NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
494342 |
2l7q   |
17370 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l7q
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 1250
_Distance_constraint_stats_list.Viol_count 663
_Distance_constraint_stats_list.Viol_total 493.216
_Distance_constraint_stats_list.Viol_max 0.294
_Distance_constraint_stats_list.Viol_rms 0.0084
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0372
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ASN 0.021 0.021 10 0 "[ . 1 . 2]"
1 3 GLU 0.051 0.030 3 0 "[ . 1 . 2]"
1 4 LEU 0.238 0.092 20 0 "[ . 1 . 2]"
1 5 ASP 0.008 0.008 12 0 "[ . 1 . 2]"
1 6 ILE 0.353 0.105 2 0 "[ . 1 . 2]"
1 7 GLN 0.340 0.074 19 0 "[ . 1 . 2]"
1 8 GLN 0.021 0.020 19 0 "[ . 1 . 2]"
1 9 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 PRO 0.072 0.042 12 0 "[ . 1 . 2]"
1 12 PHE 0.258 0.112 17 0 "[ . 1 . 2]"
1 13 THR 0.036 0.024 18 0 "[ . 1 . 2]"
1 14 VAL 0.495 0.067 19 0 "[ . 1 . 2]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 SER 0.189 0.045 20 0 "[ . 1 . 2]"
1 17 MET 0.169 0.066 12 0 "[ . 1 . 2]"
1 18 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 VAL 0.725 0.079 6 0 "[ . 1 . 2]"
1 20 ALA 0.262 0.074 13 0 "[ . 1 . 2]"
1 21 ASP 0.359 0.294 15 0 "[ . 1 . 2]"
1 22 GLU 0.738 0.294 15 0 "[ . 1 . 2]"
1 23 ILE 0.919 0.094 18 0 "[ . 1 . 2]"
1 24 ALA 0.775 0.154 16 0 "[ . 1 . 2]"
1 25 GLY 0.274 0.131 1 0 "[ . 1 . 2]"
1 26 ASP 0.612 0.175 15 0 "[ . 1 . 2]"
1 27 GLU 1.495 0.176 16 0 "[ . 1 . 2]"
1 28 THR 0.358 0.176 16 0 "[ . 1 . 2]"
1 29 VAL 0.533 0.094 18 0 "[ . 1 . 2]"
1 30 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ILE 0.619 0.084 15 0 "[ . 1 . 2]"
1 32 ARG 0.688 0.136 4 0 "[ . 1 . 2]"
1 33 LEU 1.231 0.136 4 0 "[ . 1 . 2]"
1 34 GLU 0.878 0.117 6 0 "[ . 1 . 2]"
1 35 ILE 0.702 0.103 6 0 "[ . 1 . 2]"
1 36 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 PRO 0.281 0.067 17 0 "[ . 1 . 2]"
1 38 SER 0.208 0.112 17 0 "[ . 1 . 2]"
1 39 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 PHE 0.100 0.055 6 0 "[ . 1 . 2]"
1 42 ILE 0.440 0.128 15 0 "[ . 1 . 2]"
1 43 GLY 0.301 0.128 15 0 "[ . 1 . 2]"
1 44 THR 0.512 0.233 18 0 "[ . 1 . 2]"
1 45 VAL 0.626 0.099 6 0 "[ . 1 . 2]"
1 46 TYR 1.129 0.109 7 0 "[ . 1 . 2]"
1 47 THR 0.848 0.145 3 0 "[ . 1 . 2]"
1 48 LEU 0.599 0.184 7 0 "[ . 1 . 2]"
1 49 ARG 0.771 0.121 4 0 "[ . 1 . 2]"
1 50 TYR 0.360 0.069 4 0 "[ . 1 . 2]"
1 51 PHE 0.239 0.047 6 0 "[ . 1 . 2]"
1 52 GLN 0.182 0.046 2 0 "[ . 1 . 2]"
1 53 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ASP 0.289 0.098 13 0 "[ . 1 . 2]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 LYS 0.262 0.072 9 0 "[ . 1 . 2]"
1 57 GLY 0.158 0.094 11 0 "[ . 1 . 2]"
1 58 SER 0.083 0.081 16 0 "[ . 1 . 2]"
1 59 LEU 1.001 0.069 4 0 "[ . 1 . 2]"
1 60 LYS 0.449 0.083 5 0 "[ . 1 . 2]"
1 61 MET 0.722 0.085 10 0 "[ . 1 . 2]"
1 62 GLU 0.611 0.120 8 0 "[ . 1 . 2]"
1 63 ASP 0.239 0.120 8 0 "[ . 1 . 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 THR 0.090 0.044 18 0 "[ . 1 . 2]"
1 66 VAL 0.207 0.038 2 0 "[ . 1 . 2]"
1 67 LEU 0.702 0.085 10 0 "[ . 1 . 2]"
1 68 LYS 0.325 0.071 10 0 "[ . 1 . 2]"
1 69 PRO 0.068 0.037 13 0 "[ . 1 . 2]"
1 70 ASN 0.553 0.121 4 0 "[ . 1 . 2]"
1 71 ASP 0.191 0.138 5 0 "[ . 1 . 2]"
1 72 ARG 0.671 0.145 3 0 "[ . 1 . 2]"
1 73 TYR 0.481 0.184 7 0 "[ . 1 . 2]"
1 74 LEU 0.968 0.109 7 0 "[ . 1 . 2]"
1 75 LEU 0.801 0.164 12 0 "[ . 1 . 2]"
1 76 ASN 0.457 0.164 12 0 "[ . 1 . 2]"
1 77 GLU 0.390 0.160 3 0 "[ . 1 . 2]"
1 78 TRP 0.796 0.130 6 0 "[ . 1 . 2]"
1 79 LYS 0.625 0.126 5 0 "[ . 1 . 2]"
1 80 PHE 0.478 0.126 5 0 "[ . 1 . 2]"
1 81 ARG 0.373 0.114 20 0 "[ . 1 . 2]"
1 82 LEU 0.523 0.074 6 0 "[ . 1 . 2]"
1 83 TYR 0.185 0.083 5 0 "[ . 1 . 2]"
1 84 TYR 0.131 0.040 19 0 "[ . 1 . 2]"
1 85 THR 0.308 0.107 1 0 "[ . 1 . 2]"
1 86 SER 0.465 0.124 5 0 "[ . 1 . 2]"
1 87 GLN 0.595 0.124 5 0 "[ . 1 . 2]"
1 88 SER 0.219 0.072 9 0 "[ . 1 . 2]"
1 89 ASP 0.487 0.222 4 0 "[ . 1 . 2]"
1 90 LYS 0.487 0.161 10 0 "[ . 1 . 2]"
1 91 GLU 0.153 0.058 1 0 "[ . 1 . 2]"
1 92 ALA 0.412 0.075 10 0 "[ . 1 . 2]"
1 93 GLN 0.607 0.092 8 0 "[ . 1 . 2]"
1 94 THR 0.290 0.098 13 0 "[ . 1 . 2]"
1 95 ILE 0.417 0.066 17 0 "[ . 1 . 2]"
1 96 ASP 0.188 0.056 17 0 "[ . 1 . 2]"
1 97 LEU 0.266 0.034 7 0 "[ . 1 . 2]"
1 98 TYR 0.744 0.073 10 0 "[ . 1 . 2]"
1 99 PHE 0.142 0.029 12 0 "[ . 1 . 2]"
1 100 GLU 0.382 0.181 6 0 "[ . 1 . 2]"
1 101 ASP 0.461 0.233 18 0 "[ . 1 . 2]"
1 102 ASN 0.691 0.122 10 0 "[ . 1 . 2]"
1 103 TRP 0.846 0.122 10 0 "[ . 1 . 2]"
1 104 GLY 0.157 0.098 5 0 "[ . 1 . 2]"
1 105 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 LEU 0.648 0.181 6 0 "[ . 1 . 2]"
1 107 GLN 0.322 0.067 19 0 "[ . 1 . 2]"
1 108 GLN 0.075 0.040 19 0 "[ . 1 . 2]"
1 109 LEU 0.401 0.068 17 0 "[ . 1 . 2]"
1 110 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 TYR 0.198 0.030 4 0 "[ . 1 . 2]"
1 112 ASP 0.023 0.022 5 0 "[ . 1 . 2]"
1 113 PHE 0.538 0.107 2 0 "[ . 1 . 2]"
1 114 ASN 0.637 0.081 10 0 "[ . 1 . 2]"
1 115 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 LYS 0.714 0.199 16 0 "[ . 1 . 2]"
1 117 LEU 0.241 0.080 8 0 "[ . 1 . 2]"
1 118 GLU 0.326 0.122 16 0 "[ . 1 . 2]"
1 119 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 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 2 ASN HA 1 3 GLU H 1.800 . 3.210 2.460 2.126 3.231 0.021 10 0 "[ . 1 . 2]" 1
2 1 2 ASN QB 1 3 GLU H 1.800 . 4.100 3.647 2.569 4.046 . 0 0 "[ . 1 . 2]" 1
3 1 3 GLU HA 1 3 GLU QG 1.800 . 3.880 2.749 2.319 3.505 . 0 0 "[ . 1 . 2]" 1
4 1 3 GLU H 1 3 GLU QB 1.800 . 3.360 2.603 2.116 3.350 . 0 0 "[ . 1 . 2]" 1
5 1 3 GLU H 1 3 GLU QG 1.800 . 4.750 3.024 1.770 4.080 0.030 3 0 "[ . 1 . 2]" 1
6 1 3 GLU HA 1 4 LEU H 1.800 . 3.600 2.882 2.109 3.592 . 0 0 "[ . 1 . 2]" 1
7 1 3 GLU QG 1 4 LEU H 1.800 . 4.930 3.992 2.484 4.824 . 0 0 "[ . 1 . 2]" 1
8 1 3 GLU H 1 4 LEU H 1.800 . 4.800 3.521 2.367 4.576 . 0 0 "[ . 1 . 2]" 1
9 1 4 LEU HA 1 4 LEU MD1 1.800 . 4.480 3.175 1.842 3.857 . 0 0 "[ . 1 . 2]" 1
10 1 4 LEU HA 1 4 LEU MD2 1.800 . 3.800 2.731 1.894 3.850 0.050 16 0 "[ . 1 . 2]" 1
11 1 4 LEU HB3 1 4 LEU MD1 1.800 . 3.750 2.669 2.331 3.203 . 0 0 "[ . 1 . 2]" 1
12 1 4 LEU HB3 1 4 LEU MD2 1.800 . 3.630 2.465 2.204 3.204 . 0 0 "[ . 1 . 2]" 1
13 1 4 LEU HB2 1 4 LEU MD1 1.800 . 3.750 2.464 2.286 3.203 . 0 0 "[ . 1 . 2]" 1
14 1 4 LEU HB2 1 4 LEU MD2 1.800 . 3.630 2.807 2.279 3.203 . 0 0 "[ . 1 . 2]" 1
15 1 4 LEU H 1 4 LEU HB3 1.800 . 4.150 3.718 2.522 4.118 . 0 0 "[ . 1 . 2]" 1
16 1 4 LEU H 1 4 LEU HB2 1.800 . 4.150 2.779 2.316 3.638 . 0 0 "[ . 1 . 2]" 1
17 1 4 LEU H 1 4 LEU MD1 1.800 . 5.000 3.486 2.070 4.558 . 0 0 "[ . 1 . 2]" 1
18 1 4 LEU H 1 4 LEU MD2 1.800 . 4.250 3.424 2.052 4.342 0.092 20 0 "[ . 1 . 2]" 1
19 1 4 LEU H 1 4 LEU HG 1.800 . 4.500 3.482 2.408 4.572 0.072 6 0 "[ . 1 . 2]" 1
20 1 4 LEU HA 1 5 ASP H 1.800 . 3.600 2.667 2.124 3.588 . 0 0 "[ . 1 . 2]" 1
21 1 4 LEU HB3 1 5 ASP H 1.800 . 4.640 3.525 1.908 4.433 . 0 0 "[ . 1 . 2]" 1
22 1 4 LEU HB2 1 5 ASP H 1.800 . 4.640 3.847 1.792 4.519 0.008 12 0 "[ . 1 . 2]" 1
23 1 5 ASP H 1 5 ASP QB 1.800 . 3.920 2.619 2.276 3.115 . 0 0 "[ . 1 . 2]" 1
24 1 5 ASP HA 1 6 ILE H 1.800 . 3.600 2.680 2.076 3.569 . 0 0 "[ . 1 . 2]" 1
25 1 5 ASP QB 1 6 ILE H 1.800 . 4.550 3.342 2.216 4.046 . 0 0 "[ . 1 . 2]" 1
26 1 5 ASP H 1 6 ILE H 1.800 . 4.800 3.566 1.874 4.629 . 0 0 "[ . 1 . 2]" 1
27 1 6 ILE HA 1 6 ILE MD 1.800 . 4.300 3.553 1.957 4.204 . 0 0 "[ . 1 . 2]" 1
28 1 6 ILE HA 1 6 ILE QG 1.800 . 3.620 2.920 2.322 3.485 . 0 0 "[ . 1 . 2]" 1
29 1 6 ILE HA 1 6 ILE MG 1.800 . 3.400 2.460 2.221 3.213 . 0 0 "[ . 1 . 2]" 1
30 1 6 ILE QG 1 6 ILE MG 1.800 . 3.480 2.255 2.079 2.374 . 0 0 "[ . 1 . 2]" 1
31 1 6 ILE H 1 6 ILE HB 1.800 . 4.000 3.154 2.379 3.868 . 0 0 "[ . 1 . 2]" 1
32 1 6 ILE H 1 6 ILE MD 1.800 . 4.790 3.428 1.695 4.403 0.105 2 0 "[ . 1 . 2]" 1
33 1 6 ILE H 1 6 ILE QG 1.800 . 4.100 2.575 1.757 4.107 0.043 6 0 "[ . 1 . 2]" 1
34 1 6 ILE H 1 6 ILE MG 1.800 . 4.370 3.089 1.923 4.038 . 0 0 "[ . 1 . 2]" 1
35 1 6 ILE HB 1 7 GLN H 1.800 . 4.440 3.636 1.727 4.451 0.073 7 0 "[ . 1 . 2]" 1
36 1 6 ILE QG 1 7 GLN H 1.800 . 4.700 4.033 2.843 4.482 . 0 0 "[ . 1 . 2]" 1
37 1 6 ILE MG 1 7 GLN H 1.800 . 4.280 3.486 2.335 4.338 0.058 2 0 "[ . 1 . 2]" 1
38 1 6 ILE H 1 7 GLN H 1.800 . 4.600 3.851 2.260 4.599 . 0 0 "[ . 1 . 2]" 1
39 1 7 GLN HA 1 7 GLN QG 1.800 . 3.770 2.850 2.348 3.521 . 0 0 "[ . 1 . 2]" 1
40 1 7 GLN QB 1 7 GLN QE 1.800 . 4.100 2.988 1.739 3.703 0.061 10 0 "[ . 1 . 2]" 1
41 1 7 GLN QB 1 7 GLN QG 1.800 . 2.440 2.051 1.992 2.085 . 0 0 "[ . 1 . 2]" 1
42 1 7 GLN H 1 7 GLN QB 1.800 . 3.360 2.670 2.214 3.330 . 0 0 "[ . 1 . 2]" 1
43 1 7 GLN H 1 7 GLN QG 1.800 . 4.400 2.986 1.834 4.474 0.074 19 0 "[ . 1 . 2]" 1
44 1 7 GLN HA 1 8 GLN H 1.800 . 3.600 2.445 2.092 3.550 . 0 0 "[ . 1 . 2]" 1
45 1 7 GLN QB 1 8 GLN H 1.800 . 4.000 3.398 2.245 4.020 0.020 19 0 "[ . 1 . 2]" 1
46 1 8 GLN HA 1 8 GLN QG 1.800 . 3.730 2.751 2.312 3.348 . 0 0 "[ . 1 . 2]" 1
47 1 8 GLN H 1 8 GLN QG 1.800 . 4.810 2.898 2.015 4.447 . 0 0 "[ . 1 . 2]" 1
48 1 8 GLN HA 1 9 GLU H 1.800 . 3.680 2.699 2.095 3.547 . 0 0 "[ . 1 . 2]" 1
49 1 8 GLN QB 1 9 GLU H 1.800 . 4.100 2.964 1.844 3.936 . 0 0 "[ . 1 . 2]" 1
50 1 9 GLU HA 1 9 GLU QG 1.800 . 3.930 2.663 2.353 3.347 . 0 0 "[ . 1 . 2]" 1
51 1 9 GLU H 1 9 GLU QB 1.800 . 3.600 2.648 2.263 3.398 . 0 0 "[ . 1 . 2]" 1
52 1 9 GLU H 1 9 GLU QG 1.800 . 4.800 3.214 2.083 4.296 . 0 0 "[ . 1 . 2]" 1
53 1 9 GLU HA 1 10 TYR H 1.800 . 3.860 2.633 2.124 3.521 . 0 0 "[ . 1 . 2]" 1
54 1 10 TYR H 1 10 TYR QB 1.800 . 3.380 2.816 2.242 3.367 . 0 0 "[ . 1 . 2]" 1
55 1 10 TYR H 1 10 TYR QD 1.800 . 4.550 3.602 2.261 4.512 . 0 0 "[ . 1 . 2]" 1
56 1 11 PRO QB 1 12 PHE H 1.800 . 4.270 3.007 1.785 4.022 0.015 10 0 "[ . 1 . 2]" 1
57 1 11 PRO QG 1 12 PHE H 1.800 . 4.900 3.741 2.568 4.693 . 0 0 "[ . 1 . 2]" 1
58 1 11 PRO QB 1 38 SER QB 1.800 . 5.400 4.096 2.061 5.442 0.042 12 0 "[ . 1 . 2]" 1
59 1 12 PHE HA 1 12 PHE QD 1.800 . 4.530 3.503 2.606 3.755 . 0 0 "[ . 1 . 2]" 1
60 1 12 PHE H 1 12 PHE QD 1.800 . 4.450 3.037 1.803 4.474 0.024 1 0 "[ . 1 . 2]" 1
61 1 12 PHE HA 1 13 THR H 1.800 . 3.840 2.282 2.129 2.620 . 0 0 "[ . 1 . 2]" 1
62 1 12 PHE HB3 1 13 THR H 1.800 . 4.500 4.035 3.585 4.445 . 0 0 "[ . 1 . 2]" 1
63 1 12 PHE HB2 1 13 THR H 1.800 . 4.600 3.163 2.100 4.529 . 0 0 "[ . 1 . 2]" 1
64 1 12 PHE QD 1 13 THR H 1.800 . 4.520 3.745 2.871 4.532 0.012 12 0 "[ . 1 . 2]" 1
65 1 12 PHE QD 1 14 VAL MG2 1.800 . 4.640 2.828 2.078 3.807 . 0 0 "[ . 1 . 2]" 1
66 1 12 PHE QE 1 14 VAL MG2 1.800 . 4.400 2.614 2.092 3.844 . 0 0 "[ . 1 . 2]" 1
67 1 12 PHE QD 1 35 ILE MG 1.800 . 4.750 2.934 1.895 4.327 . 0 0 "[ . 1 . 2]" 1
68 1 12 PHE QE 1 35 ILE MG 1.800 . 6.040 3.626 2.088 5.596 . 0 0 "[ . 1 . 2]" 1
69 1 12 PHE QB 1 37 PRO HB3 1.800 . 6.000 3.836 2.458 5.934 . 0 0 "[ . 1 . 2]" 1
70 1 12 PHE QB 1 37 PRO HB2 1.800 . 6.000 4.534 3.338 6.067 0.067 17 0 "[ . 1 . 2]" 1
71 1 12 PHE QD 1 37 PRO HA 1.800 . 5.250 4.045 1.772 4.912 0.028 10 0 "[ . 1 . 2]" 1
72 1 12 PHE HA 1 38 SER H 1.800 . 4.600 3.138 2.138 4.367 . 0 0 "[ . 1 . 2]" 1
73 1 12 PHE QB 1 38 SER H 1.800 . 4.960 3.451 2.096 5.072 0.112 17 0 "[ . 1 . 2]" 1
74 1 13 THR HA 1 13 THR MG 1.800 . 3.520 2.404 2.264 3.216 . 0 0 "[ . 1 . 2]" 1
75 1 13 THR H 1 13 THR MG 1.800 . 4.230 3.759 2.500 3.986 . 0 0 "[ . 1 . 2]" 1
76 1 13 THR HA 1 14 VAL H 1.800 . 3.190 2.160 2.127 2.216 . 0 0 "[ . 1 . 2]" 1
77 1 13 THR HB 1 14 VAL H 1.800 . 4.600 4.072 3.098 4.233 . 0 0 "[ . 1 . 2]" 1
78 1 13 THR MG 1 14 VAL H 1.800 . 4.140 2.796 2.567 3.939 . 0 0 "[ . 1 . 2]" 1
79 1 13 THR HB 1 36 LYS QD 1.800 . 5.220 3.555 2.025 5.187 . 0 0 "[ . 1 . 2]" 1
80 1 13 THR MG 1 36 LYS QD 1.800 . 5.520 3.924 2.307 5.288 . 0 0 "[ . 1 . 2]" 1
81 1 13 THR H 1 36 LYS H 1.800 . 5.060 3.338 2.807 3.868 . 0 0 "[ . 1 . 2]" 1
82 1 13 THR H 1 37 PRO HA 1.800 . 4.580 3.701 2.979 4.604 0.024 18 0 "[ . 1 . 2]" 1
83 1 14 VAL HA 1 14 VAL MG1 1.800 . 3.810 2.373 2.299 2.410 . 0 0 "[ . 1 . 2]" 1
84 1 14 VAL HA 1 14 VAL MG2 1.800 . 4.440 2.422 2.392 2.477 . 0 0 "[ . 1 . 2]" 1
85 1 14 VAL H 1 14 VAL HB 1.800 . 3.530 2.600 2.536 2.728 . 0 0 "[ . 1 . 2]" 1
86 1 14 VAL H 1 14 VAL MG1 1.800 . 4.510 3.830 3.791 3.889 . 0 0 "[ . 1 . 2]" 1
87 1 14 VAL H 1 14 VAL MG2 1.800 . 3.760 2.453 2.241 2.797 . 0 0 "[ . 1 . 2]" 1
88 1 14 VAL HA 1 15 GLU H 1.800 . 3.380 2.147 2.116 2.185 . 0 0 "[ . 1 . 2]" 1
89 1 14 VAL HB 1 15 GLU H 1.800 . 5.070 4.310 4.171 4.394 . 0 0 "[ . 1 . 2]" 1
90 1 14 VAL MG1 1 15 GLU H 1.800 . 3.810 3.026 2.675 3.254 . 0 0 "[ . 1 . 2]" 1
91 1 14 VAL MG2 1 15 GLU H 1.800 . 4.920 4.175 4.045 4.247 . 0 0 "[ . 1 . 2]" 1
92 1 14 VAL H 1 15 GLU H 1.800 . 4.970 4.264 4.036 4.421 . 0 0 "[ . 1 . 2]" 1
93 1 14 VAL MG1 1 16 SER QB 1.800 . 4.700 3.560 2.845 4.609 . 0 0 "[ . 1 . 2]" 1
94 1 14 VAL MG1 1 33 LEU MD1 1.800 . 4.600 2.685 1.878 3.911 . 0 0 "[ . 1 . 2]" 1
95 1 14 VAL MG1 1 33 LEU MD2 1.800 . 5.300 3.599 2.525 5.340 0.040 7 0 "[ . 1 . 2]" 1
96 1 14 VAL MG1 1 34 GLU H 1.800 . 5.070 4.201 3.752 4.530 . 0 0 "[ . 1 . 2]" 1
97 1 14 VAL HA 1 35 ILE HA 1.800 . 4.530 2.480 2.113 2.684 . 0 0 "[ . 1 . 2]" 1
98 1 14 VAL HA 1 35 ILE QG 1.800 . 4.760 2.980 2.200 3.716 . 0 0 "[ . 1 . 2]" 1
99 1 14 VAL HA 1 35 ILE MG 1.800 . 4.940 3.230 2.514 3.904 . 0 0 "[ . 1 . 2]" 1
100 1 14 VAL HB 1 35 ILE MG 1.800 . 5.610 5.010 4.240 5.652 0.042 13 0 "[ . 1 . 2]" 1
101 1 14 VAL MG1 1 35 ILE HA 1.800 . 4.860 3.653 3.046 4.032 . 0 0 "[ . 1 . 2]" 1
102 1 14 VAL MG1 1 35 ILE MD 1.800 . 4.750 3.251 2.581 3.956 . 0 0 "[ . 1 . 2]" 1
103 1 14 VAL MG1 1 35 ILE QG 1.800 . 5.040 2.381 1.777 3.006 0.023 4 0 "[ . 1 . 2]" 1
104 1 14 VAL MG1 1 35 ILE MG 1.800 . 4.430 3.712 2.779 4.241 . 0 0 "[ . 1 . 2]" 1
105 1 14 VAL MG2 1 35 ILE HA 1.800 . 4.510 3.550 3.055 3.969 . 0 0 "[ . 1 . 2]" 1
106 1 14 VAL MG2 1 35 ILE MD 1.800 . 4.500 3.335 2.299 4.483 . 0 0 "[ . 1 . 2]" 1
107 1 14 VAL MG2 1 35 ILE HG13 1.800 . 4.800 3.950 2.164 4.810 0.010 14 0 "[ . 1 . 2]" 1
108 1 14 VAL MG2 1 35 ILE HG12 1.800 . 4.800 2.892 2.090 4.044 . 0 0 "[ . 1 . 2]" 1
109 1 14 VAL MG2 1 35 ILE MG 1.800 . 3.940 2.491 1.799 3.149 0.001 4 0 "[ . 1 . 2]" 1
110 1 14 VAL HA 1 36 LYS H 1.800 . 4.550 3.466 2.826 4.097 . 0 0 "[ . 1 . 2]" 1
111 1 14 VAL MG2 1 36 LYS H 1.800 . 5.280 4.462 3.673 5.085 . 0 0 "[ . 1 . 2]" 1
112 1 14 VAL MG1 1 99 PHE QE 1.800 . 6.000 4.572 2.829 5.510 . 0 0 "[ . 1 . 2]" 1
113 1 14 VAL MG1 1 107 GLN QG 1.800 . 6.000 4.895 2.943 6.021 0.021 13 0 "[ . 1 . 2]" 1
114 1 14 VAL MG2 1 107 GLN QB 1.800 . 4.800 4.178 3.036 4.867 0.067 19 0 "[ . 1 . 2]" 1
115 1 14 VAL MG2 1 107 GLN QG 1.800 . 4.800 3.744 2.287 4.502 . 0 0 "[ . 1 . 2]" 1
116 1 14 VAL HB 1 109 LEU MD1 1.800 . 5.700 4.257 2.835 5.203 . 0 0 "[ . 1 . 2]" 1
