 1.800 . 5.000 3.469 2.817 3.870 . 0 0 "[ . 1 . 2]" 1
534 1 36 LYS HA 1 39 LEU MD1 1.800 . 6.000 2.037 1.919 2.651 . 0 0 "[ . 1 . 2]" 1
535 1 36 LYS HA 1 39 LEU MD2 1.800 . 6.000 4.607 4.208 4.805 . 0 0 "[ . 1 . 2]" 1
536 1 36 LYS HA 1 39 LEU QD 1.800 . 3.500 2.033 1.917 2.629 . 0 0 "[ . 1 . 2]" 1
537 1 36 LYS HA 1 39 LEU H 1.800 . 4.500 3.568 3.496 3.612 . 0 0 "[ . 1 . 2]" 1
538 1 36 LYS HA 1 40 GLU QG 1.800 . 6.000 4.480 4.118 4.993 . 0 0 "[ . 1 . 2]" 1
539 1 21 THR H 1 36 LYS HB3 1.800 . 6.000 5.991 5.930 6.023 0.023 6 0 "[ . 1 . 2]" 1
540 1 21 THR H 1 36 LYS HB2 1.800 . 6.000 4.884 4.484 5.123 . 0 0 "[ . 1 . 2]" 1
541 1 21 THR HA 1 37 GLU H 1.800 . 6.000 5.497 5.395 5.713 . 0 0 "[ . 1 . 2]" 1
542 1 35 THR HB 1 37 GLU H 1.800 . 3.500 2.728 2.562 2.881 . 0 0 "[ . 1 . 2]" 1
543 1 35 THR MG 1 37 GLU H 1.800 . 5.500 4.278 3.964 4.433 . 0 0 "[ . 1 . 2]" 1
544 1 36 LYS QB 1 37 GLU H 1.800 . 3.000 2.642 2.600 2.700 . 0 0 "[ . 1 . 2]" 1
545 1 36 LYS QG 1 37 GLU H 1.800 . 5.000 3.950 3.651 4.435 . 0 0 "[ . 1 . 2]" 1
546 1 37 GLU H 1 37 GLU HA 1.800 . 3.000 2.806 2.803 2.810 . 0 0 "[ . 1 . 2]" 1
547 1 37 GLU H 1 37 GLU QB 1.800 . 3.000 2.181 2.167 2.199 . 0 0 "[ . 1 . 2]" 1
548 1 37 GLU H 1 38 ASP H 1.800 . 3.500 2.701 2.687 2.723 . 0 0 "[ . 1 . 2]" 1
549 1 37 GLU H 1 39 LEU QD 1.800 . 6.000 4.853 4.714 5.226 . 0 0 "[ . 1 . 2]" 1
550 1 37 GLU H 1 39 LEU H 1.800 . 5.500 4.398 4.289 4.434 . 0 0 "[ . 1 . 2]" 1
551 1 37 GLU H 1 40 GLU QG 1.800 . 5.500 4.908 4.261 5.445 . 0 0 "[ . 1 . 2]" 1
552 1 35 THR HA 1 37 GLU HB3 1.800 . 6.000 5.936 5.814 6.006 0.006 7 0 "[ . 1 . 2]" 1
553 1 35 THR HA 1 37 GLU HB2 1.800 . 6.000 6.010 5.981 6.024 0.024 4 0 "[ . 1 . 2]" 1
554 1 34 ILE MD 1 38 ASP H 1.800 . 6.000 5.211 4.725 5.353 . 0 0 "[ . 1 . 2]" 1
555 1 35 THR HA 1 38 ASP H 1.800 . 5.000 4.608 4.573 4.641 . 0 0 "[ . 1 . 2]" 1
556 1 35 THR MG 1 38 ASP H 1.800 . 6.000 4.330 4.246 4.432 . 0 0 "[ . 1 . 2]" 1
557 1 35 THR H 1 38 ASP H 1.800 . 5.000 4.274 4.138 4.372 . 0 0 "[ . 1 . 2]" 1
558 1 36 LYS H 1 38 ASP H 1.800 . 5.500 4.234 4.198 4.302 . 0 0 "[ . 1 . 2]" 1
559 1 37 GLU HA 1 38 ASP H 1.800 . 4.500 3.540 3.534 3.549 . 0 0 "[ . 1 . 2]" 1
560 1 37 GLU QB 1 38 ASP H 1.800 . 4.000 2.637 2.605 2.675 . 0 0 "[ . 1 . 2]" 1
561 1 37 GLU QG 1 38 ASP H 1.800 . 5.000 4.109 3.981 4.224 . 0 0 "[ . 1 . 2]" 1
562 1 38 ASP H 1 38 ASP HB3 1.800 . 4.000 3.517 3.501 3.540 . 0 0 "[ . 1 . 2]" 1
563 1 38 ASP H 1 38 ASP HB2 1.800 . 4.000 2.219 2.193 2.255 . 0 0 "[ . 1 . 2]" 1
564 1 38 ASP H 1 38 ASP QB 1.800 . 3.000 2.196 2.171 2.231 . 0 0 "[ . 1 . 2]" 1
565 1 38 ASP H 1 39 LEU QD 1.800 . 6.000 4.523 4.411 4.617 . 0 0 "[ . 1 . 2]" 1
566 1 38 ASP H 1 39 LEU H 1.800 . 3.500 2.785 2.742 2.814 . 0 0 "[ . 1 . 2]" 1
567 1 38 ASP H 1 43 GLU QB 1.800 . 6.000 4.459 4.418 4.504 . 0 0 "[ . 1 . 2]" 1
568 1 34 ILE HG13 1 38 ASP HA 1.800 . 6.000 5.382 5.107 5.585 . 0 0 "[ . 1 . 2]" 1
569 1 34 ILE HG12 1 38 ASP HA 1.800 . 6.000 5.847 5.249 6.012 0.012 11 0 "[ . 1 . 2]" 1
570 1 34 ILE MD 1 38 ASP HA 1.800 . 6.000 5.144 4.701 5.382 . 0 0 "[ . 1 . 2]" 1
571 1 38 ASP HA 1 41 ASN HA 1.800 . 6.000 5.668 5.477 5.792 . 0 0 "[ . 1 . 2]" 1
572 1 38 ASP HA 1 43 GLU QB 1.800 . 5.000 2.419 2.304 2.539 . 0 0 "[ . 1 . 2]" 1
573 1 34 ILE QG 1 38 ASP HB3 1.800 . 4.000 2.863 2.542 3.034 . 0 0 "[ . 1 . 2]" 1
574 1 34 ILE QG 1 38 ASP HB2 1.800 . 4.000 2.527 2.204 2.688 . 0 0 "[ . 1 . 2]" 1
575 1 34 ILE HG13 1 38 ASP QB 1.800 . 3.500 2.498 2.338 2.673 . 0 0 "[ . 1 . 2]" 1
576 1 34 ILE HG12 1 38 ASP QB 1.800 . 3.500 2.971 2.327 3.151 . 0 0 "[ . 1 . 2]" 1
577 1 34 ILE QG 1 38 ASP QB 1.800 . 3.000 2.368 2.078 2.517 . 0 0 "[ . 1 . 2]" 1
578 1 34 ILE MD 1 38 ASP HB3 1.800 . 4.500 2.915 2.589 3.150 . 0 0 "[ . 1 . 2]" 1
579 1 34 ILE MD 1 38 ASP HB2 1.800 . 4.500 3.486 3.043 3.642 . 0 0 "[ . 1 . 2]" 1
580 1 34 ILE MD 1 38 ASP QB 1.800 . 4.000 2.774 2.454 2.972 . 0 0 "[ . 1 . 2]" 1
581 1 38 ASP HB3 1 39 LEU QB 1.800 . 6.000 5.065 5.001 5.146 . 0 0 "[ . 1 . 2]" 1
582 1 38 ASP HB2 1 39 LEU QB 1.800 . 6.000 4.931 4.841 5.034 . 0 0 "[ . 1 . 2]" 1
583 1 38 ASP QB 1 39 LEU QB 1.800 . 5.500 4.449 4.405 4.533 . 0 0 "[ . 1 . 2]" 1
584 1 38 ASP HB3 1 43 GLU QB 1.800 . 4.000 1.914 1.839 1.969 . 0 0 "[ . 1 . 2]" 1
585 1 38 ASP HB2 1 43 GLU QB 1.800 . 4.000 3.321 3.260 3.373 . 0 0 "[ . 1 . 2]" 1
586 1 38 ASP QB 1 43 GLU QB 1.800 . 3.500 1.903 1.830 1.957 . 0 0 "[ . 1 . 2]" 1
587 1 34 ILE MD 1 39 LEU H 1.800 . 4.500 3.915 3.199 4.248 . 0 0 "[ . 1 . 2]" 1
588 1 35 THR H 1 39 LEU H 1.800 . 6.000 5.315 5.193 5.539 . 0 0 "[ . 1 . 2]" 1
589 1 36 LYS QD 1 39 LEU H 1.800 . 5.500 5.077 4.590 5.426 . 0 0 "[ . 1 . 2]" 1
590 1 37 GLU QB 1 39 LEU H 1.800 . 5.500 4.866 4.766 4.902 . 0 0 "[ . 1 . 2]" 1
591 1 38 ASP HA 1 39 LEU H 1.800 . 4.500 3.553 3.537 3.563 . 0 0 "[ . 1 . 2]" 1
592 1 38 ASP HB3 1 39 LEU H 1.800 . 4.000 3.142 3.081 3.232 . 0 0 "[ . 1 . 2]" 1
593 1 38 ASP HB2 1 39 LEU H 1.800 . 4.000 2.708 2.647 2.804 . 0 0 "[ . 1 . 2]" 1
594 1 38 ASP QB 1 39 LEU H 1.800 . 3.500 2.557 2.523 2.643 . 0 0 "[ . 1 . 2]" 1
595 1 39 LEU H 1 39 LEU HB3 1.800 . 4.000 3.591 3.584 3.598 . 0 0 "[ . 1 . 2]" 1
596 1 39 LEU H 1 39 LEU HB2 1.800 . 4.000 2.626 2.549 2.666 . 0 0 "[ . 1 . 2]" 1
597 1 39 LEU H 1 39 LEU QB 1.800 . 3.000 2.564 2.498 2.597 . 0 0 "[ . 1 . 2]" 1
598 1 39 LEU H 1 39 LEU MD1 1.800 . 5.000 3.187 3.011 3.632 . 0 0 "[ . 1 . 2]" 1
599 1 39 LEU H 1 39 LEU MD2 1.800 . 5.000 3.432 2.806 3.664 . 0 0 "[ . 1 . 2]" 1
600 1 39 LEU H 1 39 LEU QD 1.800 . 4.500 2.908 2.717 2.977 . 0 0 "[ . 1 . 2]" 1
601 1 39 LEU H 1 39 LEU HG 1.800 . 3.000 2.021 1.964 2.165 . 0 0 "[ . 1 . 2]" 1
602 1 39 LEU H 1 40 GLU H 1.800 . 3.000 2.707 2.629 2.778 . 0 0 "[ . 1 . 2]" 1
603 1 39 LEU H 1 40 GLU QG 1.800 . 6.000 4.475 4.238 4.964 . 0 0 "[ . 1 . 2]" 1
604 1 39 LEU H 1 43 GLU QB 1.800 . 6.000 4.225 4.146 4.357 . 0 0 "[ . 1 . 2]" 1
605 1 34 ILE MD 1 39 LEU HA 1.800 . 4.000 3.713 3.173 4.013 0.013 5 0 "[ . 1 . 2]" 1
606 1 39 LEU HA 1 43 GLU QB 1.800 . 6.000 4.245 4.158 4.405 . 0 0 "[ . 1 . 2]" 1
607 1 34 ILE MD 1 39 LEU QD 1.800 . 3.000 1.928 1.839 2.020 . 0 0 "[ . 1 . 2]" 1
608 1 38 ASP HB3 1 39 LEU QD 1.800 . 6.000 3.966 3.241 4.216 . 0 0 "[ . 1 . 2]" 1
609 1 38 ASP HB2 1 39 LEU QD 1.800 . 6.000 3.987 3.604 4.064 . 0 0 "[ . 1 . 2]" 1
610 1 38 ASP QB 1 39 LEU QD 1.800 . 5.500 3.540 3.020 3.676 . 0 0 "[ . 1 . 2]" 1
611 1 39 LEU QD 1 43 GLU QB 1.800 . 5.500 4.482 3.893 4.771 . 0 0 "[ . 1 . 2]" 1
612 1 39 LEU QD 1 57 VAL HB 1.800 . 5.000 2.268 2.116 2.620 . 0 0 "[ . 1 . 2]" 1
613 1 39 LEU QD 1 59 TYR QB 1.800 . 5.000 3.104 2.913 3.307 . 0 0 "[ . 1 . 2]" 1
614 1 36 LYS QE 1 40 GLU H 1.800 . 5.500 5.327 4.651 5.537 0.037 5 0 "[ . 1 . 2]" 1
615 1 39 LEU HB3 1 40 GLU H 1.800 . 4.000 3.748 3.655 3.887 . 0 0 "[ . 1 . 2]" 1
616 1 39 LEU HB2 1 40 GLU H 1.800 . 4.000 2.579 2.456 2.741 . 0 0 "[ . 1 . 2]" 1
617 1 39 LEU QB 1 40 GLU H 1.800 . 3.500 2.535 2.420 2.689 . 0 0 "[ . 1 . 2]" 1
618 1 39 LEU MD1 1 40 GLU H 1.800 . 6.000 4.158 3.995 4.482 . 0 0 "[ . 1 . 2]" 1
619 1 39 LEU MD2 1 40 GLU H 1.800 . 6.000 4.780 4.514 4.884 . 0 0 "[ . 1 . 2]" 1
620 1 39 LEU QD 1 40 GLU H 1.800 . 5.500 3.911 3.813 4.007 . 0 0 "[ . 1 . 2]" 1
621 1 39 LEU HG 1 40 GLU H 1.800 . 5.000 4.186 4.066 4.333 . 0 0 "[ . 1 . 2]" 1
622 1 40 GLU H 1 40 GLU HA 1.800 . 3.000 2.818 2.801 2.841 . 0 0 "[ . 1 . 2]" 1
623 1 40 GLU H 1 40 GLU HB3 1.800 . 4.000 3.582 3.519 3.603 . 0 0 "[ . 1 . 2]" 1
624 1 40 GLU H 1 40 GLU HB2 1.800 . 4.000 2.421 2.222 2.558 . 0 0 "[ . 1 . 2]" 1
625 1 40 GLU H 1 40 GLU QB 1.800 . 3.000 2.384 2.199 2.507 . 0 0 "[ . 1 . 2]" 1
626 1 40 GLU H 1 42 GLY H 1.800 . 5.000 4.199 4.122 4.282 . 0 0 "[ . 1 . 2]" 1
627 1 39 LEU H 1 40 GLU HA 1.800 . 6.000 5.308 5.245 5.360 . 0 0 "[ . 1 . 2]" 1
628 1 40 GLU HA 1 64 PHE QB 1.800 . 3.000 2.201 1.940 2.919 . 0 0 "[ . 1 . 2]" 1
629 1 40 GLU H 1 40 GLU HG3 1.800 . 4.000 2.446 2.086 3.286 . 0 0 "[ . 1 . 2]" 1
630 1 40 GLU H 1 40 GLU HG2 1.800 . 4.000 3.440 2.795 3.765 . 0 0 "[ . 1 . 2]" 1
631 1 40 GLU H 1 40 GLU QG 1.800 . 3.000 2.374 2.068 2.791 . 0 0 "[ . 1 . 2]" 1
632 1 40 GLU HG3 1 64 PHE QB 1.800 . 5.500 3.568 3.115 4.323 . 0 0 "[ . 1 . 2]" 1
633 1 40 GLU HG2 1 64 PHE QB 1.800 . 5.500 2.443 1.982 3.270 . 0 0 "[ . 1 . 2]" 1
634 1 40 GLU QG 1 64 PHE QB 1.800 . 4.500 2.397 1.961 3.142 . 0 0 "[ . 1 . 2]" 1
635 1 38 ASP HA 1 41 ASN H 1.800 . 4.000 3.540 3.438 3.584 . 0 0 "[ . 1 . 2]" 1
636 1 39 LEU HB3 1 41 ASN H 1.800 . 5.500 5.448 5.342 5.520 0.020 13 0 "[ . 1 . 2]" 1
637 1 39 LEU HB2 1 41 ASN H 1.800 . 5.500 4.878 4.783 5.004 . 0 0 "[ . 1 . 2]" 1
638 1 40 GLU HA 1 41 ASN H 1.800 . 4.000 3.502 3.482 3.521 . 0 0 "[ . 1 . 2]" 1
639 1 40 GLU HB3 1 41 ASN H 1.800 . 4.500 3.805 3.531 3.938 . 0 0 "[ . 1 . 2]" 1
640 1 40 GLU HB2 1 41 ASN H 1.800 . 4.500 2.956 2.814 3.110 . 0 0 "[ . 1 . 2]" 1
641 1 40 GLU QB 1 41 ASN H 1.800 . 3.500 2.857 2.747 2.980 . 0 0 "[ . 1 . 2]" 1
642 1 40 GLU QG 1 41 ASN H 1.800 . 5.000 4.253 4.088 4.418 . 0 0 "[ . 1 . 2]" 1
643 1 40 GLU H 1 41 ASN H 1.800 . 3.000 2.664 2.586 2.726 . 0 0 "[ . 1 . 2]" 1
644 1 41 ASN H 1 41 ASN HB3 1.800 . 3.500 3.489 3.476 3.509 0.009 12 0 "[ . 1 . 2]" 1
645 1 41 ASN H 1 41 ASN HB2 1.800 . 3.500 2.209 2.185 2.252 . 0 0 "[ . 1 . 2]" 1
646 1 41 ASN H 1 41 ASN QB 1.800 . 3.000 2.186 2.163 2.227 . 0 0 "[ . 1 . 2]" 1
647 1 41 ASN H 1 42 GLY H 1.800 . 3.000 2.371 2.256 2.461 . 0 0 "[ . 1 . 2]" 1
648 1 41 ASN H 1 43 GLU QB 1.800 . 6.000 4.640 4.530 4.734 . 0 0 "[ . 1 . 2]" 1
649 1 41 ASN H 1 43 GLU H 1.800 . 4.500 3.755 3.664 3.864 . 0 0 "[ . 1 . 2]" 1
650 1 38 ASP HA 1 41 ASN HB3 1.800 . 4.500 4.296 4.062 4.490 . 0 0 "[ . 1 . 2]" 1
