NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
376278 |
1ff1   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ff1
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 1629
_Distance_constraint_stats_list.Viol_count 3857
_Distance_constraint_stats_list.Viol_total 4662.677
_Distance_constraint_stats_list.Viol_max 0.411
_Distance_constraint_stats_list.Viol_rms 0.0268
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0072
_Distance_constraint_stats_list.Viol_average_violations_only 0.0604
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 PRO 0.344 0.093 12 0 "[ . 1 . 2]"
1 2 TRP 3.859 0.155 12 0 "[ . 1 . 2]"
1 3 ALA 2.985 0.126 8 0 "[ . 1 . 2]"
1 4 VAL 3.632 0.181 17 0 "[ . 1 . 2]"
1 5 LYS 0.720 0.071 13 0 "[ . 1 . 2]"
1 6 PRO 1.040 0.112 13 0 "[ . 1 . 2]"
1 7 GLU 2.887 0.125 4 0 "[ . 1 . 2]"
1 8 ASP 4.803 0.138 19 0 "[ . 1 . 2]"
1 9 LYS 4.182 0.138 19 0 "[ . 1 . 2]"
1 10 ALA 2.843 0.147 16 0 "[ . 1 . 2]"
1 11 LYS 6.356 0.287 15 0 "[ . 1 . 2]"
1 12 TYR 6.181 0.147 16 0 "[ . 1 . 2]"
1 13 ASP 6.167 0.287 15 0 "[ . 1 . 2]"
1 14 ALA 6.723 0.232 18 0 "[ . 1 . 2]"
1 15 ILE 8.524 0.232 18 0 "[ . 1 . 2]"
1 16 PHE 3.454 0.118 17 0 "[ . 1 . 2]"
1 17 ASP 3.403 0.166 4 0 "[ . 1 . 2]"
1 18 SER 3.543 0.178 8 0 "[ . 1 . 2]"
1 19 LEU 10.467 0.290 18 0 "[ . 1 . 2]"
1 20 SER 6.440 0.290 18 0 "[ . 1 . 2]"
1 21 PRO 3.671 0.215 15 0 "[ . 1 . 2]"
1 22 VAL 2.065 0.081 15 0 "[ . 1 . 2]"
1 23 ASN 0.921 0.075 1 0 "[ . 1 . 2]"
1 24 GLY 0.160 0.053 11 0 "[ . 1 . 2]"
1 25 PHE 11.006 0.227 10 0 "[ . 1 . 2]"
1 26 LEU 12.362 0.258 5 0 "[ . 1 . 2]"
1 27 SER 5.353 0.198 12 0 "[ . 1 . 2]"
1 28 GLY 3.630 0.243 11 0 "[ . 1 . 2]"
1 29 ASP 2.316 0.123 4 0 "[ . 1 . 2]"
1 30 LYS 7.244 0.245 14 0 "[ . 1 . 2]"
1 31 VAL 7.622 0.198 12 0 "[ . 1 . 2]"
1 32 LYS 1.936 0.105 18 0 "[ . 1 . 2]"
1 33 PRO 1.690 0.074 18 0 "[ . 1 . 2]"
1 34 VAL 3.067 0.109 8 0 "[ . 1 . 2]"
1 35 LEU 3.363 0.105 7 0 "[ . 1 . 2]"
1 36 LEU 7.050 0.192 17 0 "[ . 1 . 2]"
1 37 ASN 5.873 0.192 17 0 "[ . 1 . 2]"
1 38 SER 1.380 0.114 18 0 "[ . 1 . 2]"
1 39 LYS 0.023 0.011 14 0 "[ . 1 . 2]"
1 40 LEU 6.731 0.174 19 0 "[ . 1 . 2]"
1 41 PRO 4.460 0.174 19 0 "[ . 1 . 2]"
1 42 VAL 7.275 0.158 20 0 "[ . 1 . 2]"
1 43 ASP 6.485 0.158 20 0 "[ . 1 . 2]"
1 44 ILE 10.616 0.170 17 0 "[ . 1 . 2]"
1 45 LEU 7.036 0.252 17 0 "[ . 1 . 2]"
1 46 GLY 3.526 0.134 17 0 "[ . 1 . 2]"
1 47 ARG 7.162 0.214 10 0 "[ . 1 . 2]"
1 48 VAL 9.055 0.252 17 0 "[ . 1 . 2]"
1 49 TRP 13.054 0.256 9 0 "[ . 1 . 2]"
1 50 GLU 10.682 0.256 9 0 "[ . 1 . 2]"
1 51 LEU 8.892 0.358 17 0 "[ . 1 . 2]"
1 52 SER 2.841 0.222 18 0 "[ . 1 . 2]"
1 53 ASP 2.537 0.192 10 0 "[ . 1 . 2]"
1 54 ILE 2.497 0.110 15 0 "[ . 1 . 2]"
1 55 ASP 0.375 0.088 5 0 "[ . 1 . 2]"
1 56 HIS 2.168 0.146 16 0 "[ . 1 . 2]"
1 57 ASP 1.476 0.133 2 0 "[ . 1 . 2]"
1 58 GLY 0.051 0.035 14 0 "[ . 1 . 2]"
1 59 MET 12.220 0.243 11 0 "[ . 1 . 2]"
1 60 LEU 0.881 0.073 12 0 "[ . 1 . 2]"
1 61 ASP 1.957 0.163 10 0 "[ . 1 . 2]"
1 62 ARG 5.386 0.163 10 0 "[ . 1 . 2]"
1 63 ASP 2.475 0.106 14 0 "[ . 1 . 2]"
1 64 GLU 3.511 0.194 9 0 "[ . 1 . 2]"
1 65 PHE 3.227 0.144 11 0 "[ . 1 . 2]"
1 66 ALA 5.823 0.194 9 0 "[ . 1 . 2]"
1 67 VAL 5.538 0.143 8 0 "[ . 1 . 2]"
1 68 ALA 6.405 0.222 18 0 "[ . 1 . 2]"
1 69 MET 7.562 0.153 10 0 "[ . 1 . 2]"
1 70 PHE 6.884 0.127 7 0 "[ . 1 . 2]"
1 71 LEU 4.282 0.221 17 0 "[ . 1 . 2]"
1 72 VAL 9.204 0.153 10 0 "[ . 1 . 2]"
1 73 TYR 2.847 0.152 8 0 "[ . 1 . 2]"
1 74 CYS 2.059 0.096 20 0 "[ . 1 . 2]"
1 75 ALA 5.376 0.277 13 0 "[ . 1 . 2]"
1 76 LEU 11.148 0.362 11 0 "[ . 1 . 2]"
1 77 GLU 4.529 0.089 18 0 "[ . 1 . 2]"
1 78 LYS 6.481 0.268 18 0 "[ . 1 . 2]"
1 79 GLU 0.993 0.093 3 0 "[ . 1 . 2]"
1 80 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 VAL 2.476 0.310 20 0 "[ . 1 . 2]"
1 82 PRO 2.151 0.166 17 0 "[ . 1 . 2]"
1 83 MET 7.345 0.372 20 0 "[ . 1 . 2]"
1 84 SER 12.406 0.358 17 0 "[ . 1 . 2]"
1 85 LEU 10.862 0.411 14 0 "[ . 1 . 2]"
1 86 PRO 1.302 0.177 11 0 "[ . 1 . 2]"
1 87 PRO 2.729 0.247 17 0 "[ . 1 . 2]"
1 88 ALA 4.861 0.261 7 0 "[ . 1 . 2]"
1 89 LEU 5.970 0.261 7 0 "[ . 1 . 2]"
1 90 VAL 1.015 0.094 6 0 "[ . 1 . 2]"
1 91 PRO 0.878 0.143 8 0 "[ . 1 . 2]"
1 92 PRO 1.235 0.145 19 0 "[ . 1 . 2]"
1 93 SER 2.729 0.186 17 0 "[ . 1 . 2]"
1 94 LYS 0.637 0.074 17 0 "[ . 1 . 2]"
1 95 ARG 4.256 0.186 17 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 TRP H 1 2 TRP QB 0.000 . 3.100 2.188 2.142 2.328 . 0 0 "[ . 1 . 2]" 1
2 1 2 TRP H 1 2 TRP HD1 0.000 . 5.000 4.649 4.541 4.751 . 0 0 "[ . 1 . 2]" 1
3 1 2 TRP H 1 2 TRP HE3 0.000 . 5.000 4.966 4.869 5.044 0.044 8 0 "[ . 1 . 2]" 1
4 1 2 TRP HA 1 2 TRP HD1 0.000 . 2.700 2.081 2.016 2.188 . 0 0 "[ . 1 . 2]" 1
5 1 2 TRP QB 1 2 TRP HD1 0.000 . 3.100 3.153 3.117 3.174 0.074 15 0 "[ . 1 . 2]" 1
6 1 2 TRP QB 1 2 TRP HE3 0.000 . 3.100 2.640 2.583 2.688 . 0 0 "[ . 1 . 2]" 1
7 1 3 ALA H 1 3 ALA MB 0.000 . 2.700 2.104 1.908 2.181 . 0 0 "[ . 1 . 2]" 1
8 1 4 VAL H 1 4 VAL HB 0.000 . 3.500 2.261 2.128 2.441 . 0 0 "[ . 1 . 2]" 1
9 1 4 VAL H 1 4 VAL MG2 0.000 . 3.500 2.583 2.129 2.849 . 0 0 "[ . 1 . 2]" 1
10 1 4 VAL HA 1 4 VAL MG1 0.000 . 2.700 2.468 2.223 2.605 . 0 0 "[ . 1 . 2]" 1
11 1 4 VAL HA 1 4 VAL MG2 0.000 . 2.700 2.231 2.070 2.393 . 0 0 "[ . 1 . 2]" 1
12 1 5 LYS H 1 5 LYS QB 0.000 . 3.100 2.161 1.973 2.986 . 0 0 "[ . 1 . 2]" 1
13 1 5 LYS H 1 5 LYS QG 0.000 . 5.000 3.192 1.787 3.960 . 0 0 "[ . 1 . 2]" 1
14 1 5 LYS HA 1 5 LYS QD 0.000 . 4.400 3.410 1.992 3.969 . 0 0 "[ . 1 . 2]" 1
15 1 7 GLU H 1 7 GLU QB 0.000 . 2.700 2.461 1.959 2.652 . 0 0 "[ . 1 . 2]" 1
16 1 7 GLU H 1 7 GLU QG 0.000 . 3.500 2.097 1.775 3.599 0.099 13 0 "[ . 1 . 2]" 1
17 1 7 GLU HA 1 7 GLU QB 0.000 . 2.700 2.238 2.199 2.309 . 0 0 "[ . 1 . 2]" 1
18 1 7 GLU HA 1 7 GLU QG 0.000 . 3.500 3.100 2.562 3.325 . 0 0 "[ . 1 . 2]" 1
19 1 8 ASP H 1 8 ASP QB 0.000 . 2.700 2.091 1.963 2.349 . 0 0 "[ . 1 . 2]" 1
20 1 9 LYS H 1 9 LYS QB 0.000 . 3.100 2.116 1.982 2.211 . 0 0 "[ . 1 . 2]" 1
21 1 9 LYS H 1 9 LYS QG 0.000 . 4.400 3.849 3.575 3.947 . 0 0 "[ . 1 . 2]" 1
22 1 10 ALA H 1 10 ALA MB 0.000 . 2.700 2.035 1.912 2.153 . 0 0 "[ . 1 . 2]" 1
23 1 11 LYS H 1 11 LYS QB 0.000 . 3.500 2.195 2.009 2.782 . 0 0 "[ . 1 . 2]" 1
24 1 11 LYS H 1 11 LYS QG 0.000 . 3.100 2.499 1.651 3.006 . 0 0 "[ . 1 . 2]" 1
25 1 11 LYS HA 1 11 LYS QG 0.000 . 3.100 3.133 2.557 3.252 0.152 8 0 "[ . 1 . 2]" 1
26 1 12 TYR H 1 12 TYR QD 0.000 . 3.500 2.471 2.221 2.711 . 0 0 "[ . 1 . 2]" 1
27 1 12 TYR H 1 12 TYR QE 0.000 . 5.000 4.238 3.903 4.422 . 0 0 "[ . 1 . 2]" 1
28 1 12 TYR HA 1 12 TYR QD 0.000 . 2.700 2.071 1.949 2.229 . 0 0 "[ . 1 . 2]" 1
29 1 13 ASP H 1 13 ASP QB 0.000 . 3.100 2.080 1.929 2.183 . 0 0 "[ . 1 . 2]" 1