117 1 14 VAL MG1 1 109 LEU MD1 1.800 . 3.650 2.205 1.756 3.062 0.044 14 0 "[ . 1 . 2]" 1
118 1 14 VAL MG1 1 109 LEU MD2 1.800 . 4.100 3.071 2.176 4.088 . 0 0 "[ . 1 . 2]" 1
119 1 14 VAL MG2 1 109 LEU MD1 1.800 . 4.110 3.531 3.029 4.134 0.024 9 0 "[ . 1 . 2]" 1
120 1 15 GLU HA 1 15 GLU QG 1.800 . 3.450 2.627 2.347 3.339 . 0 0 "[ . 1 . 2]" 1
121 1 15 GLU QB 1 15 GLU QG 1.800 . 2.500 2.050 1.994 2.087 . 0 0 "[ . 1 . 2]" 1
122 1 15 GLU H 1 15 GLU QB 1.800 . 3.560 2.501 2.263 2.978 . 0 0 "[ . 1 . 2]" 1
123 1 15 GLU H 1 15 GLU QG 1.800 . 4.310 3.040 1.949 4.093 . 0 0 "[ . 1 . 2]" 1
124 1 15 GLU HA 1 16 SER H 1.800 . 3.380 2.180 2.110 2.336 . 0 0 "[ . 1 . 2]" 1
125 1 15 GLU QB 1 16 SER H 1.800 . 3.900 3.210 2.546 3.757 . 0 0 "[ . 1 . 2]" 1
126 1 15 GLU H 1 16 SER H 1.800 . 4.960 4.413 4.239 4.508 . 0 0 "[ . 1 . 2]" 1
127 1 15 GLU H 1 34 GLU H 1.800 . 4.370 3.421 3.056 3.842 . 0 0 "[ . 1 . 2]" 1
128 1 15 GLU H 1 35 ILE QG 1.800 . 5.400 3.923 3.281 4.941 . 0 0 "[ . 1 . 2]" 1
129 1 16 SER H 1 16 SER QB 1.800 . 3.480 2.850 2.479 3.274 . 0 0 "[ . 1 . 2]" 1
130 1 16 SER HA 1 17 MET H 1.800 . 3.430 2.239 2.119 2.502 . 0 0 "[ . 1 . 2]" 1
131 1 16 SER QB 1 17 MET H 1.800 . 4.040 3.243 2.389 3.853 . 0 0 "[ . 1 . 2]" 1
132 1 16 SER H 1 17 MET H 1.800 . 5.170 4.273 3.998 4.513 . 0 0 "[ . 1 . 2]" 1
133 1 16 SER QB 1 31 ILE MG 1.800 . 5.000 4.079 2.649 4.885 . 0 0 "[ . 1 . 2]" 1
134 1 16 SER HA 1 33 LEU MD1 1.800 . 5.600 3.680 2.457 5.277 . 0 0 "[ . 1 . 2]" 1
135 1 16 SER HA 1 33 LEU MD2 1.800 . 6.000 4.484 2.207 5.791 . 0 0 "[ . 1 . 2]" 1
136 1 16 SER QB 1 33 LEU HA 1.800 . 4.950 3.539 2.382 4.962 0.012 6 0 "[ . 1 . 2]" 1
137 1 16 SER QB 1 33 LEU MD1 1.800 . 5.000 3.137 1.782 5.034 0.034 19 0 "[ . 1 . 2]" 1
138 1 16 SER QB 1 33 LEU MD2 1.800 . 4.800 3.866 2.015 4.845 0.045 20 0 "[ . 1 . 2]" 1
139 1 16 SER HA 1 34 GLU H 1.800 . 4.260 3.451 2.595 4.216 . 0 0 "[ . 1 . 2]" 1
140 1 16 SER QB 1 109 LEU MD1 1.800 . 5.000 4.077 3.162 4.844 . 0 0 "[ . 1 . 2]" 1
141 1 17 MET ME 1 17 MET QG 1.800 . 3.400 2.275 2.206 2.454 . 0 0 "[ . 1 . 2]" 1
142 1 17 MET H 1 17 MET QB 1.800 . 3.850 2.354 2.156 2.760 . 0 0 "[ . 1 . 2]" 1
143 1 17 MET H 1 17 MET QG 1.800 . 4.100 2.966 2.121 4.027 . 0 0 "[ . 1 . 2]" 1
144 1 17 MET ME 1 32 ARG QD 1.800 . 4.800 3.582 1.934 4.866 0.066 12 0 "[ . 1 . 2]" 1
145 1 17 MET QG 1 32 ARG QB 1.800 . 4.100 2.589 1.870 3.748 . 0 0 "[ . 1 . 2]" 1
146 1 17 MET QG 1 32 ARG QD 1.800 . 4.280 2.841 1.852 3.954 . 0 0 "[ . 1 . 2]" 1
147 1 17 MET QG 1 32 ARG H 1.800 . 5.870 3.991 2.527 5.053 . 0 0 "[ . 1 . 2]" 1
148 1 17 MET HG3 1 32 ARG HB3 1.800 . 5.700 3.613 2.217 5.417 . 0 0 "[ . 1 . 2]" 1
149 1 17 MET HG3 1 32 ARG HB2 1.800 . 5.330 3.738 1.970 5.358 0.028 3 0 "[ . 1 . 2]" 1
150 1 17 MET HG2 1 32 ARG HB3 1.800 . 5.330 3.579 1.999 5.352 0.022 10 0 "[ . 1 . 2]" 1
151 1 17 MET HG2 1 32 ARG HB2 1.800 . 5.330 3.734 2.360 4.876 . 0 0 "[ . 1 . 2]" 1
152 1 17 MET H 1 32 ARG QB 1.800 . 4.570 3.207 2.661 4.592 0.022 7 0 "[ . 1 . 2]" 1
153 1 17 MET H 1 32 ARG H 1.800 . 5.180 3.733 3.169 4.472 . 0 0 "[ . 1 . 2]" 1
154 1 18 PRO HA 1 19 VAL H 1.800 . 3.400 2.179 2.136 2.239 . 0 0 "[ . 1 . 2]" 1
155 1 18 PRO QB 1 19 VAL H 1.800 . 4.410 3.564 2.910 3.758 . 0 0 "[ . 1 . 2]" 1
156 1 19 VAL HA 1 19 VAL MG1 1.800 . 3.300 2.316 2.176 2.375 . 0 0 "[ . 1 . 2]" 1
157 1 19 VAL HA 1 19 VAL MG2 1.800 . 3.810 3.206 3.142 3.216 . 0 0 "[ . 1 . 2]" 1
158 1 19 VAL H 1 19 VAL HB 1.800 . 4.200 3.669 3.516 3.789 . 0 0 "[ . 1 . 2]" 1
159 1 19 VAL H 1 19 VAL MG1 1.800 . 3.610 2.614 2.345 2.942 . 0 0 "[ . 1 . 2]" 1
160 1 19 VAL H 1 19 VAL MG2 1.800 . 3.700 1.936 1.770 2.102 0.030 13 0 "[ . 1 . 2]" 1
161 1 19 VAL HA 1 20 ALA H 1.800 . 3.600 2.769 2.150 3.548 . 0 0 "[ . 1 . 2]" 1
162 1 19 VAL HB 1 20 ALA H 1.800 . 4.400 3.037 2.054 4.362 . 0 0 "[ . 1 . 2]" 1
163 1 19 VAL MG2 1 20 ALA H 1.800 . 4.200 3.174 1.726 4.247 0.074 13 0 "[ . 1 . 2]" 1
164 1 19 VAL HB 1 31 ILE HG13 1.800 . 5.180 4.715 3.777 5.203 0.023 13 0 "[ . 1 . 2]" 1
165 1 19 VAL HB 1 31 ILE HG12 1.800 . 5.180 3.856 2.953 5.179 . 0 0 "[ . 1 . 2]" 1
166 1 19 VAL MG1 1 31 ILE HA 1.800 . 3.840 2.387 1.735 2.978 0.065 6 0 "[ . 1 . 2]" 1
167 1 19 VAL MG1 1 31 ILE MD 1.800 . 4.090 3.329 2.803 4.050 . 0 0 "[ . 1 . 2]" 1
168 1 19 VAL MG1 1 31 ILE HG13 1.800 . 3.950 3.201 1.871 3.925 . 0 0 "[ . 1 . 2]" 1
169 1 19 VAL MG1 1 31 ILE HG12 1.800 . 3.950 2.292 1.768 3.951 0.032 10 0 "[ . 1 . 2]" 1
170 1 19 VAL MG1 1 31 ILE MG 1.800 . 3.610 2.584 1.942 3.610 0.000 8 0 "[ . 1 . 2]" 1
171 1 19 VAL MG1 1 31 ILE H 1.800 . 5.400 4.329 3.677 4.978 . 0 0 "[ . 1 . 2]" 1
172 1 19 VAL MG2 1 31 ILE HA 1.800 . 5.400 4.469 3.071 5.475 0.075 15 0 "[ . 1 . 2]" 1
173 1 19 VAL MG2 1 31 ILE MD 1.800 . 4.290 3.676 2.296 4.312 0.022 20 0 "[ . 1 . 2]" 1
174 1 19 VAL MG2 1 31 ILE HG13 1.800 . 5.600 4.496 2.414 5.612 0.012 20 0 "[ . 1 . 2]" 1
175 1 19 VAL MG2 1 31 ILE HG12 1.800 . 4.190 3.367 1.777 4.203 0.023 18 0 "[ . 1 . 2]" 1
176 1 19 VAL MG2 1 31 ILE MG 1.800 . 5.000 3.524 2.151 4.568 . 0 0 "[ . 1 . 2]" 1
177 1 19 VAL MG1 1 32 ARG H 1.800 . 4.300 3.482 2.532 4.170 . 0 0 "[ . 1 . 2]" 1
178 1 19 VAL MG1 1 111 TYR QD 1.800 . 5.250 4.431 3.257 5.250 0.000 14 0 "[ . 1 . 2]" 1
179 1 19 VAL MG1 1 111 TYR QE 1.800 . 5.000 4.284 3.022 5.016 0.016 17 0 "[ . 1 . 2]" 1
180 1 19 VAL MG2 1 111 TYR QD 1.800 . 3.880 2.907 2.341 3.669 . 0 0 "[ . 1 . 2]" 1
181 1 19 VAL MG2 1 111 TYR QE 1.800 . 4.600 3.457 2.985 4.580 . 0 0 "[ . 1 . 2]" 1
182 1 19 VAL HB 1 113 PHE QE 1.800 . 4.990 2.432 1.775 3.668 0.025 12 0 "[ . 1 . 2]" 1
183 1 19 VAL MG2 1 113 PHE QE 1.800 . 3.410 2.453 1.721 3.228 0.079 6 0 "[ . 1 . 2]" 1
184 1 20 ALA H 1 20 ALA MB 1.800 . 3.150 2.399 2.228 2.969 . 0 0 "[ . 1 . 2]" 1
185 1 20 ALA HA 1 21 ASP H 1.800 . 3.600 2.317 2.114 3.029 . 0 0 "[ . 1 . 2]" 1
186 1 20 ALA MB 1 21 ASP H 1.800 . 3.800 3.049 1.768 3.703 0.032 13 0 "[ . 1 . 2]" 1
187 1 20 ALA H 1 21 ASP H 1.800 . 5.170 4.237 2.882 4.635 . 0 0 "[ . 1 . 2]" 1
188 1 20 ALA MB 1 113 PHE QD 1.800 . 5.280 4.439 2.301 5.326 0.046 7 0 "[ . 1 . 2]" 1
189 1 20 ALA MB 1 113 PHE QE 1.800 . 5.580 4.554 2.829 5.584 0.004 16 0 "[ . 1 . 2]" 1
190 1 21 ASP H 1 21 ASP HB3 1.800 . 4.080 2.945 2.357 3.691 . 0 0 "[ . 1 . 2]" 1
191 1 21 ASP H 1 21 ASP HB2 1.800 . 4.080 3.101 2.247 3.893 . 0 0 "[ . 1 . 2]" 1
192 1 21 ASP HB3 1 22 GLU H 1.800 . 4.960 3.281 1.837 4.619 . 0 0 "[ . 1 . 2]" 1
193 1 21 ASP HB2 1 22 GLU H 1.800 . 4.960 3.755 2.522 4.326 . 0 0 "[ . 1 . 2]" 1
194 1 21 ASP H 1 22 GLU H 1.800 . 4.200 2.783 2.130 4.494 0.294 15 0 "[ . 1 . 2]" 1
195 1 22 GLU HA 1 22 GLU QG 1.800 . 3.950 2.897 2.293 3.482 . 0 0 "[ . 1 . 2]" 1
196 1 22 GLU H 1 22 GLU HB3 1.800 . 4.250 3.344 2.515 4.125 . 0 0 "[ . 1 . 2]" 1
197 1 22 GLU H 1 22 GLU HB2 1.800 . 4.250 3.325 2.513 4.120 . 0 0 "[ . 1 . 2]" 1
198 1 22 GLU H 1 22 GLU QG 1.800 . 4.600 2.832 1.744 4.275 0.056 19 0 "[ . 1 . 2]" 1
199 1 22 GLU HA 1 23 ILE H 1.800 . 3.420 2.281 2.109 2.634 . 0 0 "[ . 1 . 2]" 1
200 1 22 GLU HB3 1 23 ILE H 1.800 . 4.600 3.663 1.777 4.432 0.023 16 0 "[ . 1 . 2]" 1
201 1 22 GLU HB2 1 23 ILE H 1.800 . 4.600 3.655 2.164 4.564 . 0 0 "[ . 1 . 2]" 1
202 1 22 GLU QG 1 23 ILE H 1.800 . 4.650 3.802 1.998 4.723 0.073 9 0 "[ . 1 . 2]" 1
203 1 22 GLU H 1 23 ILE H 1.800 . 5.060 4.256 3.318 4.559 . 0 0 "[ . 1 . 2]" 1
204 1 22 GLU H 1 113 PHE QD 1.800 . 5.400 4.875 3.770 5.507 0.107 2 0 "[ . 1 . 2]" 1
205 1 22 GLU HA 1 114 ASN H 1.800 . 4.530 3.062 1.933 4.260 . 0 0 "[ . 1 . 2]" 1
206 1 23 ILE HA 1 23 ILE MD 1.800 . 4.380 3.522 1.951 3.843 . 0 0 "[ . 1 . 2]" 1
207 1 23 ILE HA 1 23 ILE QG 1.800 . 3.820 2.411 2.238 2.923 . 0 0 "[ . 1 . 2]" 1
208 1 23 ILE HB 1 23 ILE MD 1.800 . 3.440 2.538 2.338 3.243 . 0 0 "[ . 1 . 2]" 1
209 1 23 ILE QG 1 23 ILE MG 1.800 . 3.560 2.321 2.240 2.402 . 0 0 "[ . 1 . 2]" 1
210 1 23 ILE H 1 23 ILE MD 1.800 . 5.220 4.555 3.635 4.961 . 0 0 "[ . 1 . 2]" 1
211 1 23 ILE H 1 23 ILE QG 1.800 . 4.730 3.800 2.658 4.332 . 0 0 "[ . 1 . 2]" 1
212 1 23 ILE H 1 23 ILE MG 1.800 . 3.920 2.728 1.931 3.887 . 0 0 "[ . 1 . 2]" 1
213 1 23 ILE HA 1 24 ALA H 1.800 . 3.640 2.247 2.097 2.427 . 0 0 "[ . 1 . 2]" 1
214 1 23 ILE HB 1 24 ALA H 1.800 . 4.920 4.088 3.705 4.377 . 0 0 "[ . 1 . 2]" 1
215 1 23 ILE QG 1 24 ALA H 1.800 . 4.600 2.821 1.860 4.669 0.069 12 0 "[ . 1 . 2]" 1
216 1 23 ILE MG 1 24 ALA H 1.800 . 4.770 3.402 2.027 3.885 . 0 0 "[ . 1 . 2]" 1
217 1 23 ILE MD 1 29 VAL HB 1.800 . 4.790 4.145 3.267 4.797 0.007 12 0 "[ . 1 . 2]" 1
218 1 23 ILE MD 1 29 VAL MG1 1.800 . 5.000 2.760 1.831 4.403 . 0 0 "[ . 1 . 2]" 1
219 1 23 ILE MD 1 29 VAL MG2 1.800 . 4.200 2.272 1.774 3.104 0.026 13 0 "[ . 1 . 2]" 1
220 1 23 ILE MD 1 29 VAL H 1.800 . 4.800 3.623 2.253 4.492 . 0 0 "[ . 1 . 2]" 1
221 1 23 ILE QG 1 29 VAL MG2 1.800 . 4.740 3.562 2.146 4.738 . 0 0 "[ . 1 . 2]" 1
222 1 23 ILE MG 1 29 VAL MG1 1.800 . 5.600 4.346 2.472 5.694 0.094 18 0 "[ . 1 . 2]" 1
223 1 23 ILE MG 1 29 VAL MG2 1.800 . 5.140 4.138 3.231 5.168 0.028 2 0 "[ . 1 . 2]" 1
224 1 23 ILE MD 1 86 SER QB 1.800 . 4.100 2.791 1.770 4.135 0.035 14 0 "[ . 1 . 2]" 1
225 1 23 ILE MD 1 86 SER HG 1.800 . 5.000 2.816 1.780 4.261 0.020 16 0 "[ . 1 . 2]" 1
226 1 23 ILE MD 1 86 SER H 1.800 . 5.000 3.456 2.377 4.787 . 0 0 "[ . 1 . 2]" 1
227 1 23 ILE MG 1 86 SER HB3 1.800 . 5.050 3.671 2.198 4.807 . 0 0 "[ . 1 . 2]" 1
228 1 23 ILE MG 1 86 SER HB2 1.800 . 5.050 3.677 2.012 4.886 . 0 0 "[ . 1 . 2]" 1
229 1 23 ILE MG 1 86 SER HG 1.800 . 4.390 3.351 2.422 4.203 . 0 0 "[ . 1 . 2]" 1
230 1 23 ILE MG 1 93 GLN HE21 1.800 . 4.600 3.116 2.171 4.684 0.084 6 0 "[ . 1 . 2]" 1
231 1 23 ILE MG 1 93 GLN HE22 1.800 . 4.600 2.809 1.912 4.105 . 0 0 "[ . 1 . 2]" 1
232 1 23 ILE MG 1 93 GLN QG 1.800 . 4.800 3.953 3.193 4.889 0.089 14 0 "[ . 1 . 2]" 1
233 1 23 ILE MG 1 113 PHE HB3 1.800 . 5.000 2.624 1.821 4.266 . 0 0 "[ . 1 . 2]" 1
234 1 23 ILE MG 1 113 PHE HB2 1.800 . 5.000 3.352 2.381 4.974 . 0 0 "[ . 1 . 2]" 1
235 1 23 ILE MG 1 113 PHE QD 1.800 . 5.400 3.779 2.713 5.038 . 0 0 "[ . 1 . 2]" 1
236 1 23 ILE H 1 114 ASN QD 1.800 . 5.000 3.631 2.073 4.828 . 0 0 "[ . 1 . 2]" 1
237 1 23 ILE H 1 114 ASN HD21 1.800 . 5.400 4.114 2.524 5.400 . 0 0 "[ . 1 . 2]" 1
238 1 23 ILE H 1 114 ASN HD22 1.800 . 5.400 4.466 2.096 5.481 0.081 10 0 "[ . 1 . 2]" 1
239 1 23 ILE H 1 114 ASN H 1.800 . 5.110 3.592 2.881 4.929 . 0 0 "[ . 1 . 2]" 1
240 1 24 ALA H 1 24 ALA MB 1.800 . 3.320 2.311 2.218 2.570 . 0 0 "[ . 1 . 2]" 1
241 1 24 ALA HA 1 25 GLY H 1.800 . 3.600 2.827 2.262 3.574 . 0 0 "[ . 1 . 2]" 1
242 1 24 ALA MB 1 25 GLY H 1.800 . 4.200 2.558 1.862 3.655 . 0 0 "[ . 1 . 2]" 1
243 1 24 ALA MB 1 27 GLU HB3 1.800 . 4.300 3.587 2.706 4.454 0.154 16 0 "[ . 1 . 2]" 1
244 1 24 ALA MB 1 27 GLU HB2 1.800 . 4.300 2.784 1.755 4.289 0.045 20 0 "[ . 1 . 2]" 1
245 1 24 ALA MB 1 27 GLU QG 1.800 . 5.000 3.769 1.951 5.054 0.054 17 0 "[ . 1 . 2]" 1
246 1 24 ALA MB 1 27 GLU H 1.800 . 5.000 4.270 2.818 5.051 0.051 12 0 "[ . 1 . 2]" 1
247 1 24 ALA H 1 27 GLU HB3 1.800 . 4.800 3.026 2.143 4.802 0.002 16 0 "[ . 1 . 2]" 1
248 1 24 ALA H 1 27 GLU HB2 1.800 . 4.800 3.199 2.275 4.663 . 0 0 "[ . 1 . 2]" 1
249 1 25 GLY QA 1 26 ASP H 1.800 . 3.470 2.349 2.092 2.914 . 0 0 "[ . 1 . 2]" 1
250 1 25 GLY H 1 26 ASP H 1.800 . 4.600 3.805 2.448 4.622 0.022 9 0 "[ . 1 . 2]" 1
251 1 25 GLY QA 1 89 ASP HA 1.800 . 5.200 3.372 1.786 5.331 0.131 1 0 "[ . 1 . 2]" 1
252 1 25 GLY QA 1 89 ASP QB 1.800 . 5.320 3.389 1.808 5.367 0.047 10 0 "[ . 1 . 2]" 1
253 1 26 ASP HA 1 27 GLU H 1.800 . 3.830 2.841 2.219 3.526 . 0 0 "[ . 1 . 2]" 1
254 1 26 ASP QB 1 27 GLU H 1.800 . 4.200 3.612 1.649 4.036 0.151 15 0 "[ . 1 . 2]" 1
255 1 26 ASP H 1 27 GLU H 1.800 . 3.970 3.027 2.053 4.145 0.175 15 0 "[ . 1 . 2]" 1
256 1 26 ASP HA 1 85 THR MG 1.800 . 4.370 3.696 2.740 4.416 0.046 11 0 "[ . 1 . 2]" 1
257 1 26 ASP QB 1 85 THR MG 1.800 . 5.200 4.599 3.570 5.294 0.094 14 0 "[ . 1 . 2]" 1
258 1 27 GLU HA 1 27 GLU HG3 1.800 . 4.230 2.845 2.394 3.604 . 0 0 "[ . 1 . 2]" 1
259 1 27 GLU HA 1 27 GLU HG2 1.800 . 4.230 3.361 2.477 3.833 . 0 0 "[ . 1 . 2]" 1
260 1 27 GLU HB3 1 27 GLU QG 1.800 . 2.800 2.261 2.161 2.388 . 0 0 "[ . 1 . 2]" 1
261 1 27 GLU HB2 1 27 GLU QG 1.800 . 2.800 2.343 2.156 2.410 . 0 0 "[ . 1 . 2]" 1
262 1 27 GLU H 1 27 GLU HB3 1.800 . 3.730 2.749 2.390 3.800 0.070 16 0 "[ . 1 . 2]" 1
263 1 27 GLU H 1 27 GLU HB2 1.800 . 3.730 2.876 2.192 3.357 . 0 0 "[ . 1 . 2]" 1
264 1 27 GLU HA 1 28 THR H 1.800 . 3.230 2.269 2.135 2.678 . 0 0 "[ . 1 . 2]" 1
265 1 27 GLU HB3 1 28 THR H 1.800 . 4.830 3.781 1.837 4.270 . 0 0 "[ . 1 . 2]" 1
266 1 27 GLU HB2 1 28 THR H 1.800 . 4.830 3.989 3.037 4.320 . 0 0 "[ . 1 . 2]" 1
267 1 27 GLU HG3 1 28 THR H 1.800 . 4.400 2.834 2.304 4.576 0.176 16 0 "[ . 1 . 2]" 1
268 1 27 GLU HG2 1 28 THR H 1.800 . 4.400 3.364 2.438 4.413 0.013 19 0 "[ . 1 . 2]" 1
269 1 27 GLU H 1 28 THR H 1.800 . 5.320 4.455 4.008 4.617 . 0 0 "[ . 1 . 2]" 1
270 1 27 GLU H 1 86 SER QB 1.800 . 5.000 3.315 2.247 4.461 . 0 0 "[ . 1 . 2]" 1
271 1 27 GLU H 1 86 SER H 1.800 . 4.950 3.673 2.780 4.854 . 0 0 "[ . 1 . 2]" 1
272 1 28 THR HA 1 28 THR MG 1.800 . 3.970 2.371 2.316 2.421 . 0 0 "[ . 1 . 2]" 1
273 1 28 THR H 1 28 THR HB 1.800 . 3.700 2.649 2.535 2.792 . 0 0 "[ . 1 . 2]" 1
274 1 28 THR H 1 28 THR MG 1.800 . 4.360 3.860 3.798 3.925 . 0 0 "[ . 1 . 2]" 1
275 1 28 THR HA 1 29 VAL H 1.800 . 3.510 2.146 2.111 2.196 . 0 0 "[ . 1 . 2]" 1
276 1 28 THR HB 1 29 VAL H 1.800 . 5.170 4.235 4.048 4.335 . 0 0 "[ . 1 . 2]" 1
277 1 28 THR H 1 29 VAL H 1.800 . 5.310 4.287 4.160 4.438 . 0 0 "[ . 1 . 2]" 1
278 1 28 THR MG 1 83 TYR HA 1.800 . 4.370 3.289 2.951 3.837 . 0 0 "[ . 1 . 2]" 1
279 1 28 THR MG 1 83 TYR QB 1.800 . 4.410 2.417 2.073 3.085 . 0 0 "[ . 1 . 2]" 1
280 1 28 THR MG 1 83 TYR QD 1.800 . 4.020 2.437 1.801 2.878 . 0 0 "[ . 1 . 2]" 1
281 1 28 THR MG 1 84 TYR H 1.800 . 4.170 3.156 2.886 3.692 . 0 0 "[ . 1 . 2]" 1
282 1 28 THR HA 1 85 THR HA 1.800 . 4.410 2.209 1.783 2.535 0.017 2 0 "[ . 1 . 2]" 1
283 1 28 THR HA 1 85 THR MG 1.800 . 4.320 3.616 3.244 4.032 . 0 0 "[ . 1 . 2]" 1
284 1 28 THR MG 1 85 THR HA 1.800 . 4.940 2.909 2.381 3.333 . 0 0 "[ . 1 . 2]" 1
285 1 28 THR MG 1 85 THR MG 1.800 . 4.840 3.602 3.336 3.794 . 0 0 "[ . 1 . 2]" 1
286 1 28 THR MG 1 85 THR H 1.800 . 5.000 3.509 3.103 4.016 . 0 0 "[ . 1 . 2]" 1
287 1 28 THR HA 1 86 SER H 1.800 . 4.710 3.313 2.939 3.680 . 0 0 "[ . 1 . 2]" 1
288 1 29 VAL HA 1 29 VAL MG1 1.800 . 3.620 2.324 2.243 2.413 . 0 0 "[ . 1 . 2]" 1
289 1 29 VAL H 1 29 VAL MG1 1.800 . 4.210 3.068 2.706 3.861 . 0 0 "[ . 1 . 2]" 1
290 1 29 VAL H 1 29 VAL MG2 1.800 . 3.660 2.115 1.884 2.765 . 0 0 "[ . 1 . 2]" 1
291 1 29 VAL HA 1 30 GLU H 1.800 . 3.650 2.242 2.144 2.354 . 0 0 "[ . 1 . 2]" 1