651 1 38 ASP HA 1 41 ASN HB2 1.800 . 4.500 2.845 2.613 3.017 . 0 0 "[ . 1 . 2]" 1
652 1 38 ASP HA 1 41 ASN QB 1.800 . 3.000 2.807 2.583 2.972 . 0 0 "[ . 1 . 2]" 1
653 1 39 LEU HB3 1 42 GLY H 1.800 . 6.000 5.344 5.257 5.519 . 0 0 "[ . 1 . 2]" 1
654 1 39 LEU HB2 1 42 GLY H 1.800 . 6.000 5.497 5.425 5.621 . 0 0 "[ . 1 . 2]" 1
655 1 41 ASN HA 1 42 GLY H 1.800 . 4.000 3.539 3.525 3.553 . 0 0 "[ . 1 . 2]" 1
656 1 41 ASN HB3 1 42 GLY H 1.800 . 5.000 3.375 3.308 3.432 . 0 0 "[ . 1 . 2]" 1
657 1 41 ASN HB2 1 42 GLY H 1.800 . 5.000 2.934 2.855 3.013 . 0 0 "[ . 1 . 2]" 1
658 1 42 GLY H 1 42 GLY HA3 1.800 . 3.000 2.936 2.929 2.952 . 0 0 "[ . 1 . 2]" 1
659 1 42 GLY H 1 42 GLY HA2 1.800 . 3.000 2.602 2.559 2.624 . 0 0 "[ . 1 . 2]" 1
660 1 42 GLY H 1 43 GLU HA 1.800 . 5.500 4.607 4.587 4.629 . 0 0 "[ . 1 . 2]" 1
661 1 42 GLY H 1 43 GLU HB3 1.800 . 6.000 5.309 5.268 5.334 . 0 0 "[ . 1 . 2]" 1
662 1 42 GLY H 1 43 GLU HB2 1.800 . 6.000 3.859 3.812 3.893 . 0 0 "[ . 1 . 2]" 1
663 1 42 GLY H 1 43 GLU QB 1.800 . 5.500 3.772 3.728 3.803 . 0 0 "[ . 1 . 2]" 1
664 1 42 GLY H 1 43 GLU QG 1.800 . 5.000 4.322 4.261 4.394 . 0 0 "[ . 1 . 2]" 1
665 1 42 GLY H 1 43 GLU H 1.800 . 3.000 1.967 1.890 2.002 . 0 0 "[ . 1 . 2]" 1
666 1 42 GLY H 1 44 ASP H 1.800 . 5.000 5.054 5.035 5.078 0.078 6 0 "[ . 1 . 2]" 1
667 1 42 GLY HA3 1 61 LYS QD 1.800 . 5.500 5.455 5.244 5.539 0.039 16 0 "[ . 1 . 2]" 1
668 1 42 GLY HA2 1 61 LYS QD 1.800 . 5.500 4.272 3.976 4.514 . 0 0 "[ . 1 . 2]" 1
669 1 42 GLY QA 1 61 LYS QD 1.800 . 5.000 4.125 3.862 4.320 . 0 0 "[ . 1 . 2]" 1
670 1 42 GLY HA3 1 61 LYS QE 1.800 . 5.500 4.793 3.560 5.541 0.041 17 0 "[ . 1 . 2]" 1
671 1 42 GLY HA2 1 61 LYS QE 1.800 . 5.500 3.579 2.513 4.442 . 0 0 "[ . 1 . 2]" 1
672 1 40 GLU H 1 43 GLU H 1.800 . 5.500 5.446 5.314 5.505 0.005 15 0 "[ . 1 . 2]" 1
673 1 41 ASN QB 1 43 GLU H 1.800 . 4.500 3.044 2.998 3.087 . 0 0 "[ . 1 . 2]" 1
674 1 42 GLY HA3 1 43 GLU H 1.800 . 4.000 3.171 3.109 3.292 . 0 0 "[ . 1 . 2]" 1
675 1 42 GLY HA2 1 43 GLU H 1.800 . 4.000 3.410 3.320 3.448 . 0 0 "[ . 1 . 2]" 1
676 1 42 GLY QA 1 43 GLU H 1.800 . 3.000 2.916 2.894 2.947 . 0 0 "[ . 1 . 2]" 1
677 1 43 GLU H 1 43 GLU HB3 1.800 . 4.000 3.541 3.513 3.562 . 0 0 "[ . 1 . 2]" 1
678 1 43 GLU H 1 43 GLU HB2 1.800 . 4.000 2.278 2.222 2.325 . 0 0 "[ . 1 . 2]" 1
679 1 43 GLU H 1 43 GLU QB 1.800 . 3.000 2.252 2.199 2.296 . 0 0 "[ . 1 . 2]" 1
680 1 43 GLU H 1 43 GLU QG 1.800 . 3.000 2.675 2.539 2.818 . 0 0 "[ . 1 . 2]" 1
681 1 34 ILE MD 1 43 GLU HA 1.800 . 6.000 4.492 4.399 4.663 . 0 0 "[ . 1 . 2]" 1
682 1 43 GLU HA 1 44 ASP QB 1.800 . 6.000 4.784 4.605 4.835 . 0 0 "[ . 1 . 2]" 1
683 1 43 GLU HA 1 45 VAL QG 1.800 . 5.500 3.244 2.911 3.357 . 0 0 "[ . 1 . 2]" 1
684 1 34 ILE MD 1 43 GLU HB3 1.800 . 5.000 3.355 3.102 3.608 . 0 0 "[ . 1 . 2]" 1
685 1 34 ILE MD 1 43 GLU HB2 1.800 . 5.000 4.057 3.947 4.191 . 0 0 "[ . 1 . 2]" 1
686 1 34 ILE MD 1 43 GLU QB 1.800 . 4.500 3.200 2.998 3.343 . 0 0 "[ . 1 . 2]" 1
687 1 34 ILE MD 1 43 GLU QG 1.800 . 5.000 4.977 4.816 5.042 0.042 15 0 "[ . 1 . 2]" 1
688 1 41 ASN HB3 1 43 GLU QG 1.800 . 4.000 3.906 3.866 3.955 . 0 0 "[ . 1 . 2]" 1
689 1 41 ASN HB2 1 43 GLU QG 1.800 . 4.000 3.980 3.927 4.008 0.008 16 0 "[ . 1 . 2]" 1
690 1 41 ASN QB 1 43 GLU QG 1.800 . 3.500 3.511 3.499 3.522 0.022 10 0 "[ . 1 . 2]" 1
691 1 43 GLU QG 1 45 VAL QG 1.800 . 6.000 3.935 3.553 4.166 . 0 0 "[ . 1 . 2]" 1
692 1 43 GLU QG 1 45 VAL H 1.800 . 5.500 4.965 4.730 5.121 . 0 0 "[ . 1 . 2]" 1
693 1 34 ILE MD 1 44 ASP H 1.800 . 5.500 4.128 4.065 4.290 . 0 0 "[ . 1 . 2]" 1
694 1 38 ASP QB 1 44 ASP H 1.800 . 5.000 5.036 5.022 5.057 0.057 6 0 "[ . 1 . 2]" 1
695 1 43 GLU HA 1 44 ASP H 1.800 . 3.000 2.316 2.291 2.343 . 0 0 "[ . 1 . 2]" 1
696 1 43 GLU HB3 1 44 ASP H 1.800 . 5.000 4.134 4.106 4.175 . 0 0 "[ . 1 . 2]" 1
697 1 43 GLU HB2 1 44 ASP H 1.800 . 5.000 4.543 4.523 4.561 . 0 0 "[ . 1 . 2]" 1
698 1 43 GLU QB 1 44 ASP H 1.800 . 4.000 3.835 3.813 3.862 . 0 0 "[ . 1 . 2]" 1
699 1 43 GLU H 1 44 ASP H 1.800 . 5.000 3.963 3.878 3.989 . 0 0 "[ . 1 . 2]" 1
700 1 44 ASP H 1 45 VAL MG1 1.800 . 5.000 3.836 3.618 4.564 . 0 0 "[ . 1 . 2]" 1
701 1 44 ASP H 1 45 VAL H 1.800 . 3.000 3.045 3.019 3.067 0.067 6 0 "[ . 1 . 2]" 1
702 1 34 ILE MD 1 44 ASP HA 1.800 . 3.500 2.253 2.126 2.494 . 0 0 "[ . 1 . 2]" 1
703 1 39 LEU MD2 1 44 ASP HA 1.800 . 3.500 2.345 2.166 2.681 . 0 0 "[ . 1 . 2]" 1
704 1 39 LEU HG 1 44 ASP HA 1.800 . 5.000 4.401 4.094 5.023 0.023 2 0 "[ . 1 . 2]" 1
705 1 44 ASP HA 1 45 VAL HA 1.800 . 6.000 4.429 4.406 4.495 . 0 0 "[ . 1 . 2]" 1
706 1 44 ASP HA 1 56 LYS QD 1.800 . 6.000 4.657 4.176 5.328 . 0 0 "[ . 1 . 2]" 1
707 1 44 ASP HA 1 57 VAL HB 1.800 . 3.000 3.037 3.020 3.050 0.050 1 0 "[ . 1 . 2]" 1
708 1 44 ASP HA 1 57 VAL QG 1.800 . 4.500 2.587 2.426 2.832 . 0 0 "[ . 1 . 2]" 1
709 1 44 ASP HA 1 57 VAL H 1.800 . 4.000 3.725 3.630 3.907 . 0 0 "[ . 1 . 2]" 1
710 1 44 ASP HB3 1 56 LYS QG 1.800 . 6.000 4.810 3.262 5.557 . 0 0 "[ . 1 . 2]" 1
711 1 44 ASP HB2 1 56 LYS QG 1.800 . 6.000 3.639 3.072 4.244 . 0 0 "[ . 1 . 2]" 1
712 1 44 ASP QB 1 57 VAL HB 1.800 . 5.500 2.970 2.899 3.052 . 0 0 "[ . 1 . 2]" 1
713 1 34 ILE HB 1 45 VAL H 1.800 . 5.000 5.012 4.985 5.048 0.048 18 0 "[ . 1 . 2]" 1
714 1 34 ILE MD 1 45 VAL H 1.800 . 3.000 2.334 2.211 2.656 . 0 0 "[ . 1 . 2]" 1
715 1 38 ASP QB 1 45 VAL H 1.800 . 5.000 4.276 4.180 4.341 . 0 0 "[ . 1 . 2]" 1
716 1 39 LEU QD 1 45 VAL H 1.800 . 6.000 4.330 3.977 4.702 . 0 0 "[ . 1 . 2]" 1
717 1 43 GLU HA 1 45 VAL H 1.800 . 4.500 3.520 3.444 3.568 . 0 0 "[ . 1 . 2]" 1
718 1 43 GLU H 1 45 VAL H 1.800 . 5.500 5.471 5.356 5.507 0.007 7 0 "[ . 1 . 2]" 1
719 1 44 ASP HA 1 45 VAL H 1.800 . 4.000 2.810 2.761 2.905 . 0 0 "[ . 1 . 2]" 1
720 1 44 ASP QB 1 45 VAL H 1.800 . 5.000 4.012 3.840 4.048 . 0 0 "[ . 1 . 2]" 1
721 1 45 VAL H 1 45 VAL HB 1.800 . 3.500 3.205 3.115 3.523 0.023 8 0 "[ . 1 . 2]" 1
722 1 45 VAL H 1 45 VAL QG 1.800 . 3.500 2.027 1.985 2.118 . 0 0 "[ . 1 . 2]" 1
723 1 45 VAL H 1 46 ALA MB 1.800 . 6.000 4.971 4.871 5.025 . 0 0 "[ . 1 . 2]" 1
724 1 45 VAL H 1 46 ALA H 1.800 . 5.000 4.355 4.309 4.403 . 0 0 "[ . 1 . 2]" 1
725 1 45 VAL H 1 57 VAL H 1.800 . 5.500 4.784 4.734 4.833 . 0 0 "[ . 1 . 2]" 1
726 1 45 VAL HA 1 57 VAL HB 1.800 . 5.500 5.430 5.168 5.502 0.002 2 0 "[ . 1 . 2]" 1
727 1 45 VAL HA 1 57 VAL QG 1.800 . 4.500 2.929 2.659 3.025 . 0 0 "[ . 1 . 2]" 1
728 1 45 VAL HB 1 54 ILE MD 1.800 . 6.000 5.546 5.187 5.810 . 0 0 "[ . 1 . 2]" 1
729 1 43 GLU QB 1 45 VAL QG 1.800 . 6.000 3.076 3.006 3.184 . 0 0 "[ . 1 . 2]" 1
730 1 44 ASP QB 1 45 VAL QG 1.800 . 6.000 4.655 4.048 4.798 . 0 0 "[ . 1 . 2]" 1
731 1 45 VAL MG1 1 46 ALA H 1.800 . 5.000 3.870 3.129 4.027 . 0 0 "[ . 1 . 2]" 1
732 1 45 VAL MG2 1 46 ALA H 1.800 . 5.000 2.649 2.293 4.357 . 0 0 "[ . 1 . 2]" 1
733 1 45 VAL QG 1 46 ALA H 1.800 . 4.000 2.501 2.279 3.077 . 0 0 "[ . 1 . 2]" 1
734 1 45 VAL QG 1 56 LYS HA 1.800 . 4.500 3.914 3.166 4.156 . 0 0 "[ . 1 . 2]" 1
735 1 45 VAL QG 1 56 LYS QE 1.800 . 5.500 5.345 4.595 5.555 0.055 12 0 "[ . 1 . 2]" 1
736 1 45 VAL MG1 1 57 VAL H 1.800 . 6.000 5.608 4.318 5.792 . 0 0 "[ . 1 . 2]" 1
737 1 45 VAL MG2 1 57 VAL H 1.800 . 6.000 5.287 5.094 5.424 . 0 0 "[ . 1 . 2]" 1
738 1 45 VAL QG 1 47 THR HA 1.800 . 5.500 4.279 4.054 5.449 . 0 0 "[ . 1 . 2]" 1
739 1 45 VAL QG 1 54 ILE HA 1.800 . 4.000 3.191 3.053 3.982 . 0 0 "[ . 1 . 2]" 1
740 1 45 VAL QG 1 54 ILE HB 1.800 . 3.000 2.509 2.342 2.860 . 0 0 "[ . 1 . 2]" 1
741 1 45 VAL QG 1 54 ILE QG 1.800 . 5.000 4.130 3.987 4.473 . 0 0 "[ . 1 . 2]" 1
742 1 45 VAL QG 1 54 ILE MD 1.800 . 4.500 3.591 3.251 3.784 . 0 0 "[ . 1 . 2]" 1
743 1 45 VAL QG 1 55 ILE QG 1.800 . 5.500 3.751 3.503 4.243 . 0 0 "[ . 1 . 2]" 1
744 1 32 PHE QB 1 46 ALA H 1.800 . 6.000 4.900 4.651 5.097 . 0 0 "[ . 1 . 2]" 1
745 1 34 ILE HB 1 46 ALA H 1.800 . 5.500 4.759 4.461 5.118 . 0 0 "[ . 1 . 2]" 1
746 1 34 ILE MD 1 46 ALA H 1.800 . 5.500 3.951 3.589 4.616 . 0 0 "[ . 1 . 2]" 1
747 1 45 VAL HA 1 46 ALA H 1.800 . 3.000 2.164 2.143 2.198 . 0 0 "[ . 1 . 2]" 1
748 1 45 VAL HB 1 46 ALA H 1.800 . 4.500 4.059 3.275 4.186 . 0 0 "[ . 1 . 2]" 1
749 1 46 ALA H 1 46 ALA MB 1.800 . 3.500 2.407 2.365 2.443 . 0 0 "[ . 1 . 2]" 1
750 1 46 ALA H 1 47 THR H 1.800 . 5.500 4.436 4.386 4.485 . 0 0 "[ . 1 . 2]" 1
751 1 46 ALA H 1 54 ILE HA 1.800 . 5.000 4.131 4.031 4.374 . 0 0 "[ . 1 . 2]" 1
752 1 46 ALA H 1 54 ILE HB 1.800 . 5.000 4.736 4.476 4.965 . 0 0 "[ . 1 . 2]" 1
753 1 46 ALA H 1 55 ILE HG13 1.800 . 4.000 2.231 2.090 2.393 . 0 0 "[ . 1 . 2]" 1
754 1 46 ALA H 1 55 ILE HG12 1.800 . 4.000 3.479 3.226 3.655 . 0 0 "[ . 1 . 2]" 1
755 1 46 ALA H 1 55 ILE QG 1.800 . 3.500 2.204 2.065 2.339 . 0 0 "[ . 1 . 2]" 1
756 1 46 ALA H 1 56 LYS HA 1.800 . 5.000 4.221 4.137 4.280 . 0 0 "[ . 1 . 2]" 1
757 1 46 ALA H 1 57 VAL QG 1.800 . 4.500 3.282 3.157 3.375 . 0 0 "[ . 1 . 2]" 1
758 1 46 ALA H 1 57 VAL H 1.800 . 5.000 4.940 4.817 5.005 0.005 14 0 "[ . 1 . 2]" 1
759 1 34 ILE QG 1 46 ALA HA 1.800 . 5.000 4.499 4.229 4.676 . 0 0 "[ . 1 . 2]" 1
760 1 34 ILE MD 1 46 ALA HA 1.800 . 4.500 3.538 3.220 4.116 . 0 0 "[ . 1 . 2]" 1
761 1 45 VAL QG 1 46 ALA HA 1.800 . 5.000 3.563 3.417 4.423 . 0 0 "[ . 1 . 2]" 1
762 1 46 ALA HA 1 47 THR HA 1.800 . 6.000 4.395 4.387 4.408 . 0 0 "[ . 1 . 2]" 1
763 1 46 ALA HA 1 55 ILE QG 1.800 . 5.500 3.971 3.904 4.050 . 0 0 "[ . 1 . 2]" 1
764 1 46 ALA HA 1 57 VAL QG 1.800 . 6.000 4.171 4.077 4.273 . 0 0 "[ . 1 . 2]" 1
765 1 34 ILE MG 1 46 ALA MB 1.800 . 4.000 3.072 2.835 3.270 . 0 0 "[ . 1 . 2]" 1
766 1 46 ALA MB 1 55 ILE QG 1.800 . 3.500 1.961 1.860 2.068 . 0 0 "[ . 1 . 2]" 1
767 1 46 ALA MB 1 57 VAL QG 1.800 . 4.500 2.628 2.523 2.729 . 0 0 "[ . 1 . 2]" 1
768 1 32 PHE HA 1 47 THR H 1.800 . 5.500 4.730 4.357 5.037 . 0 0 "[ . 1 . 2]" 1