30 1 14 ALA H 1 14 ALA MB 0.000 . 2.700 2.098 2.021 2.261 . 0 0 "[ . 1 . 2]" 1
31 1 15 ILE H 1 15 ILE HB 0.000 . 2.700 2.132 2.081 2.197 . 0 0 "[ . 1 . 2]" 1
32 1 15 ILE H 1 15 ILE QG 0.000 . 3.500 2.501 2.288 2.646 . 0 0 "[ . 1 . 2]" 1
33 1 15 ILE H 1 15 ILE MG 0.000 . 3.500 3.595 3.558 3.620 0.120 4 0 "[ . 1 . 2]" 1
34 1 16 PHE H 1 16 PHE QD 0.000 . 5.000 3.624 3.528 3.716 . 0 0 "[ . 1 . 2]" 1
35 1 16 PHE HA 1 16 PHE QB 0.000 . 2.700 2.230 2.215 2.240 . 0 0 "[ . 1 . 2]" 1
36 1 17 ASP H 1 17 ASP QB 0.000 . 2.700 2.137 2.098 2.222 . 0 0 "[ . 1 . 2]" 1
37 1 17 ASP HA 1 17 ASP QB 0.000 . 2.700 2.304 2.279 2.402 . 0 0 "[ . 1 . 2]" 1
38 1 18 SER H 1 18 SER QB 0.000 . 3.500 2.057 1.966 2.170 . 0 0 "[ . 1 . 2]" 1
39 1 18 SER HA 1 18 SER QB 0.000 . 2.700 2.389 2.190 2.547 . 0 0 "[ . 1 . 2]" 1
40 1 19 LEU H 1 19 LEU QB 0.000 . 3.100 2.654 2.504 2.768 . 0 0 "[ . 1 . 2]" 1
41 1 19 LEU H 1 19 LEU HG 0.000 . 3.500 1.840 1.774 1.957 . 0 0 "[ . 1 . 2]" 1
42 1 19 LEU H 1 19 LEU QD 0.000 . 3.500 2.864 2.597 2.965 . 0 0 "[ . 1 . 2]" 1
43 1 19 LEU HA 1 19 LEU MD2 0.000 . 2.700 2.305 2.092 2.481 . 0 0 "[ . 1 . 2]" 1
44 1 20 SER H 1 20 SER QB 0.000 . 3.500 3.305 3.052 3.519 0.019 16 0 "[ . 1 . 2]" 1
45 1 20 SER HA 1 20 SER QB 0.000 . 2.700 2.320 2.174 2.481 . 0 0 "[ . 1 . 2]" 1
46 1 21 PRO HA 1 21 PRO QB 0.000 . 2.400 2.192 2.188 2.197 . 0 0 "[ . 1 . 2]" 1
47 1 21 PRO HA 1 21 PRO QG 0.000 . 3.500 3.510 3.500 3.519 0.019 2 0 "[ . 1 . 2]" 1
48 1 22 VAL H 1 22 VAL HB 0.000 . 2.700 2.533 2.451 2.617 . 0 0 "[ . 1 . 2]" 1
49 1 22 VAL H 1 22 VAL QG 0.000 . 3.500 2.571 2.335 2.708 . 0 0 "[ . 1 . 2]" 1
50 1 22 VAL HA 1 22 VAL QG 0.000 . 2.700 2.122 2.073 2.164 . 0 0 "[ . 1 . 2]" 1
51 1 23 ASN HA 1 23 ASN QB 0.000 . 2.400 2.346 2.181 2.450 0.050 17 0 "[ . 1 . 2]" 1
52 1 25 PHE H 1 25 PHE QD 0.000 . 3.500 3.245 3.131 3.582 0.082 8 0 "[ . 1 . 2]" 1
53 1 25 PHE H 1 25 PHE QE 0.000 . 5.000 5.122 5.089 5.153 0.153 6 0 "[ . 1 . 2]" 1
54 1 25 PHE H 1 25 PHE QB 0.000 . 2.700 2.641 2.550 2.708 0.008 20 0 "[ . 1 . 2]" 1
55 1 25 PHE HA 1 25 PHE QB 0.000 . 2.700 2.414 2.390 2.428 . 0 0 "[ . 1 . 2]" 1
56 1 25 PHE HA 1 25 PHE QD 0.000 . 2.700 2.598 1.976 2.766 0.066 4 0 "[ . 1 . 2]" 1
57 1 25 PHE QB 1 25 PHE QD 0.000 . 2.700 2.140 2.133 2.185 . 0 0 "[ . 1 . 2]" 1
58 1 26 LEU H 1 26 LEU QB 0.000 . 3.100 2.328 2.262 2.403 . 0 0 "[ . 1 . 2]" 1
59 1 26 LEU H 1 26 LEU HG 0.000 . 3.500 3.289 3.101 3.455 . 0 0 "[ . 1 . 2]" 1
60 1 26 LEU H 1 26 LEU QD 0.000 . 5.000 3.534 3.470 3.613 . 0 0 "[ . 1 . 2]" 1
61 1 26 LEU HA 1 26 LEU MD2 0.000 . 2.700 1.785 1.769 1.826 . 0 0 "[ . 1 . 2]" 1
62 1 27 SER H 1 27 SER QB 0.000 . 3.100 2.575 2.227 2.895 . 0 0 "[ . 1 . 2]" 1
63 1 27 SER HA 1 27 SER QB 0.000 . 2.400 2.197 2.175 2.212 . 0 0 "[ . 1 . 2]" 1
64 1 28 GLY H 1 28 GLY QA 0.000 . 2.700 2.246 2.238 2.250 . 0 0 "[ . 1 . 2]" 1
65 1 29 ASP H 1 29 ASP QB 0.000 . 3.100 2.172 1.942 2.426 . 0 0 "[ . 1 . 2]" 1
66 1 29 ASP HA 1 29 ASP QB 0.000 . 2.400 2.394 2.299 2.523 0.123 4 0 "[ . 1 . 2]" 1
67 1 30 LYS H 1 30 LYS QB 0.000 . 2.400 2.239 2.135 2.398 . 0 0 "[ . 1 . 2]" 1
68 1 30 LYS H 1 30 LYS QG 0.000 . 4.400 2.554 2.234 2.735 . 0 0 "[ . 1 . 2]" 1
69 1 31 VAL H 1 31 VAL HB 0.000 . 2.700 2.335 2.274 2.381 . 0 0 "[ . 1 . 2]" 1
70 1 31 VAL H 1 31 VAL QG 0.000 . 2.700 2.139 1.988 2.258 . 0 0 "[ . 1 . 2]" 1
71 1 31 VAL HA 1 31 VAL MG2 0.000 . 2.700 2.369 2.231 2.432 . 0 0 "[ . 1 . 2]" 1
72 1 31 VAL HA 1 31 VAL MG1 0.000 . 2.700 2.414 2.303 2.447 . 0 0 "[ . 1 . 2]" 1
73 1 32 LYS H 1 32 LYS QB 0.000 . 3.100 2.174 2.022 2.215 . 0 0 "[ . 1 . 2]" 1
74 1 32 LYS H 1 32 LYS QG 0.000 . 4.400 3.824 2.718 3.965 . 0 0 "[ . 1 . 2]" 1
75 1 34 VAL H 1 34 VAL HB 0.000 . 2.700 2.062 2.023 2.114 . 0 0 "[ . 1 . 2]" 1
76 1 34 VAL H 1 34 VAL MG2 0.000 . 3.500 2.641 2.506 2.774 . 0 0 "[ . 1 . 2]" 1
77 1 34 VAL HA 1 34 VAL MG2 0.000 . 2.700 2.087 1.998 2.211 . 0 0 "[ . 1 . 2]" 1
78 1 34 VAL HA 1 34 VAL MG1 0.000 . 2.700 2.687 2.633 2.739 0.039 6 0 "[ . 1 . 2]" 1
79 1 35 LEU HA 1 35 LEU HG 0.000 . 3.500 3.101 3.016 3.194 . 0 0 "[ . 1 . 2]" 1
80 1 35 LEU HA 1 35 LEU MD2 0.000 . 2.700 1.953 1.846 2.101 . 0 0 "[ . 1 . 2]" 1
81 1 35 LEU H 1 35 LEU MD1 0.000 . 5.000 3.400 3.327 3.505 . 0 0 "[ . 1 . 2]" 1
82 1 35 LEU H 1 35 LEU MD2 0.000 . 5.000 3.222 3.080 3.317 . 0 0 "[ . 1 . 2]" 1
83 1 36 LEU HA 1 36 LEU QB 0.000 . 2.400 2.416 2.347 2.449 0.049 2 0 "[ . 1 . 2]" 1
84 1 36 LEU HA 1 36 LEU MD2 0.000 . 2.700 2.212 1.951 2.540 . 0 0 "[ . 1 . 2]" 1
85 1 37 ASN HA 1 37 ASN QB 0.000 . 2.700 2.463 2.190 2.551 . 0 0 "[ . 1 . 2]" 1
86 1 37 ASN H 1 37 ASN QB 0.000 . 2.400 2.088 1.952 2.329 . 0 0 "[ . 1 . 2]" 1
87 1 37 ASN HA 1 37 ASN QD 0.000 . 4.400 3.856 3.245 4.407 0.007 13 0 "[ . 1 . 2]" 1
88 1 38 SER H 1 38 SER QB 0.000 . 2.700 2.413 2.035 2.808 0.108 13 0 "[ . 1 . 2]" 1
89 1 38 SER HA 1 38 SER QB 0.000 . 2.400 2.207 2.175 2.295 . 0 0 "[ . 1 . 2]" 1
90 1 38 SER H 1 38 SER HG 0.000 . 3.500 2.783 1.874 3.510 0.010 16 0 "[ . 1 . 2]" 1
91 1 39 LYS H 1 39 LYS QB 0.000 . 3.100 2.942 2.857 3.028 . 0 0 "[ . 1 . 2]" 1
92 1 40 LEU H 1 40 LEU QB 0.000 . 2.700 2.117 2.077 2.152 . 0 0 "[ . 1 . 2]" 1
93 1 40 LEU HA 1 40 LEU MD2 0.000 . 2.700 1.793 1.770 1.813 . 0 0 "[ . 1 . 2]" 1
94 1 42 VAL H 1 42 VAL HB 0.000 . 2.700 2.025 1.896 2.139 . 0 0 "[ . 1 . 2]" 1
95 1 42 VAL H 1 42 VAL QG 0.000 . 2.700 2.600 2.360 2.813 0.113 20 0 "[ . 1 . 2]" 1
96 1 42 VAL HA 1 42 VAL QG 0.000 . 2.700 2.004 1.915 2.093 . 0 0 "[ . 1 . 2]" 1
97 1 43 ASP H 1 43 ASP QB 0.000 . 3.100 2.157 2.013 2.456 . 0 0 "[ . 1 . 2]" 1
98 1 43 ASP HA 1 43 ASP QB 0.000 . 2.400 2.422 2.305 2.506 0.106 17 0 "[ . 1 . 2]" 1
99 1 44 ILE H 1 44 ILE HB 0.000 . 2.700 2.648 2.576 2.703 0.003 3 0 "[ . 1 . 2]" 1
100 1 44 ILE H 1 44 ILE QG 0.000 . 3.100 1.827 1.790 1.908 . 0 0 "[ . 1 . 2]" 1
101 1 44 ILE HA 1 44 ILE MG 0.000 . 2.700 2.110 2.056 2.260 . 0 0 "[ . 1 . 2]" 1
102 1 44 ILE HA 1 44 ILE MD 0.000 . 2.700 2.089 1.929 2.212 . 0 0 "[ . 1 . 2]" 1
103 1 45 LEU H 1 45 LEU QB 0.000 . 3.100 2.487 2.436 2.533 . 0 0 "[ . 1 . 2]" 1
104 1 45 LEU H 1 45 LEU HG 0.000 . 3.500 1.808 1.767 1.844 . 0 0 "[ . 1 . 2]" 1
105 1 46 GLY H 1 46 GLY QA 0.000 . 2.400 2.268 2.261 2.286 . 0 0 "[ . 1 . 2]" 1
106 1 47 ARG H 1 47 ARG QB 0.000 . 2.700 2.139 2.059 2.255 . 0 0 "[ . 1 . 2]" 1
107 1 47 ARG H 1 47 ARG QG 0.000 . 4.400 3.720 3.307 3.959 . 0 0 "[ . 1 . 2]" 1
108 1 47 ARG HA 1 47 ARG QB 0.000 . 2.700 2.507 2.346 2.544 . 0 0 "[ . 1 . 2]" 1
109 1 47 ARG HA 1 47 ARG QG 0.000 . 2.700 2.166 2.004 2.522 . 0 0 "[ . 1 . 2]" 1
110 1 48 VAL H 1 48 VAL HB 0.000 . 2.700 2.189 2.127 2.242 . 0 0 "[ . 1 . 2]" 1
111 1 48 VAL H 1 48 VAL QG 0.000 . 2.700 2.456 2.383 2.538 . 0 0 "[ . 1 . 2]" 1