292 1 29 VAL HB 1 30 GLU H 1.800 . 4.300 3.129 2.471 4.187 . 0 0 "[ . 1 . 2]" 1
293 1 29 VAL MG1 1 30 GLU H 1.800 . 4.020 3.450 2.467 3.833 . 0 0 "[ . 1 . 2]" 1
294 1 29 VAL MG2 1 30 GLU H 1.800 . 4.770 3.859 3.512 4.259 . 0 0 "[ . 1 . 2]" 1
295 1 29 VAL MG2 1 31 ILE MD 1.800 . 4.800 3.461 2.032 4.884 0.084 15 0 "[ . 1 . 2]" 1
296 1 29 VAL MG2 1 84 TYR QB 1.800 . 5.000 2.581 1.820 4.196 . 0 0 "[ . 1 . 2]" 1
297 1 29 VAL MG2 1 84 TYR QD 1.800 . 3.880 2.739 2.146 3.871 . 0 0 "[ . 1 . 2]" 1
298 1 29 VAL MG2 1 84 TYR H 1.800 . 5.000 3.538 2.772 5.020 0.020 7 0 "[ . 1 . 2]" 1
299 1 29 VAL H 1 84 TYR QB 1.800 . 4.800 3.218 2.939 3.714 . 0 0 "[ . 1 . 2]" 1
300 1 29 VAL H 1 84 TYR H 1.800 . 4.400 3.235 3.016 3.609 . 0 0 "[ . 1 . 2]" 1
301 1 29 VAL H 1 85 THR HA 1.800 . 4.460 3.755 3.337 4.044 . 0 0 "[ . 1 . 2]" 1
302 1 29 VAL MG2 1 86 SER HG 1.800 . 6.000 4.915 2.959 6.077 0.077 6 0 "[ . 1 . 2]" 1
303 1 29 VAL HB 1 113 PHE QE 1.800 . 5.210 4.308 2.916 5.250 0.040 14 0 "[ . 1 . 2]" 1
304 1 29 VAL MG1 1 113 PHE QD 1.800 . 5.000 4.158 3.272 4.900 . 0 0 "[ . 1 . 2]" 1
305 1 30 GLU H 1 30 GLU QB 1.800 . 3.390 2.587 2.270 2.943 . 0 0 "[ . 1 . 2]" 1
306 1 30 GLU H 1 30 GLU QG 1.800 . 4.380 2.821 1.989 4.061 . 0 0 "[ . 1 . 2]" 1
307 1 30 GLU HA 1 31 ILE H 1.800 . 3.430 2.123 2.080 2.200 . 0 0 "[ . 1 . 2]" 1
308 1 30 GLU QB 1 31 ILE H 1.800 . 4.360 3.478 2.941 3.985 . 0 0 "[ . 1 . 2]" 1
309 1 30 GLU QG 1 31 ILE H 1.800 . 4.430 3.937 2.710 4.376 . 0 0 "[ . 1 . 2]" 1
310 1 31 ILE HA 1 31 ILE MD 1.800 . 4.550 3.751 3.093 3.918 . 0 0 "[ . 1 . 2]" 1
311 1 31 ILE HA 1 31 ILE HG13 1.800 . 4.200 2.980 2.363 3.214 . 0 0 "[ . 1 . 2]" 1
312 1 31 ILE HA 1 31 ILE HG12 1.800 . 4.200 2.748 2.510 3.615 . 0 0 "[ . 1 . 2]" 1
313 1 31 ILE HB 1 31 ILE MD 1.800 . 3.680 2.410 2.322 2.469 . 0 0 "[ . 1 . 2]" 1
314 1 31 ILE MD 1 31 ILE MG 1.800 . 3.500 2.130 1.906 3.207 . 0 0 "[ . 1 . 2]" 1
315 1 31 ILE QG 1 31 ILE MG 1.800 . 3.400 2.286 2.077 2.363 . 0 0 "[ . 1 . 2]" 1
316 1 31 ILE H 1 31 ILE HB 1.800 . 3.790 2.578 2.482 2.720 . 0 0 "[ . 1 . 2]" 1
317 1 31 ILE H 1 31 ILE MD 1.800 . 4.260 3.503 1.889 3.946 . 0 0 "[ . 1 . 2]" 1
318 1 31 ILE H 1 31 ILE MG 1.800 . 4.460 3.813 3.781 3.862 . 0 0 "[ . 1 . 2]" 1
319 1 31 ILE HA 1 32 ARG H 1.800 . 3.360 2.160 2.096 2.227 . 0 0 "[ . 1 . 2]" 1
320 1 31 ILE HB 1 32 ARG H 1.800 . 5.380 4.353 4.205 4.451 . 0 0 "[ . 1 . 2]" 1
321 1 31 ILE MG 1 32 ARG H 1.800 . 3.920 3.158 2.891 3.342 . 0 0 "[ . 1 . 2]" 1
322 1 31 ILE HB 1 82 LEU H 1.800 . 4.170 3.178 2.616 3.524 . 0 0 "[ . 1 . 2]" 1
323 1 31 ILE MD 1 82 LEU QB 1.800 . 5.030 2.968 2.346 3.499 . 0 0 "[ . 1 . 2]" 1
324 1 31 ILE MG 1 82 LEU QB 1.800 . 4.700 3.353 2.737 3.882 . 0 0 "[ . 1 . 2]" 1
325 1 31 ILE MG 1 82 LEU MD1 1.800 . 5.000 3.130 2.388 3.897 . 0 0 "[ . 1 . 2]" 1
326 1 31 ILE MG 1 82 LEU H 1.800 . 4.610 4.015 3.499 4.367 . 0 0 "[ . 1 . 2]" 1
327 1 31 ILE H 1 82 LEU QB 1.800 . 4.500 3.228 2.919 3.517 . 0 0 "[ . 1 . 2]" 1
328 1 31 ILE H 1 82 LEU H 1.800 . 4.230 3.109 2.612 3.440 . 0 0 "[ . 1 . 2]" 1
329 1 31 ILE H 1 83 TYR HA 1.800 . 4.680 3.431 3.149 3.765 . 0 0 "[ . 1 . 2]" 1
330 1 31 ILE MD 1 84 TYR HA 1.800 . 5.360 4.662 4.048 5.378 0.018 20 0 "[ . 1 . 2]" 1
331 1 31 ILE MD 1 84 TYR QB 1.800 . 3.930 2.541 2.096 3.131 . 0 0 "[ . 1 . 2]" 1
332 1 31 ILE MD 1 84 TYR QD 1.800 . 4.520 3.843 3.417 4.258 . 0 0 "[ . 1 . 2]" 1
333 1 31 ILE MD 1 84 TYR H 1.800 . 4.750 3.960 2.659 4.739 . 0 0 "[ . 1 . 2]" 1
334 1 31 ILE MG 1 111 TYR QD 1.800 . 4.910 4.170 3.705 4.615 . 0 0 "[ . 1 . 2]" 1
335 1 31 ILE MG 1 111 TYR QE 1.800 . 4.250 3.635 2.913 4.277 0.027 17 0 "[ . 1 . 2]" 1
336 1 31 ILE MD 1 113 PHE QE 1.800 . 4.720 3.158 2.601 3.733 . 0 0 "[ . 1 . 2]" 1
337 1 32 ARG HA 1 32 ARG QG 1.800 . 3.490 2.530 2.255 3.452 . 0 0 "[ . 1 . 2]" 1
338 1 32 ARG QB 1 32 ARG QD 1.800 . 3.470 2.173 1.973 2.637 . 0 0 "[ . 1 . 2]" 1
339 1 32 ARG H 1 32 ARG QB 1.800 . 3.670 2.387 2.157 2.687 . 0 0 "[ . 1 . 2]" 1
340 1 32 ARG H 1 32 ARG QD 1.800 . 5.120 3.964 1.794 4.659 0.006 4 0 "[ . 1 . 2]" 1
341 1 32 ARG H 1 32 ARG QG 1.800 . 4.540 3.250 2.110 4.002 . 0 0 "[ . 1 . 2]" 1
342 1 32 ARG HA 1 33 LEU H 1.800 . 3.390 2.145 2.110 2.194 . 0 0 "[ . 1 . 2]" 1
343 1 32 ARG QB 1 33 LEU H 1.800 . 4.610 3.630 3.035 3.962 . 0 0 "[ . 1 . 2]" 1
344 1 32 ARG QG 1 33 LEU H 1.800 . 4.300 3.754 2.831 4.436 0.136 4 0 "[ . 1 . 2]" 1
345 1 32 ARG H 1 33 LEU H 1.800 . 5.120 4.335 4.208 4.508 . 0 0 "[ . 1 . 2]" 1
346 1 32 ARG HA 1 81 ARG HA 1.800 . 4.800 2.470 1.945 2.780 . 0 0 "[ . 1 . 2]" 1
347 1 32 ARG HA 1 82 LEU H 1.800 . 4.320 3.519 3.064 3.994 . 0 0 "[ . 1 . 2]" 1
348 1 33 LEU HA 1 33 LEU MD2 1.800 . 4.100 3.146 1.878 4.065 . 0 0 "[ . 1 . 2]" 1
349 1 33 LEU H 1 33 LEU QB 1.800 . 3.890 2.491 2.332 3.097 . 0 0 "[ . 1 . 2]" 1
350 1 33 LEU H 1 33 LEU MD1 1.800 . 4.690 4.236 3.659 4.538 . 0 0 "[ . 1 . 2]" 1
351 1 33 LEU H 1 33 LEU MD2 1.800 . 4.600 4.039 2.539 4.588 . 0 0 "[ . 1 . 2]" 1
352 1 33 LEU HA 1 34 GLU H 1.800 . 3.380 2.154 2.103 2.232 . 0 0 "[ . 1 . 2]" 1
353 1 33 LEU QB 1 34 GLU H 1.800 . 4.320 3.560 2.746 3.747 . 0 0 "[ . 1 . 2]" 1
354 1 33 LEU MD1 1 34 GLU H 1.800 . 4.600 2.811 2.082 4.717 0.117 6 0 "[ . 1 . 2]" 1
355 1 33 LEU MD2 1 34 GLU H 1.800 . 5.000 3.902 2.275 4.916 . 0 0 "[ . 1 . 2]" 1
356 1 33 LEU MD1 1 35 ILE MD 1.800 . 4.200 3.215 2.281 4.256 0.056 1 0 "[ . 1 . 2]" 1
357 1 33 LEU MD1 1 35 ILE QG 1.800 . 4.400 3.107 1.921 4.068 . 0 0 "[ . 1 . 2]" 1
358 1 33 LEU HG 1 35 ILE MD 1.800 . 5.400 3.927 2.138 5.503 0.103 6 0 "[ . 1 . 2]" 1
359 1 33 LEU QB 1 80 PHE H 1.800 . 5.100 3.815 3.260 5.034 . 0 0 "[ . 1 . 2]" 1
360 1 33 LEU H 1 80 PHE H 1.800 . 4.490 3.568 3.195 3.773 . 0 0 "[ . 1 . 2]" 1
361 1 33 LEU H 1 81 ARG HA 1.800 . 4.060 3.066 2.770 3.424 . 0 0 "[ . 1 . 2]" 1
362 1 33 LEU H 1 82 LEU H 1.800 . 5.000 4.256 3.932 4.678 . 0 0 "[ . 1 . 2]" 1
363 1 33 LEU MD1 1 97 LEU MD1 1.800 . 5.000 3.926 2.363 5.021 0.021 11 0 "[ . 1 . 2]" 1
364 1 33 LEU MD2 1 97 LEU MD1 1.800 . 4.280 3.281 2.611 4.309 0.029 5 0 "[ . 1 . 2]" 1
365 1 33 LEU MD1 1 99 PHE QE 1.800 . 4.410 3.644 2.712 4.439 0.029 12 0 "[ . 1 . 2]" 1
366 1 33 LEU MD2 1 99 PHE QE 1.800 . 4.790 3.383 2.236 4.605 . 0 0 "[ . 1 . 2]" 1
367 1 33 LEU HG 1 99 PHE QE 1.800 . 5.400 4.328 2.498 5.318 . 0 0 "[ . 1 . 2]" 1
368 1 34 GLU HA 1 34 GLU HG3 1.800 . 4.360 2.999 2.560 3.241 . 0 0 "[ . 1 . 2]" 1
369 1 34 GLU HA 1 34 GLU HG2 1.800 . 4.360 2.586 2.380 2.913 . 0 0 "[ . 1 . 2]" 1
370 1 34 GLU HA 1 35 ILE H 1.800 . 3.720 2.162 2.084 2.221 . 0 0 "[ . 1 . 2]" 1
371 1 34 GLU QB 1 35 ILE H 1.800 . 4.310 3.516 2.934 3.904 . 0 0 "[ . 1 . 2]" 1
372 1 34 GLU HA 1 79 LYS QB 1.800 . 3.970 3.380 2.085 4.040 0.070 13 0 "[ . 1 . 2]" 1
373 1 34 GLU HA 1 79 LYS QD 1.800 . 5.370 4.734 3.894 5.420 0.050 19 0 "[ . 1 . 2]" 1
374 1 34 GLU HA 1 79 LYS HG3 1.800 . 4.960 3.836 2.921 4.780 . 0 0 "[ . 1 . 2]" 1
375 1 34 GLU HA 1 79 LYS HG2 1.800 . 4.960 3.852 2.079 4.919 . 0 0 "[ . 1 . 2]" 1
376 1 34 GLU HB3 1 79 LYS QG 1.800 . 4.770 3.482 2.023 4.690 . 0 0 "[ . 1 . 2]" 1
377 1 34 GLU HB2 1 79 LYS QG 1.800 . 6.000 4.021 2.545 5.864 . 0 0 "[ . 1 . 2]" 1
378 1 34 GLU QG 1 79 LYS QD 1.800 . 4.300 3.250 2.288 4.316 0.016 15 0 "[ . 1 . 2]" 1
379 1 34 GLU HG3 1 79 LYS HG3 1.800 . 6.000 3.909 1.906 6.007 0.007 4 0 "[ . 1 . 2]" 1
380 1 34 GLU HG3 1 79 LYS HG2 1.800 . 5.700 3.981 1.792 5.787 0.087 5 0 "[ . 1 . 2]" 1
381 1 34 GLU HG2 1 79 LYS HG3 1.800 . 5.200 3.111 1.755 4.535 0.045 11 0 "[ . 1 . 2]" 1
382 1 34 GLU HG2 1 79 LYS HG2 1.800 . 5.200 3.255 1.795 5.242 0.042 12 0 "[ . 1 . 2]" 1
383 1 34 GLU HG3 1 80 PHE H 1.800 . 5.400 4.425 3.674 5.418 0.018 17 0 "[ . 1 . 2]" 1
384 1 34 GLU HG2 1 80 PHE H 1.800 . 5.400 4.234 2.633 5.485 0.085 8 0 "[ . 1 . 2]" 1
385 1 35 ILE HA 1 35 ILE MD 1.800 . 4.920 3.703 2.990 3.882 . 0 0 "[ . 1 . 2]" 1
386 1 35 ILE HB 1 35 ILE MD 1.800 . 3.710 2.408 2.314 2.455 . 0 0 "[ . 1 . 2]" 1
387 1 35 ILE MD 1 35 ILE MG 1.800 . 3.690 2.200 1.899 3.227 . 0 0 "[ . 1 . 2]" 1
388 1 35 ILE HG13 1 35 ILE MG 1.800 . 4.230 3.075 2.523 3.212 . 0 0 "[ . 1 . 2]" 1
389 1 35 ILE HG12 1 35 ILE MG 1.800 . 4.230 2.343 2.176 2.423 . 0 0 "[ . 1 . 2]" 1
390 1 35 ILE H 1 35 ILE HB 1.800 . 4.160 2.597 2.445 2.726 . 0 0 "[ . 1 . 2]" 1
391 1 35 ILE H 1 35 ILE MD 1.800 . 4.350 3.509 2.003 4.070 . 0 0 "[ . 1 . 2]" 1
392 1 35 ILE H 1 35 ILE HG13 1.800 . 4.990 2.771 2.270 3.662 . 0 0 "[ . 1 . 2]" 1
393 1 35 ILE H 1 35 ILE HG12 1.800 . 4.990 3.831 3.548 4.346 . 0 0 "[ . 1 . 2]" 1
394 1 35 ILE H 1 35 ILE MG 1.800 . 4.500 3.829 3.760 3.899 . 0 0 "[ . 1 . 2]" 1
395 1 35 ILE HA 1 36 LYS H 1.800 . 3.560 2.154 2.114 2.243 . 0 0 "[ . 1 . 2]" 1
396 1 35 ILE MG 1 36 LYS H 1.800 . 4.000 2.998 2.358 3.542 . 0 0 "[ . 1 . 2]" 1
397 1 35 ILE HB 1 78 TRP HB3 1.800 . 5.700 2.434 1.762 3.268 0.038 9 0 "[ . 1 . 2]" 1
398 1 35 ILE HB 1 78 TRP HB2 1.800 . 5.700 3.935 2.180 4.981 . 0 0 "[ . 1 . 2]" 1
399 1 35 ILE MD 1 78 TRP HB3 1.800 . 5.070 3.911 1.910 5.069 . 0 0 "[ . 1 . 2]" 1
400 1 35 ILE MG 1 78 TRP HB2 1.800 . 5.220 4.711 3.452 5.272 0.052 6 0 "[ . 1 . 2]" 1
401 1 35 ILE MG 1 78 TRP HE3 1.800 . 4.920 2.360 1.847 3.330 . 0 0 "[ . 1 . 2]" 1
402 1 35 ILE MG 1 78 TRP HZ3 1.800 . 3.790 2.832 2.416 3.839 0.049 12 0 "[ . 1 . 2]" 1
403 1 35 ILE H 1 78 TRP HA 1.800 . 5.320 4.159 3.550 4.665 . 0 0 "[ . 1 . 2]" 1
404 1 35 ILE H 1 78 TRP HB3 1.800 . 5.100 3.164 2.210 3.886 . 0 0 "[ . 1 . 2]" 1
405 1 35 ILE H 1 78 TRP HB2 1.800 . 5.100 4.171 2.600 5.107 0.007 17 0 "[ . 1 . 2]" 1
406 1 35 ILE H 1 79 LYS HA 1.800 . 4.080 3.243 2.795 3.729 . 0 0 "[ . 1 . 2]" 1
407 1 35 ILE H 1 79 LYS QB 1.800 . 5.000 4.177 3.023 5.036 0.036 7 0 "[ . 1 . 2]" 1
408 1 35 ILE MD 1 109 LEU MD1 1.800 . 5.700 3.839 2.720 4.831 . 0 0 "[ . 1 . 2]" 1
409 1 35 ILE QG 1 109 LEU MD1 1.800 . 4.910 4.230 3.653 4.978 0.068 17 0 "[ . 1 . 2]" 1
410 1 36 LYS HA 1 36 LYS QD 1.800 . 4.860 4.110 3.856 4.572 . 0 0 "[ . 1 . 2]" 1
411 1 36 LYS QB 1 36 LYS QD 1.800 . 3.950 2.195 2.092 2.373 . 0 0 "[ . 1 . 2]" 1
412 1 36 LYS QB 1 36 LYS QE 1.800 . 4.190 2.989 1.810 3.684 . 0 0 "[ . 1 . 2]" 1
413 1 36 LYS QE 1 36 LYS QG 1.800 . 3.690 2.370 2.151 2.811 . 0 0 "[ . 1 . 2]" 1
414 1 36 LYS HE3 1 36 LYS QG 1.800 . 3.950 2.761 2.277 3.527 . 0 0 "[ . 1 . 2]" 1
415 1 36 LYS HE2 1 36 LYS QG 1.800 . 3.950 2.951 2.282 3.513 . 0 0 "[ . 1 . 2]" 1
416 1 36 LYS H 1 36 LYS QB 1.800 . 3.620 2.447 2.078 3.056 . 0 0 "[ . 1 . 2]" 1
417 1 36 LYS H 1 36 LYS QD 1.800 . 5.000 4.311 3.629 4.892 . 0 0 "[ . 1 . 2]" 1
418 1 36 LYS H 1 36 LYS QG 1.800 . 4.200 3.201 1.920 4.061 . 0 0 "[ . 1 . 2]" 1
419 1 37 PRO HA 1 38 SER H 1.800 . 3.690 2.315 2.136 3.116 . 0 0 "[ . 1 . 2]" 1
420 1 37 PRO HB3 1 38 SER H 1.800 . 4.640 3.938 3.416 4.642 0.002 10 0 "[ . 1 . 2]" 1
421 1 37 PRO HB2 1 38 SER H 1.800 . 4.640 3.437 2.260 4.365 . 0 0 "[ . 1 . 2]" 1
422 1 37 PRO QG 1 38 SER H 1.800 . 4.840 4.490 3.740 4.870 0.030 5 0 "[ . 1 . 2]" 1
423 1 37 PRO QB 1 78 TRP HH2 1.800 . 5.400 4.041 3.350 5.156 . 0 0 "[ . 1 . 2]" 1
424 1 37 PRO QB 1 78 TRP HZ3 1.800 . 5.400 3.550 1.765 5.061 0.035 12 0 "[ . 1 . 2]" 1
425 1 37 PRO HD3 1 78 TRP HE3 1.800 . 5.600 3.504 2.177 4.231 . 0 0 "[ . 1 . 2]" 1
426 1 37 PRO HD3 1 78 TRP HZ3 1.800 . 5.640 4.841 3.573 5.665 0.025 4 0 "[ . 1 . 2]" 1
427 1 38 SER H 1 38 SER QB 1.800 . 3.810 2.583 2.256 3.415 . 0 0 "[ . 1 . 2]" 1
428 1 38 SER QB 1 39 GLY H 1.800 . 4.150 3.240 1.991 4.049 . 0 0 "[ . 1 . 2]" 1
429 1 38 SER H 1 39 GLY H 1.800 . 4.800 2.887 2.137 4.200 . 0 0 "[ . 1 . 2]" 1
430 1 39 GLY HA3 1 40 ASN H 1.800 . 3.700 3.108 2.197 3.553 . 0 0 "[ . 1 . 2]" 1
431 1 39 GLY HA2 1 40 ASN H 1.800 . 3.700 2.484 2.122 3.530 . 0 0 "[ . 1 . 2]" 1
432 1 39 GLY H 1 40 ASN H 1.800 . 5.220 3.807 2.442 4.572 . 0 0 "[ . 1 . 2]" 1
433 1 40 ASN HA 1 40 ASN QD 1.800 . 5.410 3.479 1.828 4.107 . 0 0 "[ . 1 . 2]" 1
434 1 40 ASN H 1 40 ASN QB 1.800 . 3.610 2.651 2.231 3.402 . 0 0 "[ . 1 . 2]" 1
435 1 40 ASN HA 1 41 PHE H 1.800 . 3.600 2.585 2.101 3.569 . 0 0 "[ . 1 . 2]" 1
436 1 40 ASN QB 1 41 PHE H 1.800 . 4.160 3.374 1.929 3.993 . 0 0 "[ . 1 . 2]" 1
437 1 41 PHE H 1 41 PHE QB 1.800 . 3.650 2.648 2.245 3.347 . 0 0 "[ . 1 . 2]" 1
438 1 41 PHE H 1 41 PHE QD 1.800 . 4.880 2.922 2.069 4.487 . 0 0 "[ . 1 . 2]" 1
439 1 41 PHE HA 1 42 ILE H 1.800 . 3.770 2.574 2.116 3.533 . 0 0 "[ . 1 . 2]" 1
440 1 41 PHE QB 1 42 ILE H 1.800 . 4.410 2.849 1.745 4.044 0.055 6 0 "[ . 1 . 2]" 1
441 1 41 PHE QD 1 42 ILE H 1.800 . 5.250 3.961 2.979 4.784 . 0 0 "[ . 1 . 2]" 1
442 1 42 ILE HA 1 42 ILE MD 1.800 . 4.480 3.616 1.994 4.195 . 0 0 "[ . 1 . 2]" 1
443 1 42 ILE HA 1 42 ILE HG13 1.800 . 4.330 3.178 2.465 4.267 . 0 0 "[ . 1 . 2]" 1
444 1 42 ILE HA 1 42 ILE HG12 1.800 . 4.330 3.103 2.471 3.788 . 0 0 "[ . 1 . 2]" 1
445 1 42 ILE HA 1 42 ILE MG 1.800 . 3.420 2.609 2.253 3.219 . 0 0 "[ . 1 . 2]" 1
446 1 42 ILE HB 1 42 ILE MD 1.800 . 3.540 2.504 2.398 3.234 . 0 0 "[ . 1 . 2]" 1
447 1 42 ILE QG 1 42 ILE MG 1.800 . 3.680 2.314 2.115 2.446 . 0 0 "[ . 1 . 2]" 1
448 1 42 ILE H 1 42 ILE HB 1.800 . 4.000 2.980 2.495 3.761 . 0 0 "[ . 1 . 2]" 1
449 1 42 ILE H 1 42 ILE MD 1.800 . 4.520 3.888 1.766 4.511 0.034 19 0 "[ . 1 . 2]" 1
450 1 42 ILE H 1 42 ILE QG 1.800 . 4.400 2.862 1.887 4.060 . 0 0 "[ . 1 . 2]" 1
451 1 42 ILE H 1 42 ILE MG 1.800 . 4.350 2.973 1.795 4.065 0.005 8 0 "[ . 1 . 2]" 1
452 1 42 ILE HA 1 43 GLY H 1.800 . 3.600 2.612 2.060 3.570 . 0 0 "[ . 1 . 2]" 1
453 1 42 ILE HB 1 43 GLY H 1.800 . 4.860 3.624 1.757 4.464 0.043 3 0 "[ . 1 . 2]" 1
454 1 42 ILE MG 1 43 GLY H 1.800 . 4.200 3.493 2.243 4.328 0.128 15 0 "[ . 1 . 2]" 1
455 1 43 GLY H 1 44 THR H 1.800 . 4.800 3.547 2.315 4.552 . 0 0 "[ . 1 . 2]" 1
456 1 44 THR HA 1 44 THR MG 1.800 . 3.780 2.661 2.149 3.222 . 0 0 "[ . 1 . 2]" 1
457 1 44 THR H 1 44 THR HB 1.800 . 3.760 3.287 2.586 3.737 . 0 0 "[ . 1 . 2]" 1
458 1 44 THR H 1 44 THR HG1 1.800 . 4.700 2.561 1.818 3.304 . 0 0 "[ . 1 . 2]" 1
459 1 44 THR H 1 44 THR MG 1.800 . 4.580 3.023 1.943 4.003 . 0 0 "[ . 1 . 2]" 1
460 1 44 THR HA 1 45 VAL H 1.800 . 3.640 2.787 2.135 3.594 . 0 0 "[ . 1 . 2]" 1
461 1 44 THR MG 1 45 VAL H 1.800 . 4.500 3.192 2.239 4.239 . 0 0 "[ . 1 . 2]" 1
462 1 44 THR MG 1 101 ASP QB 1.800 . 5.000 3.995 1.802 5.233 0.233 18 0 "[ . 1 . 2]" 1
463 1 44 THR HG1 1 103 TRP HE1 1.800 . 5.000 3.497 2.210 4.792 . 0 0 "[ . 1 . 2]" 1
464 1 44 THR MG 1 103 TRP HD1 1.800 . 5.000 3.641 1.842 5.061 0.061 20 0 "[ . 1 . 2]" 1
465 1 44 THR MG 1 103 TRP HE1 1.800 . 5.000 3.884 2.272 5.071 0.071 7 0 "[ . 1 . 2]" 1
466 1 45 VAL HA 1 45 VAL MG1 1.800 . 3.630 2.547 2.319 3.220 . 0 0 "[ . 1 . 2]" 1
467 1 45 VAL HA 1 45 VAL MG2 1.800 . 4.150 2.406 2.330 2.536 . 0 0 "[ . 1 . 2]" 1
468 1 45 VAL H 1 45 VAL MG1 1.800 . 4.440 3.579 2.046 4.099 . 0 0 "[ . 1 . 2]" 1