769 1 32 PHE QB 1 47 THR H 1.800 . 5.500 4.308 3.912 4.590 . 0 0 "[ . 1 . 2]" 1
770 1 33 SER HA 1 47 THR H 1.800 . 6.000 5.822 5.440 6.014 0.014 6 0 "[ . 1 . 2]" 1
771 1 34 ILE HB 1 47 THR H 1.800 . 5.000 4.853 4.732 4.924 . 0 0 "[ . 1 . 2]" 1
772 1 34 ILE MD 1 47 THR H 1.800 . 6.000 5.311 5.050 5.904 . 0 0 "[ . 1 . 2]" 1
773 1 46 ALA HA 1 47 THR H 1.800 . 3.000 2.184 2.153 2.220 . 0 0 "[ . 1 . 2]" 1
774 1 46 ALA MB 1 47 THR H 1.800 . 4.000 3.031 2.916 3.139 . 0 0 "[ . 1 . 2]" 1
775 1 47 THR H 1 47 THR HB 1.800 . 3.500 2.784 2.664 2.989 . 0 0 "[ . 1 . 2]" 1
776 1 47 THR H 1 48 CYS H 1.800 . 5.500 4.406 4.361 4.458 . 0 0 "[ . 1 . 2]" 1
777 1 47 THR H 1 54 ILE HA 1.800 . 5.500 5.260 5.100 5.351 . 0 0 "[ . 1 . 2]" 1
778 1 47 THR H 1 54 ILE MG 1.800 . 5.500 5.411 5.216 5.511 0.011 8 0 "[ . 1 . 2]" 1
779 1 47 THR HA 1 54 ILE HA 1.800 . 3.500 3.216 3.092 3.278 . 0 0 "[ . 1 . 2]" 1
780 1 47 THR HA 1 54 ILE HB 1.800 . 5.500 5.484 5.329 5.512 0.012 20 0 "[ . 1 . 2]" 1
781 1 47 THR HA 1 54 ILE MG 1.800 . 4.000 3.677 3.499 3.826 . 0 0 "[ . 1 . 2]" 1
782 1 47 THR HB 1 54 ILE HA 1.800 . 6.000 5.860 5.695 5.997 . 0 0 "[ . 1 . 2]" 1
783 1 47 THR HB 1 54 ILE MG 1.800 . 5.500 5.167 4.957 5.354 . 0 0 "[ . 1 . 2]" 1
784 1 47 THR MG 1 52 SER HA 1.800 . 3.000 2.556 1.933 2.957 . 0 0 "[ . 1 . 2]" 1
785 1 47 THR MG 1 54 ILE HA 1.800 . 6.000 4.081 3.739 4.342 . 0 0 "[ . 1 . 2]" 1
786 1 32 PHE HA 1 48 CYS H 1.800 . 5.000 4.498 3.825 4.856 . 0 0 "[ . 1 . 2]" 1
787 1 47 THR HA 1 48 CYS H 1.800 . 3.000 2.162 2.143 2.178 . 0 0 "[ . 1 . 2]" 1
788 1 47 THR HB 1 48 CYS H 1.800 . 4.500 3.994 3.842 4.155 . 0 0 "[ . 1 . 2]" 1
789 1 47 THR MG 1 48 CYS H 1.800 . 3.500 2.520 2.370 2.840 . 0 0 "[ . 1 . 2]" 1
790 1 48 CYS H 1 48 CYS HB3 1.800 . 3.000 2.695 2.472 3.038 0.038 12 0 "[ . 1 . 2]" 1
791 1 48 CYS H 1 48 CYS HB2 1.800 . 3.000 2.549 2.163 2.740 . 0 0 "[ . 1 . 2]" 1
792 1 48 CYS H 1 50 SER H 1.800 . 5.500 5.017 4.768 5.182 . 0 0 "[ . 1 . 2]" 1
793 1 48 CYS H 1 52 SER HA 1.800 . 5.000 3.288 2.958 3.643 . 0 0 "[ . 1 . 2]" 1
794 1 48 CYS H 1 52 SER H 1.800 . 5.500 3.825 3.689 4.020 . 0 0 "[ . 1 . 2]" 1
795 1 48 CYS H 1 53 LEU QB 1.800 . 5.500 3.914 3.245 4.145 . 0 0 "[ . 1 . 2]" 1
796 1 48 CYS H 1 54 ILE HA 1.800 . 5.500 4.551 4.477 4.632 . 0 0 "[ . 1 . 2]" 1
797 1 48 CYS H 1 54 ILE MG 1.800 . 5.500 4.929 4.777 5.037 . 0 0 "[ . 1 . 2]" 1
798 1 32 PHE QB 1 48 CYS HA 1.800 . 5.000 4.681 4.129 4.913 . 0 0 "[ . 1 . 2]" 1
799 1 32 PHE H 1 48 CYS HA 1.800 . 6.000 5.008 4.046 5.284 . 0 0 "[ . 1 . 2]" 1
800 1 47 THR MG 1 48 CYS HA 1.800 . 6.000 4.330 4.136 4.580 . 0 0 "[ . 1 . 2]" 1
801 1 48 CYS HB3 1 53 LEU H 1.800 . 4.500 2.632 2.301 3.009 . 0 0 "[ . 1 . 2]" 1
802 1 48 CYS HB2 1 53 LEU H 1.800 . 4.500 3.436 2.538 4.028 . 0 0 "[ . 1 . 2]" 1
803 1 48 CYS QB 1 53 LEU H 1.800 . 4.000 2.500 2.262 2.673 . 0 0 "[ . 1 . 2]" 1
804 1 47 THR MG 1 49 PRO HA 1.800 . 5.500 4.435 3.985 4.931 . 0 0 "[ . 1 . 2]" 1
805 1 48 CYS HA 1 49 PRO HA 1.800 . 5.500 4.464 4.431 4.522 . 0 0 "[ . 1 . 2]" 1
806 1 49 PRO HA 1 50 SER H 1.800 . 5.500 3.292 2.713 3.495 . 0 0 "[ . 1 . 2]" 1
807 1 48 CYS HA 1 49 PRO HG3 1.800 . 5.000 4.316 4.187 4.398 . 0 0 "[ . 1 . 2]" 1
808 1 48 CYS HA 1 49 PRO HG2 1.800 . 5.000 4.441 4.365 4.542 . 0 0 "[ . 1 . 2]" 1
809 1 48 CYS HA 1 49 PRO HD3 1.800 . 3.000 2.126 1.985 2.294 . 0 0 "[ . 1 . 2]" 1
810 1 48 CYS HA 1 49 PRO HD2 1.800 . 3.000 2.386 2.209 2.551 . 0 0 "[ . 1 . 2]" 1
811 1 30 ASP HB3 1 50 SER H 1.800 . 4.500 3.966 3.473 4.535 0.035 11 0 "[ . 1 . 2]" 1
812 1 30 ASP HB2 1 50 SER H 1.800 . 4.500 4.142 3.452 4.538 0.038 10 0 "[ . 1 . 2]" 1
813 1 30 ASP QB 1 50 SER H 1.800 . 4.000 3.594 3.170 4.007 0.007 4 0 "[ . 1 . 2]" 1
814 1 48 CYS HA 1 50 SER H 1.800 . 5.000 3.849 3.659 4.385 . 0 0 "[ . 1 . 2]" 1
815 1 49 PRO HD3 1 50 SER H 1.800 . 5.000 4.106 3.943 4.738 . 0 0 "[ . 1 . 2]" 1
816 1 49 PRO HD2 1 50 SER H 1.800 . 5.000 3.049 2.770 4.113 . 0 0 "[ . 1 . 2]" 1
817 1 49 PRO QD 1 50 SER H 1.800 . 4.500 2.964 2.719 3.876 . 0 0 "[ . 1 . 2]" 1
818 1 50 SER H 1 51 CYS HA 1.800 . 6.000 4.971 4.468 5.314 . 0 0 "[ . 1 . 2]" 1
819 1 50 SER H 1 51 CYS QB 1.800 . 6.000 4.947 4.709 5.288 . 0 0 "[ . 1 . 2]" 1
820 1 50 SER H 1 51 CYS H 1.800 . 3.000 2.573 2.262 2.911 . 0 0 "[ . 1 . 2]" 1
821 1 50 SER H 1 52 SER H 1.800 . 4.500 3.016 2.448 3.445 . 0 0 "[ . 1 . 2]" 1
822 1 30 ASP QB 1 50 SER HA 1.800 . 5.000 4.597 4.202 5.020 0.020 12 0 "[ . 1 . 2]" 1
823 1 50 SER H 1 50 SER HB3 1.800 . 4.000 3.216 2.465 3.705 . 0 0 "[ . 1 . 2]" 1
824 1 50 SER H 1 50 SER HB2 1.800 . 4.000 2.692 2.181 3.714 . 0 0 "[ . 1 . 2]" 1
825 1 48 CYS HA 1 51 CYS H 1.800 . 5.500 5.168 4.868 5.362 . 0 0 "[ . 1 . 2]" 1
826 1 48 CYS HB3 1 51 CYS H 1.800 . 5.000 2.867 2.554 3.175 . 0 0 "[ . 1 . 2]" 1
827 1 48 CYS HB2 1 51 CYS H 1.800 . 5.000 4.339 4.106 4.600 . 0 0 "[ . 1 . 2]" 1
828 1 48 CYS QB 1 51 CYS H 1.800 . 4.000 2.828 2.530 3.121 . 0 0 "[ . 1 . 2]" 1
829 1 48 CYS H 1 51 CYS H 1.800 . 5.500 5.365 5.030 5.481 . 0 0 "[ . 1 . 2]" 1
830 1 50 SER HA 1 51 CYS H 1.800 . 4.000 3.580 3.570 3.590 . 0 0 "[ . 1 . 2]" 1
831 1 50 SER QB 1 51 CYS H 1.800 . 4.000 2.217 2.071 2.920 . 0 0 "[ . 1 . 2]" 1
832 1 51 CYS H 1 52 SER HA 1.800 . 5.000 4.676 4.424 4.807 . 0 0 "[ . 1 . 2]" 1
833 1 51 CYS H 1 52 SER QB 1.800 . 5.500 4.971 4.555 5.369 . 0 0 "[ . 1 . 2]" 1
834 1 51 CYS H 1 52 SER H 1.800 . 3.000 2.419 2.168 2.548 . 0 0 "[ . 1 . 2]" 1
835 1 47 THR HA 1 52 SER H 1.800 . 6.000 5.750 5.523 5.869 . 0 0 "[ . 1 . 2]" 1
836 1 47 THR MG 1 52 SER H 1.800 . 5.000 4.236 3.672 4.648 . 0 0 "[ . 1 . 2]" 1
837 1 48 CYS QB 1 52 SER H 1.800 . 4.500 2.390 2.002 2.677 . 0 0 "[ . 1 . 2]" 1
838 1 50 SER QB 1 52 SER H 1.800 . 5.500 4.149 3.994 4.745 . 0 0 "[ . 1 . 2]" 1
839 1 51 CYS HA 1 52 SER H 1.800 . 4.000 3.473 3.450 3.491 . 0 0 "[ . 1 . 2]" 1
840 1 51 CYS HB3 1 52 SER H 1.800 . 4.500 4.137 4.080 4.194 . 0 0 "[ . 1 . 2]" 1
841 1 51 CYS HB2 1 52 SER H 1.800 . 4.500 4.024 3.931 4.121 . 0 0 "[ . 1 . 2]" 1
842 1 52 SER H 1 52 SER HA 1.800 . 3.000 2.270 2.266 2.275 . 0 0 "[ . 1 . 2]" 1
843 1 52 SER H 1 52 SER QB 1.800 . 3.500 3.200 2.974 3.463 . 0 0 "[ . 1 . 2]" 1
844 1 52 SER H 1 53 LEU QD 1.800 . 6.000 4.585 3.677 5.429 . 0 0 "[ . 1 . 2]" 1
845 1 52 SER H 1 53 LEU H 1.800 . 3.500 2.608 2.523 2.677 . 0 0 "[ . 1 . 2]" 1
846 1 47 THR MG 1 52 SER HB3 1.800 . 5.000 4.042 3.130 4.647 . 0 0 "[ . 1 . 2]" 1
847 1 47 THR MG 1 52 SER HB2 1.800 . 5.000 4.600 3.790 5.015 0.015 9 0 "[ . 1 . 2]" 1
848 1 47 THR MG 1 52 SER QB 1.800 . 4.000 3.749 3.058 4.022 0.022 19 0 "[ . 1 . 2]" 1
849 1 52 SER HB3 1 53 LEU H 1.800 . 5.500 4.368 4.215 4.579 . 0 0 "[ . 1 . 2]" 1
850 1 52 SER HB2 1 53 LEU H 1.800 . 5.500 4.409 4.203 4.609 . 0 0 "[ . 1 . 2]" 1
851 1 47 THR HA 1 53 LEU H 1.800 . 5.500 4.339 4.039 4.496 . 0 0 "[ . 1 . 2]" 1
852 1 48 CYS HA 1 53 LEU H 1.800 . 5.500 4.974 4.728 5.188 . 0 0 "[ . 1 . 2]" 1
853 1 48 CYS H 1 53 LEU H 1.800 . 4.500 2.826 2.538 3.063 . 0 0 "[ . 1 . 2]" 1
854 1 50 SER H 1 53 LEU H 1.800 . 5.500 5.163 4.667 5.504 0.004 3 0 "[ . 1 . 2]" 1
855 1 51 CYS HA 1 53 LEU H 1.800 . 5.000 4.927 4.860 5.004 0.004 3 0 "[ . 1 . 2]" 1
856 1 51 CYS QB 1 53 LEU H 1.800 . 5.000 3.851 3.736 3.981 . 0 0 "[ . 1 . 2]" 1
857 1 53 LEU H 1 53 LEU MD1 1.800 . 5.000 3.500 2.653 4.134 . 0 0 "[ . 1 . 2]" 1
858 1 53 LEU H 1 53 LEU MD2 1.800 . 5.000 4.228 4.037 4.371 . 0 0 "[ . 1 . 2]" 1
859 1 53 LEU H 1 53 LEU QD 1.800 . 4.500 3.305 2.630 3.721 . 0 0 "[ . 1 . 2]" 1
860 1 53 LEU H 1 54 ILE HA 1.800 . 6.000 5.180 5.095 5.300 . 0 0 "[ . 1 . 2]" 1
861 1 53 LEU H 1 54 ILE H 1.800 . 5.000 4.511 4.461 4.605 . 0 0 "[ . 1 . 2]" 1
862 1 5 HIS QB 1 53 LEU HA 1.800 . 6.000 5.227 5.006 5.506 . 0 0 "[ . 1 . 2]" 1
863 1 53 LEU HA 1 54 ILE QG 1.800 . 4.500 3.621 3.471 3.848 . 0 0 "[ . 1 . 2]" 1
864 1 53 LEU H 1 53 LEU HB3 1.800 . 4.000 3.314 2.441 3.544 . 0 0 "[ . 1 . 2]" 1
865 1 53 LEU H 1 53 LEU HB2 1.800 . 4.000 2.276 2.076 2.665 . 0 0 "[ . 1 . 2]" 1
866 1 53 LEU H 1 53 LEU QB 1.800 . 3.000 2.205 2.054 2.325 . 0 0 "[ . 1 . 2]" 1
867 1 53 LEU QD 1 54 ILE HA 1.800 . 6.000 4.842 4.322 5.179 . 0 0 "[ . 1 . 2]" 1
868 1 53 LEU MD1 1 54 ILE H 1.800 . 5.500 3.844 2.056 4.328 . 0 0 "[ . 1 . 2]" 1
869 1 53 LEU MD2 1 54 ILE H 1.800 . 5.500 3.017 2.199 3.795 . 0 0 "[ . 1 . 2]" 1
870 1 53 LEU QD 1 54 ILE H 1.800 . 4.000 2.698 2.047 3.425 . 0 0 "[ . 1 . 2]" 1
871 1 53 LEU MD1 1 55 ILE MG 1.800 . 6.000 4.685 3.930 5.595 . 0 0 "[ . 1 . 2]" 1
872 1 53 LEU MD2 1 55 ILE MG 1.800 . 6.000 4.094 2.788 4.790 . 0 0 "[ . 1 . 2]" 1
873 1 4 PHE HA 1 54 ILE H 1.800 . 5.000 4.711 4.352 5.007 0.007 16 0 "[ . 1 . 2]" 1
874 1 5 HIS HB3 1 54 ILE H 1.800 . 5.500 4.661 4.260 5.384 . 0 0 "[ . 1 . 2]" 1
875 1 5 HIS HB2 1 54 ILE H 1.800 . 5.500 3.433 3.105 4.036 . 0 0 "[ . 1 . 2]" 1
876 1 47 THR HA 1 54 ILE H 1.800 . 5.500 5.244 4.851 5.377 . 0 0 "[ . 1 . 2]" 1
877 1 53 LEU HA 1 54 ILE H 1.800 . 3.000 2.580 2.368 2.673 . 0 0 "[ . 1 . 2]" 1
878 1 53 LEU HB3 1 54 ILE H 1.800 . 4.500 2.332 2.040 3.720 . 0 0 "[ . 1 . 2]" 1
879 1 53 LEU HB2 1 54 ILE H 1.800 . 4.500 3.646 3.511 3.943 . 0 0 "[ . 1 . 2]" 1
880 1 54 ILE H 1 54 ILE MD 1.800 . 5.000 3.850 3.718 3.951 . 0 0 "[ . 1 . 2]" 1
881 1 54 ILE H 1 54 ILE HG13 1.800 . 4.000 2.817 2.595 2.956 . 0 0 "[ . 1 . 2]" 1
882 1 54 ILE H 1 54 ILE HG12 1.800 . 4.000 2.222 2.024 2.354 . 0 0 "[ . 1 . 2]" 1
883 1 54 ILE H 1 54 ILE QG 1.800 . 3.500 2.138 1.979 2.259 . 0 0 "[ . 1 . 2]" 1
884 1 54 ILE H 1 55 ILE HA 1.800 . 5.500 4.989 4.949 5.110 . 0 0 "[ . 1 . 2]" 1
885 1 54 ILE H 1 55 ILE MG 1.800 . 5.500 3.863 3.676 4.064 . 0 0 "[ . 1 . 2]" 1
886 1 54 ILE H 1 55 ILE H 1.800 . 5.000 4.429 4.381 4.499 . 0 0 "[ . 1 . 2]" 1