112 1 48 VAL HA 1 48 VAL MG2 0.000 . 2.700 2.254 2.198 2.315 . 0 0 "[ . 1 . 2]" 1
113 1 48 VAL HA 1 48 VAL MG1 0.000 . 2.700 2.570 2.506 2.671 . 0 0 "[ . 1 . 2]" 1
114 1 49 TRP H 1 49 TRP QB 0.000 . 2.400 2.119 2.082 2.150 . 0 0 "[ . 1 . 2]" 1
115 1 49 TRP H 1 49 TRP HD1 0.000 . 5.000 4.331 4.265 4.410 . 0 0 "[ . 1 . 2]" 1
116 1 49 TRP HA 1 49 TRP QB 0.000 . 2.700 2.283 2.273 2.290 . 0 0 "[ . 1 . 2]" 1
117 1 49 TRP HA 1 49 TRP HD1 0.000 . 5.000 4.117 4.070 4.167 . 0 0 "[ . 1 . 2]" 1
118 1 49 TRP HA 1 49 TRP HE3 0.000 . 3.500 3.543 3.454 3.586 0.086 15 0 "[ . 1 . 2]" 1
119 1 49 TRP QB 1 49 TRP HE1 0.000 . 4.400 4.450 4.440 4.459 0.059 18 0 "[ . 1 . 2]" 1
120 1 50 GLU H 1 50 GLU QB 0.000 . 2.700 2.273 1.846 2.457 . 0 0 "[ . 1 . 2]" 1
121 1 50 GLU H 1 50 GLU QG 0.000 . 3.500 2.345 1.838 3.601 0.101 10 0 "[ . 1 . 2]" 1
122 1 50 GLU HA 1 50 GLU QB 0.000 . 2.400 2.421 2.359 2.524 0.124 15 0 "[ . 1 . 2]" 1
123 1 50 GLU HA 1 50 GLU QG 0.000 . 3.100 2.296 2.111 2.643 . 0 0 "[ . 1 . 2]" 1
124 1 51 LEU H 1 51 LEU QB 0.000 . 3.100 2.409 2.306 2.503 . 0 0 "[ . 1 . 2]" 1
125 1 51 LEU H 1 51 LEU HG 0.000 . 3.500 2.039 1.850 2.238 . 0 0 "[ . 1 . 2]" 1
126 1 51 LEU HA 1 51 LEU MD2 0.000 . 2.700 2.622 2.319 2.748 0.048 13 0 "[ . 1 . 2]" 1
127 1 52 SER H 1 52 SER QB 0.000 . 2.400 2.166 2.057 2.374 . 0 0 "[ . 1 . 2]" 1
128 1 52 SER HA 1 52 SER QB 0.000 . 2.700 2.360 2.245 2.474 . 0 0 "[ . 1 . 2]" 1
129 1 53 ASP H 1 53 ASP QB 0.000 . 2.400 2.062 1.929 2.270 . 0 0 "[ . 1 . 2]" 1
130 1 53 ASP HA 1 53 ASP QB 0.000 . 2.700 2.498 2.324 2.546 . 0 0 "[ . 1 . 2]" 1
131 1 54 ILE H 1 54 ILE HB 0.000 . 2.700 2.418 2.187 2.664 . 0 0 "[ . 1 . 2]" 1
132 1 54 ILE H 1 54 ILE QG 0.000 . 3.500 2.057 1.766 2.949 . 0 0 "[ . 1 . 2]" 1
133 1 54 ILE HA 1 54 ILE MG 0.000 . 2.700 2.372 2.225 2.524 . 0 0 "[ . 1 . 2]" 1
134 1 55 ASP H 1 55 ASP QB 0.000 . 3.500 2.625 2.118 2.939 . 0 0 "[ . 1 . 2]" 1
135 1 56 HIS H 1 56 HIS HA 0.000 . 2.700 2.365 2.354 2.373 . 0 0 "[ . 1 . 2]" 1
136 1 56 HIS H 1 56 HIS QB 0.000 . 3.500 3.253 2.781 3.443 . 0 0 "[ . 1 . 2]" 1
137 1 56 HIS H 1 56 HIS HD2 0.000 . 5.000 3.160 1.887 3.932 . 0 0 "[ . 1 . 2]" 1
138 1 56 HIS HA 1 56 HIS QB 0.000 . 2.400 2.332 2.194 2.509 0.109 3 0 "[ . 1 . 2]" 1
139 1 56 HIS HA 1 56 HIS HD2 0.000 . 5.000 3.762 2.339 4.683 . 0 0 "[ . 1 . 2]" 1
140 1 57 ASP H 1 57 ASP QB 0.000 . 3.500 2.680 2.438 3.003 . 0 0 "[ . 1 . 2]" 1
141 1 57 ASP HA 1 57 ASP QB 0.000 . 2.400 2.208 2.198 2.275 . 0 0 "[ . 1 . 2]" 1
142 1 59 MET H 1 59 MET QB 0.000 . 3.100 2.736 2.556 3.028 . 0 0 "[ . 1 . 2]" 1
143 1 59 MET H 1 59 MET QG 0.000 . 3.500 3.086 2.574 3.344 . 0 0 "[ . 1 . 2]" 1
144 1 59 MET HA 1 59 MET QB 0.000 . 2.700 2.380 2.243 2.453 . 0 0 "[ . 1 . 2]" 1
145 1 59 MET HA 1 59 MET QG 0.000 . 3.500 2.455 2.275 2.687 . 0 0 "[ . 1 . 2]" 1
146 1 60 LEU HA 1 60 LEU MD2 0.000 . 2.700 1.819 1.777 1.896 . 0 0 "[ . 1 . 2]" 1
147 1 61 ASP HA 1 61 ASP QB 0.000 . 2.400 2.315 2.194 2.478 0.078 4 0 "[ . 1 . 2]" 1
148 1 62 ARG H 1 62 ARG QB 0.000 . 3.500 2.438 2.157 2.683 . 0 0 "[ . 1 . 2]" 1
149 1 63 ASP H 1 63 ASP QB 0.000 . 3.100 2.106 1.970 2.507 . 0 0 "[ . 1 . 2]" 1
150 1 64 GLU H 1 64 GLU QB 0.000 . 3.100 2.212 1.932 2.505 . 0 0 "[ . 1 . 2]" 1
151 1 65 PHE H 1 65 PHE QB 0.000 . 3.500 2.118 2.071 2.169 . 0 0 "[ . 1 . 2]" 1
152 1 65 PHE HA 1 65 PHE QD 0.000 . 3.500 3.011 2.811 3.114 . 0 0 "[ . 1 . 2]" 1
153 1 66 ALA H 1 66 ALA MB 0.000 . 2.700 2.112 1.949 2.171 . 0 0 "[ . 1 . 2]" 1
154 1 67 VAL H 1 67 VAL HB 0.000 . 3.500 2.420 2.272 2.580 . 0 0 "[ . 1 . 2]" 1
155 1 67 VAL H 1 67 VAL MG2 0.000 . 3.500 1.902 1.816 2.063 . 0 0 "[ . 1 . 2]" 1
156 1 67 VAL HA 1 67 VAL MG2 0.000 . 2.700 2.370 2.275 2.446 . 0 0 "[ . 1 . 2]" 1
157 1 67 VAL HA 1 67 VAL MG1 0.000 . 2.700 2.372 2.258 2.450 . 0 0 "[ . 1 . 2]" 1
158 1 68 ALA H 1 68 ALA MB 0.000 . 2.700 2.019 1.933 2.173 . 0 0 "[ . 1 . 2]" 1
159 1 69 MET H 1 69 MET QB 0.000 . 3.500 2.320 2.049 2.613 . 0 0 "[ . 1 . 2]" 1
160 1 69 MET H 1 69 MET QG 0.000 . 3.100 2.513 2.008 2.987 . 0 0 "[ . 1 . 2]" 1
161 1 70 PHE H 1 70 PHE QB 0.000 . 3.100 2.234 2.172 2.308 . 0 0 "[ . 1 . 2]" 1
162 1 71 LEU H 1 71 LEU QB 0.000 . 3.100 1.994 1.957 2.090 . 0 0 "[ . 1 . 2]" 1
163 1 71 LEU HA 1 71 LEU MD2 0.000 . 2.700 1.959 1.838 2.215 . 0 0 "[ . 1 . 2]" 1
164 1 72 VAL H 1 72 VAL HB 0.000 . 3.500 2.215 2.139 2.278 . 0 0 "[ . 1 . 2]" 1
165 1 72 VAL H 1 72 VAL MG2 0.000 . 3.500 2.568 2.361 2.834 . 0 0 "[ . 1 . 2]" 1
166 1 72 VAL HA 1 72 VAL MG2 0.000 . 2.700 2.253 2.054 2.372 . 0 0 "[ . 1 . 2]" 1
167 1 72 VAL HA 1 72 VAL MG1 0.000 . 2.700 2.473 2.359 2.569 . 0 0 "[ . 1 . 2]" 1
168 1 73 TYR H 1 73 TYR QB 0.000 . 3.500 2.014 1.953 2.115 . 0 0 "[ . 1 . 2]" 1
169 1 73 TYR HA 1 73 TYR QD 0.000 . 3.500 2.194 1.903 2.520 . 0 0 "[ . 1 . 2]" 1
170 1 73 TYR QB 1 73 TYR QD 0.000 . 3.100 2.179 2.158 2.213 . 0 0 "[ . 1 . 2]" 1
171 1 75 ALA H 1 75 ALA MB 0.000 . 3.500 2.063 1.978 2.213 . 0 0 "[ . 1 . 2]" 1
172 1 76 LEU H 1 76 LEU QB 0.000 . 3.100 2.416 2.129 2.653 . 0 0 "[ . 1 . 2]" 1
173 1 76 LEU HA 1 76 LEU QD 0.000 . 2.700 2.431 1.937 3.062 0.362 11 0 "[ . 1 . 2]" 1
174 1 77 GLU H 1 77 GLU QB 0.000 . 3.100 2.193 1.910 2.823 . 0 0 "[ . 1 . 2]" 1
175 1 78 LYS H 1 78 LYS QB 0.000 . 3.100 2.798 2.181 2.953 . 0 0 "[ . 1 . 2]" 1
176 1 78 LYS HA 1 78 LYS QB 0.000 . 2.400 2.466 2.288 2.535 0.135 16 0 "[ . 1 . 2]" 1
177 1 78 LYS HA 1 78 LYS QG 0.000 . 2.700 2.238 1.904 2.679 . 0 0 "[ . 1 . 2]" 1
178 1 79 GLU H 1 79 GLU QB 0.000 . 3.100 2.354 1.942 2.874 . 0 0 "[ . 1 . 2]" 1
179 1 81 VAL H 1 81 VAL HB 0.000 . 2.700 2.516 2.346 2.794 0.094 20 0 "[ . 1 . 2]" 1
180 1 81 VAL H 1 81 VAL QG 0.000 . 3.500 2.607 1.936 2.923 . 0 0 "[ . 1 . 2]" 1
181 1 81 VAL HA 1 81 VAL MG1 0.000 . 2.700 2.369 2.108 2.566 . 0 0 "[ . 1 . 2]" 1
182 1 81 VAL HA 1 81 VAL MG2 0.000 . 2.700 2.345 2.191 2.666 . 0 0 "[ . 1 . 2]" 1
183 1 83 MET H 1 83 MET QB 0.000 . 3.100 2.609 2.255 3.095 . 0 0 "[ . 1 . 2]" 1
184 1 83 MET HA 1 83 MET QB 0.000 . 2.400 2.292 2.166 2.403 0.003 15 0 "[ . 1 . 2]" 1
185 1 84 SER H 1 84 SER QB 0.000 . 2.700 2.432 2.137 2.768 0.068 14 0 "[ . 1 . 2]" 1
186 1 85 LEU H 1 85 LEU QB 0.000 . 3.100 2.151 1.911 2.961 . 0 0 "[ . 1 . 2]" 1
187 1 85 LEU H 1 85 LEU HG 0.000 . 3.500 3.573 3.209 3.882 0.382 14 0 "[ . 1 . 2]" 1
188 1 85 LEU HA 1 85 LEU QD 0.000 . 2.400 2.200 1.949 2.811 0.411 14 0 "[ . 1 . 2]" 1
189 1 88 ALA H 1 88 ALA MB 0.000 . 2.700 2.032 1.928 2.173 . 0 0 "[ . 1 . 2]" 1
190 1 89 LEU H 1 89 LEU QB 0.000 . 3.100 2.376 2.033 2.862 . 0 0 "[ . 1 . 2]" 1
191 1 89 LEU H 1 89 LEU HG 0.000 . 5.000 3.660 2.391 4.576 . 0 0 "[ . 1 . 2]" 1
192 1 89 LEU HA 1 89 LEU QD 0.000 . 3.500 2.334 1.687 3.353 . 0 0 "[ . 1 . 2]" 1