469 1 45 VAL H 1 45 VAL MG2 1.800 . 4.040 2.833 2.021 4.019 . 0 0 "[ . 1 . 2]" 1
470 1 45 VAL HA 1 46 TYR H 1.800 . 3.490 2.722 2.129 3.551 0.061 11 0 "[ . 1 . 2]" 1
471 1 45 VAL HB 1 46 TYR H 1.800 . 4.390 3.834 2.165 4.432 0.042 14 0 "[ . 1 . 2]" 1
472 1 45 VAL MG1 1 46 TYR H 1.800 . 3.840 2.917 1.837 3.573 . 0 0 "[ . 1 . 2]" 1
473 1 45 VAL MG2 1 46 TYR H 1.800 . 4.400 4.008 3.558 4.318 . 0 0 "[ . 1 . 2]" 1
474 1 45 VAL HB 1 74 LEU MD1 1.800 . 5.600 4.398 2.814 5.656 0.056 12 0 "[ . 1 . 2]" 1
475 1 45 VAL MG1 1 74 LEU HA 1.800 . 5.000 4.257 3.003 5.099 0.099 6 0 "[ . 1 . 2]" 1
476 1 45 VAL MG1 1 74 LEU QB 1.800 . 4.800 3.649 1.766 4.847 0.047 11 0 "[ . 1 . 2]" 1
477 1 45 VAL MG1 1 74 LEU MD1 1.800 . 3.580 2.352 1.769 3.037 0.031 18 0 "[ . 1 . 2]" 1
478 1 45 VAL MG2 1 74 LEU MD1 1.800 . 4.690 3.705 1.871 4.703 0.013 11 0 "[ . 1 . 2]" 1
479 1 46 TYR HA 1 46 TYR QD 1.800 . 4.600 2.587 1.973 3.735 . 0 0 "[ . 1 . 2]" 1
480 1 46 TYR H 1 46 TYR QD 1.800 . 4.610 3.404 2.339 4.202 . 0 0 "[ . 1 . 2]" 1
481 1 46 TYR HA 1 47 THR H 1.800 . 3.550 2.275 2.097 3.476 . 0 0 "[ . 1 . 2]" 1
482 1 46 TYR HB3 1 47 THR H 1.800 . 4.570 3.502 1.797 4.362 0.003 12 0 "[ . 1 . 2]" 1
483 1 46 TYR HB2 1 47 THR H 1.800 . 4.570 4.113 2.242 4.603 0.033 8 0 "[ . 1 . 2]" 1
484 1 46 TYR QD 1 47 THR H 1.800 . 4.700 3.754 1.982 4.572 . 0 0 "[ . 1 . 2]" 1
485 1 46 TYR H 1 47 THR H 1.800 . 5.050 4.193 3.086 4.591 . 0 0 "[ . 1 . 2]" 1
486 1 46 TYR H 1 74 LEU MD1 1.800 . 5.600 4.567 2.867 5.709 0.109 7 0 "[ . 1 . 2]" 1
487 1 46 TYR QB 1 78 TRP HE1 1.800 . 6.000 5.005 2.524 6.023 0.023 17 0 "[ . 1 . 2]" 1
488 1 46 TYR QD 1 78 TRP HE1 1.800 . 6.000 5.079 3.112 6.045 0.045 1 0 "[ . 1 . 2]" 1
489 1 46 TYR HA 1 101 ASP HA 1.800 . 4.740 3.100 2.184 4.757 0.017 12 0 "[ . 1 . 2]" 1
490 1 46 TYR QD 1 101 ASP HA 1.800 . 5.400 3.215 1.939 4.772 . 0 0 "[ . 1 . 2]" 1
491 1 46 TYR QE 1 101 ASP QB 1.800 . 5.700 3.534 2.067 5.707 0.007 14 0 "[ . 1 . 2]" 1
492 1 46 TYR HA 1 102 ASN H 1.800 . 5.600 4.570 3.357 5.662 0.062 18 0 "[ . 1 . 2]" 1
493 1 46 TYR QD 1 102 ASN H 1.800 . 5.600 4.811 2.889 5.708 0.108 17 0 "[ . 1 . 2]" 1
494 1 47 THR HA 1 47 THR MG 1.800 . 3.770 2.364 2.222 3.210 . 0 0 "[ . 1 . 2]" 1
495 1 47 THR H 1 47 THR MG 1.800 . 4.200 3.638 2.506 3.987 . 0 0 "[ . 1 . 2]" 1
496 1 47 THR HA 1 48 LEU H 1.800 . 3.770 2.195 2.140 2.303 . 0 0 "[ . 1 . 2]" 1
497 1 47 THR HB 1 48 LEU H 1.800 . 4.250 3.754 2.889 4.138 . 0 0 "[ . 1 . 2]" 1
498 1 47 THR MG 1 48 LEU H 1.800 . 4.140 2.831 2.162 3.836 . 0 0 "[ . 1 . 2]" 1
499 1 47 THR MG 1 72 ARG QB 1.800 . 5.000 2.570 1.781 4.170 0.019 3 0 "[ . 1 . 2]" 1
500 1 47 THR MG 1 72 ARG QD 1.800 . 3.990 3.122 2.043 4.135 0.145 3 0 "[ . 1 . 2]" 1
501 1 47 THR HA 1 74 LEU HA 1.800 . 4.730 2.576 1.730 3.135 0.070 7 0 "[ . 1 . 2]" 1
502 1 47 THR MG 1 74 LEU HA 1.800 . 4.130 3.306 2.067 4.239 0.109 14 0 "[ . 1 . 2]" 1
503 1 47 THR MG 1 74 LEU MD1 1.800 . 5.000 3.497 2.181 5.056 0.056 4 0 "[ . 1 . 2]" 1
504 1 47 THR HA 1 75 LEU H 1.800 . 4.480 3.492 2.680 4.535 0.055 6 0 "[ . 1 . 2]" 1
505 1 47 THR H 1 100 GLU H 1.800 . 4.430 3.329 2.566 4.027 . 0 0 "[ . 1 . 2]" 1
506 1 47 THR H 1 101 ASP HA 1.800 . 4.520 3.693 2.682 4.574 0.054 11 0 "[ . 1 . 2]" 1
507 1 48 LEU HA 1 48 LEU MD1 1.800 . 4.100 2.242 2.005 3.645 . 0 0 "[ . 1 . 2]" 1
508 1 48 LEU HA 1 48 LEU HG 1.800 . 4.150 3.284 3.148 3.723 . 0 0 "[ . 1 . 2]" 1
509 1 48 LEU QB 1 48 LEU MD1 1.800 . 3.530 2.321 2.159 2.391 . 0 0 "[ . 1 . 2]" 1
510 1 48 LEU QB 1 48 LEU MD2 1.800 . 3.650 2.109 2.066 2.447 . 0 0 "[ . 1 . 2]" 1
511 1 48 LEU H 1 48 LEU QB 1.800 . 3.720 2.431 2.341 2.828 . 0 0 "[ . 1 . 2]" 1
512 1 48 LEU H 1 48 LEU MD1 1.800 . 4.990 4.256 3.568 4.355 . 0 0 "[ . 1 . 2]" 1
513 1 48 LEU H 1 48 LEU HG 1.800 . 4.830 4.309 2.184 4.777 . 0 0 "[ . 1 . 2]" 1
514 1 48 LEU HA 1 49 ARG H 1.800 . 3.710 2.134 2.101 2.197 . 0 0 "[ . 1 . 2]" 1
515 1 48 LEU QB 1 49 ARG H 1.800 . 4.460 3.792 3.083 3.910 . 0 0 "[ . 1 . 2]" 1
516 1 48 LEU MD1 1 49 ARG H 1.800 . 3.730 2.471 2.188 3.565 . 0 0 "[ . 1 . 2]" 1
517 1 48 LEU HG 1 49 ARG H 1.800 . 4.800 3.598 3.066 4.847 0.047 7 0 "[ . 1 . 2]" 1
518 1 48 LEU HG 1 67 LEU MD1 1.800 . 5.000 4.070 2.999 5.022 0.022 3 0 "[ . 1 . 2]" 1
519 1 48 LEU QB 1 73 TYR H 1.800 . 5.480 3.619 3.146 4.681 . 0 0 "[ . 1 . 2]" 1
520 1 48 LEU MD2 1 73 TYR QB 1.800 . 4.630 3.779 2.839 4.814 0.184 7 0 "[ . 1 . 2]" 1
521 1 48 LEU H 1 73 TYR QB 1.800 . 5.360 3.802 3.348 4.269 . 0 0 "[ . 1 . 2]" 1
522 1 48 LEU H 1 73 TYR H 1.800 . 4.860 3.142 2.742 3.592 . 0 0 "[ . 1 . 2]" 1
523 1 48 LEU H 1 74 LEU HA 1.800 . 4.920 3.408 2.879 3.886 . 0 0 "[ . 1 . 2]" 1
524 1 48 LEU QB 1 75 LEU MD1 1.800 . 4.800 2.910 1.846 4.863 0.063 12 0 "[ . 1 . 2]" 1
525 1 48 LEU MD2 1 75 LEU MD1 1.800 . 3.630 2.637 1.776 3.712 0.082 6 0 "[ . 1 . 2]" 1
526 1 48 LEU MD1 1 97 LEU HB3 1.800 . 5.220 2.806 1.892 4.290 . 0 0 "[ . 1 . 2]" 1
527 1 48 LEU MD1 1 97 LEU HB2 1.800 . 5.700 4.275 3.430 5.712 0.012 7 0 "[ . 1 . 2]" 1
528 1 48 LEU MD1 1 97 LEU MD2 1.800 . 4.710 2.896 2.154 4.219 . 0 0 "[ . 1 . 2]" 1
529 1 48 LEU MD1 1 98 TYR H 1.800 . 5.000 3.361 2.579 4.892 . 0 0 "[ . 1 . 2]" 1
530 1 48 LEU HA 1 99 PHE HA 1.800 . 5.510 2.787 2.428 3.163 . 0 0 "[ . 1 . 2]" 1
531 1 48 LEU QB 1 99 PHE QD 1.800 . 5.440 3.614 2.825 4.266 . 0 0 "[ . 1 . 2]" 1
532 1 48 LEU MD1 1 99 PHE HA 1.800 . 5.390 3.091 2.229 5.340 . 0 0 "[ . 1 . 2]" 1
533 1 48 LEU MD1 1 99 PHE QE 1.800 . 4.600 2.933 2.344 4.612 0.012 7 0 "[ . 1 . 2]" 1
534 1 48 LEU MD2 1 99 PHE QD 1.800 . 4.620 3.940 2.711 4.638 0.018 17 0 "[ . 1 . 2]" 1
535 1 48 LEU MD2 1 99 PHE QE 1.800 . 4.810 3.056 2.292 3.969 . 0 0 "[ . 1 . 2]" 1
536 1 48 LEU HA 1 100 GLU H 1.800 . 5.250 3.347 2.770 3.806 . 0 0 "[ . 1 . 2]" 1
537 1 49 ARG H 1 49 ARG QG 1.800 . 4.530 3.236 1.954 4.091 . 0 0 "[ . 1 . 2]" 1
538 1 49 ARG HB3 1 50 TYR H 1.800 . 5.140 3.843 2.977 4.377 . 0 0 "[ . 1 . 2]" 1
539 1 49 ARG HB2 1 50 TYR H 1.800 . 5.140 3.817 2.671 4.553 . 0 0 "[ . 1 . 2]" 1
540 1 49 ARG HG3 1 50 TYR H 1.800 . 5.480 3.863 2.334 5.149 . 0 0 "[ . 1 . 2]" 1
541 1 49 ARG HG2 1 50 TYR H 1.800 . 5.480 4.043 2.863 5.053 . 0 0 "[ . 1 . 2]" 1
542 1 49 ARG QB 1 70 ASN H 1.800 . 6.000 4.948 3.065 6.084 0.084 14 0 "[ . 1 . 2]" 1
543 1 49 ARG QG 1 70 ASN H 1.800 . 5.870 4.748 3.151 5.991 0.121 4 0 "[ . 1 . 2]" 1
544 1 49 ARG QB 1 98 TYR QB 1.800 . 4.710 2.476 1.727 4.153 0.073 10 0 "[ . 1 . 2]" 1
545 1 49 ARG QG 1 98 TYR H 1.800 . 5.850 4.418 2.978 5.460 . 0 0 "[ . 1 . 2]" 1
546 1 49 ARG H 1 98 TYR QB 1.800 . 5.290 3.013 2.697 3.457 . 0 0 "[ . 1 . 2]" 1
547 1 49 ARG H 1 98 TYR H 1.800 . 4.920 3.509 3.068 3.957 . 0 0 "[ . 1 . 2]" 1
548 1 49 ARG H 1 99 PHE HA 1.800 . 5.620 3.748 3.372 4.255 . 0 0 "[ . 1 . 2]" 1
549 1 50 TYR HA 1 51 PHE H 1.800 . 3.550 2.218 2.138 2.429 . 0 0 "[ . 1 . 2]" 1
550 1 50 TYR QB 1 51 PHE H 1.800 . 3.830 3.257 2.311 3.809 . 0 0 "[ . 1 . 2]" 1
551 1 50 TYR QD 1 51 PHE H 1.800 . 4.570 3.512 2.775 4.581 0.011 11 0 "[ . 1 . 2]" 1
552 1 50 TYR QB 1 59 LEU MD2 1.800 . 4.200 3.332 2.820 4.245 0.045 19 0 "[ . 1 . 2]" 1
553 1 50 TYR QD 1 59 LEU QB 1.800 . 4.640 4.022 3.493 4.680 0.040 17 0 "[ . 1 . 2]" 1
554 1 50 TYR QD 1 59 LEU MD2 1.800 . 5.140 2.785 2.113 3.913 . 0 0 "[ . 1 . 2]" 1
555 1 50 TYR QE 1 59 LEU QB 1.800 . 5.000 3.766 2.549 5.069 0.069 4 0 "[ . 1 . 2]" 1
556 1 50 TYR QE 1 59 LEU MD2 1.800 . 5.520 2.853 2.341 4.156 . 0 0 "[ . 1 . 2]" 1
557 1 50 TYR QB 1 67 LEU MD1 1.800 . 5.870 3.558 2.190 4.626 . 0 0 "[ . 1 . 2]" 1
558 1 50 TYR H 1 70 ASN H 1.800 . 5.510 3.587 2.772 4.228 . 0 0 "[ . 1 . 2]" 1
559 1 50 TYR H 1 71 ASP H 1.800 . 5.470 4.039 2.876 4.755 . 0 0 "[ . 1 . 2]" 1
560 1 50 TYR HA 1 97 LEU MD2 1.800 . 4.380 3.037 2.510 3.742 . 0 0 "[ . 1 . 2]" 1
561 1 50 TYR QB 1 97 LEU MD2 1.800 . 3.870 2.987 1.806 3.661 . 0 0 "[ . 1 . 2]" 1
562 1 50 TYR QD 1 97 LEU MD2 1.800 . 4.530 2.217 1.783 3.485 0.017 14 0 "[ . 1 . 2]" 1
563 1 50 TYR H 1 97 LEU HA 1.800 . 5.840 5.476 4.948 5.854 0.014 4 0 "[ . 1 . 2]" 1
564 1 50 TYR HA 1 98 TYR QD 1.800 . 4.590 3.705 1.981 4.386 . 0 0 "[ . 1 . 2]" 1
565 1 50 TYR HA 1 98 TYR QE 1.800 . 5.600 4.993 3.695 5.585 . 0 0 "[ . 1 . 2]" 1
566 1 50 TYR HA 1 98 TYR H 1.800 . 4.480 3.250 2.565 3.785 . 0 0 "[ . 1 . 2]" 1
567 1 50 TYR QD 1 98 TYR H 1.800 . 5.670 5.017 4.351 5.654 . 0 0 "[ . 1 . 2]" 1
568 1 50 TYR H 1 98 TYR QD 1.800 . 5.900 4.792 4.122 5.229 . 0 0 "[ . 1 . 2]" 1
569 1 51 PHE HA 1 51 PHE QD 1.800 . 4.060 2.640 2.362 2.986 . 0 0 "[ . 1 . 2]" 1
570 1 51 PHE HA 1 52 GLN H 1.800 . 3.600 2.219 2.130 2.284 . 0 0 "[ . 1 . 2]" 1
571 1 51 PHE QB 1 52 GLN H 1.800 . 4.200 3.465 2.728 3.763 . 0 0 "[ . 1 . 2]" 1
572 1 51 PHE QD 1 52 GLN H 1.800 . 4.200 3.250 2.582 3.675 . 0 0 "[ . 1 . 2]" 1
573 1 51 PHE HA 1 69 PRO QB 1.800 . 4.080 2.661 1.770 3.448 0.030 14 0 "[ . 1 . 2]" 1
574 1 51 PHE QD 1 69 PRO QB 1.800 . 4.410 3.504 2.718 4.447 0.037 13 0 "[ . 1 . 2]" 1
575 1 51 PHE QB 1 96 ASP HB3 1.800 . 4.950 3.264 1.917 4.720 . 0 0 "[ . 1 . 2]" 1
576 1 51 PHE QB 1 96 ASP HB2 1.800 . 4.950 3.103 1.876 4.712 . 0 0 "[ . 1 . 2]" 1
577 1 51 PHE QD 1 96 ASP QB 1.800 . 5.470 3.397 2.256 5.250 . 0 0 "[ . 1 . 2]" 1
578 1 51 PHE H 1 96 ASP QB 1.800 . 4.530 3.568 2.838 4.407 . 0 0 "[ . 1 . 2]" 1
579 1 51 PHE H 1 97 LEU HA 1.800 . 5.310 3.805 3.366 4.075 . 0 0 "[ . 1 . 2]" 1
580 1 51 PHE H 1 97 LEU MD2 1.800 . 4.770 3.697 2.792 4.327 . 0 0 "[ . 1 . 2]" 1
581 1 51 PHE QB 1 98 TYR QE 1.800 . 4.080 1.959 1.753 2.809 0.047 6 0 "[ . 1 . 2]" 1
582 1 51 PHE H 1 98 TYR QD 1.800 . 4.350 3.878 3.061 4.356 0.006 17 0 "[ . 1 . 2]" 1
583 1 51 PHE H 1 98 TYR QE 1.800 . 4.520 3.986 2.854 4.443 . 0 0 "[ . 1 . 2]" 1
584 1 52 GLN H 1 52 GLN HB3 1.800 . 3.860 3.373 2.523 3.846 . 0 0 "[ . 1 . 2]" 1
585 1 52 GLN H 1 52 GLN HB2 1.800 . 3.860 2.875 2.406 3.837 . 0 0 "[ . 1 . 2]" 1
586 1 52 GLN H 1 52 GLN HG3 1.800 . 5.420 3.670 2.653 4.799 . 0 0 "[ . 1 . 2]" 1
587 1 52 GLN H 1 52 GLN HG2 1.800 . 5.420 4.032 2.323 4.598 . 0 0 "[ . 1 . 2]" 1
588 1 52 GLN HA 1 95 ILE HA 1.800 . 5.090 2.656 2.220 3.278 . 0 0 "[ . 1 . 2]" 1
589 1 52 GLN HA 1 95 ILE MG 1.800 . 4.700 3.305 2.584 3.894 . 0 0 "[ . 1 . 2]" 1
590 1 52 GLN HE21 1 95 ILE MG 1.800 . 5.000 3.462 2.155 4.822 . 0 0 "[ . 1 . 2]" 1
591 1 52 GLN HE22 1 95 ILE MG 1.800 . 5.000 3.967 2.612 5.020 0.020 2 0 "[ . 1 . 2]" 1
592 1 52 GLN HG3 1 95 ILE MG 1.800 . 5.380 3.218 1.815 5.399 0.019 7 0 "[ . 1 . 2]" 1
593 1 52 GLN HG2 1 95 ILE MG 1.800 . 5.380 2.929 1.754 5.182 0.046 2 0 "[ . 1 . 2]" 1
594 1 52 GLN HA 1 96 ASP H 1.800 . 4.420 3.258 2.819 4.011 . 0 0 "[ . 1 . 2]" 1
595 1 53 PRO QD 1 54 ASP H 1.800 . 4.600 2.447 1.933 2.882 . 0 0 "[ . 1 . 2]" 1
596 1 53 PRO QD 1 94 THR MG 1.800 . 4.600 3.489 2.611 4.054 . 0 0 "[ . 1 . 2]" 1
597 1 53 PRO QD 1 96 ASP H 1.800 . 4.600 3.001 2.578 3.618 . 0 0 "[ . 1 . 2]" 1
598 1 54 ASP H 1 54 ASP QB 1.800 . 3.640 2.567 2.273 2.908 . 0 0 "[ . 1 . 2]" 1
599 1 54 ASP QB 1 55 GLY H 1.800 . 4.250 3.186 2.028 3.945 . 0 0 "[ . 1 . 2]" 1
600 1 54 ASP QB 1 94 THR HB 1.800 . 3.870 2.585 1.755 3.910 0.045 14 0 "[ . 1 . 2]" 1
601 1 54 ASP QB 1 94 THR H 1.800 . 4.540 2.998 1.702 3.867 0.098 13 0 "[ . 1 . 2]" 1
602 1 54 ASP H 1 94 THR HB 1.800 . 5.000 3.244 2.365 4.243 . 0 0 "[ . 1 . 2]" 1
603 1 54 ASP H 1 94 THR MG 1.800 . 5.050 4.435 3.792 5.061 0.011 14 0 "[ . 1 . 2]" 1
604 1 55 GLY H 1 56 LYS H 1.800 . 5.130 4.369 3.212 4.606 . 0 0 "[ . 1 . 2]" 1
605 1 55 GLY QA 1 93 GLN QG 1.800 . 5.300 2.727 1.911 4.438 . 0 0 "[ . 1 . 2]" 1
606 1 56 LYS HA 1 56 LYS QD 1.800 . 5.010 3.492 2.039 4.227 . 0 0 "[ . 1 . 2]" 1
607 1 56 LYS HA 1 56 LYS QG 1.800 . 3.770 2.541 2.346 2.966 . 0 0 "[ . 1 . 2]" 1
608 1 56 LYS QB 1 56 LYS QD 1.800 . 4.030 2.233 2.096 2.713 . 0 0 "[ . 1 . 2]" 1
609 1 56 LYS QE 1 56 LYS QG 1.800 . 3.600 2.307 2.134 2.702 . 0 0 "[ . 1 . 2]" 1
610 1 56 LYS H 1 56 LYS QB 1.800 . 3.830 2.672 2.364 2.938 . 0 0 "[ . 1 . 2]" 1
611 1 56 LYS H 1 56 LYS QG 1.800 . 4.910 3.801 2.730 4.384 . 0 0 "[ . 1 . 2]" 1
612 1 56 LYS HA 1 57 GLY H 1.800 . 3.680 2.185 2.114 2.301 . 0 0 "[ . 1 . 2]" 1
613 1 56 LYS QB 1 57 GLY H 1.800 . 3.950 3.432 2.762 3.739 . 0 0 "[ . 1 . 2]" 1
614 1 56 LYS QG 1 57 GLY H 1.800 . 4.700 3.186 2.323 4.658 . 0 0 "[ . 1 . 2]" 1
615 1 56 LYS QB 1 88 SER QB 1.800 . 3.940 2.320 1.728 3.813 0.072 9 0 "[ . 1 . 2]" 1
616 1 56 LYS HB3 1 88 SER HB3 1.800 . 5.400 3.561 1.800 5.013 0.000 1 0 "[ . 1 . 2]" 1
617 1 56 LYS HB2 1 88 SER HB3 1.800 . 5.400 3.749 2.119 5.427 0.027 8 0 "[ . 1 . 2]" 1
618 1 56 LYS H 1 88 SER QB 1.800 . 4.850 3.145 2.147 4.460 . 0 0 "[ . 1 . 2]" 1
619 1 56 LYS H 1 93 GLN QB 1.800 . 4.700 3.946 1.862 4.748 0.048 7 0 "[ . 1 . 2]" 1
620 1 56 LYS H 1 93 GLN QG 1.800 . 5.000 3.107 2.115 4.484 . 0 0 "[ . 1 . 2]" 1
621 1 57 GLY HA3 1 58 SER H 1.800 . 3.640 2.597 2.176 3.010 . 0 0 "[ . 1 . 2]" 1
622 1 57 GLY HA2 1 58 SER H 1.800 . 3.640 2.533 2.152 3.030 . 0 0 "[ . 1 . 2]" 1
623 1 57 GLY H 1 58 SER H 1.800 . 5.020 4.342 4.175 4.395 . 0 0 "[ . 1 . 2]" 1
624 1 57 GLY HA3 1 86 SER HA 1.800 . 5.350 2.848 2.094 3.658 . 0 0 "[ . 1 . 2]" 1
625 1 57 GLY HA2 1 86 SER HA 1.800 . 5.350 3.189 2.280 4.097 . 0 0 "[ . 1 . 2]" 1
626 1 57 GLY QA 1 87 GLN QB 1.800 . 5.130 3.069 1.943 4.789 . 0 0 "[ . 1 . 2]" 1
627 1 57 GLY QA 1 87 GLN QE 1.800 . 5.600 3.854 2.086 5.272 . 0 0 "[ . 1 . 2]" 1
628 1 57 GLY HA3 1 87 GLN QG 1.800 . 5.050 3.599 3.153 5.069 0.019 11 0 "[ . 1 . 2]" 1
629 1 57 GLY HA3 1 87 GLN H 1.800 . 4.720 3.241 2.550 4.311 . 0 0 "[ . 1 . 2]" 1
630 1 57 GLY HA2 1 87 GLN QG 1.800 . 5.050 2.190 1.778 3.486 0.022 3 0 "[ . 1 . 2]" 1
631 1 57 GLY HA2 1 87 GLN H 1.800 . 4.720 2.602 1.849 4.244 . 0 0 "[ . 1 . 2]" 1
632 1 57 GLY H 1 87 GLN QG 1.800 . 5.030 4.321 3.338 5.124 0.094 11 0 "[ . 1 . 2]" 1
633 1 58 SER H 1 58 SER HG 1.800 . 4.210 3.027 1.991 4.291 0.081 16 0 "[ . 1 . 2]" 1
634 1 58 SER HA 1 59 LEU H 1.800 . 3.490 2.147 2.119 2.220 . 0 0 "[ . 1 . 2]" 1
635 1 58 SER HB3 1 59 LEU H 1.800 . 4.550 3.790 2.917 4.430 . 0 0 "[ . 1 . 2]" 1
636 1 58 SER HB2 1 59 LEU H 1.800 . 4.550 4.012 3.077 4.433 . 0 0 "[ . 1 . 2]" 1
637 1 58 SER H 1 59 LEU H 1.800 . 4.940 4.225 3.975 4.375 . 0 0 "[ . 1 . 2]" 1
638 1 58 SER HA 1 66 VAL MG1 1.800 . 5.190 3.463 2.526 4.307 . 0 0 "[ . 1 . 2]" 1
639 1 58 SER HB3 1 66 VAL MG1 1.800 . 5.200 3.028 2.133 4.052 . 0 0 "[ . 1 . 2]" 1
640 1 58 SER HB2 1 66 VAL MG1 1.800 . 4.960 3.590 2.236 4.884 . 0 0 "[ . 1 . 2]" 1
641 1 58 SER H 1 84 TYR HA 1.800 . 4.980 4.585 4.246 4.947 . 0 0 "[ . 1 . 2]" 1
642 1 58 SER H 1 84 TYR QE 1.800 . 4.970 4.054 3.306 4.808 . 0 0 "[ . 1 . 2]" 1
643 1 58 SER QB 1 85 THR MG 1.800 . 5.300 4.153 3.269 5.155 . 0 0 "[ . 1 . 2]" 1
644 1 58 SER HB3 1 85 THR H 1.800 . 5.760 4.936 3.490 5.458 . 0 0 "[ . 1 . 2]" 1