887 1 45 VAL HB 1 54 ILE HA 1.800 . 6.000 5.903 4.898 6.032 0.032 17 0 "[ . 1 . 2]" 1
888 1 46 ALA MB 1 54 ILE HA 1.800 . 5.000 4.626 4.487 4.820 . 0 0 "[ . 1 . 2]" 1
889 1 54 ILE HA 1 55 ILE QG 1.800 . 4.500 3.704 3.623 3.766 . 0 0 "[ . 1 . 2]" 1
890 1 54 ILE HB 1 55 ILE QG 1.800 . 6.000 4.918 4.864 4.978 . 0 0 "[ . 1 . 2]" 1
891 1 3 VAL HA 1 54 ILE MD 1.800 . 6.000 4.159 2.949 5.012 . 0 0 "[ . 1 . 2]" 1
892 1 45 VAL HA 1 54 ILE MG 1.800 . 6.000 5.363 5.081 5.585 . 0 0 "[ . 1 . 2]" 1
893 1 46 ALA H 1 54 ILE MG 1.800 . 5.500 4.880 4.584 5.033 . 0 0 "[ . 1 . 2]" 1
894 1 53 LEU HA 1 54 ILE MG 1.800 . 5.000 3.643 3.450 3.760 . 0 0 "[ . 1 . 2]" 1
895 1 4 PHE QB 1 55 ILE H 1.800 . 6.000 5.442 5.008 5.855 . 0 0 "[ . 1 . 2]" 1
896 1 46 ALA MB 1 55 ILE H 1.800 . 4.500 3.678 3.541 3.842 . 0 0 "[ . 1 . 2]" 1
897 1 46 ALA H 1 55 ILE H 1.800 . 3.500 2.507 2.427 2.711 . 0 0 "[ . 1 . 2]" 1
898 1 47 THR HA 1 55 ILE H 1.800 . 5.000 4.506 4.359 4.612 . 0 0 "[ . 1 . 2]" 1
899 1 54 ILE HA 1 55 ILE H 1.800 . 3.000 2.229 2.219 2.244 . 0 0 "[ . 1 . 2]" 1
900 1 54 ILE HB 1 55 ILE H 1.800 . 4.000 2.890 2.858 2.922 . 0 0 "[ . 1 . 2]" 1
901 1 54 ILE MD 1 55 ILE H 1.800 . 6.000 4.785 4.622 4.872 . 0 0 "[ . 1 . 2]" 1
902 1 54 ILE QG 1 55 ILE H 1.800 . 5.000 4.057 3.930 4.136 . 0 0 "[ . 1 . 2]" 1
903 1 55 ILE H 1 55 ILE HG13 1.800 . 3.000 2.561 2.442 2.794 . 0 0 "[ . 1 . 2]" 1
904 1 55 ILE H 1 55 ILE HG12 1.800 . 3.000 2.906 2.702 3.018 0.018 6 0 "[ . 1 . 2]" 1
905 1 55 ILE H 1 56 LYS H 1.800 . 5.500 4.368 4.337 4.437 . 0 0 "[ . 1 . 2]" 1
906 1 6 ASP QB 1 55 ILE MD 1.800 . 6.000 5.408 5.210 5.801 . 0 0 "[ . 1 . 2]" 1
907 1 24 TYR QB 1 55 ILE MD 1.800 . 5.000 2.456 2.038 2.721 . 0 0 "[ . 1 . 2]" 1
908 1 46 ALA H 1 55 ILE MD 1.800 . 5.000 3.620 3.415 3.863 . 0 0 "[ . 1 . 2]" 1
909 1 55 ILE MD 1 56 LYS H 1.800 . 5.500 4.296 3.913 4.467 . 0 0 "[ . 1 . 2]" 1
910 1 55 ILE MD 1 57 VAL QG 1.800 . 4.500 2.889 2.543 3.181 . 0 0 "[ . 1 . 2]" 1
911 1 6 ASP HB3 1 55 ILE MG 1.800 . 5.500 4.728 4.464 5.032 . 0 0 "[ . 1 . 2]" 1
912 1 6 ASP HB2 1 55 ILE MG 1.800 . 5.500 3.743 3.495 4.101 . 0 0 "[ . 1 . 2]" 1
913 1 6 ASP QB 1 55 ILE MG 1.800 . 4.500 3.607 3.389 3.929 . 0 0 "[ . 1 . 2]" 1
914 1 8 VAL H 1 55 ILE MG 1.800 . 6.000 5.639 5.376 5.896 . 0 0 "[ . 1 . 2]" 1
915 1 54 ILE HA 1 55 ILE MG 1.800 . 5.500 3.749 3.689 3.879 . 0 0 "[ . 1 . 2]" 1
916 1 55 ILE MG 1 56 LYS H 1.800 . 4.500 3.701 3.627 3.761 . 0 0 "[ . 1 . 2]" 1
917 1 4 PHE HA 1 56 LYS H 1.800 . 6.000 5.727 5.231 5.993 . 0 0 "[ . 1 . 2]" 1
918 1 4 PHE HB3 1 56 LYS H 1.800 . 5.500 3.833 3.542 4.118 . 0 0 "[ . 1 . 2]" 1
919 1 4 PHE HB2 1 56 LYS H 1.800 . 5.500 5.289 4.861 5.531 0.031 6 0 "[ . 1 . 2]" 1
920 1 4 PHE QB 1 56 LYS H 1.800 . 5.000 3.747 3.465 4.010 . 0 0 "[ . 1 . 2]" 1
921 1 5 HIS H 1 56 LYS H 1.800 . 5.500 4.554 4.114 5.014 . 0 0 "[ . 1 . 2]" 1
922 1 7 GLU QB 1 56 LYS H 1.800 . 5.500 4.463 4.220 4.884 . 0 0 "[ . 1 . 2]" 1
923 1 55 ILE HA 1 56 LYS H 1.800 . 3.000 2.260 2.218 2.371 . 0 0 "[ . 1 . 2]" 1
924 1 55 ILE HB 1 56 LYS H 1.800 . 3.000 2.796 2.469 2.914 . 0 0 "[ . 1 . 2]" 1
925 1 56 LYS H 1 56 LYS HB3 1.800 . 3.500 2.791 2.524 3.050 . 0 0 "[ . 1 . 2]" 1
926 1 56 LYS H 1 56 LYS HB2 1.800 . 3.500 2.528 2.315 2.772 . 0 0 "[ . 1 . 2]" 1
927 1 56 LYS H 1 56 LYS QB 1.800 . 3.000 2.308 2.248 2.369 . 0 0 "[ . 1 . 2]" 1
928 1 56 LYS H 1 56 LYS QG 1.800 . 4.500 3.982 3.855 4.065 . 0 0 "[ . 1 . 2]" 1
929 1 56 LYS H 1 57 VAL QG 1.800 . 6.000 4.463 4.401 4.548 . 0 0 "[ . 1 . 2]" 1
930 1 45 VAL HA 1 56 LYS HA 1.800 . 4.000 2.996 2.930 3.083 . 0 0 "[ . 1 . 2]" 1
931 1 56 LYS HA 1 57 VAL HB 1.800 . 5.500 5.027 4.998 5.041 . 0 0 "[ . 1 . 2]" 1
932 1 56 LYS HA 1 57 VAL MG1 1.800 . 5.000 5.158 5.146 5.167 0.167 6 0 "[ . 1 . 2]" 1
933 1 56 LYS HB3 1 57 VAL H 1.800 . 5.000 3.839 3.584 4.064 . 0 0 "[ . 1 . 2]" 1
934 1 56 LYS HB2 1 57 VAL H 1.800 . 5.000 4.245 4.116 4.358 . 0 0 "[ . 1 . 2]" 1
935 1 56 LYS HD3 1 57 VAL H 1.800 . 5.000 3.007 2.022 4.648 . 0 0 "[ . 1 . 2]" 1
936 1 56 LYS HD2 1 57 VAL H 1.800 . 5.000 3.198 2.768 4.080 . 0 0 "[ . 1 . 2]" 1
937 1 56 LYS HD3 1 58 ILE MD 1.800 . 4.500 3.704 2.352 4.489 . 0 0 "[ . 1 . 2]" 1
938 1 56 LYS HD2 1 58 ILE MD 1.800 . 4.500 2.905 1.842 4.393 . 0 0 "[ . 1 . 2]" 1
939 1 56 LYS QD 1 58 ILE MD 1.800 . 4.000 2.742 1.819 3.923 . 0 0 "[ . 1 . 2]" 1
940 1 44 ASP QB 1 56 LYS QE 1.800 . 4.500 3.241 1.933 4.452 . 0 0 "[ . 1 . 2]" 1
941 1 56 LYS QE 1 58 ILE MD 1.800 . 5.000 3.055 2.009 4.297 . 0 0 "[ . 1 . 2]" 1
942 1 44 ASP HB3 1 57 VAL H 1.800 . 5.000 3.833 2.359 4.391 . 0 0 "[ . 1 . 2]" 1
943 1 44 ASP HB2 1 57 VAL H 1.800 . 5.000 2.526 2.167 3.513 . 0 0 "[ . 1 . 2]" 1
944 1 44 ASP QB 1 57 VAL H 1.800 . 4.000 2.366 2.156 2.652 . 0 0 "[ . 1 . 2]" 1
945 1 45 VAL HA 1 57 VAL H 1.800 . 4.000 3.674 3.493 3.737 . 0 0 "[ . 1 . 2]" 1
946 1 56 LYS HA 1 57 VAL H 1.800 . 3.000 2.118 2.103 2.130 . 0 0 "[ . 1 . 2]" 1
947 1 56 LYS QE 1 57 VAL H 1.800 . 5.500 4.149 3.019 4.872 . 0 0 "[ . 1 . 2]" 1
948 1 56 LYS QG 1 57 VAL H 1.800 . 3.500 2.925 2.289 3.494 . 0 0 "[ . 1 . 2]" 1
949 1 56 LYS H 1 57 VAL H 1.800 . 5.000 4.506 4.457 4.520 . 0 0 "[ . 1 . 2]" 1
950 1 57 VAL H 1 57 VAL HB 1.800 . 3.000 2.996 2.976 3.006 0.006 9 0 "[ . 1 . 2]" 1
951 1 57 VAL H 1 57 VAL MG1 1.800 . 5.000 3.813 3.805 3.822 . 0 0 "[ . 1 . 2]" 1
952 1 57 VAL H 1 57 VAL MG2 1.800 . 5.000 2.097 1.954 2.214 . 0 0 "[ . 1 . 2]" 1
953 1 57 VAL H 1 57 VAL QG 1.800 . 3.500 2.087 1.948 2.201 . 0 0 "[ . 1 . 2]" 1
954 1 57 VAL H 1 58 ILE HA 1.800 . 5.500 4.932 4.915 4.956 . 0 0 "[ . 1 . 2]" 1
955 1 45 VAL HA 1 57 VAL HA 1.800 . 6.000 5.963 5.745 6.020 0.020 8 0 "[ . 1 . 2]" 1
956 1 57 VAL HA 1 58 ILE QG 1.800 . 5.000 3.667 3.645 3.702 . 0 0 "[ . 1 . 2]" 1
957 1 10 ILE HA 1 57 VAL MG1 1.800 . 6.000 2.779 2.635 2.911 . 0 0 "[ . 1 . 2]" 1
958 1 10 ILE HA 1 57 VAL MG2 1.800 . 6.000 5.333 5.171 5.486 . 0 0 "[ . 1 . 2]" 1
959 1 10 ILE HA 1 57 VAL QG 1.800 . 3.500 2.770 2.627 2.900 . 0 0 "[ . 1 . 2]" 1
960 1 10 ILE MD 1 57 VAL MG1 1.800 . 4.500 2.223 1.898 2.405 . 0 0 "[ . 1 . 2]" 1
961 1 10 ILE MD 1 57 VAL MG2 1.800 . 4.500 4.028 3.868 4.216 . 0 0 "[ . 1 . 2]" 1
962 1 10 ILE MD 1 57 VAL QG 1.800 . 3.000 2.212 1.894 2.390 . 0 0 "[ . 1 . 2]" 1
963 1 22 TYR QB 1 57 VAL QG 1.800 . 6.000 3.413 3.322 3.492 . 0 0 "[ . 1 . 2]" 1
964 1 34 ILE HB 1 57 VAL QG 1.800 . 5.500 3.091 2.996 3.303 . 0 0 "[ . 1 . 2]" 1
965 1 39 LEU QD 1 57 VAL MG1 1.800 . 5.000 2.426 2.232 2.746 . 0 0 "[ . 1 . 2]" 1
966 1 39 LEU QD 1 57 VAL MG2 1.800 . 5.000 2.652 2.438 2.971 . 0 0 "[ . 1 . 2]" 1
967 1 39 LEU MD1 1 57 VAL QG 1.800 . 5.500 3.207 2.799 3.493 . 0 0 "[ . 1 . 2]" 1
968 1 39 LEU MD2 1 57 VAL QG 1.800 . 5.500 2.294 2.154 2.608 . 0 0 "[ . 1 . 2]" 1
969 1 39 LEU QD 1 57 VAL QG 1.800 . 4.500 2.243 2.127 2.533 . 0 0 "[ . 1 . 2]" 1
970 1 44 ASP HA 1 57 VAL MG1 1.800 . 5.000 4.385 4.343 4.418 . 0 0 "[ . 1 . 2]" 1
971 1 44 ASP HA 1 57 VAL MG2 1.800 . 5.000 2.607 2.438 2.869 . 0 0 "[ . 1 . 2]" 1
972 1 44 ASP QB 1 57 VAL MG1 1.800 . 5.500 4.299 4.220 4.417 . 0 0 "[ . 1 . 2]" 1
973 1 44 ASP QB 1 57 VAL MG2 1.800 . 5.500 3.036 2.953 3.177 . 0 0 "[ . 1 . 2]" 1
974 1 57 VAL MG1 1 58 ILE H 1.800 . 5.500 3.094 3.046 3.116 . 0 0 "[ . 1 . 2]" 1
975 1 57 VAL MG2 1 58 ILE H 1.800 . 5.500 4.423 4.411 4.436 . 0 0 "[ . 1 . 2]" 1
976 1 57 VAL QG 1 58 ILE H 1.800 . 4.500 3.037 2.996 3.057 . 0 0 "[ . 1 . 2]" 1
977 1 57 VAL QG 1 58 ILE HA 1.800 . 5.500 4.382 4.366 4.402 . 0 0 "[ . 1 . 2]" 1
978 1 57 VAL QG 1 59 TYR HA 1.800 . 6.000 5.219 5.157 5.299 . 0 0 "[ . 1 . 2]" 1
979 1 57 VAL QG 1 59 TYR QB 1.800 . 4.500 3.824 3.755 3.888 . 0 0 "[ . 1 . 2]" 1
980 1 7 GLU HA 1 58 ILE H 1.800 . 5.500 4.982 4.775 5.114 . 0 0 "[ . 1 . 2]" 1
981 1 9 GLU HA 1 58 ILE H 1.800 . 3.500 2.886 2.655 3.087 . 0 0 "[ . 1 . 2]" 1
982 1 9 GLU QB 1 58 ILE H 1.800 . 5.500 4.925 4.698 5.110 . 0 0 "[ . 1 . 2]" 1
983 1 57 VAL HA 1 58 ILE H 1.800 . 3.000 2.146 2.137 2.152 . 0 0 "[ . 1 . 2]" 1
984 1 57 VAL H 1 58 ILE H 1.800 . 5.000 4.276 4.257 4.313 . 0 0 "[ . 1 . 2]" 1
985 1 58 ILE H 1 58 ILE HB 1.800 . 3.000 2.636 2.625 2.648 . 0 0 "[ . 1 . 2]" 1
986 1 58 ILE H 1 58 ILE MD 1.800 . 4.000 3.301 3.211 3.386 . 0 0 "[ . 1 . 2]" 1
987 1 58 ILE H 1 58 ILE HG13 1.800 . 4.000 3.727 3.691 3.757 . 0 0 "[ . 1 . 2]" 1
988 1 58 ILE H 1 58 ILE HG12 1.800 . 4.000 2.251 2.206 2.290 . 0 0 "[ . 1 . 2]" 1
989 1 58 ILE H 1 58 ILE QG 1.800 . 3.000 2.233 2.189 2.271 . 0 0 "[ . 1 . 2]" 1
990 1 58 ILE H 1 58 ILE MG 1.800 . 4.500 3.826 3.818 3.834 . 0 0 "[ . 1 . 2]" 1
991 1 58 ILE H 1 59 TYR H 1.800 . 5.000 4.532 4.523 4.543 . 0 0 "[ . 1 . 2]" 1
992 1 9 GLU HA 1 58 ILE HA 1.800 . 5.500 4.433 4.286 4.579 . 0 0 "[ . 1 . 2]" 1
993 1 9 GLU HG3 1 58 ILE HB 1.800 . 5.000 3.267 2.726 3.444 . 0 0 "[ . 1 . 2]" 1
994 1 9 GLU HG2 1 58 ILE HB 1.800 . 5.000 2.798 2.402 3.298 . 0 0 "[ . 1 . 2]" 1
995 1 9 GLU QG 1 58 ILE HB 1.800 . 4.000 2.621 2.354 2.930 . 0 0 "[ . 1 . 2]" 1
996 1 58 ILE MG 1 59 TYR HA 1.800 . 5.500 3.498 3.371 3.612 . 0 0 "[ . 1 . 2]" 1
997 1 10 ILE H 1 58 ILE MG 1.800 . 6.000 4.266 4.157 4.363 . 0 0 "[ . 1 . 2]" 1
998 1 57 VAL HA 1 58 ILE MD 1.800 . 6.000 4.270 4.119 4.361 . 0 0 "[ . 1 . 2]" 1
999 1 57 VAL H 1 58 ILE MD 1.800 . 6.000 4.168 4.010 4.337 . 0 0 "[ . 1 . 2]" 1
1000 1 9 GLU HA 1 59 TYR H 1.800 . 5.500 5.092 4.991 5.213 . 0 0 "[ . 1 . 2]" 1
1001 1 10 ILE H 1 59 TYR H 1.800 . 5.000 4.741 4.717 4.768 . 0 0 "[ . 1 . 2]" 1
1002 1 57 VAL QG 1 59 TYR H 1.800 . 5.500 5.078 5.048 5.100 . 0 0 "[ . 1 . 2]" 1
1003 1 58 ILE HA 1 59 TYR H 1.800 . 3.000 2.183 2.174 2.193 . 0 0 "[ . 1 . 2]" 1
1004 1 58 ILE HB 1 59 TYR H 1.800 . 5.000 3.986 3.972 4.005 . 0 0 "[ . 1 . 2]" 1
1005 1 58 ILE MD 1 59 TYR H 1.800 . 4.500 3.741 3.638 3.841 . 0 0 "[ . 1 . 2]" 1