193 1 90 VAL H 1 90 VAL HB 0.000 . 3.500 2.618 2.092 3.594 0.094 6 0 "[ . 1 . 2]" 1
194 1 90 VAL H 1 90 VAL QG 0.000 . 3.500 2.303 1.747 2.844 . 0 0 "[ . 1 . 2]" 1
195 1 94 LYS H 1 94 LYS QB 0.000 . 3.100 2.129 2.012 2.292 . 0 0 "[ . 1 . 2]" 1
196 1 95 ARG H 1 95 ARG QB 0.000 . 3.100 2.503 1.919 3.166 0.066 1 0 "[ . 1 . 2]" 1
197 1 95 ARG H 1 95 ARG QG 0.000 . 3.500 2.696 1.836 3.585 0.085 7 0 "[ . 1 . 2]" 1
198 1 95 ARG H 1 95 ARG QD 0.000 . 5.000 3.735 2.250 4.984 . 0 0 "[ . 1 . 2]" 1
199 1 95 ARG H 1 95 ARG HE 0.000 . 5.000 4.254 2.195 4.990 . 0 0 "[ . 1 . 2]" 1
200 1 1 PRO HA 1 2 TRP H 0.000 . 2.700 2.649 2.437 2.793 0.093 12 0 "[ . 1 . 2]" 1
201 1 1 PRO QB 1 2 TRP H 0.000 . 3.100 2.205 1.855 2.680 . 0 0 "[ . 1 . 2]" 1
202 1 1 PRO QG 1 2 TRP H 0.000 . 5.000 3.860 3.544 4.262 . 0 0 "[ . 1 . 2]" 1
203 1 2 TRP H 1 3 ALA H 0.000 . 5.000 4.534 4.413 4.612 . 0 0 "[ . 1 . 2]" 1
204 1 2 TRP HA 1 3 ALA H 0.000 . 3.500 2.213 2.194 2.237 . 0 0 "[ . 1 . 2]" 1
205 1 2 TRP HA 1 3 ALA HA 0.000 . 5.000 4.489 4.444 4.523 . 0 0 "[ . 1 . 2]" 1
206 1 2 TRP HA 1 3 ALA MB 0.000 . 5.000 3.953 3.854 4.010 . 0 0 "[ . 1 . 2]" 1
207 1 2 TRP QB 1 3 ALA H 0.000 . 4.400 3.859 3.766 3.924 . 0 0 "[ . 1 . 2]" 1
208 1 2 TRP HD1 1 3 ALA H 0.000 . 3.500 1.966 1.851 2.192 . 0 0 "[ . 1 . 2]" 1
209 1 2 TRP HD1 1 3 ALA MB 0.000 . 5.000 2.962 2.650 3.200 . 0 0 "[ . 1 . 2]" 1
210 1 2 TRP HE1 1 3 ALA H 0.000 . 5.000 4.140 3.885 4.401 . 0 0 "[ . 1 . 2]" 1
211 1 2 TRP HE1 1 3 ALA MB 0.000 . 5.000 3.541 3.290 3.816 . 0 0 "[ . 1 . 2]" 1
212 1 2 TRP H 1 4 VAL H 0.000 . 5.000 5.054 4.956 5.155 0.155 12 0 "[ . 1 . 2]" 1
213 1 2 TRP HE1 1 4 VAL H 0.000 . 3.500 3.411 3.228 3.531 0.031 12 0 "[ . 1 . 2]" 1
214 1 2 TRP HD1 1 4 VAL MG2 0.000 . 5.000 4.096 3.352 4.463 . 0 0 "[ . 1 . 2]" 1
215 1 2 TRP HE1 1 4 VAL MG2 0.000 . 3.500 2.983 2.390 3.331 . 0 0 "[ . 1 . 2]" 1
216 1 2 TRP HE3 1 4 VAL HB 0.000 . 5.000 3.808 3.435 4.163 . 0 0 "[ . 1 . 2]" 1
217 1 2 TRP HE3 1 4 VAL MG1 0.000 . 5.000 3.854 3.455 4.541 . 0 0 "[ . 1 . 2]" 1
218 1 2 TRP HH2 1 4 VAL HB 0.000 . 5.000 4.160 3.684 4.528 . 0 0 "[ . 1 . 2]" 1
219 1 2 TRP HH2 1 4 VAL MG1 0.000 . 3.500 3.361 3.058 3.527 0.027 17 0 "[ . 1 . 2]" 1
220 1 2 TRP HZ2 1 4 VAL MG2 0.000 . 5.000 3.090 2.715 3.340 . 0 0 "[ . 1 . 2]" 1
221 1 2 TRP HZ3 1 4 VAL HB 0.000 . 5.000 4.319 3.820 4.810 . 0 0 "[ . 1 . 2]" 1
222 1 2 TRP HZ3 1 4 VAL MG1 0.000 . 5.000 3.536 3.299 4.068 . 0 0 "[ . 1 . 2]" 1
223 1 3 ALA H 1 4 VAL H 0.000 . 5.000 2.898 2.834 2.955 . 0 0 "[ . 1 . 2]" 1
224 1 3 ALA H 1 4 VAL MG2 0.000 . 5.000 4.522 3.993 4.820 . 0 0 "[ . 1 . 2]" 1
225 1 3 ALA HA 1 4 VAL H 0.000 . 3.500 3.512 3.496 3.535 0.035 8 0 "[ . 1 . 2]" 1
226 1 3 ALA MB 1 4 VAL H 0.000 . 2.700 2.702 2.618 2.752 0.052 6 0 "[ . 1 . 2]" 1
227 1 3 ALA MB 1 4 VAL HA 0.000 . 5.000 3.948 3.801 4.031 . 0 0 "[ . 1 . 2]" 1
228 1 3 ALA MB 1 4 VAL MG2 0.000 . 3.500 2.844 2.459 3.100 . 0 0 "[ . 1 . 2]" 1
229 1 4 VAL H 1 5 LYS H 0.000 . 5.000 4.559 4.356 4.645 . 0 0 "[ . 1 . 2]" 1
230 1 4 VAL HA 1 5 LYS H 0.000 . 2.700 2.287 2.200 2.424 . 0 0 "[ . 1 . 2]" 1
231 1 4 VAL HB 1 5 LYS H 0.000 . 5.000 4.181 3.886 4.480 . 0 0 "[ . 1 . 2]" 1
232 1 4 VAL MG1 1 5 LYS H 0.000 . 3.500 2.423 1.858 3.018 . 0 0 "[ . 1 . 2]" 1
233 1 4 VAL MG2 1 5 LYS H 0.000 . 5.000 3.852 3.636 4.233 . 0 0 "[ . 1 . 2]" 1
234 1 4 VAL MG1 1 8 ASP H 0.000 . 5.000 3.976 3.674 4.313 . 0 0 "[ . 1 . 2]" 1
235 1 4 VAL MG1 1 8 ASP QB 0.000 . 3.100 2.278 1.843 2.809 . 0 0 "[ . 1 . 2]" 1
236 1 4 VAL MG1 1 9 LYS H 0.000 . 3.500 2.850 2.626 3.076 . 0 0 "[ . 1 . 2]" 1
237 1 4 VAL MG1 1 9 LYS HA 0.000 . 3.500 2.952 2.664 3.237 . 0 0 "[ . 1 . 2]" 1
238 1 4 VAL MG1 1 9 LYS QB 0.000 . 3.100 2.132 1.846 2.675 . 0 0 "[ . 1 . 2]" 1
239 1 4 VAL MG1 1 9 LYS QG 0.000 . 4.400 3.296 2.151 4.370 . 0 0 "[ . 1 . 2]" 1
240 1 4 VAL MG1 1 10 ALA H 0.000 . 5.000 4.725 4.490 4.980 . 0 0 "[ . 1 . 2]" 1
241 1 5 LYS H 1 6 PRO QD 0.000 . 4.400 4.335 4.291 4.395 . 0 0 "[ . 1 . 2]" 1
242 1 5 LYS HA 1 6 PRO QD 0.000 . 2.400 2.282 2.134 2.402 0.002 10 0 "[ . 1 . 2]" 1
243 1 5 LYS HA 1 6 PRO QG 0.000 . 4.400 4.199 4.041 4.308 . 0 0 "[ . 1 . 2]" 1
244 1 5 LYS QB 1 6 PRO QD 0.000 . 3.900 1.870 1.755 2.219 . 0 0 "[ . 1 . 2]" 1
245 1 5 LYS H 1 7 GLU H 0.000 . 5.000 4.969 4.863 5.071 0.071 13 0 "[ . 1 . 2]" 1
246 1 5 LYS HA 1 7 GLU H 0.000 . 5.000 4.352 4.039 4.521 . 0 0 "[ . 1 . 2]" 1
247 1 5 LYS QB 1 7 GLU H 0.000 . 5.000 2.421 2.261 2.683 . 0 0 "[ . 1 . 2]" 1
248 1 5 LYS QG 1 7 GLU H 0.000 . 5.000 4.235 3.774 4.783 . 0 0 "[ . 1 . 2]" 1
249 1 5 LYS H 1 8 ASP H 0.000 . 5.000 3.563 3.406 3.783 . 0 0 "[ . 1 . 2]" 1
250 1 5 LYS H 1 8 ASP HA 0.000 . 5.000 5.011 4.889 5.049 0.049 18 0 "[ . 1 . 2]" 1
251 1 5 LYS H 1 8 ASP QB 0.000 . 4.400 2.046 1.851 2.196 . 0 0 "[ . 1 . 2]" 1
252 1 5 LYS QB 1 8 ASP H 0.000 . 4.400 2.558 2.130 2.827 . 0 0 "[ . 1 . 2]" 1
253 1 5 LYS QG 1 8 ASP H 0.000 . 5.000 4.510 3.164 4.848 . 0 0 "[ . 1 . 2]" 1
254 1 5 LYS H 1 9 LYS H 0.000 . 5.000 3.873 3.512 4.110 . 0 0 "[ . 1 . 2]" 1
255 1 6 PRO HA 1 7 GLU H 0.000 . 5.000 3.535 3.494 3.564 . 0 0 "[ . 1 . 2]" 1
256 1 6 PRO QB 1 7 GLU H 0.000 . 3.100 3.152 3.109 3.212 0.112 13 0 "[ . 1 . 2]" 1
257 1 6 PRO QD 1 7 GLU H 0.000 . 4.400 2.569 2.446 2.680 . 0 0 "[ . 1 . 2]" 1
258 1 6 PRO HA 1 8 ASP H 0.000 . 5.000 4.231 4.013 4.458 . 0 0 "[ . 1 . 2]" 1
259 1 6 PRO QD 1 8 ASP H 0.000 . 4.400 3.978 3.812 4.189 . 0 0 "[ . 1 . 2]" 1
260 1 6 PRO HA 1 9 LYS H 0.000 . 5.000 3.515 3.294 3.785 . 0 0 "[ . 1 . 2]" 1
261 1 6 PRO HA 1 9 LYS QB 0.000 . 3.500 2.634 2.029 3.112 . 0 0 "[ . 1 . 2]" 1
262 1 7 GLU H 1 8 ASP H 0.000 . 3.500 2.442 2.286 2.563 . 0 0 "[ . 1 . 2]" 1
263 1 7 GLU HA 1 8 ASP H 0.000 . 3.500 3.507 3.449 3.539 0.039 11 0 "[ . 1 . 2]" 1
264 1 7 GLU QB 1 8 ASP H 0.000 . 3.500 3.151 2.577 3.557 0.057 5 0 "[ . 1 . 2]" 1
265 1 7 GLU QG 1 8 ASP H 0.000 . 3.500 2.714 1.827 3.625 0.125 4 0 "[ . 1 . 2]" 1
266 1 7 GLU H 1 9 LYS H 0.000 . 5.000 3.989 3.765 4.147 . 0 0 "[ . 1 . 2]" 1
267 1 7 GLU H 1 10 ALA H 0.000 . 5.000 4.622 4.494 4.814 . 0 0 "[ . 1 . 2]" 1
268 1 7 GLU H 1 10 ALA MB 0.000 . 5.000 4.385 4.257 4.568 . 0 0 "[ . 1 . 2]" 1
269 1 7 GLU HA 1 10 ALA H 0.000 . 3.500 3.499 3.385 3.590 0.090 10 0 "[ . 1 . 2]" 1
270 1 7 GLU HA 1 10 ALA MB 0.000 . 2.700 2.381 2.241 2.568 . 0 0 "[ . 1 . 2]" 1
271 1 7 GLU QB 1 10 ALA MB 0.000 . 5.000 3.889 3.712 4.123 . 0 0 "[ . 1 . 2]" 1
272 1 7 GLU QG 1 10 ALA MB 0.000 . 5.000 4.523 4.253 4.841 . 0 0 "[ . 1 . 2]" 1
273 1 8 ASP H 1 9 LYS H 0.000 . 3.500 2.378 2.323 2.438 . 0 0 "[ . 1 . 2]" 1
274 1 8 ASP HA 1 9 LYS H 0.000 . 3.500 3.538 3.519 3.552 0.052 19 0 "[ . 1 . 2]" 1
275 1 8 ASP QB 1 9 LYS H 0.000 . 3.100 2.576 2.406 2.754 . 0 0 "[ . 1 . 2]" 1