645 1 58 SER HB2 1 85 THR H 1.800 . 5.760 4.081 3.246 5.060 . 0 0 "[ . 1 . 2]" 1
646 1 58 SER H 1 85 THR HB 1.800 . 5.000 3.216 2.605 4.279 . 0 0 "[ . 1 . 2]" 1
647 1 58 SER H 1 85 THR MG 1.800 . 4.880 4.094 3.635 4.733 . 0 0 "[ . 1 . 2]" 1
648 1 58 SER H 1 85 THR H 1.800 . 3.920 3.295 2.846 3.919 . 0 0 "[ . 1 . 2]" 1
649 1 58 SER H 1 86 SER HA 1.800 . 5.420 3.842 3.034 4.494 . 0 0 "[ . 1 . 2]" 1
650 1 58 SER H 1 87 GLN QG 1.800 . 4.790 3.270 2.317 4.792 0.002 11 0 "[ . 1 . 2]" 1
651 1 59 LEU HA 1 59 LEU MD1 1.800 . 3.790 2.031 1.942 2.178 . 0 0 "[ . 1 . 2]" 1
652 1 59 LEU HA 1 59 LEU MD2 1.800 . 4.500 3.865 3.839 3.907 . 0 0 "[ . 1 . 2]" 1
653 1 59 LEU QB 1 59 LEU MD1 1.800 . 3.340 2.302 2.261 2.356 . 0 0 "[ . 1 . 2]" 1
654 1 59 LEU HB3 1 59 LEU MD2 1.800 . 3.860 2.316 2.273 2.369 . 0 0 "[ . 1 . 2]" 1
655 1 59 LEU HB2 1 59 LEU MD2 1.800 . 3.860 2.385 2.328 2.439 . 0 0 "[ . 1 . 2]" 1
656 1 59 LEU H 1 59 LEU HB3 1.800 . 4.230 2.545 2.470 2.676 . 0 0 "[ . 1 . 2]" 1
657 1 59 LEU H 1 59 LEU HB2 1.800 . 4.230 2.760 2.540 3.012 . 0 0 "[ . 1 . 2]" 1
658 1 59 LEU H 1 59 LEU MD1 1.800 . 4.830 4.200 4.052 4.344 . 0 0 "[ . 1 . 2]" 1
659 1 59 LEU H 1 59 LEU MD2 1.800 . 5.170 4.361 4.310 4.496 . 0 0 "[ . 1 . 2]" 1
660 1 59 LEU HA 1 60 LYS H 1.800 . 3.480 2.152 2.118 2.214 . 0 0 "[ . 1 . 2]" 1
661 1 59 LEU HB3 1 60 LYS H 1.800 . 5.090 4.268 4.084 4.378 . 0 0 "[ . 1 . 2]" 1
662 1 59 LEU HB2 1 60 LYS H 1.800 . 5.090 4.381 4.155 4.489 . 0 0 "[ . 1 . 2]" 1
663 1 59 LEU MD1 1 60 LYS H 1.800 . 3.780 2.712 2.283 3.033 . 0 0 "[ . 1 . 2]" 1
664 1 59 LEU MD2 1 60 LYS H 1.800 . 4.990 4.757 4.384 4.976 . 0 0 "[ . 1 . 2]" 1
665 1 59 LEU HG 1 60 LYS H 1.800 . 4.220 3.410 2.913 3.699 . 0 0 "[ . 1 . 2]" 1
666 1 59 LEU H 1 66 VAL MG1 1.800 . 4.660 3.349 2.675 4.015 . 0 0 "[ . 1 . 2]" 1
667 1 59 LEU MD2 1 67 LEU MD1 1.800 . 4.080 2.110 1.781 2.505 0.019 17 0 "[ . 1 . 2]" 1
668 1 59 LEU HG 1 67 LEU MD1 1.800 . 4.730 2.210 1.776 2.796 0.024 20 0 "[ . 1 . 2]" 1
669 1 59 LEU MD1 1 82 LEU QB 1.800 . 4.440 1.819 1.759 1.958 0.041 5 0 "[ . 1 . 2]" 1
670 1 59 LEU MD1 1 82 LEU MD1 1.800 . 4.360 2.577 1.990 2.840 . 0 0 "[ . 1 . 2]" 1
671 1 59 LEU MD2 1 82 LEU HB3 1.800 . 5.430 3.205 2.895 3.621 . 0 0 "[ . 1 . 2]" 1
672 1 59 LEU MD2 1 82 LEU HB2 1.800 . 5.430 4.016 3.503 4.395 . 0 0 "[ . 1 . 2]" 1
673 1 59 LEU MD2 1 82 LEU MD1 1.800 . 3.220 1.891 1.750 2.158 0.050 9 0 "[ . 1 . 2]" 1
674 1 59 LEU MD2 1 82 LEU MD2 1.800 . 3.600 3.152 2.838 3.546 . 0 0 "[ . 1 . 2]" 1
675 1 59 LEU HG 1 82 LEU MD1 1.800 . 4.160 3.181 2.952 3.403 . 0 0 "[ . 1 . 2]" 1
676 1 59 LEU HA 1 83 TYR QB 1.800 . 5.490 4.731 4.301 5.159 . 0 0 "[ . 1 . 2]" 1
677 1 59 LEU MD1 1 83 TYR HA 1.800 . 4.830 3.997 3.613 4.381 . 0 0 "[ . 1 . 2]" 1
678 1 59 LEU MD1 1 83 TYR H 1.800 . 4.790 3.213 2.823 3.558 . 0 0 "[ . 1 . 2]" 1
679 1 59 LEU HA 1 84 TYR HA 1.800 . 5.060 2.280 2.064 2.659 . 0 0 "[ . 1 . 2]" 1
680 1 59 LEU MD1 1 84 TYR HA 1.800 . 4.200 2.497 2.243 2.817 . 0 0 "[ . 1 . 2]" 1
681 1 59 LEU MD1 1 84 TYR QB 1.800 . 3.620 2.043 1.760 2.486 0.040 19 0 "[ . 1 . 2]" 1
682 1 59 LEU MD1 1 84 TYR QD 1.800 . 5.080 2.406 2.057 3.092 . 0 0 "[ . 1 . 2]" 1
683 1 59 LEU MD1 1 84 TYR QE 1.800 . 4.910 4.263 3.847 4.812 . 0 0 "[ . 1 . 2]" 1
684 1 59 LEU MD1 1 84 TYR H 1.800 . 4.270 3.417 3.106 3.774 . 0 0 "[ . 1 . 2]" 1
685 1 59 LEU MD2 1 84 TYR QB 1.800 . 5.350 4.070 3.696 4.629 . 0 0 "[ . 1 . 2]" 1
686 1 59 LEU MD2 1 84 TYR QD 1.800 . 5.160 3.727 3.322 4.386 . 0 0 "[ . 1 . 2]" 1
687 1 59 LEU HA 1 85 THR H 1.800 . 4.590 3.425 3.000 3.773 . 0 0 "[ . 1 . 2]" 1
688 1 59 LEU MD1 1 85 THR H 1.800 . 5.000 4.227 3.921 4.571 . 0 0 "[ . 1 . 2]" 1
689 1 59 LEU MD1 1 95 ILE HB 1.800 . 5.580 5.341 4.924 5.646 0.066 17 0 "[ . 1 . 2]" 1
690 1 59 LEU MD1 1 95 ILE MD 1.800 . 4.820 3.242 2.660 3.842 . 0 0 "[ . 1 . 2]" 1
691 1 59 LEU MD1 1 95 ILE MG 1.800 . 4.900 4.316 3.821 4.609 . 0 0 "[ . 1 . 2]" 1
692 1 59 LEU MD2 1 97 LEU MD1 1.800 . 4.160 3.411 2.606 4.125 . 0 0 "[ . 1 . 2]" 1
693 1 59 LEU MD2 1 97 LEU MD2 1.800 . 3.670 2.392 1.947 3.052 . 0 0 "[ . 1 . 2]" 1
694 1 60 LYS HA 1 60 LYS QD 1.800 . 5.210 4.105 3.512 4.500 . 0 0 "[ . 1 . 2]" 1
695 1 60 LYS HB3 1 60 LYS QD 1.800 . 3.630 2.599 2.285 3.496 . 0 0 "[ . 1 . 2]" 1
696 1 60 LYS HB3 1 60 LYS QE 1.800 . 4.930 3.427 2.174 4.522 . 0 0 "[ . 1 . 2]" 1
697 1 60 LYS HB2 1 60 LYS QD 1.800 . 3.630 2.546 2.164 3.025 . 0 0 "[ . 1 . 2]" 1
698 1 60 LYS HB2 1 60 LYS QE 1.800 . 4.930 3.142 1.856 4.217 . 0 0 "[ . 1 . 2]" 1
699 1 60 LYS H 1 60 LYS HG3 1.800 . 4.620 3.059 2.364 4.641 0.021 14 0 "[ . 1 . 2]" 1
700 1 60 LYS H 1 60 LYS HG2 1.800 . 4.620 3.550 2.026 4.500 . 0 0 "[ . 1 . 2]" 1
701 1 60 LYS HA 1 61 MET H 1.800 . 3.580 2.277 2.153 2.541 . 0 0 "[ . 1 . 2]" 1
702 1 60 LYS HB3 1 61 MET H 1.800 . 4.300 3.188 2.328 4.119 . 0 0 "[ . 1 . 2]" 1
703 1 60 LYS HB2 1 61 MET H 1.800 . 4.300 3.547 2.169 4.164 . 0 0 "[ . 1 . 2]" 1
704 1 60 LYS HA 1 66 VAL HA 1.800 . 4.390 2.376 1.788 3.154 0.012 16 0 "[ . 1 . 2]" 1
705 1 60 LYS HA 1 66 VAL MG2 1.800 . 4.470 3.740 2.820 4.506 0.036 20 0 "[ . 1 . 2]" 1
706 1 60 LYS HB3 1 66 VAL MG2 1.800 . 4.930 3.442 1.766 4.749 0.034 16 0 "[ . 1 . 2]" 1
707 1 60 LYS QD 1 66 VAL HA 1.800 . 5.050 4.545 3.470 5.076 0.026 3 0 "[ . 1 . 2]" 1
708 1 60 LYS QD 1 66 VAL MG2 1.800 . 4.800 3.136 2.236 4.305 . 0 0 "[ . 1 . 2]" 1
709 1 60 LYS QE 1 66 VAL MG2 1.800 . 5.000 3.585 2.081 4.673 . 0 0 "[ . 1 . 2]" 1
710 1 60 LYS HG3 1 66 VAL HA 1.800 . 5.300 4.002 2.242 5.338 0.038 2 0 "[ . 1 . 2]" 1
711 1 60 LYS HA 1 67 LEU MD1 1.800 . 4.770 4.147 3.234 4.798 0.028 14 0 "[ . 1 . 2]" 1
712 1 60 LYS HA 1 67 LEU HG 1.800 . 5.140 3.216 2.419 3.772 . 0 0 "[ . 1 . 2]" 1
713 1 60 LYS HA 1 67 LEU H 1.800 . 4.220 2.906 2.376 3.390 . 0 0 "[ . 1 . 2]" 1
714 1 60 LYS H 1 82 LEU MD2 1.800 . 5.260 4.625 4.110 4.984 . 0 0 "[ . 1 . 2]" 1
715 1 60 LYS QB 1 83 TYR QD 1.800 . 5.270 4.118 3.067 5.296 0.026 15 0 "[ . 1 . 2]" 1
716 1 60 LYS HB3 1 83 TYR QB 1.800 . 4.590 3.913 2.373 4.608 0.018 13 0 "[ . 1 . 2]" 1
717 1 60 LYS HB2 1 83 TYR QB 1.800 . 4.590 3.060 2.011 4.318 . 0 0 "[ . 1 . 2]" 1
718 1 60 LYS HG3 1 83 TYR QB 1.800 . 4.950 3.765 1.917 5.033 0.083 5 0 "[ . 1 . 2]" 1
719 1 60 LYS H 1 83 TYR QB 1.800 . 4.600 3.266 2.756 3.692 . 0 0 "[ . 1 . 2]" 1
720 1 60 LYS H 1 83 TYR H 1.800 . 4.430 3.074 2.650 3.347 . 0 0 "[ . 1 . 2]" 1
721 1 60 LYS H 1 84 TYR HA 1.800 . 4.810 3.415 3.101 3.899 . 0 0 "[ . 1 . 2]" 1
722 1 61 MET HA 1 61 MET ME 1.800 . 5.150 4.016 3.209 4.463 . 0 0 "[ . 1 . 2]" 1
723 1 61 MET QB 1 61 MET ME 1.800 . 3.860 2.168 1.912 3.674 . 0 0 "[ . 1 . 2]" 1
724 1 61 MET ME 1 61 MET HG3 1.800 . 3.500 2.853 2.413 3.409 . 0 0 "[ . 1 . 2]" 1
725 1 61 MET ME 1 61 MET HG2 1.800 . 3.500 2.945 2.414 3.408 . 0 0 "[ . 1 . 2]" 1
726 1 61 MET H 1 61 MET QG 1.800 . 3.900 2.443 1.908 2.908 . 0 0 "[ . 1 . 2]" 1
727 1 61 MET QB 1 62 GLU H 1.800 . 3.700 2.346 1.867 3.680 . 0 0 "[ . 1 . 2]" 1
728 1 61 MET ME 1 62 GLU H 1.800 . 5.250 4.164 2.942 5.291 0.041 8 0 "[ . 1 . 2]" 1
729 1 61 MET HG2 1 62 GLU H 1.800 . 5.270 4.299 3.885 5.095 . 0 0 "[ . 1 . 2]" 1
730 1 61 MET H 1 62 GLU H 1.800 . 5.240 4.469 4.212 4.622 . 0 0 "[ . 1 . 2]" 1
731 1 61 MET QB 1 64 GLY H 1.800 . 4.400 3.366 2.441 4.072 . 0 0 "[ . 1 . 2]" 1
732 1 61 MET H 1 64 GLY H 1.800 . 5.030 3.805 3.354 4.531 . 0 0 "[ . 1 . 2]" 1
733 1 61 MET ME 1 65 THR HB 1.800 . 4.970 3.521 1.922 5.014 0.044 18 0 "[ . 1 . 2]" 1
734 1 61 MET QG 1 65 THR HB 1.800 . 4.720 3.127 1.959 4.176 . 0 0 "[ . 1 . 2]" 1
735 1 61 MET QG 1 65 THR MG 1.800 . 5.000 3.699 2.658 4.977 . 0 0 "[ . 1 . 2]" 1
736 1 61 MET H 1 65 THR HB 1.800 . 5.070 3.551 2.681 4.306 . 0 0 "[ . 1 . 2]" 1
737 1 61 MET H 1 66 VAL HA 1.800 . 4.940 3.805 2.949 4.920 . 0 0 "[ . 1 . 2]" 1
738 1 61 MET QB 1 67 LEU MD1 1.800 . 5.100 4.364 3.144 4.883 . 0 0 "[ . 1 . 2]" 1
739 1 61 MET ME 1 67 LEU MD1 1.800 . 4.320 3.894 1.783 4.379 0.059 15 0 "[ . 1 . 2]" 1
740 1 61 MET ME 1 67 LEU MD2 1.800 . 4.300 3.201 1.993 4.151 . 0 0 "[ . 1 . 2]" 1
741 1 61 MET QG 1 67 LEU MD1 1.800 . 3.330 2.624 1.944 3.352 0.022 10 0 "[ . 1 . 2]" 1
742 1 61 MET QG 1 67 LEU MD2 1.800 . 3.650 2.378 1.905 3.072 . 0 0 "[ . 1 . 2]" 1
743 1 61 MET HG3 1 67 LEU HG 1.800 . 4.320 3.276 2.374 4.405 0.085 10 0 "[ . 1 . 2]" 1
744 1 61 MET HG2 1 67 LEU HG 1.800 . 4.320 3.620 2.631 4.353 0.033 9 0 "[ . 1 . 2]" 1
745 1 61 MET H 1 67 LEU MD1 1.800 . 4.640 4.335 3.416 4.671 0.031 7 0 "[ . 1 . 2]" 1
746 1 61 MET H 1 67 LEU HG 1.800 . 5.100 3.715 3.125 4.313 . 0 0 "[ . 1 . 2]" 1
747 1 61 MET ME 1 75 LEU MD1 1.800 . 5.000 3.774 1.776 5.032 0.032 4 0 "[ . 1 . 2]" 1
748 1 61 MET HA 1 82 LEU MD2 1.800 . 4.390 2.412 1.833 3.008 . 0 0 "[ . 1 . 2]" 1
749 1 61 MET ME 1 82 LEU MD2 1.800 . 4.700 3.661 2.425 4.589 . 0 0 "[ . 1 . 2]" 1
750 1 61 MET QG 1 82 LEU MD2 1.800 . 3.640 2.588 1.883 3.575 . 0 0 "[ . 1 . 2]" 1
751 1 61 MET H 1 82 LEU MD2 1.800 . 5.150 4.234 3.704 4.587 . 0 0 "[ . 1 . 2]" 1
752 1 62 GLU HA 1 62 GLU HG3 1.800 . 3.890 3.178 2.452 3.787 . 0 0 "[ . 1 . 2]" 1
753 1 62 GLU HA 1 62 GLU HG2 1.800 . 3.890 2.625 2.385 3.638 . 0 0 "[ . 1 . 2]" 1
754 1 62 GLU H 1 62 GLU QB 1.800 . 3.480 2.508 2.077 3.280 . 0 0 "[ . 1 . 2]" 1
755 1 62 GLU H 1 62 GLU QG 1.800 . 4.380 2.497 1.990 3.915 . 0 0 "[ . 1 . 2]" 1
756 1 62 GLU QB 1 63 ASP H 1.800 . 3.900 2.957 1.822 3.841 . 0 0 "[ . 1 . 2]" 1
757 1 62 GLU H 1 63 ASP H 1.800 . 4.170 3.139 2.454 4.290 0.120 8 0 "[ . 1 . 2]" 1
758 1 62 GLU HG3 1 81 ARG HB3 1.800 . 5.200 4.049 2.494 5.314 0.114 20 0 "[ . 1 . 2]" 1
759 1 62 GLU HG3 1 81 ARG HB2 1.800 . 5.200 3.406 2.005 5.042 . 0 0 "[ . 1 . 2]" 1
760 1 62 GLU HG3 1 81 ARG H 1.800 . 5.200 3.191 2.287 4.451 . 0 0 "[ . 1 . 2]" 1
761 1 62 GLU HG2 1 81 ARG HB3 1.800 . 5.400 3.742 2.228 5.458 0.058 1 0 "[ . 1 . 2]" 1
762 1 62 GLU HG2 1 81 ARG HB2 1.800 . 5.470 3.220 1.764 5.157 0.036 15 0 "[ . 1 . 2]" 1
763 1 62 GLU HG2 1 81 ARG H 1.800 . 5.200 3.688 2.445 4.966 . 0 0 "[ . 1 . 2]" 1
764 1 62 GLU H 1 82 LEU MD2 1.800 . 4.830 3.850 2.770 4.551 . 0 0 "[ . 1 . 2]" 1
765 1 63 ASP H 1 63 ASP QB 1.800 . 3.320 2.535 2.145 3.006 . 0 0 "[ . 1 . 2]" 1
766 1 63 ASP HA 1 64 GLY H 1.800 . 3.930 3.218 2.612 3.507 . 0 0 "[ . 1 . 2]" 1
767 1 63 ASP QB 1 64 GLY H 1.800 . 4.290 3.473 2.833 4.070 . 0 0 "[ . 1 . 2]" 1
768 1 64 GLY H 1 65 THR H 1.800 . 4.700 3.265 2.054 4.609 . 0 0 "[ . 1 . 2]" 1
769 1 65 THR HA 1 65 THR MG 1.800 . 3.470 2.364 2.260 2.470 . 0 0 "[ . 1 . 2]" 1
770 1 65 THR H 1 65 THR MG 1.800 . 4.490 3.861 3.668 4.091 . 0 0 "[ . 1 . 2]" 1
771 1 65 THR HA 1 66 VAL H 1.800 . 3.690 2.172 2.113 2.293 . 0 0 "[ . 1 . 2]" 1
772 1 65 THR HB 1 66 VAL H 1.800 . 5.180 4.245 3.819 4.479 . 0 0 "[ . 1 . 2]" 1
773 1 65 THR MG 1 66 VAL H 1.800 . 3.800 2.931 2.392 3.559 . 0 0 "[ . 1 . 2]" 1
774 1 65 THR H 1 66 VAL H 1.800 . 5.020 4.124 3.337 4.612 . 0 0 "[ . 1 . 2]" 1
775 1 65 THR HB 1 67 LEU MD2 1.800 . 5.120 3.739 3.242 4.319 . 0 0 "[ . 1 . 2]" 1
776 1 65 THR MG 1 67 LEU HA 1.800 . 5.140 3.772 3.053 4.174 . 0 0 "[ . 1 . 2]" 1
777 1 65 THR MG 1 67 LEU MD2 1.800 . 3.530 2.785 1.966 3.544 0.014 1 0 "[ . 1 . 2]" 1
778 1 65 THR MG 1 73 TYR QD 1.800 . 5.040 3.926 3.002 5.063 0.023 4 0 "[ . 1 . 2]" 1
779 1 65 THR MG 1 73 TYR QE 1.800 . 4.290 3.050 2.157 4.282 . 0 0 "[ . 1 . 2]" 1
780 1 66 VAL HA 1 66 VAL MG1 1.800 . 3.650 2.376 2.343 2.410 . 0 0 "[ . 1 . 2]" 1
781 1 66 VAL HA 1 66 VAL MG2 1.800 . 3.700 2.419 2.352 2.454 . 0 0 "[ . 1 . 2]" 1
782 1 66 VAL H 1 66 VAL HB 1.800 . 3.400 2.550 2.507 2.585 . 0 0 "[ . 1 . 2]" 1
783 1 66 VAL H 1 66 VAL MG2 1.800 . 3.660 2.214 2.066 2.335 . 0 0 "[ . 1 . 2]" 1
784 1 66 VAL HA 1 67 LEU H 1.800 . 3.470 2.147 2.092 2.203 . 0 0 "[ . 1 . 2]" 1
785 1 66 VAL HB 1 67 LEU H 1.800 . 5.030 4.169 3.988 4.359 . 0 0 "[ . 1 . 2]" 1
786 1 66 VAL MG1 1 67 LEU H 1.800 . 3.670 2.730 2.449 3.108 . 0 0 "[ . 1 . 2]" 1
787 1 67 LEU HA 1 67 LEU MD1 1.800 . 4.620 3.876 3.801 3.926 . 0 0 "[ . 1 . 2]" 1
788 1 67 LEU HA 1 67 LEU MD2 1.800 . 3.930 2.078 1.929 2.200 . 0 0 "[ . 1 . 2]" 1
789 1 67 LEU HA 1 67 LEU HG 1.800 . 4.210 3.165 2.964 3.301 . 0 0 "[ . 1 . 2]" 1
790 1 67 LEU QB 1 67 LEU MD1 1.800 . 3.330 2.102 2.093 2.118 . 0 0 "[ . 1 . 2]" 1
791 1 67 LEU QB 1 67 LEU MD2 1.800 . 3.510 2.312 2.218 2.364 . 0 0 "[ . 1 . 2]" 1
792 1 67 LEU H 1 67 LEU QB 1.800 . 3.710 2.469 2.375 2.547 . 0 0 "[ . 1 . 2]" 1
793 1 67 LEU H 1 67 LEU MD1 1.800 . 4.000 3.639 3.421 3.817 . 0 0 "[ . 1 . 2]" 1
794 1 67 LEU H 1 67 LEU MD2 1.800 . 4.660 3.319 3.033 3.733 . 0 0 "[ . 1 . 2]" 1
795 1 67 LEU H 1 67 LEU HG 1.800 . 4.000 2.319 2.045 2.567 . 0 0 "[ . 1 . 2]" 1
796 1 67 LEU HA 1 68 LYS H 1.800 . 3.650 2.211 2.110 2.357 . 0 0 "[ . 1 . 2]" 1
797 1 67 LEU QB 1 68 LYS H 1.800 . 4.430 3.000 2.555 3.457 . 0 0 "[ . 1 . 2]" 1
798 1 67 LEU MD2 1 68 LYS H 1.800 . 4.230 3.665 3.335 3.874 . 0 0 "[ . 1 . 2]" 1
799 1 67 LEU HG 1 68 LYS H 1.800 . 5.460 5.109 4.929 5.281 . 0 0 "[ . 1 . 2]" 1
800 1 67 LEU HA 1 73 TYR QE 1.800 . 5.000 2.793 1.878 3.778 . 0 0 "[ . 1 . 2]" 1
801 1 67 LEU QB 1 73 TYR QE 1.800 . 5.000 3.491 2.151 4.712 . 0 0 "[ . 1 . 2]" 1
802 1 67 LEU MD1 1 73 TYR QD 1.800 . 5.270 4.326 3.331 4.763 . 0 0 "[ . 1 . 2]" 1
803 1 67 LEU MD1 1 73 TYR QE 1.800 . 5.350 4.760 3.422 5.360 0.010 10 0 "[ . 1 . 2]" 1
804 1 67 LEU MD2 1 73 TYR QB 1.800 . 4.530 3.209 2.719 3.745 . 0 0 "[ . 1 . 2]" 1
805 1 67 LEU MD2 1 73 TYR QD 1.800 . 3.970 2.822 2.285 3.387 . 0 0 "[ . 1 . 2]" 1
806 1 67 LEU MD2 1 73 TYR QE 1.800 . 4.040 2.984 2.562 3.535 . 0 0 "[ . 1 . 2]" 1
807 1 67 LEU MD1 1 82 LEU MD2 1.800 . 3.390 2.298 1.907 2.771 . 0 0 "[ . 1 . 2]" 1
808 1 67 LEU MD2 1 82 LEU MD2 1.800 . 5.020 3.843 3.493 4.303 . 0 0 "[ . 1 . 2]" 1
809 1 68 LYS HA 1 68 LYS QG 1.800 . 3.860 2.554 2.379 3.353 . 0 0 "[ . 1 . 2]" 1
810 1 68 LYS QB 1 68 LYS QE 1.800 . 3.800 2.808 1.782 3.835 0.035 7 0 "[ . 1 . 2]" 1
811 1 68 LYS QE 1 68 LYS QG 1.800 . 3.620 2.380 2.132 2.870 . 0 0 "[ . 1 . 2]" 1
812 1 68 LYS H 1 68 LYS QB 1.800 . 3.860 2.490 2.251 3.134 . 0 0 "[ . 1 . 2]" 1
813 1 68 LYS H 1 68 LYS QD 1.800 . 5.050 4.289 3.475 4.782 . 0 0 "[ . 1 . 2]" 1
814 1 68 LYS H 1 68 LYS QG 1.800 . 4.260 3.092 2.089 4.135 . 0 0 "[ . 1 . 2]" 1
815 1 68 LYS QB 1 71 ASP QB 1.800 . 4.160 2.325 1.785 3.766 0.015 16 0 "[ . 1 . 2]" 1
816 1 68 LYS H 1 73 TYR QE 1.800 . 5.000 2.433 1.729 3.736 0.071 10 0 "[ . 1 . 2]" 1
817 1 69 PRO HA 1 70 ASN H 1.800 . 3.860 2.231 2.095 2.490 . 0 0 "[ . 1 . 2]" 1
818 1 69 PRO QB 1 70 ASN H 1.800 . 4.330 3.523 3.093 3.938 . 0 0 "[ . 1 . 2]" 1
819 1 69 PRO QG 1 70 ASN H 1.800 . 5.350 4.743 4.582 4.920 . 0 0 "[ . 1 . 2]" 1
820 1 70 ASN HA 1 70 ASN QD 1.800 . 5.150 3.432 1.779 4.089 0.021 13 0 "[ . 1 . 2]" 1