1006 1 58 ILE HG13 1 59 TYR H 1.800 . 6.000 5.361 5.336 5.378 . 0 0 "[ . 1 . 2]" 1
1007 1 58 ILE HG12 1 59 TYR H 1.800 . 6.000 5.123 5.096 5.164 . 0 0 "[ . 1 . 2]" 1
1008 1 58 ILE QG 1 59 TYR H 1.800 . 5.500 4.662 4.648 4.676 . 0 0 "[ . 1 . 2]" 1
1009 1 58 ILE MG 1 59 TYR H 1.800 . 4.500 2.382 2.211 2.485 . 0 0 "[ . 1 . 2]" 1
1010 1 10 ILE HB 1 59 TYR HB3 1.800 . 4.000 2.165 2.016 2.302 . 0 0 "[ . 1 . 2]" 1
1011 1 10 ILE HB 1 59 TYR HB2 1.800 . 4.000 3.751 3.589 3.913 . 0 0 "[ . 1 . 2]" 1
1012 1 10 ILE H 1 59 TYR HB3 1.800 . 5.000 3.596 3.497 3.683 . 0 0 "[ . 1 . 2]" 1
1013 1 10 ILE H 1 59 TYR HB2 1.800 . 5.000 4.989 4.915 5.021 0.021 14 0 "[ . 1 . 2]" 1
1014 1 10 ILE MG 1 60 ASP H 1.800 . 5.000 3.363 3.252 3.540 . 0 0 "[ . 1 . 2]" 1
1015 1 59 TYR HA 1 60 ASP H 1.800 . 3.000 2.584 2.478 2.655 . 0 0 "[ . 1 . 2]" 1
1016 1 59 TYR QB 1 60 ASP H 1.800 . 3.000 2.106 2.046 2.328 . 0 0 "[ . 1 . 2]" 1
1017 1 59 TYR H 1 60 ASP H 1.800 . 5.000 4.392 4.378 4.405 . 0 0 "[ . 1 . 2]" 1
1018 1 60 ASP H 1 60 ASP HB3 1.800 . 3.000 2.773 2.652 2.937 . 0 0 "[ . 1 . 2]" 1
1019 1 60 ASP H 1 60 ASP HB2 1.800 . 3.000 2.474 2.324 2.620 . 0 0 "[ . 1 . 2]" 1
1020 1 60 ASP H 1 61 LYS H 1.800 . 5.000 4.202 4.076 4.294 . 0 0 "[ . 1 . 2]" 1
1021 1 60 ASP HB3 1 63 GLN QB 1.800 . 4.000 1.976 1.844 2.079 . 0 0 "[ . 1 . 2]" 1
1022 1 60 ASP HB2 1 63 GLN QB 1.800 . 4.000 3.527 3.336 3.682 . 0 0 "[ . 1 . 2]" 1
1023 1 60 ASP QB 1 63 GLN QB 1.800 . 3.000 1.966 1.836 2.068 . 0 0 "[ . 1 . 2]" 1
1024 1 60 ASP HA 1 61 LYS H 1.800 . 3.000 2.197 2.151 2.259 . 0 0 "[ . 1 . 2]" 1
1025 1 60 ASP HB3 1 61 LYS H 1.800 . 5.000 4.305 4.172 4.397 . 0 0 "[ . 1 . 2]" 1
1026 1 60 ASP HB2 1 61 LYS H 1.800 . 5.000 4.599 4.516 4.626 . 0 0 "[ . 1 . 2]" 1
1027 1 61 LYS H 1 61 LYS HA 1.800 . 3.000 2.804 2.791 2.811 . 0 0 "[ . 1 . 2]" 1
1028 1 61 LYS H 1 61 LYS QB 1.800 . 3.000 2.323 2.187 2.541 . 0 0 "[ . 1 . 2]" 1
1029 1 61 LYS H 1 61 LYS QD 1.800 . 5.000 4.249 3.902 4.571 . 0 0 "[ . 1 . 2]" 1
1030 1 61 LYS H 1 61 LYS QG 1.800 . 3.000 2.580 2.169 2.855 . 0 0 "[ . 1 . 2]" 1
1031 1 61 LYS H 1 62 ASP HA 1.800 . 5.500 5.279 5.253 5.309 . 0 0 "[ . 1 . 2]" 1
1032 1 61 LYS H 1 62 ASP QB 1.800 . 5.500 4.472 4.386 4.659 . 0 0 "[ . 1 . 2]" 1
1033 1 61 LYS H 1 62 ASP H 1.800 . 3.000 2.691 2.655 2.727 . 0 0 "[ . 1 . 2]" 1
1034 1 61 LYS HA 1 64 PHE HB3 1.800 . 4.500 3.878 3.642 4.115 . 0 0 "[ . 1 . 2]" 1
1035 1 61 LYS HA 1 64 PHE HB2 1.800 . 4.500 2.450 2.133 2.754 . 0 0 "[ . 1 . 2]" 1
1036 1 61 LYS HA 1 65 VAL QG 1.800 . 4.000 2.964 2.116 3.727 . 0 0 "[ . 1 . 2]" 1
1037 1 61 LYS QD 1 65 VAL QG 1.800 . 4.500 2.708 1.837 4.472 . 0 0 "[ . 1 . 2]" 1
1038 1 42 GLY QA 1 61 LYS QE 1.800 . 5.000 3.481 2.465 4.271 . 0 0 "[ . 1 . 2]" 1
1039 1 44 ASP QB 1 61 LYS QE 1.800 . 6.000 4.684 3.768 5.736 . 0 0 "[ . 1 . 2]" 1
1040 1 61 LYS QE 1 65 VAL QG 1.800 . 5.500 3.946 2.428 4.700 . 0 0 "[ . 1 . 2]" 1
1041 1 60 ASP HA 1 62 ASP H 1.800 . 4.000 3.519 3.444 3.577 . 0 0 "[ . 1 . 2]" 1
1042 1 60 ASP H 1 62 ASP H 1.800 . 6.000 5.592 5.537 5.679 . 0 0 "[ . 1 . 2]" 1
1043 1 61 LYS HA 1 62 ASP H 1.800 . 3.500 3.507 3.500 3.520 0.020 20 0 "[ . 1 . 2]" 1
1044 1 61 LYS HB3 1 62 ASP H 1.800 . 4.000 3.697 3.544 3.880 . 0 0 "[ . 1 . 2]" 1
1045 1 61 LYS HB2 1 62 ASP H 1.800 . 4.000 2.964 2.799 3.062 . 0 0 "[ . 1 . 2]" 1
1046 1 61 LYS QB 1 62 ASP H 1.800 . 3.500 2.846 2.736 2.903 . 0 0 "[ . 1 . 2]" 1
1047 1 61 LYS QD 1 62 ASP H 1.800 . 5.500 5.171 5.088 5.313 . 0 0 "[ . 1 . 2]" 1
1048 1 61 LYS QG 1 62 ASP H 1.800 . 5.000 4.320 4.037 4.454 . 0 0 "[ . 1 . 2]" 1
1049 1 62 ASP H 1 62 ASP HA 1.800 . 3.000 2.829 2.824 2.843 . 0 0 "[ . 1 . 2]" 1
1050 1 62 ASP H 1 63 GLN H 1.800 . 3.000 2.616 2.565 2.637 . 0 0 "[ . 1 . 2]" 1
1051 1 62 ASP H 1 65 VAL QG 1.800 . 5.500 4.813 4.526 5.125 . 0 0 "[ . 1 . 2]" 1
1052 1 61 LYS QB 1 62 ASP HA 1.800 . 5.000 3.929 3.894 3.951 . 0 0 "[ . 1 . 2]" 1
1053 1 60 ASP QB 1 63 GLN H 1.800 . 4.500 2.731 2.432 2.944 . 0 0 "[ . 1 . 2]" 1
1054 1 60 ASP H 1 63 GLN H 1.800 . 5.000 5.015 4.898 5.070 0.070 4 0 "[ . 1 . 2]" 1
1055 1 61 LYS H 1 63 GLN H 1.800 . 4.500 4.265 4.183 4.375 . 0 0 "[ . 1 . 2]" 1
1056 1 62 ASP HA 1 63 GLN H 1.800 . 4.000 3.524 3.506 3.546 . 0 0 "[ . 1 . 2]" 1
1057 1 62 ASP HB3 1 63 GLN H 1.800 . 4.000 3.108 2.652 3.693 . 0 0 "[ . 1 . 2]" 1
1058 1 62 ASP HB2 1 63 GLN H 1.800 . 4.000 3.368 2.837 3.720 . 0 0 "[ . 1 . 2]" 1
1059 1 62 ASP QB 1 63 GLN H 1.800 . 3.000 2.761 2.587 2.874 . 0 0 "[ . 1 . 2]" 1
1060 1 63 GLN H 1 63 GLN HA 1.800 . 3.000 2.894 2.865 2.927 . 0 0 "[ . 1 . 2]" 1
1061 1 63 GLN H 1 63 GLN QB 1.800 . 3.000 2.266 2.160 2.374 . 0 0 "[ . 1 . 2]" 1
1062 1 63 GLN H 1 63 GLN QG 1.800 . 3.500 2.845 2.432 3.150 . 0 0 "[ . 1 . 2]" 1
1063 1 63 GLN H 1 64 PHE QB 1.800 . 5.000 4.233 4.047 4.405 . 0 0 "[ . 1 . 2]" 1
1064 1 63 GLN H 1 65 VAL QG 1.800 . 5.500 5.144 4.816 5.405 . 0 0 "[ . 1 . 2]" 1
1065 1 60 ASP QB 1 63 GLN HB3 1.800 . 4.500 3.539 3.275 3.675 . 0 0 "[ . 1 . 2]" 1
1066 1 60 ASP QB 1 63 GLN HB2 1.800 . 4.500 1.976 1.845 2.079 . 0 0 "[ . 1 . 2]" 1
1067 1 60 ASP HB3 1 63 GLN QG 1.800 . 4.500 2.853 2.355 3.461 . 0 0 "[ . 1 . 2]" 1
1068 1 60 ASP HB2 1 63 GLN QG 1.800 . 4.500 3.772 3.205 4.418 . 0 0 "[ . 1 . 2]" 1
1069 1 60 ASP QB 1 63 GLN HG3 1.800 . 5.000 2.847 2.335 3.606 . 0 0 "[ . 1 . 2]" 1
1070 1 60 ASP QB 1 63 GLN HG2 1.800 . 5.000 3.907 3.141 4.485 . 0 0 "[ . 1 . 2]" 1
1071 1 60 ASP QB 1 63 GLN QG 1.800 . 4.000 2.769 2.299 3.331 . 0 0 "[ . 1 . 2]" 1
1072 1 61 LYS HA 1 64 PHE H 1.800 . 4.000 3.313 3.147 3.568 . 0 0 "[ . 1 . 2]" 1
1073 1 61 LYS H 1 64 PHE H 1.800 . 5.500 4.740 4.565 4.874 . 0 0 "[ . 1 . 2]" 1
1074 1 62 ASP H 1 64 PHE H 1.800 . 4.500 4.104 3.962 4.225 . 0 0 "[ . 1 . 2]" 1
1075 1 63 GLN HB3 1 64 PHE H 1.800 . 3.500 3.448 3.197 3.511 0.011 17 0 "[ . 1 . 2]" 1
1076 1 63 GLN HB2 1 64 PHE H 1.800 . 3.500 2.737 2.501 3.011 . 0 0 "[ . 1 . 2]" 1
1077 1 63 GLN QB 1 64 PHE H 1.800 . 3.000 2.630 2.446 2.848 . 0 0 "[ . 1 . 2]" 1
1078 1 63 GLN QG 1 64 PHE H 1.800 . 5.000 4.250 4.045 4.465 . 0 0 "[ . 1 . 2]" 1
1079 1 64 PHE H 1 64 PHE HB3 1.800 . 4.000 3.522 3.496 3.559 . 0 0 "[ . 1 . 2]" 1
1080 1 64 PHE H 1 64 PHE HB2 1.800 . 4.000 2.230 2.193 2.300 . 0 0 "[ . 1 . 2]" 1
1081 1 64 PHE H 1 64 PHE QB 1.800 . 3.000 2.207 2.172 2.273 . 0 0 "[ . 1 . 2]" 1
1082 1 64 PHE H 1 65 VAL QG 1.800 . 5.000 4.180 3.941 4.371 . 0 0 "[ . 1 . 2]" 1
1083 1 61 LYS QG 1 64 PHE QB 1.800 . 6.000 4.091 3.496 4.606 . 0 0 "[ . 1 . 2]" 1
1084 1 64 PHE QB 1 65 VAL QG 1.800 . 6.000 2.943 2.619 3.409 . 0 0 "[ . 1 . 2]" 1
1085 1 40 GLU QG 1 65 VAL H 1.800 . 5.500 4.641 3.815 5.053 . 0 0 "[ . 1 . 2]" 1
1086 1 62 ASP QB 1 65 VAL H 1.800 . 6.000 5.484 5.082 5.960 . 0 0 "[ . 1 . 2]" 1
1087 1 61 LYS HA 1 65 VAL H 1.800 . 4.000 3.196 2.447 3.652 . 0 0 "[ . 1 . 2]" 1
1088 1 64 PHE HA 1 65 VAL H 1.800 . 4.000 3.567 3.526 3.588 . 0 0 "[ . 1 . 2]" 1
1089 1 64 PHE HB3 1 65 VAL H 1.800 . 4.000 3.101 2.643 3.530 . 0 0 "[ . 1 . 2]" 1
1090 1 64 PHE HB2 1 65 VAL H 1.800 . 4.000 2.636 2.256 2.977 . 0 0 "[ . 1 . 2]" 1
1091 1 64 PHE QB 1 65 VAL H 1.800 . 3.000 2.497 2.149 2.821 . 0 0 "[ . 1 . 2]" 1
1092 1 65 VAL H 1 65 VAL HB 1.800 . 3.000 2.802 2.601 3.043 0.043 7 0 "[ . 1 . 2]" 1
1093 1 65 VAL H 1 65 VAL QG 1.800 . 3.000 2.187 1.937 2.685 . 0 0 "[ . 1 . 2]" 1
1094 1 65 VAL H 1 66 SER QB 1.800 . 5.500 4.707 3.991 5.331 . 0 0 "[ . 1 . 2]" 1
1095 1 65 VAL H 1 66 SER H 1.800 . 4.000 3.945 3.816 4.034 0.034 9 0 "[ . 1 . 2]" 1
1096 1 40 GLU QG 1 65 VAL HA 1.800 . 5.500 4.424 3.781 4.819 . 0 0 "[ . 1 . 2]" 1
1097 1 64 PHE HB3 1 65 VAL HA 1.800 . 6.000 4.242 4.017 4.493 . 0 0 "[ . 1 . 2]" 1
1098 1 64 PHE HB2 1 65 VAL HA 1.800 . 6.000 4.885 4.717 4.980 . 0 0 "[ . 1 . 2]" 1
1099 1 65 VAL HA 1 66 SER H 1.800 . 3.000 2.262 2.190 2.342 . 0 0 "[ . 1 . 2]" 1
1100 1 65 VAL HB 1 66 SER H 1.800 . 4.500 4.464 4.406 4.539 0.039 17 0 "[ . 1 . 2]" 1
1101 1 65 VAL QG 1 66 SER H 1.800 . 5.500 3.300 3.125 3.463 . 0 0 "[ . 1 . 2]" 1
1102 1 66 SER H 1 66 SER QB 1.800 . 3.000 2.672 2.208 3.030 0.030 4 0 "[ . 1 . 2]" 1
1103 1 66 SER HA 1 69 THR HB 1.800 . 4.000 3.664 2.547 4.031 0.031 18 0 "[ . 1 . 2]" 1
1104 1 65 VAL HA 1 67 GLY H 1.800 . 5.000 4.319 3.397 5.009 0.009 16 0 "[ . 1 . 2]" 1
1105 1 66 SER HA 1 67 GLY H 1.800 . 3.000 2.543 2.233 2.975 . 0 0 "[ . 1 . 2]" 1
1106 1 67 GLY H 1 68 GLU H 1.800 . 4.000 2.743 2.097 4.015 0.015 18 0 "[ . 1 . 2]" 1
1107 1 65 VAL QG 1 68 GLU H 1.800 . 6.000 4.751 2.008 6.026 0.026 9 0 "[ . 1 . 2]" 1
1108 1 67 GLY QA 1 68 GLU H 1.800 . 3.000 2.488 2.174 2.747 . 0 0 "[ . 1 . 2]" 1
1109 1 68 GLU H 1 68 GLU HA 1.800 . 3.000 2.937 2.904 2.952 . 0 0 "[ . 1 . 2]" 1
1110 1 68 GLU H 1 68 GLU HB3 1.800 . 4.000 3.346 2.852 3.679 . 0 0 "[ . 1 . 2]" 1
1111 1 68 GLU H 1 68 GLU HB2 1.800 . 4.000 2.485 2.227 3.687 . 0 0 "[ . 1 . 2]" 1
1112 1 68 GLU H 1 68 GLU QB 1.800 . 3.000 2.378 2.204 2.897 . 0 0 "[ . 1 . 2]" 1
1113 1 68 GLU H 1 68 GLU QG 1.800 . 4.500 3.465 2.008 4.163 . 0 0 "[ . 1 . 2]" 1
1114 1 68 GLU H 1 69 THR HB 1.800 . 5.000 4.592 4.194 4.994 . 0 0 "[ . 1 . 2]" 1
1115 1 67 GLY QA 1 68 GLU HA 1.800 . 4.000 3.980 3.945 4.007 0.007 6 0 "[ . 1 . 2]" 1
1116 1 67 GLY QA 1 69 THR H 1.800 . 5.500 3.919 3.620 4.637 . 0 0 "[ . 1 . 2]" 1
1117 1 68 GLU HA 1 69 THR H 1.800 . 3.000 2.774 2.302 3.032 0.032 8 0 "[ . 1 . 2]" 1
1118 1 68 GLU HB3 1 69 THR H 1.800 . 5.000 4.280 4.022 4.642 . 0 0 "[ . 1 . 2]" 1
1119 1 68 GLU HB2 1 69 THR H 1.800 . 5.000 4.398 4.171 4.610 . 0 0 "[ . 1 . 2]" 1
1120 1 68 GLU QG 1 69 THR H 1.800 . 5.500 4.466 3.808 4.706 . 0 0 "[ . 1 . 2]" 1
1121 1 69 THR H 1 69 THR MG 1.800 . 5.000 3.040 2.050 4.036 . 0 0 "[ . 1 . 2]" 1