276 1 8 ASP H 1 9 LYS HA 0.000 . 5.000 5.099 5.060 5.138 0.138 19 0 "[ . 1 . 2]" 1
277 1 8 ASP H 1 10 ALA H 0.000 . 5.000 3.596 3.495 3.685 . 0 0 "[ . 1 . 2]" 1
278 1 8 ASP H 1 11 LYS H 0.000 . 5.000 4.899 4.761 5.009 0.009 11 0 "[ . 1 . 2]" 1
279 1 8 ASP HA 1 11 LYS QB 0.000 . 3.500 3.525 3.453 3.570 0.070 18 0 "[ . 1 . 2]" 1
280 1 8 ASP HA 1 11 LYS QG 0.000 . 4.400 2.908 2.234 3.353 . 0 0 "[ . 1 . 2]" 1
281 1 8 ASP HA 1 11 LYS QD 0.000 . 5.000 3.405 2.067 4.596 . 0 0 "[ . 1 . 2]" 1
282 1 8 ASP HA 1 11 LYS QE 0.000 . 5.000 3.381 1.761 4.880 . 0 0 "[ . 1 . 2]" 1
283 1 8 ASP HA 1 12 TYR QD 0.000 . 5.000 4.494 4.156 4.866 . 0 0 "[ . 1 . 2]" 1
284 1 8 ASP HA 1 12 TYR QE 0.000 . 5.000 3.851 3.589 4.144 . 0 0 "[ . 1 . 2]" 1
285 1 8 ASP QB 1 12 TYR QE 0.000 . 4.400 2.819 2.448 3.088 . 0 0 "[ . 1 . 2]" 1
286 1 9 LYS H 1 10 ALA H 0.000 . 3.500 2.477 2.313 2.568 . 0 0 "[ . 1 . 2]" 1
287 1 9 LYS HA 1 10 ALA H 0.000 . 3.500 3.446 3.403 3.510 0.010 17 0 "[ . 1 . 2]" 1
288 1 9 LYS QB 1 10 ALA H 0.000 . 3.100 2.943 2.754 3.114 0.014 8 0 "[ . 1 . 2]" 1
289 1 9 LYS HA 1 11 LYS H 0.000 . 5.000 4.346 3.994 4.488 . 0 0 "[ . 1 . 2]" 1
290 1 9 LYS QB 1 11 LYS H 0.000 . 5.000 4.955 4.761 5.036 0.036 5 0 "[ . 1 . 2]" 1
291 1 9 LYS H 1 11 LYS H 0.000 . 5.000 4.298 4.100 4.408 . 0 0 "[ . 1 . 2]" 1
292 1 9 LYS HA 1 12 TYR H 0.000 . 5.000 3.180 2.932 3.364 . 0 0 "[ . 1 . 2]" 1
293 1 9 LYS QB 1 12 TYR H 0.000 . 5.000 4.792 4.581 4.926 . 0 0 "[ . 1 . 2]" 1
294 1 9 LYS H 1 12 TYR H 0.000 . 5.000 4.655 4.527 4.775 . 0 0 "[ . 1 . 2]" 1
295 1 9 LYS H 1 12 TYR QD 0.000 . 5.000 4.538 4.176 4.787 . 0 0 "[ . 1 . 2]" 1
296 1 9 LYS H 1 12 TYR QE 0.000 . 5.000 4.824 4.336 5.057 0.057 16 0 "[ . 1 . 2]" 1
297 1 9 LYS HA 1 12 TYR QB 0.000 . 3.500 2.044 1.865 2.332 . 0 0 "[ . 1 . 2]" 1
298 1 9 LYS HA 1 12 TYR QD 0.000 . 3.500 2.521 2.045 3.043 . 0 0 "[ . 1 . 2]" 1
299 1 9 LYS HA 1 12 TYR QE 0.000 . 5.000 4.090 3.604 4.647 . 0 0 "[ . 1 . 2]" 1
300 1 9 LYS HA 1 13 ASP H 0.000 . 5.000 3.905 3.606 4.167 . 0 0 "[ . 1 . 2]" 1
301 1 9 LYS QB 1 13 ASP H 0.000 . 5.000 5.040 4.776 5.118 0.118 19 0 "[ . 1 . 2]" 1
302 1 9 LYS QD 1 13 ASP H 0.000 . 5.000 4.315 3.076 5.079 0.079 17 0 "[ . 1 . 2]" 1
303 1 10 ALA H 1 11 LYS H 0.000 . 3.500 2.526 2.297 2.865 . 0 0 "[ . 1 . 2]" 1
304 1 10 ALA HA 1 11 LYS H 0.000 . 5.000 3.558 3.470 3.580 . 0 0 "[ . 1 . 2]" 1
305 1 10 ALA HA 1 12 TYR H 0.000 . 5.000 4.196 3.945 4.680 . 0 0 "[ . 1 . 2]" 1
306 1 10 ALA H 1 12 TYR H 0.000 . 5.000 3.618 3.457 3.986 . 0 0 "[ . 1 . 2]" 1
307 1 10 ALA H 1 12 TYR QD 0.000 . 5.000 5.103 5.068 5.147 0.147 16 0 "[ . 1 . 2]" 1
308 1 10 ALA H 1 13 ASP H 0.000 . 5.000 4.471 4.253 4.591 . 0 0 "[ . 1 . 2]" 1
309 1 10 ALA HA 1 13 ASP H 0.000 . 3.500 3.436 3.265 3.526 0.026 19 0 "[ . 1 . 2]" 1
310 1 10 ALA HA 1 13 ASP QB 0.000 . 2.700 2.656 2.319 2.758 0.058 14 0 "[ . 1 . 2]" 1
311 1 10 ALA MB 1 13 ASP QB 0.000 . 4.400 4.073 3.775 4.194 . 0 0 "[ . 1 . 2]" 1
312 1 10 ALA HA 1 14 ALA H 0.000 . 5.000 4.826 4.529 5.026 0.026 13 0 "[ . 1 . 2]" 1
313 1 11 LYS H 1 12 TYR H 0.000 . 3.500 2.366 2.109 2.429 . 0 0 "[ . 1 . 2]" 1
314 1 11 LYS HA 1 12 TYR H 0.000 . 3.500 3.481 3.428 3.540 0.040 19 0 "[ . 1 . 2]" 1
315 1 11 LYS QB 1 12 TYR H 0.000 . 3.500 3.304 2.381 3.548 0.048 18 0 "[ . 1 . 2]" 1
316 1 11 LYS QG 1 12 TYR H 0.000 . 4.400 2.491 1.960 3.514 . 0 0 "[ . 1 . 2]" 1
317 1 11 LYS H 1 12 TYR QB 0.000 . 4.400 4.308 3.981 4.414 0.014 13 0 "[ . 1 . 2]" 1
318 1 11 LYS H 1 12 TYR QD 0.000 . 5.000 4.080 3.818 4.282 . 0 0 "[ . 1 . 2]" 1
319 1 11 LYS H 1 12 TYR QE 0.000 . 5.000 5.051 5.018 5.078 0.078 12 0 "[ . 1 . 2]" 1
320 1 11 LYS QE 1 12 TYR QD 0.000 . 5.000 3.838 2.967 5.006 0.006 16 0 "[ . 1 . 2]" 1
321 1 11 LYS QE 1 12 TYR QE 0.000 . 5.000 2.946 1.963 4.876 . 0 0 "[ . 1 . 2]" 1
322 1 11 LYS HA 1 13 ASP H 0.000 . 5.000 4.141 3.618 4.326 . 0 0 "[ . 1 . 2]" 1
323 1 11 LYS QB 1 13 ASP H 0.000 . 5.000 4.947 4.229 5.133 0.133 10 0 "[ . 1 . 2]" 1
324 1 11 LYS QG 1 13 ASP H 0.000 . 4.400 4.440 4.200 4.687 0.287 15 0 "[ . 1 . 2]" 1
325 1 11 LYS H 1 13 ASP H 0.000 . 5.000 3.896 3.348 4.018 . 0 0 "[ . 1 . 2]" 1
326 1 11 LYS HA 1 14 ALA H 0.000 . 3.500 3.353 2.932 3.534 0.034 20 0 "[ . 1 . 2]" 1
327 1 11 LYS HA 1 14 ALA MB 0.000 . 2.700 2.440 2.139 2.659 . 0 0 "[ . 1 . 2]" 1
328 1 11 LYS QB 1 14 ALA H 0.000 . 5.000 4.809 4.290 4.998 . 0 0 "[ . 1 . 2]" 1
329 1 11 LYS QG 1 14 ALA H 0.000 . 5.000 4.721 4.442 5.085 0.085 16 0 "[ . 1 . 2]" 1
330 1 11 LYS H 1 14 ALA H 0.000 . 5.000 4.864 4.366 5.033 0.033 20 0 "[ . 1 . 2]" 1
331 1 11 LYS HA 1 15 ILE H 0.000 . 5.000 4.327 3.980 4.687 . 0 0 "[ . 1 . 2]" 1
332 1 12 TYR H 1 13 ASP H 0.000 . 3.500 2.435 2.304 2.579 . 0 0 "[ . 1 . 2]" 1
333 1 12 TYR H 1 13 ASP QB 0.000 . 4.400 4.082 3.889 4.237 . 0 0 "[ . 1 . 2]" 1
334 1 12 TYR QB 1 13 ASP H 0.000 . 4.400 2.559 2.384 2.815 . 0 0 "[ . 1 . 2]" 1
335 1 12 TYR QD 1 13 ASP H 0.000 . 5.000 4.193 4.113 4.254 . 0 0 "[ . 1 . 2]" 1
336 1 12 TYR H 1 14 ALA H 0.000 . 5.000 3.801 3.674 3.996 . 0 0 "[ . 1 . 2]" 1
337 1 12 TYR QD 1 14 ALA H 0.000 . 5.000 4.901 4.848 5.002 0.002 19 0 "[ . 1 . 2]" 1
338 1 12 TYR H 1 15 ILE H 0.000 . 5.000 4.776 4.628 4.877 . 0 0 "[ . 1 . 2]" 1
339 1 12 TYR HA 1 15 ILE HB 0.000 . 3.500 2.657 2.514 2.814 . 0 0 "[ . 1 . 2]" 1
340 1 12 TYR HA 1 15 ILE QG 0.000 . 5.000 4.080 3.916 4.208 . 0 0 "[ . 1 . 2]" 1
341 1 12 TYR HA 1 15 ILE MG 0.000 . 5.000 3.830 3.597 4.026 . 0 0 "[ . 1 . 2]" 1
342 1 12 TYR H 1 15 ILE MD 0.000 . 5.000 4.165 3.813 4.524 . 0 0 "[ . 1 . 2]" 1
343 1 12 TYR HA 1 15 ILE MD 0.000 . 2.700 2.514 2.343 2.680 . 0 0 "[ . 1 . 2]" 1
344 1 12 TYR QB 1 15 ILE MD 0.000 . 4.400 4.321 4.181 4.408 0.008 4 0 "[ . 1 . 2]" 1
345 1 12 TYR QD 1 15 ILE HB 0.000 . 5.000 4.216 4.047 4.332 . 0 0 "[ . 1 . 2]" 1
346 1 12 TYR QD 1 15 ILE MG 0.000 . 5.000 4.849 4.620 4.963 . 0 0 "[ . 1 . 2]" 1
347 1 12 TYR QD 1 15 ILE MD 0.000 . 2.700 2.739 2.653 2.789 0.089 1 0 "[ . 1 . 2]" 1
348 1 12 TYR QE 1 15 ILE MD 0.000 . 5.000 3.969 3.834 4.039 . 0 0 "[ . 1 . 2]" 1
349 1 12 TYR QD 1 15 ILE H 0.000 . 5.000 4.862 4.814 4.948 . 0 0 "[ . 1 . 2]" 1
350 1 13 ASP H 1 14 ALA H 0.000 . 3.500 2.507 2.299 2.601 . 0 0 "[ . 1 . 2]" 1
351 1 13 ASP HA 1 14 ALA H 0.000 . 3.500 3.403 3.380 3.444 . 0 0 "[ . 1 . 2]" 1
352 1 13 ASP QB 1 14 ALA H 0.000 . 3.100 3.148 3.110 3.179 0.079 4 0 "[ . 1 . 2]" 1
353 1 13 ASP H 1 14 ALA MB 0.000 . 5.000 3.976 3.767 4.151 . 0 0 "[ . 1 . 2]" 1
354 1 13 ASP H 1 15 ILE H 0.000 . 5.000 4.043 3.794 4.194 . 0 0 "[ . 1 . 2]" 1
355 1 13 ASP HA 1 15 ILE H 0.000 . 5.000 4.257 4.132 4.346 . 0 0 "[ . 1 . 2]" 1
356 1 13 ASP QB 1 15 ILE H 0.000 . 5.000 4.813 4.706 4.889 . 0 0 "[ . 1 . 2]" 1