821 1 70 ASN QB 1 71 ASP H 1.800 . 4.260 3.235 2.554 4.085 . 0 0 "[ . 1 . 2]" 1
822 1 70 ASN H 1 71 ASP H 1.800 . 4.070 2.410 1.774 3.243 0.026 6 0 "[ . 1 . 2]" 1
823 1 71 ASP H 1 71 ASP QB 1.800 . 3.250 2.357 2.108 2.726 . 0 0 "[ . 1 . 2]" 1
824 1 71 ASP HA 1 72 ARG H 1.800 . 3.260 2.458 2.187 3.398 0.138 5 0 "[ . 1 . 2]" 1
825 1 71 ASP QB 1 72 ARG H 1.800 . 4.270 3.087 2.119 3.767 . 0 0 "[ . 1 . 2]" 1
826 1 71 ASP H 1 72 ARG H 1.800 . 4.840 4.410 2.266 4.596 . 0 0 "[ . 1 . 2]" 1
827 1 71 ASP QB 1 73 TYR QE 1.800 . 4.600 2.955 2.156 4.242 . 0 0 "[ . 1 . 2]" 1
828 1 72 ARG HA 1 72 ARG QD 1.800 . 4.790 4.086 3.462 4.565 . 0 0 "[ . 1 . 2]" 1
829 1 72 ARG QB 1 72 ARG QD 1.800 . 3.630 2.211 2.085 2.377 . 0 0 "[ . 1 . 2]" 1
830 1 72 ARG H 1 72 ARG QB 1.800 . 3.540 2.822 2.336 3.375 . 0 0 "[ . 1 . 2]" 1
831 1 72 ARG H 1 72 ARG QD 1.800 . 4.800 4.065 1.943 4.920 0.120 15 0 "[ . 1 . 2]" 1
832 1 72 ARG H 1 72 ARG QG 1.800 . 4.150 2.606 1.919 4.193 0.043 15 0 "[ . 1 . 2]" 1
833 1 72 ARG QB 1 73 TYR H 1.800 . 4.200 3.219 2.394 3.971 . 0 0 "[ . 1 . 2]" 1
834 1 72 ARG H 1 73 TYR H 1.800 . 5.200 4.246 3.627 4.563 . 0 0 "[ . 1 . 2]" 1
835 1 73 TYR HA 1 73 TYR QD 1.800 . 4.320 2.944 2.776 3.083 . 0 0 "[ . 1 . 2]" 1
836 1 73 TYR H 1 73 TYR QD 1.800 . 4.430 2.892 2.293 3.531 . 0 0 "[ . 1 . 2]" 1
837 1 73 TYR HA 1 74 LEU H 1.800 . 3.340 2.266 2.108 2.709 . 0 0 "[ . 1 . 2]" 1
838 1 73 TYR QB 1 74 LEU H 1.800 . 4.170 2.854 1.963 3.541 . 0 0 "[ . 1 . 2]" 1
839 1 73 TYR QD 1 74 LEU H 1.800 . 4.690 3.828 3.338 4.567 . 0 0 "[ . 1 . 2]" 1
840 1 73 TYR H 1 74 LEU H 1.800 . 5.250 4.425 4.153 4.554 . 0 0 "[ . 1 . 2]" 1
841 1 74 LEU HA 1 74 LEU MD1 1.800 . 4.400 2.849 1.879 4.105 . 0 0 "[ . 1 . 2]" 1
842 1 74 LEU QB 1 74 LEU MD2 1.800 . 3.510 2.184 2.084 2.358 . 0 0 "[ . 1 . 2]" 1
843 1 74 LEU H 1 74 LEU HB3 1.800 . 4.100 2.904 2.396 3.759 . 0 0 "[ . 1 . 2]" 1
844 1 74 LEU H 1 74 LEU HB2 1.800 . 4.100 2.849 2.380 3.825 . 0 0 "[ . 1 . 2]" 1
845 1 74 LEU H 1 74 LEU MD1 1.800 . 4.800 4.042 3.299 4.520 . 0 0 "[ . 1 . 2]" 1
846 1 74 LEU H 1 74 LEU MD2 1.800 . 4.430 3.303 1.727 4.387 0.073 13 0 "[ . 1 . 2]" 1
847 1 74 LEU H 1 74 LEU HG 1.800 . 5.300 4.075 2.687 4.626 . 0 0 "[ . 1 . 2]" 1
848 1 74 LEU HA 1 75 LEU H 1.800 . 3.630 2.237 2.132 3.278 . 0 0 "[ . 1 . 2]" 1
849 1 74 LEU HB3 1 75 LEU H 1.800 . 5.210 3.929 2.926 4.451 . 0 0 "[ . 1 . 2]" 1
850 1 74 LEU HB2 1 75 LEU H 1.800 . 5.210 4.051 3.061 4.563 . 0 0 "[ . 1 . 2]" 1
851 1 74 LEU MD1 1 75 LEU H 1.800 . 5.200 3.823 2.317 4.997 . 0 0 "[ . 1 . 2]" 1
852 1 75 LEU HA 1 75 LEU MD1 1.800 . 4.420 3.263 1.849 4.118 . 0 0 "[ . 1 . 2]" 1
853 1 75 LEU HA 1 75 LEU MD2 1.800 . 3.850 2.938 1.930 3.882 0.032 4 0 "[ . 1 . 2]" 1
854 1 75 LEU HB3 1 75 LEU MD1 1.800 . 4.060 2.646 2.337 3.198 . 0 0 "[ . 1 . 2]" 1
855 1 75 LEU HB3 1 75 LEU MD2 1.800 . 3.770 2.415 2.221 3.201 . 0 0 "[ . 1 . 2]" 1
856 1 75 LEU HB2 1 75 LEU MD1 1.800 . 4.060 2.401 2.201 3.198 . 0 0 "[ . 1 . 2]" 1
857 1 75 LEU HB2 1 75 LEU MD2 1.800 . 3.770 2.884 2.281 3.206 . 0 0 "[ . 1 . 2]" 1
858 1 75 LEU H 1 75 LEU MD2 1.800 . 5.000 3.420 1.783 4.993 0.017 12 0 "[ . 1 . 2]" 1
859 1 75 LEU H 1 75 LEU HG 1.800 . 4.700 3.525 2.722 4.847 0.147 14 0 "[ . 1 . 2]" 1
860 1 75 LEU HA 1 76 ASN H 1.800 . 3.360 2.313 2.098 3.524 0.164 12 0 "[ . 1 . 2]" 1
861 1 75 LEU HB3 1 76 ASN H 1.800 . 5.050 3.535 1.923 4.396 . 0 0 "[ . 1 . 2]" 1
862 1 75 LEU HB2 1 76 ASN H 1.800 . 5.050 3.854 2.013 4.552 . 0 0 "[ . 1 . 2]" 1
863 1 75 LEU MD1 1 76 ASN H 1.800 . 5.490 4.081 2.011 5.422 . 0 0 "[ . 1 . 2]" 1
864 1 75 LEU MD2 1 76 ASN H 1.800 . 5.000 4.086 2.883 5.005 0.005 4 0 "[ . 1 . 2]" 1
865 1 75 LEU H 1 76 ASN H 1.800 . 5.200 4.212 2.812 4.594 . 0 0 "[ . 1 . 2]" 1
866 1 76 ASN H 1 76 ASN QB 1.800 . 3.540 2.452 2.246 3.057 . 0 0 "[ . 1 . 2]" 1
867 1 76 ASN H 1 76 ASN QD 1.800 . 4.740 4.103 2.253 4.534 . 0 0 "[ . 1 . 2]" 1
868 1 76 ASN QB 1 77 GLU H 1.800 . 3.770 2.952 2.151 3.930 0.160 3 0 "[ . 1 . 2]" 1
869 1 76 ASN H 1 77 GLU H 1.800 . 4.500 2.393 1.780 4.551 0.051 6 0 "[ . 1 . 2]" 1
870 1 77 GLU H 1 77 GLU QG 1.800 . 4.200 3.165 1.801 4.186 . 0 0 "[ . 1 . 2]" 1
871 1 77 GLU HA 1 78 TRP H 1.800 . 3.380 2.284 2.134 2.660 . 0 0 "[ . 1 . 2]" 1
872 1 77 GLU HB3 1 78 TRP H 1.800 . 4.370 3.233 2.281 4.113 . 0 0 "[ . 1 . 2]" 1
873 1 77 GLU HB2 1 78 TRP H 1.800 . 4.370 3.827 2.138 4.250 . 0 0 "[ . 1 . 2]" 1
874 1 77 GLU QG 1 78 TRP H 1.800 . 4.510 3.505 1.885 4.579 0.069 17 0 "[ . 1 . 2]" 1
875 1 77 GLU H 1 78 TRP H 1.800 . 5.260 4.480 4.333 4.556 . 0 0 "[ . 1 . 2]" 1
876 1 78 TRP HA 1 78 TRP HD1 1.800 . 4.540 3.723 1.866 4.670 0.130 6 0 "[ . 1 . 2]" 1
877 1 78 TRP H 1 78 TRP HD1 1.800 . 4.870 2.984 2.165 4.761 . 0 0 "[ . 1 . 2]" 1
878 1 78 TRP HB3 1 79 LYS H 1.800 . 5.050 4.097 3.396 4.408 . 0 0 "[ . 1 . 2]" 1
879 1 78 TRP HB2 1 79 LYS H 1.800 . 5.050 3.380 2.268 4.155 . 0 0 "[ . 1 . 2]" 1
880 1 78 TRP H 1 79 LYS H 1.800 . 3.800 2.392 1.917 3.700 . 0 0 "[ . 1 . 2]" 1
881 1 79 LYS QB 1 79 LYS QD 1.800 . 3.650 2.194 2.101 2.368 . 0 0 "[ . 1 . 2]" 1
882 1 79 LYS HB3 1 79 LYS QE 1.800 . 4.850 3.496 1.842 4.221 . 0 0 "[ . 1 . 2]" 1
883 1 79 LYS HB2 1 79 LYS QE 1.800 . 4.850 3.717 1.996 4.472 . 0 0 "[ . 1 . 2]" 1
884 1 79 LYS QE 1 79 LYS HG3 1.800 . 3.630 2.729 2.340 3.442 . 0 0 "[ . 1 . 2]" 1
885 1 79 LYS QE 1 79 LYS HG2 1.800 . 4.130 2.579 2.274 3.410 . 0 0 "[ . 1 . 2]" 1
886 1 79 LYS H 1 79 LYS HB3 1.800 . 3.900 2.996 2.422 3.799 . 0 0 "[ . 1 . 2]" 1
887 1 79 LYS H 1 79 LYS HB2 1.800 . 3.900 3.018 2.580 3.902 0.002 15 0 "[ . 1 . 2]" 1
888 1 79 LYS H 1 79 LYS QD 1.800 . 5.290 4.304 2.121 5.129 . 0 0 "[ . 1 . 2]" 1
889 1 79 LYS H 1 79 LYS HG3 1.800 . 5.280 4.129 2.810 4.987 . 0 0 "[ . 1 . 2]" 1
890 1 79 LYS H 1 79 LYS HG2 1.800 . 5.280 4.175 2.171 4.689 . 0 0 "[ . 1 . 2]" 1
891 1 79 LYS HA 1 80 PHE H 1.800 . 3.630 2.187 2.143 2.255 . 0 0 "[ . 1 . 2]" 1
892 1 79 LYS QB 1 80 PHE H 1.800 . 4.460 3.523 2.732 3.843 . 0 0 "[ . 1 . 2]" 1
893 1 79 LYS HG2 1 80 PHE H 1.800 . 4.610 3.614 2.869 4.736 0.126 5 0 "[ . 1 . 2]" 1
894 1 79 LYS H 1 80 PHE H 1.800 . 4.870 4.338 4.248 4.446 . 0 0 "[ . 1 . 2]" 1
895 1 80 PHE HA 1 80 PHE QD 1.800 . 4.870 3.479 2.604 3.744 . 0 0 "[ . 1 . 2]" 1
896 1 80 PHE H 1 80 PHE QD 1.800 . 4.560 3.619 3.023 4.563 0.003 20 0 "[ . 1 . 2]" 1
897 1 80 PHE HA 1 81 ARG H 1.800 . 3.410 2.406 2.293 2.594 . 0 0 "[ . 1 . 2]" 1
898 1 80 PHE HB3 1 81 ARG H 1.800 . 4.300 3.569 3.280 3.731 . 0 0 "[ . 1 . 2]" 1
899 1 80 PHE HB2 1 81 ARG H 1.800 . 4.300 2.739 1.909 4.090 . 0 0 "[ . 1 . 2]" 1
900 1 80 PHE QD 1 81 ARG H 1.800 . 4.110 3.275 2.666 3.746 . 0 0 "[ . 1 . 2]" 1
901 1 80 PHE QD 1 82 LEU MD1 1.800 . 4.230 3.582 3.036 4.244 0.014 20 0 "[ . 1 . 2]" 1
902 1 80 PHE QD 1 82 LEU MD2 1.800 . 3.720 2.520 2.042 2.859 . 0 0 "[ . 1 . 2]" 1
903 1 80 PHE QD 1 82 LEU HG 1.800 . 4.420 2.451 1.886 3.230 . 0 0 "[ . 1 . 2]" 1
904 1 81 ARG HA 1 81 ARG QD 1.800 . 5.060 4.037 2.866 4.410 . 0 0 "[ . 1 . 2]" 1
905 1 81 ARG HA 1 81 ARG QG 1.800 . 3.780 2.566 2.369 3.350 . 0 0 "[ . 1 . 2]" 1
906 1 81 ARG QB 1 81 ARG QD 1.800 . 3.600 2.291 2.062 2.921 . 0 0 "[ . 1 . 2]" 1
907 1 81 ARG H 1 81 ARG QB 1.800 . 3.590 2.571 2.354 3.047 . 0 0 "[ . 1 . 2]" 1
908 1 81 ARG H 1 81 ARG QD 1.800 . 5.490 4.282 1.950 5.201 . 0 0 "[ . 1 . 2]" 1
909 1 81 ARG H 1 81 ARG QG 1.800 . 4.500 3.163 2.142 4.140 . 0 0 "[ . 1 . 2]" 1
910 1 81 ARG HA 1 82 LEU H 1.800 . 3.380 2.195 2.151 2.321 . 0 0 "[ . 1 . 2]" 1
911 1 81 ARG QB 1 82 LEU H 1.800 . 4.300 3.191 2.819 3.786 . 0 0 "[ . 1 . 2]" 1
912 1 81 ARG QG 1 82 LEU H 1.800 . 4.300 3.722 2.519 4.374 0.074 6 0 "[ . 1 . 2]" 1
913 1 82 LEU HA 1 82 LEU MD1 1.800 . 4.490 3.869 3.832 3.896 . 0 0 "[ . 1 . 2]" 1
914 1 82 LEU HA 1 82 LEU MD2 1.800 . 3.890 2.034 1.951 2.108 . 0 0 "[ . 1 . 2]" 1
915 1 82 LEU HB3 1 82 LEU MD1 1.800 . 3.480 2.393 2.348 2.450 . 0 0 "[ . 1 . 2]" 1
916 1 82 LEU HB3 1 82 LEU MD2 1.800 . 3.640 2.353 2.296 2.402 . 0 0 "[ . 1 . 2]" 1
917 1 82 LEU HB2 1 82 LEU MD1 1.800 . 3.480 2.312 2.271 2.348 . 0 0 "[ . 1 . 2]" 1
918 1 82 LEU HB2 1 82 LEU MD2 1.800 . 3.640 3.196 3.186 3.203 . 0 0 "[ . 1 . 2]" 1
919 1 82 LEU H 1 82 LEU MD1 1.800 . 4.720 3.954 3.873 4.058 . 0 0 "[ . 1 . 2]" 1
920 1 82 LEU H 1 82 LEU MD2 1.800 . 4.730 3.752 3.612 3.899 . 0 0 "[ . 1 . 2]" 1
921 1 82 LEU H 1 82 LEU HG 1.800 . 4.090 2.900 2.710 3.010 . 0 0 "[ . 1 . 2]" 1
922 1 82 LEU HA 1 83 TYR H 1.800 . 3.590 2.213 2.142 2.343 . 0 0 "[ . 1 . 2]" 1
923 1 82 LEU HB3 1 83 TYR H 1.800 . 5.080 2.961 2.578 3.055 . 0 0 "[ . 1 . 2]" 1
924 1 82 LEU HB2 1 83 TYR H 1.800 . 5.080 3.999 3.749 4.073 . 0 0 "[ . 1 . 2]" 1
925 1 82 LEU MD2 1 83 TYR H 1.800 . 4.150 3.487 3.352 3.642 . 0 0 "[ . 1 . 2]" 1
926 1 83 TYR HA 1 83 TYR QD 1.800 . 4.500 2.935 2.000 3.165 . 0 0 "[ . 1 . 2]" 1
927 1 83 TYR H 1 83 TYR QD 1.800 . 4.110 2.853 2.313 3.798 . 0 0 "[ . 1 . 2]" 1
928 1 83 TYR HA 1 84 TYR H 1.800 . 3.360 2.147 2.099 2.181 . 0 0 "[ . 1 . 2]" 1
929 1 83 TYR H 1 84 TYR H 1.800 . 4.920 4.203 4.100 4.336 . 0 0 "[ . 1 . 2]" 1
930 1 83 TYR QB 1 85 THR HG1 1.800 . 5.000 4.023 3.532 4.462 . 0 0 "[ . 1 . 2]" 1
931 1 84 TYR H 1 84 TYR QB 1.800 . 3.600 2.381 2.336 2.455 . 0 0 "[ . 1 . 2]" 1
932 1 84 TYR H 1 84 TYR QD 1.800 . 4.720 4.270 4.227 4.322 . 0 0 "[ . 1 . 2]" 1
933 1 84 TYR HA 1 85 THR H 1.800 . 3.450 2.143 2.101 2.188 . 0 0 "[ . 1 . 2]" 1
934 1 84 TYR QB 1 85 THR H 1.800 . 4.420 3.920 3.789 3.982 . 0 0 "[ . 1 . 2]" 1
935 1 84 TYR H 1 85 THR H 1.800 . 5.100 4.214 4.081 4.335 . 0 0 "[ . 1 . 2]" 1
936 1 84 TYR QB 1 95 ILE MD 1.800 . 4.550 3.582 3.164 4.579 0.029 1 0 "[ . 1 . 2]" 1
937 1 84 TYR QD 1 95 ILE MG 1.800 . 4.100 3.658 3.175 4.113 0.013 17 0 "[ . 1 . 2]" 1
938 1 85 THR HA 1 85 THR MG 1.800 . 4.070 2.369 2.279 2.410 . 0 0 "[ . 1 . 2]" 1
939 1 85 THR H 1 85 THR HB 1.800 . 3.760 2.562 2.489 2.710 . 0 0 "[ . 1 . 2]" 1
940 1 85 THR H 1 85 THR HG1 1.800 . 4.390 3.081 2.396 3.383 . 0 0 "[ . 1 . 2]" 1
941 1 85 THR H 1 85 THR MG 1.800 . 4.310 3.810 3.782 3.845 . 0 0 "[ . 1 . 2]" 1
942 1 85 THR HA 1 86 SER H 1.800 . 3.810 2.154 2.112 2.183 . 0 0 "[ . 1 . 2]" 1
943 1 85 THR MG 1 86 SER H 1.800 . 4.180 2.995 2.611 3.206 . 0 0 "[ . 1 . 2]" 1
944 1 85 THR MG 1 87 GLN HA 1.800 . 4.830 4.243 3.633 4.937 0.107 1 0 "[ . 1 . 2]" 1
945 1 85 THR MG 1 87 GLN QG 1.800 . 4.740 3.647 2.700 4.742 0.002 17 0 "[ . 1 . 2]" 1
946 1 86 SER H 1 86 SER HG 1.800 . 5.680 3.065 2.052 4.509 . 0 0 "[ . 1 . 2]" 1
947 1 86 SER HA 1 87 GLN H 1.800 . 3.830 2.199 2.128 2.530 . 0 0 "[ . 1 . 2]" 1
948 1 86 SER QB 1 87 GLN H 1.800 . 4.300 3.163 2.309 3.592 . 0 0 "[ . 1 . 2]" 1
949 1 86 SER HG 1 87 GLN H 1.800 . 5.250 4.756 3.648 5.374 0.124 5 0 "[ . 1 . 2]" 1
950 1 87 GLN HA 1 87 GLN QE 1.800 . 5.090 4.004 1.719 4.855 0.081 16 0 "[ . 1 . 2]" 1
951 1 87 GLN H 1 87 GLN QG 1.800 . 4.940 2.620 1.899 3.142 . 0 0 "[ . 1 . 2]" 1
952 1 87 GLN HB3 1 88 SER H 1.800 . 4.570 4.125 2.036 4.607 0.037 12 0 "[ . 1 . 2]" 1
953 1 87 GLN HB2 1 88 SER H 1.800 . 4.570 3.679 2.604 4.437 . 0 0 "[ . 1 . 2]" 1
954 1 88 SER H 1 88 SER QB 1.800 . 3.620 2.740 2.411 3.275 . 0 0 "[ . 1 . 2]" 1
955 1 88 SER HA 1 89 ASP H 1.800 . 3.600 2.474 2.125 3.438 . 0 0 "[ . 1 . 2]" 1
956 1 88 SER QB 1 89 ASP H 1.800 . 4.200 3.159 1.831 3.987 . 0 0 "[ . 1 . 2]" 1
957 1 89 ASP H 1 89 ASP HB3 1.800 . 3.800 2.882 2.349 4.022 0.222 4 0 "[ . 1 . 2]" 1
958 1 89 ASP H 1 89 ASP HB2 1.800 . 3.800 3.141 2.520 3.816 0.016 15 0 "[ . 1 . 2]" 1
959 1 89 ASP QB 1 90 LYS H 1.800 . 4.300 3.317 2.216 3.940 . 0 0 "[ . 1 . 2]" 1
960 1 89 ASP H 1 90 LYS H 1.800 . 4.600 3.363 1.887 4.603 0.003 18 0 "[ . 1 . 2]" 1
961 1 90 LYS HA 1 90 LYS QD 1.800 . 4.500 3.722 1.871 4.529 0.029 18 0 "[ . 1 . 2]" 1
962 1 90 LYS HA 1 90 LYS QG 1.800 . 3.510 2.718 2.365 3.441 . 0 0 "[ . 1 . 2]" 1
963 1 90 LYS HB3 1 90 LYS QE 1.800 . 5.100 3.528 1.976 4.512 . 0 0 "[ . 1 . 2]" 1
964 1 90 LYS HB2 1 90 LYS QE 1.800 . 5.100 3.521 1.874 4.429 . 0 0 "[ . 1 . 2]" 1
965 1 90 LYS H 1 90 LYS HB3 1.800 . 3.950 3.546 2.578 4.050 0.100 10 0 "[ . 1 . 2]" 1
966 1 90 LYS H 1 90 LYS HB2 1.800 . 3.950 2.936 2.291 3.950 . 14 0 "[ . 1 . 2]" 1
967 1 90 LYS H 1 90 LYS QD 1.800 . 4.600 4.124 3.320 4.761 0.161 10 0 "[ . 1 . 2]" 1
968 1 90 LYS H 1 90 LYS QG 1.800 . 4.300 2.563 1.791 4.065 0.009 12 0 "[ . 1 . 2]" 1
969 1 90 LYS HB3 1 91 GLU H 1.800 . 4.800 3.497 1.903 4.501 . 0 0 "[ . 1 . 2]" 1
970 1 90 LYS HB2 1 91 GLU H 1.800 . 4.800 3.691 1.857 4.478 . 0 0 "[ . 1 . 2]" 1
971 1 90 LYS QG 1 91 GLU H 1.800 . 5.040 3.906 1.771 4.728 0.029 12 0 "[ . 1 . 2]" 1
972 1 91 GLU H 1 91 GLU QG 1.800 . 4.400 3.091 1.768 4.283 0.032 12 0 "[ . 1 . 2]" 1
973 1 91 GLU HA 1 92 ALA H 1.800 . 3.600 2.956 2.258 3.567 . 0 0 "[ . 1 . 2]" 1
974 1 91 GLU HB3 1 92 ALA H 1.800 . 4.800 3.482 1.767 4.608 0.033 17 0 "[ . 1 . 2]" 1
975 1 91 GLU HB2 1 92 ALA H 1.800 . 4.800 3.788 2.650 4.471 . 0 0 "[ . 1 . 2]" 1
976 1 91 GLU QG 1 92 ALA H 1.800 . 4.600 3.508 1.742 4.542 0.058 1 0 "[ . 1 . 2]" 1
977 1 92 ALA HA 1 93 GLN H 1.800 . 3.550 2.294 2.123 2.866 . 0 0 "[ . 1 . 2]" 1
978 1 92 ALA MB 1 93 GLN H 1.800 . 3.980 3.155 1.857 3.663 . 0 0 "[ . 1 . 2]" 1
979 1 92 ALA H 1 93 GLN H 1.800 . 5.300 3.914 2.672 4.618 . 0 0 "[ . 1 . 2]" 1
980 1 92 ALA HA 1 114 ASN QB 1.800 . 3.890 2.787 1.833 3.813 . 0 0 "[ . 1 . 2]" 1
981 1 92 ALA HA 1 114 ASN QD 1.800 . 5.420 4.641 2.835 5.440 0.020 17 0 "[ . 1 . 2]" 1
982 1 92 ALA MB 1 114 ASN HB3 1.800 . 5.700 3.926 2.515 5.332 . 0 0 "[ . 1 . 2]" 1
983 1 92 ALA MB 1 114 ASN HB2 1.800 . 5.700 4.545 2.163 5.736 0.036 7 0 "[ . 1 . 2]" 1
984 1 92 ALA H 1 114 ASN QB 1.800 . 4.890 4.045 2.536 4.965 0.075 10 0 "[ . 1 . 2]" 1
985 1 93 GLN QB 1 93 GLN QE 1.800 . 5.300 2.662 1.708 3.697 0.092 8 0 "[ . 1 . 2]" 1
986 1 93 GLN H 1 93 GLN QE 1.800 . 5.250 3.795 2.117 4.886 . 0 0 "[ . 1 . 2]" 1
987 1 93 GLN H 1 93 GLN HG3 1.800 . 5.240 3.277 2.033 4.245 . 0 0 "[ . 1 . 2]" 1
988 1 93 GLN H 1 93 GLN HG2 1.800 . 5.240 3.837 2.494 4.513 . 0 0 "[ . 1 . 2]" 1
989 1 93 GLN HA 1 94 THR H 1.800 . 3.640 2.183 2.116 2.294 . 0 0 "[ . 1 . 2]" 1
990 1 93 GLN QB 1 94 THR H 1.800 . 4.080 3.395 2.671 3.804 . 0 0 "[ . 1 . 2]" 1
991 1 93 GLN QG 1 94 THR H 1.800 . 5.180 4.225 3.553 4.526 . 0 0 "[ . 1 . 2]" 1
992 1 93 GLN QB 1 95 ILE MG 1.800 . 5.320 3.526 3.097 4.184 . 0 0 "[ . 1 . 2]" 1
993 1 93 GLN QB 1 113 PHE QD 1.800 . 5.100 3.154 2.198 4.971 . 0 0 "[ . 1 . 2]" 1
994 1 93 GLN QG 1 113 PHE QB 1.800 . 5.170 3.564 1.787 4.812 0.013 12 0 "[ . 1 . 2]" 1
995 1 93 GLN H 1 113 PHE QB 1.800 . 4.720 3.287 2.681 3.944 . 0 0 "[ . 1 . 2]" 1
996 1 93 GLN H 1 113 PHE H 1.800 . 4.940 3.233 2.827 3.944 . 0 0 "[ . 1 . 2]" 1
997 1 93 GLN QE 1 114 ASN QB 1.800 . 5.200 4.331 2.428 5.279 0.079 17 0 "[ . 1 . 2]" 1