1122 1 69 THR HA 1 70 VAL HB 1.800 . 5.000 4.678 4.328 4.851 . 0 0 "[ . 1 . 2]" 1
1123 1 69 THR HA 1 70 VAL QG 1.800 . 4.000 3.619 3.241 4.003 0.003 11 0 "[ . 1 . 2]" 1
1124 1 69 THR HA 1 70 VAL H 1.800 . 3.000 2.223 2.134 2.496 . 0 0 "[ . 1 . 2]" 1
1125 1 69 THR HB 1 70 VAL H 1.800 . 4.500 4.151 3.723 4.478 . 0 0 "[ . 1 . 2]" 1
1126 1 69 THR MG 1 70 VAL H 1.800 . 5.000 3.411 2.449 4.264 . 0 0 "[ . 1 . 2]" 1
1127 1 70 VAL H 1 70 VAL HB 1.800 . 3.500 2.943 2.522 3.585 0.085 2 0 "[ . 1 . 2]" 1
1128 1 70 VAL H 1 70 VAL QG 1.800 . 3.500 2.329 1.969 2.797 . 0 0 "[ . 1 . 2]" 1
1129 1 70 VAL H 1 71 PRO HD3 1.800 . 5.500 4.540 3.882 4.702 . 0 0 "[ . 1 . 2]" 1
1130 1 70 VAL H 1 71 PRO HD2 1.800 . 5.500 5.118 4.830 5.279 . 0 0 "[ . 1 . 2]" 1
1131 1 70 VAL HA 1 71 PRO HD3 1.800 . 3.000 2.005 1.883 2.217 . 0 0 "[ . 1 . 2]" 1
1132 1 70 VAL HA 1 71 PRO HD2 1.800 . 3.000 2.565 2.294 2.744 . 0 0 "[ . 1 . 2]" 1
1133 1 70 VAL HB 1 71 PRO HD3 1.800 . 4.500 4.440 4.141 4.535 0.035 3 0 "[ . 1 . 2]" 1
1134 1 70 VAL HB 1 71 PRO HD2 1.800 . 4.500 4.030 3.771 4.450 . 0 0 "[ . 1 . 2]" 1
1135 1 70 VAL HB 1 71 PRO QD 1.800 . 4.000 3.733 3.591 3.947 . 0 0 "[ . 1 . 2]" 1
1136 1 70 VAL QG 1 71 PRO HD3 1.800 . 4.500 2.890 2.644 3.343 . 0 0 "[ . 1 . 2]" 1
1137 1 70 VAL QG 1 71 PRO HD2 1.800 . 4.500 1.942 1.827 2.532 . 0 0 "[ . 1 . 2]" 1
1138 1 70 VAL QG 1 71 PRO QD 1.800 . 3.500 1.911 1.798 2.460 0.002 2 0 "[ . 1 . 2]" 1
1139 1 71 PRO HA 1 72 ALA H 1.800 . 3.000 2.390 2.145 2.756 . 0 0 "[ . 1 . 2]" 1
1140 1 71 PRO HB3 1 72 ALA H 1.800 . 5.000 3.315 2.633 4.686 . 0 0 "[ . 1 . 2]" 1
1141 1 71 PRO HB2 1 72 ALA H 1.800 . 5.000 3.288 2.165 4.391 . 0 0 "[ . 1 . 2]" 1
1142 1 72 ALA H 1 72 ALA MB 1.800 . 3.000 2.656 2.115 2.959 . 0 0 "[ . 1 . 2]" 1
1143 1 72 ALA H 1 73 PRO HD3 1.800 . 5.500 4.688 4.291 5.123 . 0 0 "[ . 1 . 2]" 1
1144 1 72 ALA H 1 73 PRO HD2 1.800 . 5.500 4.888 4.676 5.185 . 0 0 "[ . 1 . 2]" 1
1145 1 72 ALA HA 1 73 PRO QG 1.800 . 5.000 3.985 3.779 4.129 . 0 0 "[ . 1 . 2]" 1
1146 1 72 ALA HA 1 73 PRO HD3 1.800 . 3.000 2.258 1.925 2.431 . 0 0 "[ . 1 . 2]" 1
1147 1 72 ALA HA 1 73 PRO HD2 1.800 . 3.000 2.490 2.010 2.808 . 0 0 "[ . 1 . 2]" 1
1148 1 71 PRO HA 1 72 ALA MB 1.800 . 5.500 3.977 3.743 4.565 . 0 0 "[ . 1 . 2]" 1
1149 1 72 ALA MB 1 73 PRO QG 1.800 . 5.500 3.788 3.464 4.594 . 0 0 "[ . 1 . 2]" 1
1150 1 72 ALA MB 1 73 PRO HD3 1.800 . 4.000 3.287 2.947 3.970 . 0 0 "[ . 1 . 2]" 1
1151 1 72 ALA MB 1 73 PRO HD2 1.800 . 4.000 2.279 1.958 3.168 . 0 0 "[ . 1 . 2]" 1
1152 1 72 ALA MB 1 73 PRO QD 1.800 . 3.000 2.230 1.938 2.976 . 0 0 "[ . 1 . 2]" 1
1153 1 73 PRO QB 1 75 ALA MB 1.800 . 6.000 5.090 4.196 5.853 . 0 0 "[ . 1 . 2]" 1
1154 1 73 PRO HA 1 74 SER H 1.800 . 3.000 2.330 2.157 2.741 . 0 0 "[ . 1 . 2]" 1
1155 1 73 PRO HB3 1 74 SER H 1.800 . 5.000 3.751 2.736 4.675 . 0 0 "[ . 1 . 2]" 1
1156 1 73 PRO HB2 1 74 SER H 1.800 . 5.000 3.299 2.239 4.381 . 0 0 "[ . 1 . 2]" 1
1157 1 73 PRO QD 1 74 SER H 1.800 . 5.500 4.849 3.814 5.014 . 0 0 "[ . 1 . 2]" 1
1158 1 73 PRO QG 1 74 SER H 1.800 . 5.500 4.429 3.872 4.852 . 0 0 "[ . 1 . 2]" 1
1159 1 74 SER HA 1 75 ALA MB 1.800 . 5.500 4.281 3.773 5.056 . 0 0 "[ . 1 . 2]" 1
1160 1 74 SER QB 1 75 ALA H 1.800 . 5.000 3.286 1.956 3.894 . 0 0 "[ . 1 . 2]" 1
1161 1 75 ALA HA 1 76 ASN H 1.800 . 4.500 2.606 2.160 3.584 . 0 0 "[ . 1 . 2]" 1
1162 1 76 ASN HA 1 77 LYS QG 1.800 . 5.500 4.410 3.514 5.499 . 0 0 "[ . 1 . 2]" 1
1163 1 76 ASN HA 1 77 LYS H 1.800 . 3.500 2.665 2.139 3.541 0.041 15 0 "[ . 1 . 2]" 1
1164 1 76 ASN QB 1 77 LYS H 1.800 . 5.500 3.040 2.031 4.063 . 0 0 "[ . 1 . 2]" 1
1165 1 77 LYS H 1 77 LYS QG 1.800 . 5.000 3.035 2.045 4.243 . 0 0 "[ . 1 . 2]" 1
1166 1 77 LYS HA 1 79 LEU QD 1.800 . 4.000 3.384 2.513 4.012 0.012 6 0 "[ . 1 . 2]" 1
1167 1 77 LYS QB 1 79 LEU QD 1.800 . 6.000 2.905 1.817 4.292 . 0 0 "[ . 1 . 2]" 1
1168 1 77 LYS QD 1 79 LEU QD 1.800 . 4.500 3.231 2.095 4.517 0.017 20 0 "[ . 1 . 2]" 1
1169 1 77 LYS HA 1 78 GLU H 1.800 . 3.000 2.285 2.130 2.869 . 0 0 "[ . 1 . 2]" 1
1170 1 78 GLU H 1 78 GLU QG 1.800 . 4.500 3.819 2.205 4.246 . 0 0 "[ . 1 . 2]" 1
1171 1 78 GLU H 1 79 LEU QB 1.800 . 5.500 4.294 3.834 5.027 . 0 0 "[ . 1 . 2]" 1
1172 1 78 GLU H 1 79 LEU H 1.800 . 4.500 3.747 2.455 4.358 . 0 0 "[ . 1 . 2]" 1
1173 1 77 LYS QE 1 78 GLU HA 1.800 . 6.000 5.361 3.785 6.004 0.004 18 0 "[ . 1 . 2]" 1
1174 1 78 GLU HA 1 79 LEU H 1.800 . 3.000 2.278 2.129 2.836 . 0 0 "[ . 1 . 2]" 1
1175 1 78 GLU QB 1 79 LEU H 1.800 . 5.000 3.820 3.325 4.005 . 0 0 "[ . 1 . 2]" 1
1176 1 78 GLU QG 1 79 LEU H 1.800 . 5.500 3.843 3.092 4.557 . 0 0 "[ . 1 . 2]" 1
1177 1 79 LEU H 1 79 LEU QD 1.800 . 5.000 2.531 2.008 3.739 . 0 0 "[ . 1 . 2]" 1
1178 1 79 LEU H 1 80 VAL H 1.800 . 4.000 3.021 2.090 4.085 0.085 6 0 "[ . 1 . 2]" 1
1179 1 79 LEU HA 1 80 VAL H 1.800 . 3.000 2.635 2.145 3.019 0.019 6 0 "[ . 1 . 2]" 1
1180 1 79 LEU HG 1 80 VAL H 1.800 . 4.500 4.099 2.449 4.512 0.012 18 0 "[ . 1 . 2]" 1
1181 1 80 VAL H 1 80 VAL HB 1.800 . 3.000 2.744 2.602 3.017 0.017 14 0 "[ . 1 . 2]" 1
1182 1 80 VAL H 1 80 VAL QG 1.800 . 3.000 2.319 1.982 2.759 . 0 0 "[ . 1 . 2]" 1
1183 1 79 LEU HG 1 80 VAL HA 1.800 . 5.500 4.411 3.945 4.896 . 0 0 "[ . 1 . 2]" 1
1184 1 79 LEU HG 1 80 VAL QG 1.800 . 5.000 4.037 2.839 5.027 0.027 12 0 "[ . 1 . 2]" 1
1185 1 80 VAL QG 1 81 LYS HA 1.800 . 6.000 3.837 3.442 4.265 . 0 0 "[ . 1 . 2]" 1
1186 1 80 VAL HA 1 81 LYS H 1.800 . 3.000 2.306 2.135 3.012 0.012 15 0 "[ . 1 . 2]" 1
1187 1 80 VAL HB 1 81 LYS H 1.800 . 4.500 4.272 3.701 4.541 0.041 8 0 "[ . 1 . 2]" 1
1188 1 80 VAL QG 1 81 LYS H 1.800 . 4.500 2.866 2.062 3.752 . 0 0 "[ . 1 . 2]" 1
1189 1 80 VAL H 1 81 LYS H 1.800 . 4.500 4.046 2.629 4.521 0.021 16 0 "[ . 1 . 2]" 1
1190 1 81 LYS H 1 81 LYS QG 1.800 . 5.000 3.326 2.075 4.299 . 0 0 "[ . 1 . 2]" 1
1191 1 80 VAL QG 1 81 LYS QB 1.800 . 6.000 3.847 2.774 4.717 . 0 0 "[ . 1 . 2]" 1
1192 1 80 VAL HA 1 82 LEU H 1.800 . 6.000 5.026 3.521 5.799 . 0 0 "[ . 1 . 2]" 1
1193 1 81 LYS HA 1 82 LEU H 1.800 . 3.000 2.329 2.142 3.008 0.008 5 0 "[ . 1 . 2]" 1
1194 1 82 LEU H 1 82 LEU QB 1.800 . 3.000 2.503 2.118 3.011 0.011 9 0 "[ . 1 . 2]" 1
1195 1 82 LEU HA 1 83 GLU H 1.800 . 3.000 2.387 2.133 2.918 . 0 0 "[ . 1 . 2]" 1
1196 1 82 LEU HB3 1 83 GLU H 1.800 . 5.000 3.638 2.400 4.377 . 0 0 "[ . 1 . 2]" 1
1197 1 82 LEU HB2 1 83 GLU H 1.800 . 5.000 4.233 2.869 4.647 . 0 0 "[ . 1 . 2]" 1
1198 1 83 GLU HA 1 84 HIS H 1.800 . 5.000 2.739 2.142 3.584 . 0 0 "[ . 1 . 2]" 1
1199 1 3 VAL QG 1 4 PHE QD 1.800 . 6.000 4.360 2.910 5.003 . 0 0 "[ . 1 . 2]" 1
1200 1 3 VAL HA 1 4 PHE QD 1.800 . 6.000 4.072 3.369 4.737 . 0 0 "[ . 1 . 2]" 1
1201 1 4 PHE H 1 4 PHE QD 1.800 . 4.500 2.590 2.308 3.045 . 0 0 "[ . 1 . 2]" 1
1202 1 4 PHE HA 1 4 PHE QD 1.800 . 4.000 2.762 2.470 3.015 . 0 0 "[ . 1 . 2]" 1
1203 1 4 PHE QB 1 4 PHE QD 1.800 . 3.000 2.148 2.123 2.169 . 0 0 "[ . 1 . 2]" 1
1204 1 4 PHE QD 1 5 HIS H 1.800 . 5.000 3.574 2.978 4.212 . 0 0 "[ . 1 . 2]" 1
1205 1 4 PHE QD 1 6 ASP H 1.800 . 5.000 4.096 3.620 4.472 . 0 0 "[ . 1 . 2]" 1
1206 1 6 ASP HB3 1 24 TYR QE 1.800 . 6.000 5.699 5.130 5.991 . 0 0 "[ . 1 . 2]" 1
1207 1 6 ASP HB2 1 24 TYR QE 1.800 . 6.000 5.571 5.099 5.981 . 0 0 "[ . 1 . 2]" 1
1208 1 6 ASP QB 1 24 TYR QE 1.800 . 5.500 5.015 4.556 5.328 . 0 0 "[ . 1 . 2]" 1
1209 1 8 VAL H 1 13 PHE QE 1.800 . 5.000 3.882 3.515 4.157 . 0 0 "[ . 1 . 2]" 1
1210 1 8 VAL HA 1 13 PHE QE 1.800 . 6.000 4.629 4.293 4.819 . 0 0 "[ . 1 . 2]" 1
1211 1 8 VAL HB 1 13 PHE QD 1.800 . 5.500 3.732 3.499 4.045 . 0 0 "[ . 1 . 2]" 1
1212 1 8 VAL HB 1 13 PHE QE 1.800 . 3.500 1.938 1.909 1.985 . 0 0 "[ . 1 . 2]" 1
1213 1 8 VAL QG 1 13 PHE QD 1.800 . 4.000 3.039 2.716 3.215 . 0 0 "[ . 1 . 2]" 1
1214 1 9 GLU H 1 13 PHE QE 1.800 . 6.000 4.839 4.388 5.175 . 0 0 "[ . 1 . 2]" 1
1215 1 10 ILE H 1 13 PHE QD 1.800 . 5.000 4.627 4.220 4.836 . 0 0 "[ . 1 . 2]" 1
1216 1 10 ILE H 1 59 TYR QD 1.800 . 5.000 4.463 4.217 4.893 . 0 0 "[ . 1 . 2]" 1
1217 1 10 ILE HA 1 13 PHE QD 1.800 . 3.000 2.664 2.310 2.910 . 0 0 "[ . 1 . 2]" 1
1218 1 10 ILE HA 1 13 PHE QE 1.800 . 4.500 4.040 3.726 4.423 . 0 0 "[ . 1 . 2]" 1
1219 1 10 ILE HB 1 59 TYR QD 1.800 . 5.000 3.268 3.022 3.503 . 0 0 "[ . 1 . 2]" 1
1220 1 10 ILE MD 1 13 PHE QD 1.800 . 4.500 3.570 3.240 3.790 . 0 0 "[ . 1 . 2]" 1
1221 1 10 ILE MD 1 22 TYR QD 1.800 . 4.000 2.611 2.336 2.756 . 0 0 "[ . 1 . 2]" 1
1222 1 10 ILE MD 1 22 TYR QE 1.800 . 4.000 3.028 2.846 3.209 . 0 0 "[ . 1 . 2]" 1
1223 1 10 ILE MD 1 59 TYR QD 1.800 . 5.000 3.458 3.133 3.890 . 0 0 "[ . 1 . 2]" 1
1224 1 10 ILE MD 1 64 PHE QE 1.800 . 5.000 3.707 3.232 4.412 . 0 0 "[ . 1 . 2]" 1
1225 1 10 ILE HG13 1 22 TYR QE 1.800 . 5.000 2.986 2.637 3.328 . 0 0 "[ . 1 . 2]" 1
1226 1 10 ILE HG12 1 22 TYR QE 1.800 . 5.000 3.126 2.824 3.520 . 0 0 "[ . 1 . 2]" 1
1227 1 11 GLU H 1 13 PHE QD 1.800 . 5.500 4.889 4.534 5.199 . 0 0 "[ . 1 . 2]" 1
1228 1 12 ASP H 1 13 PHE QD 1.800 . 4.500 3.661 3.495 3.998 . 0 0 "[ . 1 . 2]" 1
1229 1 12 ASP H 1 24 TYR QD 1.800 . 6.000 5.924 5.666 6.013 0.013 11 0 "[ . 1 . 2]" 1
1230 1 12 ASP HB3 1 24 TYR QD 1.800 . 5.500 3.862 3.541 4.497 . 0 0 "[ . 1 . 2]" 1
1231 1 12 ASP HB2 1 24 TYR QD 1.800 . 5.500 5.144 3.882 5.511 0.011 15 0 "[ . 1 . 2]" 1
1232 1 12 ASP QB 1 24 TYR QD 1.800 . 4.000 3.714 3.370 3.969 . 0 0 "[ . 1 . 2]" 1
1233 1 13 PHE H 1 13 PHE QD 1.800 . 3.000 2.175 2.034 2.422 . 0 0 "[ . 1 . 2]" 1
1234 1 13 PHE H 1 13 PHE QE 1.800 . 5.000 4.520 4.381 4.754 . 0 0 "[ . 1 . 2]" 1
1235 1 13 PHE H 1 24 TYR QE 1.800 . 5.000 4.521 3.699 5.016 0.016 5 0 "[ . 1 . 2]" 1
1236 1 13 PHE HA 1 22 TYR QD 1.800 . 6.000 4.977 4.810 5.311 . 0 0 "[ . 1 . 2]" 1
1237 1 13 PHE QB 1 13 PHE QD 1.800 . 3.000 2.133 2.126 2.144 . 0 0 "[ . 1 . 2]" 1
1238 1 13 PHE HB3 1 24 TYR QD 1.800 . 5.500 4.495 4.012 4.924 . 0 0 "[ . 1 . 2]" 1