357 1 13 ASP H 1 16 PHE H 0.000 . 5.000 4.528 4.417 4.615 . 0 0 "[ . 1 . 2]" 1
358 1 13 ASP HA 1 16 PHE H 0.000 . 5.000 3.286 3.236 3.342 . 0 0 "[ . 1 . 2]" 1
359 1 13 ASP HA 1 16 PHE HA 0.000 . 5.000 5.071 5.015 5.118 0.118 17 0 "[ . 1 . 2]" 1
360 1 13 ASP HA 1 16 PHE QB 0.000 . 3.100 2.105 2.072 2.135 . 0 0 "[ . 1 . 2]" 1
361 1 14 ALA H 1 15 ILE H 0.000 . 3.500 2.069 2.040 2.116 . 0 0 "[ . 1 . 2]" 1
362 1 14 ALA H 1 15 ILE HA 0.000 . 5.000 4.866 4.840 4.910 . 0 0 "[ . 1 . 2]" 1
363 1 14 ALA H 1 15 ILE HB 0.000 . 5.000 3.870 3.823 3.927 . 0 0 "[ . 1 . 2]" 1
364 1 14 ALA H 1 15 ILE QG 0.000 . 5.000 4.024 3.725 4.204 . 0 0 "[ . 1 . 2]" 1
365 1 14 ALA H 1 15 ILE MG 0.000 . 5.000 5.200 5.167 5.232 0.232 18 0 "[ . 1 . 2]" 1
366 1 14 ALA HA 1 15 ILE H 0.000 . 5.000 3.484 3.460 3.500 . 0 0 "[ . 1 . 2]" 1
367 1 14 ALA MB 1 15 ILE H 0.000 . 3.500 2.651 2.512 2.749 . 0 0 "[ . 1 . 2]" 1
368 1 14 ALA MB 1 15 ILE HA 0.000 . 5.000 3.880 3.802 3.942 . 0 0 "[ . 1 . 2]" 1
369 1 14 ALA MB 1 15 ILE QG 0.000 . 5.000 3.011 2.859 3.165 . 0 0 "[ . 1 . 2]" 1
370 1 14 ALA H 1 16 PHE H 0.000 . 5.000 3.370 3.278 3.482 . 0 0 "[ . 1 . 2]" 1
371 1 14 ALA HA 1 16 PHE H 0.000 . 5.000 4.268 4.141 4.427 . 0 0 "[ . 1 . 2]" 1
372 1 14 ALA H 1 16 PHE QB 0.000 . 5.000 4.091 4.001 4.185 . 0 0 "[ . 1 . 2]" 1
373 1 14 ALA MB 1 16 PHE H 0.000 . 5.000 4.327 4.230 4.421 . 0 0 "[ . 1 . 2]" 1
374 1 14 ALA H 1 17 ASP H 0.000 . 5.000 4.304 4.158 4.481 . 0 0 "[ . 1 . 2]" 1
375 1 14 ALA HA 1 17 ASP H 0.000 . 3.500 3.432 3.339 3.509 0.009 2 0 "[ . 1 . 2]" 1
376 1 14 ALA HA 1 17 ASP QB 0.000 . 2.700 2.718 2.562 2.802 0.102 19 0 "[ . 1 . 2]" 1
377 1 14 ALA MB 1 17 ASP H 0.000 . 5.000 4.577 4.497 4.653 . 0 0 "[ . 1 . 2]" 1
378 1 14 ALA MB 1 17 ASP QB 0.000 . 5.000 4.240 4.131 4.296 . 0 0 "[ . 1 . 2]" 1
379 1 14 ALA MB 1 18 SER H 0.000 . 5.000 5.028 4.890 5.097 0.097 7 0 "[ . 1 . 2]" 1
380 1 15 ILE H 1 16 PHE H 0.000 . 3.500 2.283 2.227 2.328 . 0 0 "[ . 1 . 2]" 1
381 1 15 ILE HA 1 16 PHE H 0.000 . 5.000 3.516 3.498 3.538 . 0 0 "[ . 1 . 2]" 1
382 1 15 ILE HB 1 16 PHE H 0.000 . 3.500 2.649 2.499 2.767 . 0 0 "[ . 1 . 2]" 1
383 1 15 ILE QG 1 16 PHE H 0.000 . 4.400 4.143 3.999 4.216 . 0 0 "[ . 1 . 2]" 1
384 1 15 ILE MG 1 16 PHE H 0.000 . 3.500 3.300 3.063 3.427 . 0 0 "[ . 1 . 2]" 1
385 1 15 ILE MG 1 16 PHE HA 0.000 . 3.500 3.385 3.183 3.518 0.018 16 0 "[ . 1 . 2]" 1
386 1 15 ILE H 1 16 PHE HA 0.000 . 5.000 5.016 4.982 5.046 0.046 7 0 "[ . 1 . 2]" 1
387 1 15 ILE H 1 17 ASP H 0.000 . 5.000 3.818 3.683 3.900 . 0 0 "[ . 1 . 2]" 1
388 1 15 ILE H 1 17 ASP QB 0.000 . 5.000 4.829 4.676 4.971 . 0 0 "[ . 1 . 2]" 1
389 1 15 ILE HA 1 17 ASP H 0.000 . 5.000 4.367 4.209 4.501 . 0 0 "[ . 1 . 2]" 1
390 1 15 ILE HB 1 17 ASP H 0.000 . 5.000 4.931 4.785 5.027 0.027 14 0 "[ . 1 . 2]" 1
391 1 15 ILE MG 1 17 ASP H 0.000 . 5.000 4.875 4.706 4.994 . 0 0 "[ . 1 . 2]" 1
392 1 15 ILE H 1 18 SER H 0.000 . 5.000 4.550 4.471 4.645 . 0 0 "[ . 1 . 2]" 1
393 1 15 ILE HA 1 18 SER H 0.000 . 3.500 3.359 3.187 3.497 . 0 0 "[ . 1 . 2]" 1
394 1 15 ILE MG 1 18 SER H 0.000 . 5.000 4.364 4.178 4.454 . 0 0 "[ . 1 . 2]" 1
395 1 15 ILE HA 1 18 SER HA 0.000 . 5.000 4.938 4.690 5.034 0.034 15 0 "[ . 1 . 2]" 1
396 1 15 ILE HA 1 19 LEU MD2 0.000 . 5.000 3.988 3.517 4.414 . 0 0 "[ . 1 . 2]" 1
397 1 15 ILE HA 1 19 LEU MD1 0.000 . 5.000 4.634 4.267 4.930 . 0 0 "[ . 1 . 2]" 1
398 1 15 ILE MG 1 19 LEU QD 0.000 . 2.700 2.693 2.543 2.792 0.092 3 0 "[ . 1 . 2]" 1
399 1 15 ILE HA 1 19 LEU H 0.000 . 5.000 4.992 4.817 5.070 0.070 1 0 "[ . 1 . 2]" 1
400 1 16 PHE H 1 17 ASP H 0.000 . 3.500 2.493 2.429 2.556 . 0 0 "[ . 1 . 2]" 1
401 1 16 PHE H 1 17 ASP QB 0.000 . 5.000 4.204 4.139 4.276 . 0 0 "[ . 1 . 2]" 1
402 1 16 PHE HA 1 17 ASP H 0.000 . 3.500 3.528 3.511 3.540 0.040 7 0 "[ . 1 . 2]" 1
403 1 16 PHE QB 1 17 ASP H 0.000 . 3.100 2.772 2.656 2.912 . 0 0 "[ . 1 . 2]" 1
404 1 16 PHE QD 1 17 ASP H 0.000 . 5.000 2.249 2.166 2.459 . 0 0 "[ . 1 . 2]" 1
405 1 16 PHE QE 1 17 ASP H 0.000 . 5.000 4.406 4.310 4.533 . 0 0 "[ . 1 . 2]" 1
406 1 16 PHE QE 1 17 ASP HA 0.000 . 5.000 3.543 3.430 3.869 . 0 0 "[ . 1 . 2]" 1
407 1 16 PHE QE 1 17 ASP QB 0.000 . 5.000 2.779 2.714 2.901 . 0 0 "[ . 1 . 2]" 1
408 1 16 PHE HZ 1 17 ASP QB 0.000 . 5.000 5.023 4.939 5.066 0.066 16 0 "[ . 1 . 2]" 1
409 1 16 PHE H 1 18 SER H 0.000 . 5.000 3.678 3.611 3.758 . 0 0 "[ . 1 . 2]" 1
410 1 16 PHE HA 1 18 SER H 0.000 . 5.000 3.853 3.710 4.047 . 0 0 "[ . 1 . 2]" 1
411 1 16 PHE QB 1 18 SER H 0.000 . 5.000 4.480 4.422 4.568 . 0 0 "[ . 1 . 2]" 1
412 1 16 PHE HA 1 19 LEU H 0.000 . 5.000 4.167 4.057 4.276 . 0 0 "[ . 1 . 2]" 1
413 1 16 PHE HA 1 19 LEU QB 0.000 . 4.400 4.246 3.956 4.405 0.005 17 0 "[ . 1 . 2]" 1
414 1 16 PHE HA 1 19 LEU HG 0.000 . 5.000 3.345 2.931 3.732 . 0 0 "[ . 1 . 2]" 1
415 1 16 PHE HA 1 19 LEU MD1 0.000 . 3.500 2.139 1.829 2.439 . 0 0 "[ . 1 . 2]" 1
416 1 16 PHE QE 1 21 PRO QB 0.000 . 4.400 2.648 2.331 2.756 . 0 0 "[ . 1 . 2]" 1
417 1 16 PHE HZ 1 21 PRO QB 0.000 . 4.400 2.245 2.189 2.394 . 0 0 "[ . 1 . 2]" 1
418 1 16 PHE QE 1 21 PRO QG 0.000 . 4.400 2.470 2.005 2.924 . 0 0 "[ . 1 . 2]" 1
419 1 16 PHE QE 1 21 PRO QD 0.000 . 4.400 4.012 3.790 4.283 . 0 0 "[ . 1 . 2]" 1
420 1 17 ASP H 1 18 SER H 0.000 . 3.500 2.436 2.332 2.526 . 0 0 "[ . 1 . 2]" 1
421 1 17 ASP H 1 18 SER HA 0.000 . 5.000 4.960 4.894 5.004 0.004 1 0 "[ . 1 . 2]" 1
422 1 17 ASP H 1 18 SER QB 0.000 . 5.000 3.931 3.825 4.029 . 0 0 "[ . 1 . 2]" 1
423 1 17 ASP HA 1 18 SER H 0.000 . 5.000 3.331 3.275 3.398 . 0 0 "[ . 1 . 2]" 1
424 1 17 ASP QB 1 18 SER H 0.000 . 3.500 3.333 3.205 3.440 . 0 0 "[ . 1 . 2]" 1
425 1 17 ASP QB 1 18 SER HA 0.000 . 5.000 4.509 4.356 4.569 . 0 0 "[ . 1 . 2]" 1
426 1 17 ASP H 1 19 LEU H 0.000 . 5.000 4.177 4.072 4.279 . 0 0 "[ . 1 . 2]" 1
427 1 17 ASP HA 1 19 LEU H 0.000 . 5.000 3.498 3.431 3.566 . 0 0 "[ . 1 . 2]" 1
428 1 17 ASP QB 1 19 LEU H 0.000 . 5.000 4.725 4.650 4.820 . 0 0 "[ . 1 . 2]" 1
429 1 17 ASP H 1 19 LEU HG 0.000 . 5.000 4.632 4.441 4.824 . 0 0 "[ . 1 . 2]" 1
430 1 17 ASP H 1 19 LEU QD 0.000 . 5.000 4.509 4.181 4.684 . 0 0 "[ . 1 . 2]" 1
431 1 17 ASP HA 1 20 SER H 0.000 . 5.000 3.211 3.052 3.323 . 0 0 "[ . 1 . 2]" 1
432 1 17 ASP QB 1 20 SER H 0.000 . 5.000 4.960 4.799 5.166 0.166 4 0 "[ . 1 . 2]" 1
433 1 17 ASP HA 1 20 SER HA 0.000 . 5.000 4.016 3.826 4.202 . 0 0 "[ . 1 . 2]" 1
434 1 17 ASP HA 1 21 PRO QB 0.000 . 4.400 3.449 3.103 3.753 . 0 0 "[ . 1 . 2]" 1
435 1 17 ASP HA 1 21 PRO QG 0.000 . 3.500 2.648 2.080 2.931 . 0 0 "[ . 1 . 2]" 1
436 1 17 ASP HA 1 21 PRO QD 0.000 . 3.100 1.859 1.819 1.937 . 0 0 "[ . 1 . 2]" 1
437 1 18 SER H 1 19 LEU H 0.000 . 3.500 2.303 2.218 2.388 . 0 0 "[ . 1 . 2]" 1