998 1 93 GLN H 1 114 ASN QB 1.800 . 4.800 3.475 2.427 4.813 0.013 10 0 "[ . 1 . 2]" 1
999 1 94 THR HA 1 94 THR MG 1.800 . 3.990 2.308 2.244 2.379 . 0 0 "[ . 1 . 2]" 1
1000 1 94 THR H 1 94 THR HB 1.800 . 4.170 2.702 2.609 2.844 . 0 0 "[ . 1 . 2]" 1
1001 1 94 THR HA 1 95 ILE H 1.800 . 3.590 2.157 2.126 2.187 . 0 0 "[ . 1 . 2]" 1
1002 1 94 THR HB 1 95 ILE H 1.800 . 5.490 4.165 3.998 4.281 . 0 0 "[ . 1 . 2]" 1
1003 1 94 THR MG 1 95 ILE H 1.800 . 3.840 2.861 2.668 3.024 . 0 0 "[ . 1 . 2]" 1
1004 1 94 THR MG 1 111 TYR H 1.800 . 4.500 3.765 3.282 4.215 . 0 0 "[ . 1 . 2]" 1
1005 1 94 THR HA 1 112 ASP HA 1.800 . 4.650 2.291 1.847 2.928 . 0 0 "[ . 1 . 2]" 1
1006 1 94 THR MG 1 112 ASP HA 1.800 . 4.730 2.951 1.902 3.524 . 0 0 "[ . 1 . 2]" 1
1007 1 94 THR MG 1 112 ASP QB 1.800 . 4.800 3.032 1.799 4.192 0.001 15 0 "[ . 1 . 2]" 1
1008 1 94 THR HA 1 113 PHE H 1.800 . 4.960 3.258 2.451 3.789 . 0 0 "[ . 1 . 2]" 1
1009 1 95 ILE MD 1 95 ILE MG 1.800 . 3.650 1.995 1.907 3.039 . 0 0 "[ . 1 . 2]" 1
1010 1 95 ILE QG 1 95 ILE MG 1.800 . 3.620 2.307 2.081 2.348 . 0 0 "[ . 1 . 2]" 1
1011 1 95 ILE H 1 95 ILE QG 1.800 . 3.950 2.133 1.917 2.239 . 0 0 "[ . 1 . 2]" 1
1012 1 95 ILE H 1 95 ILE MG 1.800 . 4.600 2.833 2.667 3.052 . 0 0 "[ . 1 . 2]" 1
1013 1 95 ILE HA 1 96 ASP H 1.800 . 3.550 2.226 2.121 2.304 . 0 0 "[ . 1 . 2]" 1
1014 1 95 ILE HB 1 96 ASP H 1.800 . 4.210 2.890 2.649 3.200 . 0 0 "[ . 1 . 2]" 1
1015 1 95 ILE QG 1 96 ASP H 1.800 . 5.290 3.933 3.711 4.376 . 0 0 "[ . 1 . 2]" 1
1016 1 95 ILE MG 1 96 ASP H 1.800 . 4.140 3.797 3.676 3.960 . 0 0 "[ . 1 . 2]" 1
1017 1 95 ILE H 1 96 ASP H 1.800 . 5.080 4.450 4.334 4.494 . 0 0 "[ . 1 . 2]" 1
1018 1 95 ILE MD 1 97 LEU MD1 1.800 . 4.870 3.201 2.553 3.793 . 0 0 "[ . 1 . 2]" 1
1019 1 95 ILE MD 1 97 LEU MD2 1.800 . 3.600 2.861 2.327 3.363 . 0 0 "[ . 1 . 2]" 1
1020 1 95 ILE MD 1 97 LEU HG 1.800 . 4.550 3.344 2.090 3.975 . 0 0 "[ . 1 . 2]" 1
1021 1 95 ILE HB 1 111 TYR QB 1.800 . 4.990 4.588 4.143 5.001 0.011 17 0 "[ . 1 . 2]" 1
1022 1 95 ILE MD 1 111 TYR QB 1.800 . 4.330 2.468 1.827 2.835 . 0 0 "[ . 1 . 2]" 1
1023 1 95 ILE QG 1 111 TYR H 1.800 . 4.520 2.703 2.206 3.062 . 0 0 "[ . 1 . 2]" 1
1024 1 95 ILE HG13 1 111 TYR QB 1.800 . 4.290 2.298 1.789 2.691 0.011 11 0 "[ . 1 . 2]" 1
1025 1 95 ILE HG12 1 111 TYR QB 1.800 . 4.290 2.486 1.998 2.960 . 0 0 "[ . 1 . 2]" 1
1026 1 95 ILE H 1 111 TYR QB 1.800 . 4.880 3.523 3.172 3.816 . 0 0 "[ . 1 . 2]" 1
1027 1 95 ILE H 1 111 TYR H 1.800 . 4.370 3.143 2.885 3.492 . 0 0 "[ . 1 . 2]" 1
1028 1 95 ILE H 1 112 ASP HA 1.800 . 4.430 3.566 3.153 4.017 . 0 0 "[ . 1 . 2]" 1
1029 1 95 ILE H 1 112 ASP QB 1.800 . 5.870 5.036 4.182 5.892 0.022 5 0 "[ . 1 . 2]" 1
1030 1 95 ILE HG13 1 113 PHE QE 1.800 . 4.330 3.752 3.007 4.329 . 0 0 "[ . 1 . 2]" 1
1031 1 95 ILE HG12 1 113 PHE QE 1.800 . 4.330 2.594 1.912 3.222 . 0 0 "[ . 1 . 2]" 1
1032 1 96 ASP H 1 96 ASP QB 1.800 . 3.770 2.476 2.266 2.983 . 0 0 "[ . 1 . 2]" 1
1033 1 96 ASP HA 1 97 LEU H 1.800 . 3.610 2.140 2.112 2.196 . 0 0 "[ . 1 . 2]" 1
1034 1 96 ASP QB 1 97 LEU H 1.800 . 4.420 3.504 2.747 3.861 . 0 0 "[ . 1 . 2]" 1
1035 1 96 ASP HB3 1 98 TYR QE 1.800 . 4.410 2.952 2.432 4.466 0.056 17 0 "[ . 1 . 2]" 1
1036 1 96 ASP HB2 1 98 TYR QE 1.800 . 4.410 3.481 2.304 4.438 0.028 18 0 "[ . 1 . 2]" 1
1037 1 96 ASP HA 1 109 LEU H 1.800 . 5.290 4.774 4.545 5.266 . 0 0 "[ . 1 . 2]" 1
1038 1 96 ASP HA 1 110 THR HA 1.800 . 4.210 2.351 2.134 2.750 . 0 0 "[ . 1 . 2]" 1
1039 1 96 ASP HA 1 110 THR MG 1.800 . 5.000 3.611 2.201 4.978 . 0 0 "[ . 1 . 2]" 1
1040 1 96 ASP HA 1 111 TYR H 1.800 . 3.970 3.530 2.987 4.000 0.030 4 0 "[ . 1 . 2]" 1
1041 1 97 LEU HA 1 97 LEU MD2 1.800 . 4.760 2.039 1.969 2.126 . 0 0 "[ . 1 . 2]" 1
1042 1 97 LEU HB3 1 97 LEU MD1 1.800 . 4.070 2.366 2.326 2.398 . 0 0 "[ . 1 . 2]" 1
1043 1 97 LEU HB3 1 97 LEU MD2 1.800 . 4.080 2.379 2.344 2.430 . 0 0 "[ . 1 . 2]" 1
1044 1 97 LEU HB2 1 97 LEU MD1 1.800 . 4.070 2.337 2.289 2.381 . 0 0 "[ . 1 . 2]" 1
1045 1 97 LEU HB2 1 97 LEU MD2 1.800 . 4.080 3.197 3.192 3.202 . 0 0 "[ . 1 . 2]" 1
1046 1 97 LEU H 1 97 LEU MD1 1.800 . 4.610 3.876 3.707 4.073 . 0 0 "[ . 1 . 2]" 1
1047 1 97 LEU H 1 97 LEU MD2 1.800 . 4.020 3.551 3.268 3.820 . 0 0 "[ . 1 . 2]" 1
1048 1 97 LEU H 1 97 LEU HG 1.800 . 4.360 2.693 2.482 2.990 . 0 0 "[ . 1 . 2]" 1
1049 1 97 LEU HB3 1 98 TYR H 1.800 . 5.440 3.608 3.381 3.779 . 0 0 "[ . 1 . 2]" 1
1050 1 97 LEU HB2 1 98 TYR H 1.800 . 5.440 4.333 4.223 4.417 . 0 0 "[ . 1 . 2]" 1
1051 1 97 LEU MD2 1 98 TYR H 1.800 . 4.600 3.753 3.632 3.933 . 0 0 "[ . 1 . 2]" 1
1052 1 97 LEU HB3 1 99 PHE QE 1.800 . 4.890 2.882 2.517 3.531 . 0 0 "[ . 1 . 2]" 1
1053 1 97 LEU HB2 1 99 PHE QE 1.800 . 4.890 2.779 2.233 3.387 . 0 0 "[ . 1 . 2]" 1
1054 1 97 LEU MD1 1 99 PHE QE 1.800 . 3.700 2.976 2.566 3.565 . 0 0 "[ . 1 . 2]" 1
1055 1 97 LEU MD2 1 99 PHE QE 1.800 . 5.120 4.337 3.926 4.873 . 0 0 "[ . 1 . 2]" 1
1056 1 97 LEU QB 1 109 LEU MD1 1.800 . 4.580 3.450 3.066 3.953 . 0 0 "[ . 1 . 2]" 1
1057 1 97 LEU HB3 1 109 LEU H 1.800 . 5.380 4.233 4.006 4.528 . 0 0 "[ . 1 . 2]" 1
1058 1 97 LEU HB2 1 109 LEU H 1.800 . 5.380 3.009 2.783 3.349 . 0 0 "[ . 1 . 2]" 1
1059 1 97 LEU HG 1 109 LEU QB 1.800 . 4.250 3.874 3.364 4.284 0.034 7 0 "[ . 1 . 2]" 1
1060 1 97 LEU HG 1 109 LEU H 1.800 . 5.270 5.015 4.656 5.294 0.024 13 0 "[ . 1 . 2]" 1
1061 1 97 LEU H 1 109 LEU H 1.800 . 4.330 3.193 2.910 3.652 . 0 0 "[ . 1 . 2]" 1
1062 1 97 LEU H 1 110 THR HA 1.800 . 4.380 3.250 2.914 3.585 . 0 0 "[ . 1 . 2]" 1
1063 1 97 LEU MD1 1 111 TYR QD 1.800 . 4.220 2.826 2.422 3.401 . 0 0 "[ . 1 . 2]" 1
1064 1 97 LEU MD1 1 111 TYR QE 1.800 . 3.850 2.071 1.771 2.873 0.029 14 0 "[ . 1 . 2]" 1
1065 1 97 LEU HG 1 111 TYR QD 1.800 . 5.190 2.974 2.557 3.354 . 0 0 "[ . 1 . 2]" 1
1066 1 97 LEU HG 1 111 TYR QE 1.800 . 5.380 3.761 3.255 4.478 . 0 0 "[ . 1 . 2]" 1
1067 1 98 TYR HA 1 98 TYR QD 1.800 . 4.940 2.718 2.292 3.092 . 0 0 "[ . 1 . 2]" 1
1068 1 98 TYR H 1 98 TYR QD 1.800 . 4.350 2.827 2.452 3.239 . 0 0 "[ . 1 . 2]" 1
1069 1 98 TYR HA 1 99 PHE H 1.800 . 3.630 2.170 2.122 2.221 . 0 0 "[ . 1 . 2]" 1
1070 1 98 TYR QB 1 99 PHE H 1.800 . 4.250 3.582 3.430 3.722 . 0 0 "[ . 1 . 2]" 1
1071 1 98 TYR QD 1 99 PHE H 1.800 . 5.090 4.429 4.139 4.705 . 0 0 "[ . 1 . 2]" 1
1072 1 98 TYR HA 1 106 LEU MD1 1.800 . 4.830 3.312 2.869 4.007 . 0 0 "[ . 1 . 2]" 1
1073 1 98 TYR HB3 1 106 LEU MD1 1.800 . 5.000 2.341 1.759 3.333 0.041 18 0 "[ . 1 . 2]" 1
1074 1 98 TYR HB2 1 106 LEU MD1 1.800 . 5.000 3.842 3.206 4.819 . 0 0 "[ . 1 . 2]" 1
1075 1 98 TYR QD 1 106 LEU MD1 1.800 . 3.600 2.710 1.977 3.453 . 0 0 "[ . 1 . 2]" 1
1076 1 98 TYR QD 1 106 LEU MD2 1.800 . 4.800 3.203 2.071 4.315 . 0 0 "[ . 1 . 2]" 1
1077 1 98 TYR QD 1 106 LEU HG 1.800 . 5.100 3.827 3.036 4.597 . 0 0 "[ . 1 . 2]" 1
1078 1 98 TYR QE 1 106 LEU MD1 1.800 . 5.000 4.530 3.760 5.045 0.045 18 0 "[ . 1 . 2]" 1
1079 1 98 TYR QE 1 106 LEU MD2 1.800 . 5.000 4.066 2.932 5.018 0.018 7 0 "[ . 1 . 2]" 1
1080 1 98 TYR HA 1 108 GLN HA 1.800 . 5.280 2.496 2.283 2.936 . 0 0 "[ . 1 . 2]" 1
1081 1 98 TYR HA 1 108 GLN QB 1.800 . 4.830 3.451 2.724 4.309 . 0 0 "[ . 1 . 2]" 1
1082 1 98 TYR QD 1 108 GLN QB 1.800 . 4.270 2.551 1.976 4.272 0.002 19 0 "[ . 1 . 2]" 1
1083 1 98 TYR QD 1 108 GLN QG 1.800 . 5.520 3.734 2.620 4.616 . 0 0 "[ . 1 . 2]" 1
1084 1 98 TYR QE 1 108 GLN HA 1.800 . 5.830 4.737 4.132 5.717 . 0 0 "[ . 1 . 2]" 1
1085 1 98 TYR QE 1 108 GLN HB3 1.800 . 5.720 3.640 2.553 5.528 . 0 0 "[ . 1 . 2]" 1
1086 1 98 TYR QE 1 108 GLN HB2 1.800 . 5.720 3.332 2.487 5.222 . 0 0 "[ . 1 . 2]" 1
1087 1 98 TYR QE 1 108 GLN QG 1.800 . 4.660 3.520 2.043 4.569 . 0 0 "[ . 1 . 2]" 1
1088 1 98 TYR HA 1 109 LEU H 1.800 . 4.760 3.693 3.410 3.972 . 0 0 "[ . 1 . 2]" 1
1089 1 99 PHE HA 1 99 PHE QD 1.800 . 4.580 2.931 2.530 3.127 . 0 0 "[ . 1 . 2]" 1
1090 1 99 PHE H 1 99 PHE QD 1.800 . 4.290 2.470 2.194 2.904 . 0 0 "[ . 1 . 2]" 1
1091 1 99 PHE HA 1 100 GLU H 1.800 . 3.500 2.150 2.096 2.219 . 0 0 "[ . 1 . 2]" 1
1092 1 99 PHE HB3 1 100 GLU H 1.800 . 5.500 3.526 3.282 3.633 . 0 0 "[ . 1 . 2]" 1
1093 1 99 PHE HB2 1 100 GLU H 1.800 . 5.500 4.320 4.206 4.409 . 0 0 "[ . 1 . 2]" 1
1094 1 99 PHE QD 1 100 GLU H 1.800 . 5.140 4.360 4.144 4.629 . 0 0 "[ . 1 . 2]" 1
1095 1 99 PHE H 1 100 GLU H 1.800 . 5.220 4.380 4.288 4.490 . 0 0 "[ . 1 . 2]" 1
1096 1 99 PHE H 1 106 LEU MD1 1.800 . 3.780 3.449 2.886 3.785 0.005 12 0 "[ . 1 . 2]" 1
1097 1 99 PHE QD 1 107 GLN QB 1.800 . 4.600 3.168 2.178 3.662 . 0 0 "[ . 1 . 2]" 1
1098 1 99 PHE QD 1 108 GLN HA 1.800 . 5.310 3.847 3.006 4.641 . 0 0 "[ . 1 . 2]" 1
1099 1 99 PHE H 1 108 GLN HA 1.800 . 4.750 3.189 2.709 3.784 . 0 0 "[ . 1 . 2]" 1
1100 1 99 PHE QD 1 109 LEU QB 1.800 . 4.850 3.779 3.177 4.494 . 0 0 "[ . 1 . 2]" 1
1101 1 99 PHE QD 1 109 LEU MD1 1.800 . 4.330 3.326 2.945 3.995 . 0 0 "[ . 1 . 2]" 1
1102 1 99 PHE QE 1 109 LEU HB3 1.800 . 4.950 4.036 3.489 4.557 . 0 0 "[ . 1 . 2]" 1
1103 1 99 PHE QE 1 109 LEU HB2 1.800 . 4.950 2.661 1.837 3.416 . 0 0 "[ . 1 . 2]" 1
1104 1 99 PHE QE 1 109 LEU MD1 1.800 . 3.590 1.960 1.785 2.329 0.015 10 0 "[ . 1 . 2]" 1
1105 1 99 PHE QE 1 109 LEU MD2 1.800 . 5.200 4.291 3.660 4.614 . 0 0 "[ . 1 . 2]" 1
1106 1 99 PHE QE 1 109 LEU HG 1.800 . 4.410 3.024 1.973 3.591 . 0 0 "[ . 1 . 2]" 1
1107 1 99 PHE QE 1 109 LEU H 1.800 . 4.970 3.875 2.781 4.666 . 0 0 "[ . 1 . 2]" 1
1108 1 100 GLU H 1 100 GLU HG3 1.800 . 5.090 3.900 2.535 4.785 . 0 0 "[ . 1 . 2]" 1
1109 1 100 GLU H 1 100 GLU HG2 1.800 . 5.090 4.145 2.244 4.539 . 0 0 "[ . 1 . 2]" 1
1110 1 100 GLU HA 1 101 ASP H 1.800 . 3.450 2.166 2.072 2.393 . 0 0 "[ . 1 . 2]" 1
1111 1 100 GLU QB 1 101 ASP H 1.800 . 3.940 3.491 2.583 3.886 . 0 0 "[ . 1 . 2]" 1
1112 1 100 GLU HG3 1 101 ASP H 1.800 . 5.440 4.074 2.818 5.287 . 0 0 "[ . 1 . 2]" 1
1113 1 100 GLU HG2 1 101 ASP H 1.800 . 5.440 3.747 2.609 4.961 . 0 0 "[ . 1 . 2]" 1
1114 1 100 GLU H 1 101 ASP H 1.800 . 5.390 4.342 4.105 4.507 . 0 0 "[ . 1 . 2]" 1
1115 1 100 GLU HA 1 106 LEU HA 1.800 . 4.140 2.523 2.014 3.110 . 0 0 "[ . 1 . 2]" 1
1116 1 100 GLU HA 1 106 LEU QB 1.800 . 4.920 3.793 3.058 4.353 . 0 0 "[ . 1 . 2]" 1
1117 1 100 GLU HA 1 106 LEU MD1 1.800 . 5.080 2.739 2.208 3.531 . 0 0 "[ . 1 . 2]" 1
1118 1 100 GLU HB3 1 106 LEU MD1 1.800 . 5.640 3.741 1.747 4.514 0.053 6 0 "[ . 1 . 2]" 1
1119 1 100 GLU HB2 1 106 LEU MD1 1.800 . 5.640 3.182 1.829 4.696 . 0 0 "[ . 1 . 2]" 1
1120 1 100 GLU QG 1 106 LEU QB 1.800 . 4.420 3.443 2.623 4.601 0.181 6 0 "[ . 1 . 2]" 1
1121 1 100 GLU QG 1 106 LEU MD2 1.800 . 4.930 4.062 3.204 4.941 0.011 6 0 "[ . 1 . 2]" 1
1122 1 100 GLU HG3 1 106 LEU HA 1.800 . 5.350 4.228 3.072 5.454 0.104 6 0 "[ . 1 . 2]" 1
1123 1 100 GLU HG3 1 106 LEU MD1 1.800 . 4.800 2.869 2.315 4.357 . 0 0 "[ . 1 . 2]" 1
1124 1 100 GLU HG2 1 106 LEU HA 1.800 . 5.350 4.434 2.794 5.383 0.033 5 0 "[ . 1 . 2]" 1
1125 1 100 GLU HA 1 107 GLN H 1.800 . 4.610 3.545 3.124 3.900 . 0 0 "[ . 1 . 2]" 1
1126 1 101 ASP QB 1 102 ASN H 1.800 . 4.470 3.028 1.773 3.734 0.027 18 0 "[ . 1 . 2]" 1
1127 1 101 ASP H 1 106 LEU HA 1.800 . 4.800 3.496 2.749 4.198 . 0 0 "[ . 1 . 2]" 1
1128 1 102 ASN H 1 103 TRP H 1.800 . 4.430 3.001 1.990 4.552 0.122 10 0 "[ . 1 . 2]" 1
1129 1 103 TRP H 1 103 TRP QB 1.800 . 3.890 2.807 2.190 3.436 . 0 0 "[ . 1 . 2]" 1
1130 1 103 TRP H 1 103 TRP HD1 1.800 . 4.630 3.383 1.872 4.696 0.066 3 0 "[ . 1 . 2]" 1
1131 1 103 TRP QB 1 104 GLY H 1.800 . 4.500 3.085 1.793 4.031 0.007 15 0 "[ . 1 . 2]" 1
1132 1 103 TRP H 1 104 GLY H 1.800 . 4.300 2.761 1.702 4.314 0.098 5 0 "[ . 1 . 2]" 1
1133 1 105 ASN H 1 105 ASN QB 1.800 . 3.710 2.688 2.214 3.379 . 0 0 "[ . 1 . 2]" 1
1134 1 105 ASN HA 1 106 LEU H 1.800 . 3.600 2.403 2.119 3.591 . 0 0 "[ . 1 . 2]" 1
1135 1 105 ASN QB 1 106 LEU H 1.800 . 4.000 3.123 1.801 3.945 . 0 0 "[ . 1 . 2]" 1
1136 1 105 ASN H 1 106 LEU H 1.800 . 5.300 4.268 2.989 4.559 . 0 0 "[ . 1 . 2]" 1
1137 1 106 LEU HA 1 106 LEU MD1 1.800 . 3.830 2.156 2.030 2.290 . 0 0 "[ . 1 . 2]" 1
1138 1 106 LEU HA 1 106 LEU MD2 1.800 . 4.570 3.910 3.869 3.966 . 0 0 "[ . 1 . 2]" 1
1139 1 106 LEU HA 1 106 LEU HG 1.800 . 4.020 3.181 3.067 3.375 . 0 0 "[ . 1 . 2]" 1
1140 1 106 LEU QB 1 106 LEU MD1 1.800 . 3.690 2.298 2.243 2.332 . 0 0 "[ . 1 . 2]" 1
1141 1 106 LEU QB 1 106 LEU MD2 1.800 . 3.690 2.093 2.083 2.102 . 0 0 "[ . 1 . 2]" 1
1142 1 106 LEU H 1 106 LEU QB 1.800 . 3.430 2.513 2.230 2.737 . 0 0 "[ . 1 . 2]" 1
1143 1 106 LEU H 1 106 LEU MD1 1.800 . 4.950 4.362 4.193 4.484 . 0 0 "[ . 1 . 2]" 1
1144 1 106 LEU H 1 106 LEU HG 1.800 . 4.540 4.409 4.209 4.539 . 0 0 "[ . 1 . 2]" 1
1145 1 106 LEU HA 1 107 GLN H 1.800 . 3.560 2.149 2.117 2.203 . 0 0 "[ . 1 . 2]" 1
1146 1 106 LEU QB 1 107 GLN H 1.800 . 4.160 3.794 3.666 3.913 . 0 0 "[ . 1 . 2]" 1
1147 1 106 LEU MD1 1 107 GLN H 1.800 . 4.060 2.443 2.059 2.769 . 0 0 "[ . 1 . 2]" 1
1148 1 106 LEU MD2 1 107 GLN H 1.800 . 4.970 4.623 4.324 4.891 . 0 0 "[ . 1 . 2]" 1
1149 1 106 LEU HG 1 107 GLN H 1.800 . 4.140 3.280 2.796 3.621 . 0 0 "[ . 1 . 2]" 1
1150 1 106 LEU H 1 107 GLN H 1.800 . 5.540 4.228 3.937 4.538 . 0 0 "[ . 1 . 2]" 1
1151 1 106 LEU MD2 1 108 GLN QB 1.800 . 4.730 3.823 2.794 4.770 0.040 19 0 "[ . 1 . 2]" 1
1152 1 107 GLN HA 1 107 GLN HE21 1.800 . 5.280 4.207 2.346 5.275 . 0 0 "[ . 1 . 2]" 1
1153 1 107 GLN QB 1 107 GLN HE21 1.800 . 4.980 2.912 1.747 4.013 0.053 8 0 "[ . 1 . 2]" 1
1154 1 107 GLN H 1 107 GLN QG 1.800 . 4.660 3.627 2.727 4.198 . 0 0 "[ . 1 . 2]" 1
1155 1 107 GLN HA 1 108 GLN H 1.800 . 3.270 2.145 2.094 2.207 . 0 0 "[ . 1 . 2]" 1
1156 1 107 GLN HB3 1 108 GLN H 1.800 . 4.980 3.908 3.342 4.376 . 0 0 "[ . 1 . 2]" 1
1157 1 107 GLN HB2 1 108 GLN H 1.800 . 4.980 4.351 4.191 4.556 . 0 0 "[ . 1 . 2]" 1
1158 1 107 GLN QG 1 108 GLN H 1.800 . 4.920 3.822 2.770 4.845 . 0 0 "[ . 1 . 2]" 1
1159 1 107 GLN H 1 108 GLN H 1.800 . 4.770 4.208 4.121 4.411 . 0 0 "[ . 1 . 2]" 1
1160 1 108 GLN HA 1 108 GLN QG 1.800 . 3.690 3.032 2.422 3.515 . 0 0 "[ . 1 . 2]" 1
1161 1 108 GLN QB 1 108 GLN QE 1.800 . 4.680 3.239 1.775 3.710 0.025 6 0 "[ . 1 . 2]" 1
1162 1 108 GLN H 1 108 GLN HB3 1.800 . 4.060 2.880 2.366 3.707 . 0 0 "[ . 1 . 2]" 1
1163 1 108 GLN H 1 108 GLN HB2 1.800 . 4.060 3.376 2.625 3.748 . 0 0 "[ . 1 . 2]" 1
1164 1 108 GLN H 1 108 GLN QG 1.800 . 5.520 2.851 1.847 4.097 . 0 0 "[ . 1 . 2]" 1
1165 1 108 GLN HA 1 109 LEU H 1.800 . 3.430 2.134 2.092 2.176 . 0 0 "[ . 1 . 2]" 1
1166 1 108 GLN HB3 1 109 LEU H 1.800 . 5.580 4.239 3.685 4.482 . 0 0 "[ . 1 . 2]" 1
1167 1 108 GLN HB2 1 109 LEU H 1.800 . 5.580 3.794 3.153 4.512 . 0 0 "[ . 1 . 2]" 1
1168 1 108 GLN QG 1 109 LEU H 1.800 . 4.800 3.930 2.889 4.807 0.007 9 0 "[ . 1 . 2]" 1
1169 1 108 GLN H 1 109 LEU H 1.800 . 5.020 4.308 4.184 4.452 . 0 0 "[ . 1 . 2]" 1
1170 1 109 LEU HA 1 109 LEU MD2 1.800 . 3.670 1.983 1.888 2.054 . 0 0 "[ . 1 . 2]" 1