1239 1 13 PHE HB2 1 24 TYR QD 1.800 . 5.500 4.726 4.463 5.111 . 0 0 "[ . 1 . 2]" 1
1240 1 13 PHE QD 1 14 GLN H 1.800 . 4.500 3.453 3.129 3.820 . 0 0 "[ . 1 . 2]" 1
1241 1 14 GLN H 1 22 TYR QD 1.800 . 4.500 4.217 3.889 4.525 0.025 15 0 "[ . 1 . 2]" 1
1242 1 15 TYR HA 1 15 TYR QD 1.800 . 4.500 2.562 2.425 2.888 . 0 0 "[ . 1 . 2]" 1
1243 1 15 TYR HA 1 15 TYR QE 1.800 . 5.500 4.568 4.493 4.716 . 0 0 "[ . 1 . 2]" 1
1244 1 15 TYR QB 1 15 TYR QD 1.800 . 3.000 2.145 2.136 2.151 . 0 0 "[ . 1 . 2]" 1
1245 1 15 TYR QB 1 22 TYR QE 1.800 . 4.000 2.687 2.093 3.081 . 0 0 "[ . 1 . 2]" 1
1246 1 15 TYR QD 1 16 ASP H 1.800 . 4.000 3.244 2.860 3.792 . 0 0 "[ . 1 . 2]" 1
1247 1 15 TYR QE 1 16 ASP H 1.800 . 5.000 4.289 3.723 4.956 . 0 0 "[ . 1 . 2]" 1
1248 1 16 ASP H 1 22 TYR QD 1.800 . 6.000 4.633 4.442 5.055 . 0 0 "[ . 1 . 2]" 1
1249 1 16 ASP HB3 1 23 PHE QE 1.800 . 3.500 3.006 2.251 3.526 0.026 14 0 "[ . 1 . 2]" 1
1250 1 16 ASP HB2 1 23 PHE QE 1.800 . 3.500 2.349 1.902 3.291 . 0 0 "[ . 1 . 2]" 1
1251 1 16 ASP QB 1 23 PHE QE 1.800 . 3.000 2.238 1.892 2.998 . 0 0 "[ . 1 . 2]" 1
1252 1 15 TYR QD 1 17 GLU H 1.800 . 5.000 3.722 3.411 4.516 . 0 0 "[ . 1 . 2]" 1
1253 1 15 TYR QE 1 17 GLU H 1.800 . 5.000 4.021 3.242 4.461 . 0 0 "[ . 1 . 2]" 1
1254 1 15 TYR QD 1 17 GLU HA 1.800 . 5.000 4.176 3.944 4.571 . 0 0 "[ . 1 . 2]" 1
1255 1 15 TYR QE 1 17 GLU HA 1.800 . 3.000 2.920 2.758 3.014 0.014 5 0 "[ . 1 . 2]" 1
1256 1 15 TYR QD 1 17 GLU QB 1.800 . 5.000 3.630 3.136 4.466 . 0 0 "[ . 1 . 2]" 1
1257 1 15 TYR QE 1 17 GLU QB 1.800 . 3.500 2.635 2.181 3.185 . 0 0 "[ . 1 . 2]" 1
1258 1 15 TYR QD 1 17 GLU QG 1.800 . 5.000 4.278 3.706 5.009 0.009 5 0 "[ . 1 . 2]" 1
1259 1 15 TYR QE 1 17 GLU QG 1.800 . 4.500 4.298 3.712 4.527 0.027 5 0 "[ . 1 . 2]" 1
1260 1 15 TYR QE 1 18 ASP H 1.800 . 6.000 5.778 5.442 6.005 0.005 7 0 "[ . 1 . 2]" 1
1261 1 15 TYR QE 1 20 GLU H 1.800 . 5.500 4.752 4.470 5.064 . 0 0 "[ . 1 . 2]" 1
1262 1 15 TYR QD 1 20 GLU HA 1.800 . 5.500 4.258 3.919 4.508 . 0 0 "[ . 1 . 2]" 1
1263 1 15 TYR QE 1 20 GLU HA 1.800 . 3.500 2.999 2.541 3.445 . 0 0 "[ . 1 . 2]" 1
1264 1 15 TYR QE 1 20 GLU HB3 1.800 . 6.000 3.620 2.741 5.079 . 0 0 "[ . 1 . 2]" 1
1265 1 15 TYR QE 1 20 GLU HB2 1.800 . 6.000 4.805 4.307 5.249 . 0 0 "[ . 1 . 2]" 1
1266 1 15 TYR QE 1 20 GLU HG3 1.800 . 6.000 4.455 2.177 5.904 . 0 0 "[ . 1 . 2]" 1
1267 1 15 TYR QE 1 20 GLU HG2 1.800 . 6.000 3.751 2.668 4.852 . 0 0 "[ . 1 . 2]" 1
1268 1 15 TYR QE 1 20 GLU QG 1.800 . 5.500 3.506 2.085 4.536 . 0 0 "[ . 1 . 2]" 1
1269 1 15 TYR QD 1 21 THR H 1.800 . 5.500 4.459 4.112 4.897 . 0 0 "[ . 1 . 2]" 1
1270 1 15 TYR QE 1 21 THR H 1.800 . 5.000 4.386 3.771 4.907 . 0 0 "[ . 1 . 2]" 1
1271 1 15 TYR QE 1 21 THR HA 1.800 . 6.000 5.304 4.126 6.004 0.004 3 0 "[ . 1 . 2]" 1
1272 1 21 THR HA 1 22 TYR QD 1.800 . 5.000 3.097 2.797 3.357 . 0 0 "[ . 1 . 2]" 1
1273 1 21 THR HA 1 22 TYR QE 1.800 . 6.000 4.235 3.895 4.523 . 0 0 "[ . 1 . 2]" 1
1274 1 21 THR HB 1 23 PHE QE 1.800 . 4.500 2.358 2.005 4.523 0.023 17 0 "[ . 1 . 2]" 1
1275 1 21 THR MG 1 22 TYR QD 1.800 . 6.000 4.007 3.852 4.264 . 0 0 "[ . 1 . 2]" 1
1276 1 21 THR MG 1 23 PHE QE 1.800 . 5.000 2.911 2.182 5.019 0.019 17 0 "[ . 1 . 2]" 1
1277 1 13 PHE QD 1 22 TYR H 1.800 . 6.000 4.832 4.633 5.236 . 0 0 "[ . 1 . 2]" 1
1278 1 22 TYR H 1 22 TYR QD 1.800 . 3.000 2.403 2.206 2.678 . 0 0 "[ . 1 . 2]" 1
1279 1 22 TYR H 1 22 TYR QE 1.800 . 5.000 4.531 4.342 4.729 . 0 0 "[ . 1 . 2]" 1
1280 1 13 PHE QD 1 22 TYR HA 1.800 . 5.000 3.747 3.506 4.322 . 0 0 "[ . 1 . 2]" 1
1281 1 15 TYR QD 1 22 TYR HA 1.800 . 5.000 4.535 3.472 4.989 . 0 0 "[ . 1 . 2]" 1
1282 1 22 TYR HA 1 22 TYR QD 1.800 . 4.500 3.122 3.020 3.207 . 0 0 "[ . 1 . 2]" 1
1283 1 22 TYR HA 1 22 TYR QE 1.800 . 6.000 4.760 4.701 4.828 . 0 0 "[ . 1 . 2]" 1
1284 1 22 TYR HA 1 23 PHE QD 1.800 . 5.000 2.976 2.808 3.277 . 0 0 "[ . 1 . 2]" 1
1285 1 13 PHE QD 1 23 PHE H 1.800 . 4.000 2.907 2.665 3.402 . 0 0 "[ . 1 . 2]" 1
1286 1 13 PHE QE 1 23 PHE H 1.800 . 5.500 4.908 4.562 5.503 0.003 6 0 "[ . 1 . 2]" 1
1287 1 22 TYR QD 1 23 PHE H 1.800 . 4.500 4.248 4.089 4.419 . 0 0 "[ . 1 . 2]" 1
1288 1 23 PHE H 1 23 PHE QD 1.800 . 4.000 2.487 2.369 2.695 . 0 0 "[ . 1 . 2]" 1
1289 1 13 PHE QD 1 23 PHE HA 1.800 . 5.000 3.220 2.916 3.501 . 0 0 "[ . 1 . 2]" 1
1290 1 13 PHE QE 1 23 PHE HA 1.800 . 5.500 3.634 3.111 4.372 . 0 0 "[ . 1 . 2]" 1
1291 1 23 PHE HA 1 23 PHE QD 1.800 . 4.500 3.176 3.020 3.641 . 0 0 "[ . 1 . 2]" 1
1292 1 13 PHE QD 1 24 TYR H 1.800 . 5.000 4.182 3.951 4.337 . 0 0 "[ . 1 . 2]" 1
1293 1 13 PHE QE 1 24 TYR H 1.800 . 5.000 3.925 3.460 4.512 . 0 0 "[ . 1 . 2]" 1
1294 1 23 PHE QD 1 24 TYR H 1.800 . 5.000 4.086 3.843 4.179 . 0 0 "[ . 1 . 2]" 1
1295 1 24 TYR HA 1 24 TYR QE 1.800 . 5.500 4.389 4.237 4.557 . 0 0 "[ . 1 . 2]" 1
1296 1 24 TYR HB3 1 24 TYR QD 1.800 . 3.500 2.304 2.280 2.391 . 0 0 "[ . 1 . 2]" 1
1297 1 24 TYR HB2 1 24 TYR QD 1.800 . 3.500 2.563 2.415 2.652 . 0 0 "[ . 1 . 2]" 1
1298 1 13 PHE QD 1 24 TYR QB 1.800 . 4.500 3.286 2.796 3.538 . 0 0 "[ . 1 . 2]" 1
1299 1 24 TYR QB 1 32 PHE QE 1.800 . 5.000 4.510 4.100 4.807 . 0 0 "[ . 1 . 2]" 1
1300 1 24 TYR QD 1 25 PRO HD3 1.800 . 5.000 3.660 3.018 4.000 . 0 0 "[ . 1 . 2]" 1
1301 1 24 TYR QD 1 25 PRO HD2 1.800 . 5.000 2.842 2.673 3.080 . 0 0 "[ . 1 . 2]" 1
1302 1 24 TYR QD 1 25 PRO QD 1.800 . 4.500 2.737 2.503 2.950 . 0 0 "[ . 1 . 2]" 1
1303 1 24 TYR QE 1 25 PRO HD3 1.800 . 5.500 4.647 4.300 4.836 . 0 0 "[ . 1 . 2]" 1
1304 1 24 TYR QE 1 25 PRO HD2 1.800 . 5.500 3.441 3.238 3.564 . 0 0 "[ . 1 . 2]" 1
1305 1 24 TYR QE 1 25 PRO QD 1.800 . 4.500 3.354 3.156 3.460 . 0 0 "[ . 1 . 2]" 1
1306 1 24 TYR QD 1 25 PRO HG3 1.800 . 6.000 4.999 4.898 5.307 . 0 0 "[ . 1 . 2]" 1
1307 1 24 TYR QD 1 25 PRO HG2 1.800 . 6.000 4.262 3.894 4.877 . 0 0 "[ . 1 . 2]" 1
1308 1 26 CYS H 1 32 PHE QD 1.800 . 5.000 4.898 4.548 4.984 . 0 0 "[ . 1 . 2]" 1
1309 1 26 CYS HA 1 32 PHE QE 1.800 . 5.000 3.691 2.765 4.209 . 0 0 "[ . 1 . 2]" 1
1310 1 26 CYS HB3 1 32 PHE QE 1.800 . 6.000 4.953 4.584 5.083 . 0 0 "[ . 1 . 2]" 1
1311 1 26 CYS HB2 1 32 PHE QE 1.800 . 6.000 4.266 3.561 4.635 . 0 0 "[ . 1 . 2]" 1
1312 1 26 CYS QB 1 32 PHE QE 1.800 . 5.000 4.025 3.445 4.297 . 0 0 "[ . 1 . 2]" 1
1313 1 27 PRO QD 1 32 PHE QD 1.800 . 6.000 4.783 4.506 4.972 . 0 0 "[ . 1 . 2]" 1
1314 1 23 PHE QD 1 31 ASN H 1.800 . 6.000 5.497 4.980 6.023 0.023 17 0 "[ . 1 . 2]" 1
1315 1 23 PHE QD 1 31 ASN HA 1.800 . 6.000 5.622 4.859 5.977 . 0 0 "[ . 1 . 2]" 1
1316 1 32 PHE H 1 32 PHE QD 1.800 . 3.500 2.816 2.537 2.962 . 0 0 "[ . 1 . 2]" 1
1317 1 32 PHE HA 1 32 PHE QD 1.800 . 4.000 2.591 2.411 2.712 . 0 0 "[ . 1 . 2]" 1
1318 1 32 PHE QD 1 33 SER H 1.800 . 5.000 3.115 2.868 3.457 . 0 0 "[ . 1 . 2]" 1
1319 1 13 PHE QD 1 33 SER HA 1.800 . 5.500 4.766 4.473 4.992 . 0 0 "[ . 1 . 2]" 1
1320 1 13 PHE QE 1 33 SER HA 1.800 . 5.000 4.474 4.049 5.029 0.029 6 0 "[ . 1 . 2]" 1
1321 1 23 PHE QD 1 33 SER HA 1.800 . 4.500 3.257 2.976 4.317 . 0 0 "[ . 1 . 2]" 1
1322 1 13 PHE QD 1 34 ILE H 1.800 . 5.500 4.720 4.484 4.965 . 0 0 "[ . 1 . 2]" 1
1323 1 22 TYR QD 1 34 ILE MG 1.800 . 4.000 2.885 2.607 3.033 . 0 0 "[ . 1 . 2]" 1
1324 1 22 TYR QE 1 34 ILE MG 1.800 . 6.000 4.607 4.456 4.741 . 0 0 "[ . 1 . 2]" 1
1325 1 13 PHE QD 1 34 ILE MG 1.800 . 4.500 3.103 2.912 3.306 . 0 0 "[ . 1 . 2]" 1
1326 1 13 PHE QE 1 34 ILE MG 1.800 . 4.000 2.750 2.500 3.078 . 0 0 "[ . 1 . 2]" 1
1327 1 22 TYR QE 1 36 LYS H 1.800 . 5.000 3.755 3.330 4.222 . 0 0 "[ . 1 . 2]" 1
1328 1 22 TYR QD 1 36 LYS HA 1.800 . 4.500 3.216 3.086 3.420 . 0 0 "[ . 1 . 2]" 1
1329 1 22 TYR QE 1 36 LYS HA 1.800 . 3.000 2.268 1.936 2.498 . 0 0 "[ . 1 . 2]" 1
1330 1 36 LYS HA 1 64 PHE QE 1.800 . 5.000 3.173 2.778 3.891 . 0 0 "[ . 1 . 2]" 1
1331 1 15 TYR QE 1 36 LYS HB3 1.800 . 5.000 4.632 3.814 5.001 0.001 19 0 "[ . 1 . 2]" 1
1332 1 15 TYR QE 1 36 LYS HB2 1.800 . 5.000 3.343 2.381 3.815 . 0 0 "[ . 1 . 2]" 1
1333 1 15 TYR QE 1 36 LYS QB 1.800 . 4.000 3.266 2.358 3.702 . 0 0 "[ . 1 . 2]" 1
1334 1 22 TYR QE 1 36 LYS HB3 1.800 . 5.000 3.842 3.584 4.333 . 0 0 "[ . 1 . 2]" 1
1335 1 22 TYR QE 1 36 LYS HB2 1.800 . 5.000 2.322 2.119 2.868 . 0 0 "[ . 1 . 2]" 1
1336 1 22 TYR QE 1 36 LYS QB 1.800 . 4.500 2.303 2.105 2.830 . 0 0 "[ . 1 . 2]" 1
1337 1 15 TYR QE 1 36 LYS HD3 1.800 . 6.000 3.947 2.508 6.006 0.006 13 0 "[ . 1 . 2]" 1
1338 1 15 TYR QE 1 36 LYS HD2 1.800 . 6.000 4.805 4.036 5.983 . 0 0 "[ . 1 . 2]" 1
1339 1 22 TYR QE 1 36 LYS HD3 1.800 . 6.000 3.196 2.096 4.717 . 0 0 "[ . 1 . 2]" 1
1340 1 22 TYR QE 1 36 LYS HD2 1.800 . 6.000 3.095 1.953 4.930 . 0 0 "[ . 1 . 2]" 1
1341 1 15 TYR QE 1 36 LYS QE 1.800 . 6.000 4.445 4.021 4.756 . 0 0 "[ . 1 . 2]" 1
1342 1 22 TYR QE 1 36 LYS QE 1.800 . 6.000 4.199 3.591 5.019 . 0 0 "[ . 1 . 2]" 1
1343 1 22 TYR QE 1 37 GLU H 1.800 . 6.000 5.361 4.980 5.686 . 0 0 "[ . 1 . 2]" 1
1344 1 22 TYR QE 1 39 LEU H 1.800 . 6.000 5.548 5.181 5.813 . 0 0 "[ . 1 . 2]" 1
1345 1 39 LEU HA 1 59 TYR QE 1.800 . 4.500 3.199 2.777 3.472 . 0 0 "[ . 1 . 2]" 1
1346 1 39 LEU HB3 1 59 TYR QE 1.800 . 6.000 3.024 2.914 3.342 . 0 0 "[ . 1 . 2]" 1
1347 1 39 LEU HB2 1 59 TYR QE 1.800 . 6.000 4.313 4.094 4.604 . 0 0 "[ . 1 . 2]" 1
1348 1 39 LEU QB 1 59 TYR QE 1.800 . 5.000 2.968 2.871 3.266 . 0 0 "[ . 1 . 2]" 1
1349 1 39 LEU HB3 1 64 PHE QE 1.800 . 4.500 3.159 2.477 3.483 . 0 0 "[ . 1 . 2]" 1
1350 1 39 LEU HB2 1 64 PHE QE 1.800 . 4.500 2.164 1.955 2.469 . 0 0 "[ . 1 . 2]" 1
1351 1 39 LEU QD 1 59 TYR QE 1.800 . 3.000 2.146 2.004 2.388 . 0 0 "[ . 1 . 2]" 1
1352 1 39 LEU QD 1 64 PHE QE 1.800 . 5.000 2.004 1.859 2.294 . 0 0 "[ . 1 . 2]" 1
1353 1 40 GLU H 1 64 PHE QE 1.800 . 4.500 4.037 3.620 4.366 . 0 0 "[ . 1 . 2]" 1
1354 1 40 GLU HG3 1 64 PHE QD 1.800 . 5.000 2.327 1.956 3.693 . 0 0 "[ . 1 . 2]" 1