438 1 18 SER HA 1 19 LEU H 0.000 . 3.500 3.368 3.325 3.405 . 0 0 "[ . 1 . 2]" 1
439 1 18 SER QB 1 19 LEU H 0.000 . 5.000 3.192 3.063 3.416 . 0 0 "[ . 1 . 2]" 1
440 1 18 SER H 1 19 LEU QB 0.000 . 4.400 4.523 4.469 4.578 0.178 8 0 "[ . 1 . 2]" 1
441 1 18 SER H 1 19 LEU HG 0.000 . 5.000 2.919 2.761 3.150 . 0 0 "[ . 1 . 2]" 1
442 1 18 SER H 1 19 LEU QD 0.000 . 5.000 3.537 3.301 3.810 . 0 0 "[ . 1 . 2]" 1
443 1 18 SER HA 1 19 LEU MD2 0.000 . 5.000 4.627 4.119 5.047 0.047 4 0 "[ . 1 . 2]" 1
444 1 18 SER H 1 20 SER H 0.000 . 5.000 3.883 3.724 4.310 . 0 0 "[ . 1 . 2]" 1
445 1 18 SER HA 1 20 SER H 0.000 . 5.000 4.145 3.811 5.052 0.052 3 0 "[ . 1 . 2]" 1
446 1 19 LEU H 1 20 SER H 0.000 . 3.500 2.089 1.918 2.356 . 0 0 "[ . 1 . 2]" 1
447 1 19 LEU HA 1 20 SER H 0.000 . 3.500 3.410 3.345 3.541 0.041 4 0 "[ . 1 . 2]" 1
448 1 19 LEU QB 1 20 SER H 0.000 . 3.500 2.917 1.992 3.288 . 0 0 "[ . 1 . 2]" 1
449 1 19 LEU HG 1 20 SER H 0.000 . 3.500 3.666 3.589 3.790 0.290 18 0 "[ . 1 . 2]" 1
450 1 19 LEU QD 1 20 SER H 0.000 . 5.000 3.896 3.490 4.020 . 0 0 "[ . 1 . 2]" 1
451 1 19 LEU H 1 21 PRO QD 0.000 . 4.400 3.862 3.627 4.070 . 0 0 "[ . 1 . 2]" 1
452 1 20 SER H 1 21 PRO QD 0.000 . 2.700 2.594 2.354 2.733 0.033 11 0 "[ . 1 . 2]" 1
453 1 20 SER HA 1 21 PRO QD 0.000 . 2.400 1.902 1.836 1.977 . 0 0 "[ . 1 . 2]" 1
454 1 20 SER HA 1 21 PRO QG 0.000 . 4.400 3.816 3.758 3.890 . 0 0 "[ . 1 . 2]" 1
455 1 20 SER QB 1 21 PRO QD 0.000 . 3.500 3.559 3.419 3.715 0.215 15 0 "[ . 1 . 2]" 1
456 1 20 SER HA 1 22 VAL QG 0.000 . 5.000 5.019 4.814 5.081 0.081 15 0 "[ . 1 . 2]" 1
457 1 20 SER QB 1 22 VAL QG 0.000 . 5.000 3.948 3.504 4.540 . 0 0 "[ . 1 . 2]" 1
458 1 21 PRO HA 1 22 VAL H 0.000 . 2.700 2.282 2.257 2.324 . 0 0 "[ . 1 . 2]" 1
459 1 21 PRO HA 1 22 VAL QG 0.000 . 3.500 3.277 3.048 3.463 . 0 0 "[ . 1 . 2]" 1
460 1 21 PRO QB 1 22 VAL H 0.000 . 3.100 2.928 2.784 3.019 . 0 0 "[ . 1 . 2]" 1
461 1 21 PRO QG 1 22 VAL H 0.000 . 4.400 4.437 4.362 4.475 0.075 3 0 "[ . 1 . 2]" 1
462 1 21 PRO HA 1 25 PHE H 0.000 . 3.500 3.549 3.460 3.592 0.092 2 0 "[ . 1 . 2]" 1
463 1 21 PRO QB 1 25 PHE H 0.000 . 3.100 2.923 2.611 3.156 0.056 19 0 "[ . 1 . 2]" 1
464 1 21 PRO QG 1 25 PHE H 0.000 . 5.000 4.802 4.508 5.023 0.023 10 0 "[ . 1 . 2]" 1
465 1 21 PRO HA 1 26 LEU HA 0.000 . 3.500 3.276 3.087 3.498 . 0 0 "[ . 1 . 2]" 1
466 1 21 PRO HA 1 26 LEU HG 0.000 . 5.000 3.425 3.250 3.699 . 0 0 "[ . 1 . 2]" 1
467 1 21 PRO HA 1 26 LEU MD2 0.000 . 2.700 1.844 1.790 1.981 . 0 0 "[ . 1 . 2]" 1
468 1 21 PRO HA 1 26 LEU MD1 0.000 . 5.000 4.311 4.224 4.409 . 0 0 "[ . 1 . 2]" 1
469 1 21 PRO QB 1 26 LEU MD2 0.000 . 3.500 2.965 2.513 3.227 . 0 0 "[ . 1 . 2]" 1
470 1 21 PRO QB 1 26 LEU MD1 0.000 . 5.000 4.183 3.886 4.442 . 0 0 "[ . 1 . 2]" 1
471 1 21 PRO QG 1 26 LEU MD2 0.000 . 4.400 4.093 3.684 4.328 . 0 0 "[ . 1 . 2]" 1
472 1 21 PRO QD 1 26 LEU MD2 0.000 . 4.400 3.356 3.216 3.542 . 0 0 "[ . 1 . 2]" 1
473 1 22 VAL QG 1 23 ASN HA 0.000 . 5.000 4.363 4.249 4.502 . 0 0 "[ . 1 . 2]" 1
474 1 22 VAL QG 1 23 ASN QB 0.000 . 2.700 2.694 2.551 2.741 0.041 9 0 "[ . 1 . 2]" 1
475 1 22 VAL H 1 24 GLY H 0.000 . 5.000 3.225 2.998 3.459 . 0 0 "[ . 1 . 2]" 1
476 1 22 VAL H 1 24 GLY QA 0.000 . 4.400 4.341 4.228 4.420 0.020 17 0 "[ . 1 . 2]" 1
477 1 22 VAL HA 1 24 GLY H 0.000 . 5.000 3.685 3.571 3.770 . 0 0 "[ . 1 . 2]" 1
478 1 22 VAL QG 1 24 GLY H 0.000 . 5.000 4.178 4.096 4.342 . 0 0 "[ . 1 . 2]" 1
479 1 22 VAL H 1 25 PHE H 0.000 . 3.500 2.061 1.899 2.200 . 0 0 "[ . 1 . 2]" 1
480 1 22 VAL H 1 25 PHE HA 0.000 . 5.000 4.282 4.083 4.410 . 0 0 "[ . 1 . 2]" 1
481 1 22 VAL H 1 25 PHE QB 0.000 . 5.000 3.274 3.125 3.393 . 0 0 "[ . 1 . 2]" 1
482 1 22 VAL HA 1 25 PHE H 0.000 . 5.000 4.219 4.133 4.288 . 0 0 "[ . 1 . 2]" 1
483 1 22 VAL HB 1 25 PHE H 0.000 . 5.000 3.678 3.380 3.950 . 0 0 "[ . 1 . 2]" 1
484 1 22 VAL QG 1 25 PHE H 0.000 . 5.000 3.951 3.771 4.113 . 0 0 "[ . 1 . 2]" 1
485 1 22 VAL H 1 25 PHE QD 0.000 . 5.000 4.577 4.455 4.743 . 0 0 "[ . 1 . 2]" 1
486 1 22 VAL HA 1 25 PHE QB 0.000 . 5.000 4.977 4.773 5.057 0.057 17 0 "[ . 1 . 2]" 1
487 1 22 VAL H 1 26 LEU MD2 0.000 . 3.500 3.365 3.177 3.510 0.010 12 0 "[ . 1 . 2]" 1
488 1 22 VAL H 1 26 LEU H 0.000 . 5.000 4.770 4.582 4.956 . 0 0 "[ . 1 . 2]" 1
489 1 22 VAL QG 1 26 LEU QD 0.000 . 5.000 3.563 3.197 3.769 . 0 0 "[ . 1 . 2]" 1
490 1 23 ASN HA 1 24 GLY H 0.000 . 3.500 3.134 3.070 3.221 . 0 0 "[ . 1 . 2]" 1
491 1 23 ASN QB 1 24 GLY H 0.000 . 4.400 3.642 3.482 3.958 . 0 0 "[ . 1 . 2]" 1
492 1 23 ASN HA 1 25 PHE H 0.000 . 5.000 5.012 4.917 5.075 0.075 1 0 "[ . 1 . 2]" 1
493 1 23 ASN QB 1 25 PHE H 0.000 . 5.000 4.240 4.013 4.966 . 0 0 "[ . 1 . 2]" 1
494 1 23 ASN QB 1 25 PHE QD 0.000 . 4.400 2.615 2.057 3.700 . 0 0 "[ . 1 . 2]" 1
495 1 23 ASN QB 1 25 PHE QE 0.000 . 5.000 3.874 3.247 4.465 . 0 0 "[ . 1 . 2]" 1
496 1 23 ASN QD 1 25 PHE H 0.000 . 5.000 4.920 4.119 5.049 0.049 8 0 "[ . 1 . 2]" 1
497 1 23 ASN QD 1 25 PHE QE 0.000 . 5.000 2.067 1.811 3.483 . 0 0 "[ . 1 . 2]" 1
498 1 24 GLY H 1 25 PHE H 0.000 . 3.500 2.227 2.032 2.398 . 0 0 "[ . 1 . 2]" 1
499 1 24 GLY QA 1 25 PHE H 0.000 . 3.100 2.784 2.740 2.837 . 0 0 "[ . 1 . 2]" 1
500 1 24 GLY H 1 25 PHE QD 0.000 . 5.000 3.782 3.611 4.392 . 0 0 "[ . 1 . 2]" 1
501 1 25 PHE H 1 26 LEU H 0.000 . 5.000 4.380 4.338 4.412 . 0 0 "[ . 1 . 2]" 1
502 1 25 PHE H 1 26 LEU QD 0.000 . 5.000 4.265 4.097 4.407 . 0 0 "[ . 1 . 2]" 1
503 1 25 PHE HA 1 26 LEU H 0.000 . 2.700 2.238 2.200 2.300 . 0 0 "[ . 1 . 2]" 1
504 1 25 PHE QB 1 26 LEU H 0.000 . 3.500 2.885 2.722 3.024 . 0 0 "[ . 1 . 2]" 1
505 1 25 PHE QD 1 26 LEU H 0.000 . 3.500 3.600 3.574 3.642 0.142 20 0 "[ . 1 . 2]" 1
506 1 26 LEU H 1 27 SER H 0.000 . 5.000 4.445 4.399 4.503 . 0 0 "[ . 1 . 2]" 1
507 1 26 LEU QB 1 27 SER H 0.000 . 3.100 3.090 2.686 3.197 0.097 17 0 "[ . 1 . 2]" 1
508 1 26 LEU HG 1 27 SER H 0.000 . 5.000 5.043 4.893 5.093 0.093 2 0 "[ . 1 . 2]" 1
509 1 26 LEU QD 1 27 SER H 0.000 . 3.500 3.033 2.851 3.212 . 0 0 "[ . 1 . 2]" 1
510 1 26 LEU MD1 1 30 LYS H 0.000 . 5.000 5.199 5.146 5.245 0.245 14 0 "[ . 1 . 2]" 1
511 1 26 LEU HA 1 30 LYS QD 0.000 . 4.400 2.851 2.430 3.708 . 0 0 "[ . 1 . 2]" 1
512 1 26 LEU MD2 1 30 LYS HA 0.000 . 5.000 4.971 4.765 5.052 0.052 6 0 "[ . 1 . 2]" 1
513 1 26 LEU MD2 1 30 LYS QB 0.000 . 4.400 2.499 2.329 2.612 . 0 0 "[ . 1 . 2]" 1
514 1 26 LEU MD2 1 30 LYS QG 0.000 . 4.400 3.583 3.331 3.722 . 0 0 "[ . 1 . 2]" 1
515 1 26 LEU MD2 1 30 LYS QD 0.000 . 3.100 1.928 1.772 2.095 . 0 0 "[ . 1 . 2]" 1
516 1 26 LEU MD2 1 30 LYS QE 0.000 . 5.000 3.477 2.709 3.790 . 0 0 "[ . 1 . 2]" 1
517 1 26 LEU HA 1 31 VAL MG2 0.000 . 5.000 4.278 4.132 4.451 . 0 0 "[ . 1 . 2]" 1
518 1 26 LEU QB 1 31 VAL MG2 0.000 . 3.500 2.081 1.953 2.231 . 0 0 "[ . 1 . 2]" 1