1171 1 109 LEU HA 1 109 LEU HG 1.800 . 3.650 3.130 3.080 3.175 . 0 0 "[ . 1 . 2]" 1
1172 1 109 LEU HB3 1 109 LEU MD1 1.800 . 3.610 2.352 2.298 2.373 . 0 0 "[ . 1 . 2]" 1
1173 1 109 LEU HB3 1 109 LEU MD2 1.800 . 3.810 2.399 2.354 2.434 . 0 0 "[ . 1 . 2]" 1
1174 1 109 LEU HB2 1 109 LEU MD1 1.800 . 3.610 2.351 2.330 2.379 . 0 0 "[ . 1 . 2]" 1
1175 1 109 LEU HB2 1 109 LEU MD2 1.800 . 3.810 3.200 3.196 3.207 . 0 0 "[ . 1 . 2]" 1
1176 1 109 LEU H 1 109 LEU MD1 1.800 . 4.650 4.002 3.851 4.147 . 0 0 "[ . 1 . 2]" 1
1177 1 109 LEU H 1 109 LEU MD2 1.800 . 5.240 3.669 3.512 3.842 . 0 0 "[ . 1 . 2]" 1
1178 1 109 LEU H 1 109 LEU HG 1.800 . 4.440 2.900 2.671 3.153 . 0 0 "[ . 1 . 2]" 1
1179 1 109 LEU HA 1 110 THR H 1.800 . 3.690 2.144 2.111 2.302 . 0 0 "[ . 1 . 2]" 1
1180 1 109 LEU HB3 1 110 THR H 1.800 . 5.010 3.557 2.802 3.695 . 0 0 "[ . 1 . 2]" 1
1181 1 109 LEU HB2 1 110 THR H 1.800 . 5.010 4.334 3.935 4.427 . 0 0 "[ . 1 . 2]" 1
1182 1 109 LEU MD1 1 110 THR H 1.800 . 5.750 5.207 4.589 5.331 . 0 0 "[ . 1 . 2]" 1
1183 1 109 LEU MD2 1 110 THR H 1.800 . 4.160 3.643 3.392 3.766 . 0 0 "[ . 1 . 2]" 1
1184 1 109 LEU H 1 110 THR H 1.800 . 4.950 4.247 4.099 4.571 . 0 0 "[ . 1 . 2]" 1
1185 1 109 LEU QB 1 111 TYR QD 1.800 . 4.270 3.511 3.051 4.039 . 0 0 "[ . 1 . 2]" 1
1186 1 109 LEU HB3 1 111 TYR QE 1.800 . 5.270 2.550 1.851 2.997 . 0 0 "[ . 1 . 2]" 1
1187 1 109 LEU HB2 1 111 TYR QE 1.800 . 5.270 2.867 2.384 3.308 . 0 0 "[ . 1 . 2]" 1
1188 1 109 LEU MD1 1 111 TYR QE 1.800 . 4.260 2.937 2.530 3.527 . 0 0 "[ . 1 . 2]" 1
1189 1 109 LEU MD2 1 111 TYR QE 1.800 . 4.800 4.144 3.531 4.538 . 0 0 "[ . 1 . 2]" 1
1190 1 109 LEU HG 1 111 TYR QE 1.800 . 5.350 4.801 4.371 5.366 0.016 19 0 "[ . 1 . 2]" 1
1191 1 110 THR HA 1 110 THR MG 1.800 . 3.930 2.625 2.212 3.227 . 0 0 "[ . 1 . 2]" 1
1192 1 110 THR H 1 110 THR HB 1.800 . 3.800 2.968 2.553 3.683 . 0 0 "[ . 1 . 2]" 1
1193 1 110 THR H 1 110 THR MG 1.800 . 4.330 2.959 1.881 3.952 . 0 0 "[ . 1 . 2]" 1
1194 1 110 THR HA 1 111 TYR H 1.800 . 3.400 2.152 2.114 2.219 . 0 0 "[ . 1 . 2]" 1
1195 1 110 THR HB 1 111 TYR H 1.800 . 4.910 3.991 3.261 4.307 . 0 0 "[ . 1 . 2]" 1
1196 1 110 THR MG 1 111 TYR H 1.800 . 4.300 3.462 2.674 4.114 . 0 0 "[ . 1 . 2]" 1
1197 1 110 THR H 1 111 TYR H 1.800 . 5.040 4.403 4.248 4.537 . 0 0 "[ . 1 . 2]" 1
1198 1 111 TYR HA 1 111 TYR QD 1.800 . 4.320 2.848 2.673 3.063 . 0 0 "[ . 1 . 2]" 1
1199 1 111 TYR HA 1 111 TYR QE 1.800 . 5.260 4.579 4.492 4.658 . 0 0 "[ . 1 . 2]" 1
1200 1 111 TYR H 1 111 TYR QD 1.800 . 4.090 3.017 2.659 3.370 . 0 0 "[ . 1 . 2]" 1
1201 1 111 TYR HA 1 112 ASP H 1.800 . 3.650 2.135 2.094 2.251 . 0 0 "[ . 1 . 2]" 1
1202 1 111 TYR QB 1 112 ASP H 1.800 . 4.000 3.317 2.801 3.565 . 0 0 "[ . 1 . 2]" 1
1203 1 111 TYR QB 1 113 PHE QE 1.800 . 4.740 2.775 2.162 3.545 . 0 0 "[ . 1 . 2]" 1
1204 1 112 ASP HA 1 113 PHE H 1.800 . 3.850 2.143 2.078 2.213 . 0 0 "[ . 1 . 2]" 1
1205 1 112 ASP QB 1 113 PHE H 1.800 . 4.410 3.438 2.880 3.926 . 0 0 "[ . 1 . 2]" 1
1206 1 113 PHE HA 1 113 PHE QD 1.800 . 5.120 2.768 2.492 2.925 . 0 0 "[ . 1 . 2]" 1
1207 1 113 PHE H 1 113 PHE QD 1.800 . 4.630 2.872 2.536 3.470 . 0 0 "[ . 1 . 2]" 1
1208 1 113 PHE HB3 1 114 ASN H 1.800 . 5.490 2.856 2.281 3.232 . 0 0 "[ . 1 . 2]" 1
1209 1 113 PHE HB2 1 114 ASN H 1.800 . 5.490 3.907 3.247 4.192 . 0 0 "[ . 1 . 2]" 1
1210 1 113 PHE QD 1 114 ASN H 1.800 . 5.240 3.827 3.239 4.253 . 0 0 "[ . 1 . 2]" 1
1211 1 114 ASN HB3 1 115 GLY H 1.800 . 5.150 3.628 1.920 4.473 . 0 0 "[ . 1 . 2]" 1
1212 1 114 ASN HB2 1 115 GLY H 1.800 . 5.150 3.556 2.024 4.587 . 0 0 "[ . 1 . 2]" 1
1213 1 114 ASN H 1 115 GLY H 1.800 . 4.600 3.454 1.850 4.420 . 0 0 "[ . 1 . 2]" 1
1214 1 115 GLY QA 1 116 LYS H 1.800 . 3.300 2.442 2.075 2.899 . 0 0 "[ . 1 . 2]" 1
1215 1 115 GLY H 1 116 LYS H 1.800 . 4.800 3.431 1.992 4.525 . 0 0 "[ . 1 . 2]" 1
1216 1 116 LYS HA 1 116 LYS QD 1.800 . 4.650 3.901 1.958 4.585 . 0 0 "[ . 1 . 2]" 1
1217 1 116 LYS HA 1 116 LYS QG 1.800 . 3.700 2.646 2.301 3.338 . 0 0 "[ . 1 . 2]" 1
1218 1 116 LYS QB 1 116 LYS QE 1.800 . 4.830 2.883 1.806 3.670 . 0 0 "[ . 1 . 2]" 1
1219 1 116 LYS QE 1 116 LYS QG 1.800 . 3.210 2.338 2.120 2.761 . 0 0 "[ . 1 . 2]" 1
1220 1 116 LYS H 1 116 LYS QB 1.800 . 3.280 2.790 2.228 3.360 0.080 19 0 "[ . 1 . 2]" 1
1221 1 116 LYS H 1 116 LYS QD 1.800 . 5.140 4.400 3.160 5.242 0.102 8 0 "[ . 1 . 2]" 1
1222 1 116 LYS H 1 116 LYS QG 1.800 . 4.200 3.161 1.788 4.399 0.199 16 0 "[ . 1 . 2]" 1
1223 1 116 LYS HA 1 117 LEU H 1.800 . 3.880 2.546 2.113 3.489 . 0 0 "[ . 1 . 2]" 1
1224 1 116 LYS HB3 1 117 LEU H 1.800 . 4.640 3.899 2.698 4.616 . 0 0 "[ . 1 . 2]" 1
1225 1 116 LYS HB2 1 117 LEU H 1.800 . 4.640 4.089 2.756 4.655 0.015 16 0 "[ . 1 . 2]" 1
1226 1 116 LYS QG 1 117 LEU H 1.800 . 4.740 3.843 1.779 4.770 0.030 20 0 "[ . 1 . 2]" 1
1227 1 116 LYS H 1 117 LEU H 1.800 . 4.700 3.549 1.720 4.623 0.080 8 0 "[ . 1 . 2]" 1
1228 1 117 LEU HA 1 117 LEU QD 1.800 . 3.360 2.258 1.815 3.423 0.063 16 0 "[ . 1 . 2]" 1
1229 1 117 LEU HA 1 117 LEU HG 1.800 . 4.230 3.142 2.436 3.710 . 0 0 "[ . 1 . 2]" 1
1230 1 117 LEU HB3 1 117 LEU MD1 1.800 . 4.470 2.713 2.337 3.201 . 0 0 "[ . 1 . 2]" 1
1231 1 117 LEU HB3 1 117 LEU MD2 1.800 . 4.470 2.447 2.161 3.204 . 0 0 "[ . 1 . 2]" 1
1232 1 117 LEU HB2 1 117 LEU MD1 1.800 . 4.470 2.448 2.210 3.204 . 0 0 "[ . 1 . 2]" 1
1233 1 117 LEU HB2 1 117 LEU MD2 1.800 . 4.470 2.776 2.269 3.202 . 0 0 "[ . 1 . 2]" 1
1234 1 117 LEU H 1 117 LEU MD1 1.800 . 5.000 3.730 1.899 4.604 . 0 0 "[ . 1 . 2]" 1
1235 1 117 LEU H 1 117 LEU MD2 1.800 . 5.000 3.353 1.828 4.291 . 0 0 "[ . 1 . 2]" 1
1236 1 117 LEU H 1 117 LEU HG 1.800 . 4.800 3.521 1.813 4.497 . 0 0 "[ . 1 . 2]" 1
1237 1 117 LEU HA 1 118 GLU H 1.800 . 3.600 2.794 2.138 3.558 . 0 0 "[ . 1 . 2]" 1
1238 1 117 LEU HB3 1 118 GLU H 1.800 . 4.600 3.919 2.340 4.473 . 0 0 "[ . 1 . 2]" 1
1239 1 117 LEU HB2 1 118 GLU H 1.800 . 4.600 3.787 1.790 4.505 0.010 19 0 "[ . 1 . 2]" 1
1240 1 117 LEU QD 1 118 GLU H 1.800 . 4.890 3.710 2.466 4.346 . 0 0 "[ . 1 . 2]" 1
1241 1 117 LEU H 1 118 GLU H 1.800 . 5.000 3.337 2.197 4.623 . 0 0 "[ . 1 . 2]" 1
1242 1 118 GLU HA 1 118 GLU HG3 1.800 . 4.260 3.257 2.501 4.271 0.011 12 0 "[ . 1 . 2]" 1
1243 1 118 GLU HA 1 118 GLU HG2 1.800 . 4.260 3.052 2.407 4.210 . 0 0 "[ . 1 . 2]" 1
1244 1 118 GLU H 1 118 GLU QB 1.800 . 3.230 2.615 2.230 3.333 0.103 15 0 "[ . 1 . 2]" 1
1245 1 118 GLU H 1 118 GLU HG3 1.800 . 4.900 3.683 1.762 4.921 0.038 17 0 "[ . 1 . 2]" 1
1246 1 118 GLU H 1 118 GLU HG2 1.800 . 4.900 3.840 2.475 5.022 0.122 16 0 "[ . 1 . 2]" 1
1247 1 118 GLU HA 1 119 HIS H 1.800 . 3.850 2.577 2.126 3.550 . 0 0 "[ . 1 . 2]" 1
1248 1 118 GLU QB 1 119 HIS H 1.800 . 4.200 3.147 1.875 4.071 . 0 0 "[ . 1 . 2]" 1
1249 1 119 HIS HA 1 120 HIS H 1.800 . 3.600 2.724 2.108 3.563 . 0 0 "[ . 1 . 2]" 1
1250 1 119 HIS QB 1 120 HIS H 1.800 . 4.100 3.200 1.827 3.972 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 68
_Distance_constraint_stats_list.Viol_count 141
_Distance_constraint_stats_list.Viol_total 54.073
_Distance_constraint_stats_list.Viol_max 0.109
_Distance_constraint_stats_list.Viol_rms 0.0081
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0192
_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 13 THR 0.055 0.016 4 0 "[ . 1 . 2]"
1 15 GLU 0.065 0.022 10 0 "[ . 1 . 2]"
1 27 GLU 0.032 0.028 6 0 "[ . 1 . 2]"
1 29 VAL 0.045 0.023 13 0 "[ . 1 . 2]"
1 31 ILE 0.242 0.043 12 0 "[ . 1 . 2]"
1 33 LEU 0.123 0.035 14 0 "[ . 1 . 2]"
1 34 GLU 0.065 0.022 10 0 "[ . 1 . 2]"
1 36 LYS 0.055 0.016 4 0 "[ . 1 . 2]"
1 47 THR 0.130 0.037 19 0 "[ . 1 . 2]"
1 48 LEU 0.066 0.030 7 0 "[ . 1 . 2]"
1 49 ARG 0.016 0.013 4 0 "[ . 1 . 2]"
1 50 TYR 0.344 0.058 13 0 "[ . 1 . 2]"
1 51 PHE 0.067 0.040 5 0 "[ . 1 . 2]"
1 58 SER 0.116 0.034 9 0 "[ . 1 . 2]"
1 59 LEU 0.047 0.032 14 0 "[ . 1 . 2]"
1 60 LYS 0.146 0.041 5 0 "[ . 1 . 2]"
1 61 MET 0.202 0.058 5 0 "[ . 1 . 2]"
1 64 GLY 0.202 0.058 5 0 "[ . 1 . 2]"
1 67 LEU 0.047 0.032 14 0 "[ . 1 . 2]"
1 68 LYS 0.255 0.048 20 0 "[ . 1 . 2]"
1 70 ASN 0.344 0.058 13 0 "[ . 1 . 2]"
1 71 ASP 0.255 0.048 20 0 "[ . 1 . 2]"
1 73 TYR 0.066 0.030 7 0 "[ . 1 . 2]"
1 80 PHE 0.123 0.035 14 0 "[ . 1 . 2]"
1 82 LEU 0.242 0.043 12 0 "[ . 1 . 2]"
1 83 TYR 0.146 0.041 5 0 "[ . 1 . 2]"
1 84 TYR 0.045 0.023 13 0 "[ . 1 . 2]"
1 85 THR 0.116 0.034 9 0 "[ . 1 . 2]"
1 86 SER 0.032 0.028 6 0 "[ . 1 . 2]"
1 93 GLN 0.359 0.109 1 0 "[ . 1 . 2]"
1 95 ILE 0.015 0.015 10 0 "[ . 1 . 2]"
1 96 ASP 0.067 0.040 5 0 "[ . 1 . 2]"
1 97 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 TYR 0.016 0.013 4 0 "[ . 1 . 2]"
1 99 PHE 0.090 0.026 11 0 "[ . 1 . 2]"
1 100 GLU 0.130 0.037 19 0 "[ . 1 . 2]"
1 101 ASP 0.288 0.105 20 0 "[ . 1 . 2]"
1 105 ASN 0.288 0.105 20 0 "[ . 1 . 2]"
1 107 GLN 0.090 0.026 11 0 "[ . 1 . 2]"
1 109 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 TYR 0.015 0.015 10 0 "[ . 1 . 2]"
1 113 PHE 0.359 0.109 1 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 13 THR H 1 36 LYS O 1.700 . 2.300 1.938 1.717 2.310 0.010 15 0 "[ . 1 . 2]" 2
2 1 13 THR N 1 36 LYS O 2.700 2.700 3.300 2.867 2.695 3.196 0.005 20 0 "[ . 1 . 2]" 2
3 1 15 GLU H 1 34 GLU O 1.700 . 2.300 1.869 1.702 2.309 0.009 4 0 "[ . 1 . 2]" 2
4 1 15 GLU N 1 34 GLU O 2.700 2.700 3.300 2.808 2.678 3.228 0.022 10 0 "[ . 1 . 2]" 2
5 1 29 VAL H 1 84 TYR O 1.700 . 2.300 2.037 1.747 2.311 0.011 13 0 "[ . 1 . 2]" 2
6 1 29 VAL N 1 84 TYR O 2.700 2.700 3.300 2.963 2.722 3.218 . 0 0 "[ . 1 . 2]" 2
7 1 31 ILE H 1 82 LEU O 1.700 . 2.300 1.772 1.702 1.886 . 0 0 "[ . 1 . 2]" 2
8 1 31 ILE N 1 82 LEU O 2.700 2.700 3.300 2.694 2.657 2.747 0.043 12 0 "[ . 1 . 2]" 2
9 1 33 LEU H 1 80 PHE O 1.700 . 2.300 2.145 1.875 2.335 0.035 14 0 "[ . 1 . 2]" 2
10 1 33 LEU N 1 80 PHE O 2.700 2.700 3.300 3.077 2.798 3.305 0.005 14 0 "[ . 1 . 2]" 2
11 1 15 GLU O 1 34 GLU H 1.700 . 2.300 1.909 1.722 2.299 . 0 0 "[ . 1 . 2]" 2
12 1 15 GLU O 1 34 GLU N 2.700 2.700 3.300 2.858 2.698 3.201 0.002 13 0 "[ . 1 . 2]" 2
13 1 13 THR O 1 36 LYS H 1.700 . 2.300 1.911 1.712 2.300 0.000 15 0 "[ . 1 . 2]" 2
14 1 13 THR O 1 36 LYS N 2.700 2.700 3.300 2.808 2.684 3.136 0.016 4 0 "[ . 1 . 2]" 2
15 1 49 ARG H 1 98 TYR O 1.700 . 2.300 1.976 1.733 2.313 0.013 4 0 "[ . 1 . 2]" 2
16 1 49 ARG N 1 98 TYR O 2.700 2.700 3.300 2.942 2.716 3.269 . 0 0 "[ . 1 . 2]" 2
17 1 58 SER H 1 85 THR O 1.700 . 2.300 1.940 1.707 2.334 0.034 9 0 "[ . 1 . 2]" 2
18 1 58 SER N 1 85 THR O 2.700 2.700 3.300 2.883 2.680 3.259 0.020 20 0 "[ . 1 . 2]" 2
19 1 60 LYS H 1 83 TYR O 1.700 . 2.300 1.844 1.699 2.033 0.001 4 0 "[ . 1 . 2]" 2
20 1 60 LYS N 1 83 TYR O 2.700 2.700 3.300 2.806 2.683 2.932 0.017 4 0 "[ . 1 . 2]" 2
21 1 61 MET O 1 64 GLY H 1.700 . 2.300 2.145 1.872 2.358 0.058 5 0 "[ . 1 . 2]" 2
22 1 61 MET O 1 64 GLY N 2.700 2.700 3.300 2.996 2.780 3.280 . 0 0 "[ . 1 . 2]" 2
23 1 59 LEU O 1 67 LEU H 1.700 . 2.300 1.833 1.704 2.172 . 0 0 "[ . 1 . 2]" 2
24 1 59 LEU O 1 67 LEU N 2.700 2.700 3.300 2.783 2.668 3.074 0.032 14 0 "[ . 1 . 2]" 2
25 1 50 TYR O 1 70 ASN H 1.700 . 2.300 2.039 1.706 2.358 0.058 13 0 "[ . 1 . 2]" 2
26 1 50 TYR O 1 70 ASN N 2.700 2.700 3.300 2.766 2.679 2.944 0.021 17 0 "[ . 1 . 2]" 2
27 1 68 LYS O 1 71 ASP H 1.700 . 2.300 2.240 1.979 2.348 0.048 20 0 "[ . 1 . 2]" 2
28 1 68 LYS O 1 71 ASP N 2.700 2.700 3.300 3.126 2.894 3.279 . 0 0 "[ . 1 . 2]" 2
29 1 48 LEU O 1 73 TYR H 1.700 . 2.300 1.935 1.701 2.326 0.026 8 0 "[ . 1 . 2]" 2
30 1 48 LEU O 1 73 TYR N 2.700 2.700 3.300 2.873 2.670 3.248 0.030 7 0 "[ . 1 . 2]" 2
31 1 33 LEU O 1 80 PHE H 1.700 . 2.300 2.089 1.888 2.315 0.015 14 0 "[ . 1 . 2]" 2
32 1 33 LEU O 1 80 PHE N 2.700 2.700 3.300 3.053 2.845 3.286 . 0 0 "[ . 1 . 2]" 2
33 1 31 ILE O 1 82 LEU H 1.700 . 2.300 1.868 1.711 2.034 . 0 0 "[ . 1 . 2]" 2
34 1 31 ILE O 1 82 LEU N 2.700 2.700 3.300 2.819 2.686 2.998 0.014 19 0 "[ . 1 . 2]" 2
35 1 60 LYS O 1 83 TYR H 1.700 . 2.300 1.781 1.683 1.972 0.017 5 0 "[ . 1 . 2]" 2
36 1 60 LYS O 1 83 TYR N 2.700 2.700 3.300 2.751 2.659 2.919 0.041 5 0 "[ . 1 . 2]" 2
37 1 29 VAL O 1 84 TYR H 1.700 . 2.300 1.938 1.774 2.323 0.023 13 0 "[ . 1 . 2]" 2
38 1 29 VAL O 1 84 TYR N 2.700 2.700 3.300 2.903 2.743 3.293 . 0 0 "[ . 1 . 2]" 2
39 1 58 SER O 1 85 THR H 1.700 . 2.300 1.955 1.796 2.308 0.008 9 0 "[ . 1 . 2]" 2
40 1 58 SER O 1 85 THR N 2.700 2.700 3.300 2.894 2.728 3.279 . 0 0 "[ . 1 . 2]" 2
41 1 27 GLU O 1 86 SER H 1.700 . 2.300 2.066 1.759 2.328 0.028 6 0 "[ . 1 . 2]" 2
42 1 27 GLU O 1 86 SER N 2.700 2.700 3.300 3.006 2.707 3.298 . 0 0 "[ . 1 . 2]" 2
43 1 51 PHE O 1 96 ASP H 1.700 . 2.300 1.920 1.756 2.340 0.040 5 0 "[ . 1 . 2]" 2
44 1 51 PHE O 1 96 ASP N 2.700 2.700 3.300 2.883 2.730 3.326 0.026 5 0 "[ . 1 . 2]" 2
45 1 49 ARG O 1 98 TYR H 1.700 . 2.300 1.949 1.760 2.281 . 0 0 "[ . 1 . 2]" 2
46 1 49 ARG O 1 98 TYR N 2.700 2.700 3.300 2.872 2.711 3.227 . 0 0 "[ . 1 . 2]" 2
47 1 47 THR O 1 100 GLU H 1.700 . 2.300 1.910 1.735 2.215 . 0 0 "[ . 1 . 2]" 2
48 1 47 THR O 1 100 GLU N 2.700 2.700 3.300 2.862 2.702 3.117 . 0 0 "[ . 1 . 2]" 2
49 1 99 PHE O 1 107 GLN H 1.700 . 2.300 1.812 1.691 1.979 0.009 11 0 "[ . 1 . 2]" 2
50 1 99 PHE O 1 107 GLN N 2.700 2.700 3.300 2.780 2.674 2.963 0.026 11 0 "[ . 1 . 2]" 2
51 1 97 LEU O 1 109 LEU H 1.700 . 2.300 1.874 1.731 2.142 . 0 0 "[ . 1 . 2]" 2
52 1 97 LEU O 1 109 LEU N 2.700 2.700 3.300 2.834 2.712 3.096 . 0 0 "[ . 1 . 2]" 2
53 1 95 ILE O 1 111 TYR H 1.700 . 2.300 1.917 1.769 2.131 . 0 0 "[ . 1 . 2]" 2
54 1 95 ILE O 1 111 TYR N 2.700 2.700 3.300 2.867 2.744 3.071 . 0 0 "[ . 1 . 2]" 2
55 1 93 GLN O 1 113 PHE H 1.700 . 2.300 1.836 1.699 2.287 0.001 6 0 "[ . 1 . 2]" 2
56 1 93 GLN O 1 113 PHE N 2.700 2.700 3.300 2.773 2.671 3.073 0.029 2 0 "[ . 1 . 2]" 2
57 1 47 THR H 1 100 GLU O 1.700 . 2.300 1.977 1.735 2.337 0.037 19 0 "[ . 1 . 2]" 2
58 1 47 THR N 1 100 GLU O 2.700 2.700 3.300 2.889 2.673 3.269 0.027 7 0 "[ . 1 . 2]" 2
59 1 93 GLN H 1 113 PHE O 1.700 . 2.300 2.058 1.709 2.409 0.109 1 0 "[ . 1 . 2]" 2
60 1 93 GLN N 1 113 PHE O 2.700 2.700 3.300 2.932 2.695 3.289 0.005 14 0 "[ . 1 . 2]" 2
61 1 95 ILE H 1 111 TYR O 1.700 . 2.300 1.974 1.778 2.315 0.015 10 0 "[ . 1 . 2]" 2
62 1 95 ILE N 1 111 TYR O 2.700 2.700 3.300 2.941 2.728 3.299 . 0 0 "[ . 1 . 2]" 2
63 1 97 LEU H 1 109 LEU O 1.700 . 2.300 1.868 1.767 2.078 . 0 0 "[ . 1 . 2]" 2
64 1 97 LEU N 1 109 LEU O 2.700 2.700 3.300 2.830 2.724 3.009 . 0 0 "[ . 1 . 2]" 2
65 1 99 PHE H 1 107 GLN O 1.700 . 2.300 1.856 1.735 2.109 . 0 0 "[ . 1 . 2]" 2
66 1 99 PHE N 1 107 GLN O 2.700 2.700 3.300 2.789 2.706 2.911 . 0 0 "[ . 1 . 2]" 2
67 1 101 ASP H 1 105 ASN O 1.700 . 2.300 2.064 1.699 2.405 0.105 20 0 "[ . 1 . 2]" 2
68 1 101 ASP N 1 105 ASN O 2.700 2.700 3.300 2.991 2.656 3.328 0.044 6 0 "[ . 1 . 2]" 2
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