1355 1 40 GLU HG2 1 64 PHE QD 1.800 . 5.000 2.372 1.975 2.738 . 0 0 "[ . 1 . 2]" 1
1356 1 42 GLY H 1 59 TYR QE 1.800 . 6.000 5.036 4.845 5.312 . 0 0 "[ . 1 . 2]" 1
1357 1 42 GLY QA 1 59 TYR QE 1.800 . 5.500 4.337 4.091 4.673 . 0 0 "[ . 1 . 2]" 1
1358 1 44 ASP H 1 59 TYR QE 1.800 . 5.000 4.567 4.432 4.809 . 0 0 "[ . 1 . 2]" 1
1359 1 44 ASP HA 1 59 TYR QE 1.800 . 3.000 2.908 2.719 3.111 0.111 16 0 "[ . 1 . 2]" 1
1360 1 44 ASP HB3 1 59 TYR QE 1.800 . 4.500 2.041 1.776 3.302 0.024 17 0 "[ . 1 . 2]" 1
1361 1 44 ASP HB2 1 59 TYR QE 1.800 . 4.500 2.926 2.501 4.335 . 0 0 "[ . 1 . 2]" 1
1362 1 44 ASP QB 1 59 TYR QE 1.800 . 3.500 2.001 1.757 3.205 0.043 8 0 "[ . 1 . 2]" 1
1363 1 13 PHE QE 1 46 ALA H 1.800 . 6.000 5.672 5.466 5.861 . 0 0 "[ . 1 . 2]" 1
1364 1 13 PHE QE 1 46 ALA HA 1.800 . 6.000 5.518 5.268 5.826 . 0 0 "[ . 1 . 2]" 1
1365 1 13 PHE QE 1 46 ALA MB 1.800 . 3.500 2.991 2.800 3.121 . 0 0 "[ . 1 . 2]" 1
1366 1 32 PHE QE 1 46 ALA MB 1.800 . 6.000 3.911 3.641 4.423 . 0 0 "[ . 1 . 2]" 1
1367 1 32 PHE QD 1 47 THR H 1.800 . 5.000 3.269 2.966 3.919 . 0 0 "[ . 1 . 2]" 1
1368 1 32 PHE QD 1 47 THR HA 1.800 . 4.000 2.904 2.406 3.238 . 0 0 "[ . 1 . 2]" 1
1369 1 32 PHE QD 1 48 CYS H 1.800 . 4.000 3.008 2.539 3.333 . 0 0 "[ . 1 . 2]" 1
1370 1 32 PHE QD 1 48 CYS HA 1.800 . 4.500 3.391 2.995 3.618 . 0 0 "[ . 1 . 2]" 1
1371 1 32 PHE QE 1 48 CYS HB3 1.800 . 4.500 3.737 3.207 4.394 . 0 0 "[ . 1 . 2]" 1
1372 1 32 PHE QE 1 48 CYS HB2 1.800 . 4.500 2.852 2.142 3.182 . 0 0 "[ . 1 . 2]" 1
1373 1 32 PHE QE 1 48 CYS QB 1.800 . 4.000 2.751 2.129 3.035 . 0 0 "[ . 1 . 2]" 1
1374 1 32 PHE QE 1 52 SER H 1.800 . 5.500 5.245 5.042 5.517 0.017 11 0 "[ . 1 . 2]" 1
1375 1 32 PHE QD 1 53 LEU H 1.800 . 5.500 5.216 4.668 5.493 . 0 0 "[ . 1 . 2]" 1
1376 1 4 PHE QD 1 54 ILE H 1.800 . 6.000 5.913 5.584 6.015 0.015 16 0 "[ . 1 . 2]" 1
1377 1 32 PHE QE 1 54 ILE HA 1.800 . 4.500 3.243 2.982 3.826 . 0 0 "[ . 1 . 2]" 1
1378 1 4 PHE QD 1 54 ILE HB 1.800 . 5.000 3.796 3.551 4.046 . 0 0 "[ . 1 . 2]" 1
1379 1 4 PHE QD 1 54 ILE MD 1.800 . 3.500 2.430 2.108 3.204 . 0 0 "[ . 1 . 2]" 1
1380 1 4 PHE QD 1 54 ILE HG13 1.800 . 5.000 3.752 3.489 3.945 . 0 0 "[ . 1 . 2]" 1
1381 1 4 PHE QD 1 54 ILE HG12 1.800 . 5.000 4.925 4.676 5.009 0.009 8 0 "[ . 1 . 2]" 1
1382 1 4 PHE QD 1 54 ILE QG 1.800 . 4.000 3.640 3.426 3.805 . 0 0 "[ . 1 . 2]" 1
1383 1 32 PHE QD 1 55 ILE H 1.800 . 5.500 4.803 4.483 5.181 . 0 0 "[ . 1 . 2]" 1
1384 1 4 PHE QD 1 55 ILE HA 1.800 . 4.500 2.796 2.447 3.142 . 0 0 "[ . 1 . 2]" 1
1385 1 13 PHE QE 1 55 ILE MD 1.800 . 3.500 2.655 2.203 2.858 . 0 0 "[ . 1 . 2]" 1
1386 1 32 PHE QE 1 55 ILE MD 1.800 . 5.500 3.553 3.089 3.789 . 0 0 "[ . 1 . 2]" 1
1387 1 13 PHE QE 1 55 ILE HG13 1.800 . 5.500 4.684 4.306 4.923 . 0 0 "[ . 1 . 2]" 1
1388 1 13 PHE QE 1 55 ILE HG12 1.800 . 5.500 5.140 4.772 5.288 . 0 0 "[ . 1 . 2]" 1
1389 1 24 TYR QE 1 55 ILE MG 1.800 . 5.500 4.582 3.673 5.414 . 0 0 "[ . 1 . 2]" 1
1390 1 32 PHE QE 1 55 ILE MG 1.800 . 4.500 2.404 2.296 2.553 . 0 0 "[ . 1 . 2]" 1
1391 1 4 PHE QD 1 56 LYS HA 1.800 . 4.500 3.269 2.832 3.713 . 0 0 "[ . 1 . 2]" 1
1392 1 57 VAL H 1 59 TYR QD 1.800 . 5.500 5.157 5.058 5.354 . 0 0 "[ . 1 . 2]" 1
1393 1 57 VAL HA 1 59 TYR QD 1.800 . 5.000 4.613 4.441 5.013 0.013 16 0 "[ . 1 . 2]" 1
1394 1 57 VAL HB 1 59 TYR QE 1.800 . 4.000 3.045 2.561 3.704 . 0 0 "[ . 1 . 2]" 1
1395 1 13 PHE QE 1 57 VAL QG 1.800 . 4.500 2.521 2.419 2.668 . 0 0 "[ . 1 . 2]" 1
1396 1 57 VAL QG 1 59 TYR QD 1.800 . 4.000 3.079 2.842 3.319 . 0 0 "[ . 1 . 2]" 1
1397 1 58 ILE H 1 59 TYR QD 1.800 . 5.500 4.218 3.941 4.747 . 0 0 "[ . 1 . 2]" 1
1398 1 59 TYR H 1 59 TYR QD 1.800 . 3.500 3.112 2.862 3.309 . 0 0 "[ . 1 . 2]" 1
1399 1 59 TYR QD 1 60 ASP H 1.800 . 4.000 3.216 2.791 3.519 . 0 0 "[ . 1 . 2]" 1
1400 1 60 ASP H 1 64 PHE QE 1.800 . 5.000 3.174 2.856 4.123 . 0 0 "[ . 1 . 2]" 1
1401 1 59 TYR QE 1 61 LYS H 1.800 . 5.000 4.546 3.917 4.833 . 0 0 "[ . 1 . 2]" 1
1402 1 59 TYR QE 1 61 LYS HA 1.800 . 3.000 2.846 2.138 3.036 0.036 9 0 "[ . 1 . 2]" 1
1403 1 61 LYS HA 1 64 PHE QD 1.800 . 5.000 4.025 3.603 4.578 . 0 0 "[ . 1 . 2]" 1
1404 1 59 TYR QE 1 61 LYS HB3 1.800 . 6.000 4.445 3.813 4.871 . 0 0 "[ . 1 . 2]" 1
1405 1 59 TYR QE 1 61 LYS HB2 1.800 . 6.000 4.928 4.382 5.257 . 0 0 "[ . 1 . 2]" 1
1406 1 59 TYR QE 1 61 LYS QB 1.800 . 5.500 4.130 3.605 4.462 . 0 0 "[ . 1 . 2]" 1
1407 1 59 TYR QE 1 61 LYS QD 1.800 . 4.500 2.794 1.935 4.047 . 0 0 "[ . 1 . 2]" 1
1408 1 59 TYR QE 1 61 LYS QE 1.800 . 4.500 3.230 1.807 4.012 . 0 0 "[ . 1 . 2]" 1
1409 1 59 TYR QE 1 61 LYS QG 1.800 . 4.000 2.551 1.975 3.418 . 0 0 "[ . 1 . 2]" 1
1410 1 59 TYR QD 1 63 GLN H 1.800 . 5.500 5.356 5.012 5.535 0.035 6 0 "[ . 1 . 2]" 1
1411 1 63 GLN H 1 64 PHE QD 1.800 . 5.000 3.964 3.739 4.142 . 0 0 "[ . 1 . 2]" 1
1412 1 63 GLN HB3 1 64 PHE QE 1.800 . 5.000 4.885 4.521 5.009 0.009 9 0 "[ . 1 . 2]" 1
1413 1 63 GLN HB2 1 64 PHE QE 1.800 . 5.000 4.464 3.877 4.803 . 0 0 "[ . 1 . 2]" 1
1414 1 59 TYR QD 1 64 PHE H 1.800 . 4.500 4.130 3.954 4.310 . 0 0 "[ . 1 . 2]" 1
1415 1 64 PHE H 1 64 PHE QD 1.800 . 3.500 2.352 2.026 2.704 . 0 0 "[ . 1 . 2]" 1
1416 1 59 TYR QE 1 64 PHE HA 1.800 . 6.000 5.889 5.445 6.029 0.029 6 0 "[ . 1 . 2]" 1
1417 1 64 PHE HA 1 64 PHE QD 1.800 . 3.500 3.000 2.723 3.082 . 0 0 "[ . 1 . 2]" 1
1418 1 59 TYR QE 1 64 PHE QB 1.800 . 4.000 3.026 2.605 3.304 . 0 0 "[ . 1 . 2]" 1
1419 1 64 PHE HB3 1 64 PHE QD 1.800 . 3.000 2.289 2.266 2.333 . 0 0 "[ . 1 . 2]" 1
1420 1 64 PHE HB2 1 64 PHE QD 1.800 . 3.000 2.563 2.453 2.703 . 0 0 "[ . 1 . 2]" 1
1421 1 59 TYR QE 1 65 VAL H 1.800 . 5.500 4.950 3.947 5.509 0.009 6 0 "[ . 1 . 2]" 1
1422 1 64 PHE QD 1 65 VAL H 1.800 . 5.500 4.378 4.215 4.547 . 0 0 "[ . 1 . 2]" 1
1423 1 4 PHE H 1 4 PHE QE 1.800 . 6.000 4.880 4.634 5.319 . 0 0 "[ . 1 . 2]" 1
1424 1 4 PHE QE 1 46 ALA H 1.800 . 5.500 3.965 3.506 4.784 . 0 0 "[ . 1 . 2]" 1
1425 1 4 PHE QE 1 57 VAL H 1.800 . 4.500 4.189 3.936 4.505 0.005 10 0 "[ . 1 . 2]" 1
1426 1 4 PHE HZ 1 45 VAL MG1 1.800 . 3.500 3.269 1.902 3.502 0.002 1 0 "[ . 1 . 2]" 1
1427 1 4 PHE HZ 1 45 VAL MG2 1.800 . 3.500 2.401 2.070 3.526 0.026 8 0 "[ . 1 . 2]" 1
1428 1 4 PHE HZ 1 45 VAL QG 1.800 . 3.000 2.209 1.895 2.544 . 0 0 "[ . 1 . 2]" 1
1429 1 4 PHE QE 1 54 ILE HB 1.800 . 4.000 3.576 3.305 3.996 . 0 0 "[ . 1 . 2]" 1
1430 1 4 PHE QE 1 54 ILE MG 1.800 . 5.500 4.031 3.534 4.790 . 0 0 "[ . 1 . 2]" 1
1431 1 4 PHE QE 1 54 ILE MD 1.800 . 3.500 3.029 2.565 3.497 . 0 0 "[ . 1 . 2]" 1
1432 1 4 PHE QE 1 56 LYS HA 1.800 . 3.500 2.338 2.038 2.706 . 0 0 "[ . 1 . 2]" 1
1433 1 4 PHE QE 1 56 LYS QE 1.800 . 5.500 4.629 3.084 5.140 . 0 0 "[ . 1 . 2]" 1
1434 1 4 PHE QE 1 56 LYS QG 1.800 . 4.500 3.419 2.190 4.504 0.004 5 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 6
_Distance_constraint_stats_list.Viol_count 120
_Distance_constraint_stats_list.Viol_total 80.673
_Distance_constraint_stats_list.Viol_max 0.063
_Distance_constraint_stats_list.Viol_rms 0.0123
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0336
_Distance_constraint_stats_list.Viol_average_violations_only 0.0336
_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 26 CYS 1.914 0.063 19 0 "[ . 1 . 2]"
1 28 CYS 1.864 0.058 3 0 "[ . 1 . 2]"
1 48 CYS 2.543 0.063 19 0 "[ . 1 . 2]"
1 51 CYS 1.745 0.050 5 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 26 CYS SG 1 28 CYS SG 3.600 3.600 3.900 3.923 3.913 3.934 0.034 17 0 "[ . 1 . 2]" 2
2 1 26 CYS SG 1 48 CYS SG 3.600 3.600 3.900 3.947 3.934 3.963 0.063 19 0 "[ . 1 . 2]" 2
3 1 26 CYS SG 1 51 CYS SG 3.600 3.600 3.900 3.926 3.912 3.947 0.047 2 0 "[ . 1 . 2]" 2
4 1 28 CYS SG 1 48 CYS SG 3.600 3.600 3.900 3.944 3.930 3.958 0.058 3 0 "[ . 1 . 2]" 2
5 1 28 CYS SG 1 51 CYS SG 3.600 3.600 3.900 3.926 3.907 3.939 0.039 20 0 "[ . 1 . 2]" 2
6 1 48 CYS SG 1 51 CYS SG 3.600 3.600 3.900 3.936 3.925 3.950 0.050 5 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 20
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ILE 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 8 VAL H 1 56 LYS O 2.000 . 2.700 1.916 1.719 2.174 . 0 0 "[ . 1 . 2]" 3
2 1 8 VAL N 1 56 LYS O 3.000 2.400 3.700 2.879 2.687 3.145 . 0 0 "[ . 1 . 2]" 3
3 1 10 ILE H 1 58 ILE O 2.000 . 2.700 1.654 1.631 1.680 . 0 0 "[ . 1 . 2]" 3
4 1 10 ILE N 1 58 ILE O 3.000 2.400 3.700 2.576 2.557 2.616 . 0 0 "[ . 1 . 2]" 3
5 1 14 GLN H 1 23 PHE O 2.000 . 2.700 2.199 1.786 2.518 . 0 0 "[ . 1 . 2]" 3
6 1 14 GLN N 1 23 PHE O 3.000 2.400 3.700 3.124 2.766 3.433 . 0 0 "[ . 1 . 2]" 3
7 1 22 TYR H 1 34 ILE O 2.000 . 2.700 1.747 1.671 1.829 . 0 0 "[ . 1 . 2]" 3
8 1 22 TYR N 1 34 ILE O 3.000 2.400 3.700 2.711 2.649 2.790 . 0 0 "[ . 1 . 2]" 3
9 1 24 TYR H 1 32 PHE O 2.000 . 2.700 2.322 2.125 2.567 . 0 0 "[ . 1 . 2]" 3
10 1 24 TYR N 1 32 PHE O 3.000 2.400 3.700 3.196 3.030 3.374 . 0 0 "[ . 1 . 2]" 3
11 1 24 TYR O 1 32 PHE H 2.000 . 2.700 1.814 1.744 1.914 . 0 0 "[ . 1 . 2]" 3
12 1 24 TYR O 1 32 PHE N 3.000 2.400 3.700 2.650 2.589 2.711 . 0 0 "[ . 1 . 2]" 3
13 1 22 TYR O 1 34 ILE H 2.000 . 2.700 1.892 1.815 1.989 . 0 0 "[ . 1 . 2]" 3
14 1 22 TYR O 1 34 ILE N 3.000 2.400 3.700 2.729 2.659 2.848 . 0 0 "[ . 1 . 2]" 3
15 1 46 ALA H 1 55 ILE O 2.000 . 2.700 2.138 2.061 2.322 . 0 0 "[ . 1 . 2]" 3
16 1 46 ALA N 1 55 ILE O 3.000 2.400 3.700 3.059 2.992 3.236 . 0 0 "[ . 1 . 2]" 3
17 1 46 ALA O 1 55 ILE H 2.000 . 2.700 2.547 2.481 2.680 . 0 0 "[ . 1 . 2]" 3
18 1 46 ALA O 1 55 ILE N 3.000 2.400 3.700 3.286 3.171 3.386 . 0 0 "[ . 1 . 2]" 3
19 1 8 VAL O 1 58 ILE H 2.000 . 2.700 1.911 1.722 2.050 . 0 0 "[ . 1 . 2]" 3
20 1 8 VAL O 1 58 ILE N 3.000 2.400 3.700 2.884 2.697 3.026 . 0 0 "[ . 1 . 2]" 3
stop_
save_
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