519 1 26 LEU MD1 1 31 VAL H 0.000 . 5.000 4.287 4.185 4.482 . 0 0 "[ . 1 . 2]" 1
520 1 26 LEU MD1 1 31 VAL HA 0.000 . 5.000 3.844 3.708 3.992 . 0 0 "[ . 1 . 2]" 1
521 1 26 LEU MD1 1 31 VAL MG2 0.000 . 2.700 2.425 2.188 2.565 . 0 0 "[ . 1 . 2]" 1
522 1 27 SER H 1 28 GLY H 0.000 . 5.000 4.607 4.551 4.637 . 0 0 "[ . 1 . 2]" 1
523 1 27 SER HA 1 28 GLY H 0.000 . 2.700 2.246 2.220 2.267 . 0 0 "[ . 1 . 2]" 1
524 1 27 SER QB 1 28 GLY H 0.000 . 3.100 3.056 2.949 3.133 0.033 6 0 "[ . 1 . 2]" 1
525 1 27 SER H 1 29 ASP H 0.000 . 5.000 4.625 4.536 4.745 . 0 0 "[ . 1 . 2]" 1
526 1 27 SER HA 1 29 ASP H 0.000 . 5.000 3.811 3.751 3.866 . 0 0 "[ . 1 . 2]" 1
527 1 27 SER QB 1 29 ASP H 0.000 . 3.500 2.703 2.217 3.179 . 0 0 "[ . 1 . 2]" 1
528 1 27 SER H 1 30 LYS H 0.000 . 5.000 3.600 3.329 3.745 . 0 0 "[ . 1 . 2]" 1
529 1 27 SER HA 1 30 LYS H 0.000 . 5.000 4.449 4.348 4.510 . 0 0 "[ . 1 . 2]" 1
530 1 27 SER QB 1 30 LYS H 0.000 . 5.000 3.750 2.908 4.052 . 0 0 "[ . 1 . 2]" 1
531 1 27 SER H 1 31 VAL H 0.000 . 5.000 4.536 4.089 4.699 . 0 0 "[ . 1 . 2]" 1
532 1 27 SER HA 1 31 VAL H 0.000 . 5.000 5.146 5.109 5.198 0.198 12 0 "[ . 1 . 2]" 1
533 1 28 GLY H 1 29 ASP H 0.000 . 3.500 2.843 2.777 2.877 . 0 0 "[ . 1 . 2]" 1
534 1 28 GLY H 1 29 ASP QB 0.000 . 5.000 4.541 4.398 4.853 . 0 0 "[ . 1 . 2]" 1
535 1 28 GLY QA 1 29 ASP H 0.000 . 3.500 2.826 2.802 2.841 . 0 0 "[ . 1 . 2]" 1
536 1 28 GLY H 1 30 LYS H 0.000 . 5.000 4.301 4.249 4.345 . 0 0 "[ . 1 . 2]" 1
537 1 28 GLY H 1 31 VAL H 0.000 . 5.000 4.680 4.622 4.746 . 0 0 "[ . 1 . 2]" 1
538 1 28 GLY QA 1 31 VAL H 0.000 . 3.500 3.007 2.877 3.168 . 0 0 "[ . 1 . 2]" 1
539 1 28 GLY H 1 31 VAL HB 0.000 . 5.000 4.636 4.487 4.759 . 0 0 "[ . 1 . 2]" 1
540 1 28 GLY H 1 31 VAL QG 0.000 . 5.000 4.189 4.043 4.365 . 0 0 "[ . 1 . 2]" 1
541 1 28 GLY QA 1 31 VAL HB 0.000 . 4.400 2.123 1.974 2.301 . 0 0 "[ . 1 . 2]" 1
542 1 28 GLY QA 1 31 VAL QG 0.000 . 5.000 2.876 2.762 3.045 . 0 0 "[ . 1 . 2]" 1
543 1 28 GLY QA 1 31 VAL MG2 0.000 . 5.000 3.059 2.894 3.272 . 0 0 "[ . 1 . 2]" 1
544 1 28 GLY QA 1 31 VAL MG1 0.000 . 5.000 3.504 3.334 3.626 . 0 0 "[ . 1 . 2]" 1
545 1 29 ASP H 1 30 LYS H 0.000 . 2.700 2.644 2.566 2.694 . 0 0 "[ . 1 . 2]" 1
546 1 29 ASP H 1 30 LYS QG 0.000 . 4.400 4.276 3.932 4.447 0.047 20 0 "[ . 1 . 2]" 1
547 1 29 ASP HA 1 30 LYS H 0.000 . 3.500 3.520 3.494 3.542 0.042 13 0 "[ . 1 . 2]" 1
548 1 29 ASP QB 1 30 LYS H 0.000 . 4.400 2.837 2.750 2.925 . 0 0 "[ . 1 . 2]" 1
549 1 29 ASP QB 1 31 VAL H 0.000 . 5.000 4.670 4.599 4.771 . 0 0 "[ . 1 . 2]" 1
550 1 29 ASP H 1 31 VAL H 0.000 . 5.000 3.986 3.941 4.040 . 0 0 "[ . 1 . 2]" 1
551 1 29 ASP H 1 31 VAL HB 0.000 . 5.000 4.993 4.846 5.030 0.030 20 0 "[ . 1 . 2]" 1
552 1 29 ASP H 1 31 VAL QG 0.000 . 5.000 4.762 4.650 4.824 . 0 0 "[ . 1 . 2]" 1
553 1 29 ASP H 1 32 LYS H 0.000 . 5.000 4.468 4.390 4.573 . 0 0 "[ . 1 . 2]" 1
554 1 29 ASP HA 1 32 LYS H 0.000 . 5.000 3.991 3.764 4.304 . 0 0 "[ . 1 . 2]" 1
555 1 29 ASP HA 1 32 LYS QB 0.000 . 4.400 2.831 2.538 3.270 . 0 0 "[ . 1 . 2]" 1
556 1 29 ASP HA 1 32 LYS QD 0.000 . 4.400 3.430 2.271 4.235 . 0 0 "[ . 1 . 2]" 1
557 1 29 ASP HA 1 33 PRO QD 0.000 . 3.500 3.318 3.047 3.540 0.040 18 0 "[ . 1 . 2]" 1
558 1 30 LYS H 1 31 VAL H 0.000 . 2.700 2.118 2.049 2.247 . 0 0 "[ . 1 . 2]" 1
559 1 30 LYS HA 1 31 VAL H 0.000 . 3.500 3.521 3.507 3.530 0.030 17 0 "[ . 1 . 2]" 1
560 1 30 LYS QB 1 31 VAL H 0.000 . 3.100 2.582 2.504 2.707 . 0 0 "[ . 1 . 2]" 1
561 1 30 LYS QB 1 31 VAL MG2 0.000 . 4.400 2.838 2.666 2.990 . 0 0 "[ . 1 . 2]" 1
562 1 30 LYS QG 1 31 VAL H 0.000 . 4.400 4.044 3.829 4.153 . 0 0 "[ . 1 . 2]" 1
563 1 30 LYS QD 1 31 VAL H 0.000 . 5.000 4.734 4.447 4.987 . 0 0 "[ . 1 . 2]" 1
564 1 30 LYS H 1 31 VAL HA 0.000 . 5.000 4.896 4.826 5.013 0.013 13 0 "[ . 1 . 2]" 1
565 1 30 LYS H 1 31 VAL QG 0.000 . 3.500 3.550 3.491 3.605 0.105 10 0 "[ . 1 . 2]" 1
566 1 30 LYS H 1 32 LYS H 0.000 . 5.000 3.742 3.561 3.884 . 0 0 "[ . 1 . 2]" 1
567 1 30 LYS HA 1 33 PRO QD 0.000 . 4.400 3.196 3.057 3.298 . 0 0 "[ . 1 . 2]" 1
568 1 30 LYS QG 1 33 PRO QG 0.000 . 4.400 4.374 4.232 4.435 0.035 20 0 "[ . 1 . 2]" 1
569 1 31 VAL H 1 32 LYS H 0.000 . 2.700 2.521 2.436 2.602 . 0 0 "[ . 1 . 2]" 1
570 1 31 VAL HA 1 32 LYS H 0.000 . 5.000 3.571 3.542 3.593 . 0 0 "[ . 1 . 2]" 1
571 1 31 VAL HB 1 32 LYS H 0.000 . 2.700 2.390 2.234 2.545 . 0 0 "[ . 1 . 2]" 1
572 1 31 VAL QG 1 32 LYS H 0.000 . 3.500 3.107 3.017 3.191 . 0 0 "[ . 1 . 2]" 1
573 1 31 VAL MG1 1 32 LYS HA 0.000 . 3.500 3.545 3.353 3.605 0.105 18 0 "[ . 1 . 2]" 1
574 1 31 VAL HA 1 33 PRO QD 0.000 . 4.400 3.616 3.438 3.736 . 0 0 "[ . 1 . 2]" 1
575 1 31 VAL HA 1 34 VAL H 0.000 . 5.000 3.166 3.106 3.227 . 0 0 "[ . 1 . 2]" 1
576 1 31 VAL HA 1 34 VAL HB 0.000 . 3.500 1.871 1.801 1.941 . 0 0 "[ . 1 . 2]" 1
577 1 31 VAL HA 1 34 VAL MG2 0.000 . 2.700 2.687 2.403 2.770 0.070 3 0 "[ . 1 . 2]" 1
578 1 31 VAL HA 1 34 VAL MG1 0.000 . 3.500 2.940 2.863 3.011 . 0 0 "[ . 1 . 2]" 1
579 1 31 VAL HB 1 34 VAL MG1 0.000 . 5.000 5.064 5.029 5.109 0.109 8 0 "[ . 1 . 2]" 1
580 1 31 VAL MG1 1 34 VAL HB 0.000 . 3.500 3.072 2.798 3.252 . 0 0 "[ . 1 . 2]" 1
581 1 31 VAL HB 1 35 LEU MD1 0.000 . 5.000 3.520 3.337 3.687 . 0 0 "[ . 1 . 2]" 1
582 1 31 VAL MG1 1 35 LEU HG 0.000 . 2.700 2.070 1.852 2.360 . 0 0 "[ . 1 . 2]" 1
583 1 31 VAL MG1 1 35 LEU MD1 0.000 . 2.700 1.765 1.622 1.891 . 0 0 "[ . 1 . 2]" 1
584 1 31 VAL MG1 1 35 LEU MD2 0.000 . 2.700 2.499 2.178 2.678 . 0 0 "[ . 1 . 2]" 1
585 1 32 LYS H 1 33 PRO QD 0.000 . 2.700 2.306 2.255 2.378 . 0 0 "[ . 1 . 2]" 1
586 1 32 LYS HA 1 33 PRO QD 0.000 . 4.400 3.501 3.471 3.526 . 0 0 "[ . 1 . 2]" 1
587 1 32 LYS H 1 33 PRO QG 0.000 . 4.400 4.215 4.159 4.277 . 0 0 "[ . 1 . 2]" 1
588 1 32 LYS QB 1 33 PRO QD 0.000 . 2.400 1.775 1.746 1.888 . 0 0 "[ . 1 . 2]" 1
589 1 32 LYS H 1 34 VAL H 0.000 . 5.000 4.108 4.049 4.176 . 0 0 "[ . 1 . 2]" 1
590 1 32 LYS HA 1 35 LEU H 0.000 . 5.000 3.681 3.531 3.824 . 0 0 "[ . 1 . 2]" 1
591 1 32 LYS H 1 35 LEU H 0.000 . 5.000 4.769 4.618 4.934 . 0 0 "[ . 1 . 2]" 1
592 1 32 LYS HA 1 35 LEU QB 0.000 . 3.500 3.234 2.884 3.493 . 0 0 "[ . 1 . 2]" 1
593 1 32 LYS HA 1 35 LEU HG 0.000 . 5.000 3.719 3.405 3.921 . 0 0 "[ . 1 . 2]" 1
594 1 32 LYS HA 1 35 LEU MD1 0.000 . 2.700 2.744 2.714 2.788 0.088 18 0 "[ . 1 . 2]" 1
595 1 32 LYS HA 1 36 LEU MD1 0.000 . 5.000 3.552 2.844 3.858 . 0 0 "[ . 1 . 2]" 1
596 1 32 LYS QB 1 36 LEU MD1 0.000 . 5.000 3.359 2.215 3.650 . 0 0 "[ . 1 . 2]" 1
597 1 32 LYS QG 1 36 LEU MD1 0.000 . 3.500 1.882 1.674 2.831 . 0 0 "[ . 1 . 2]" 1
598 1 32 LYS QD 1 36 LEU MD1 0.000 . 4.400 2.964 1.874 3.981 . 0 0 "[ . 1 . 2]" 1
599 1 32 LYS QE 1 36 LEU MD1 0.000 . 4.400 2.719 2.021 4.136 . 0 0 "[ . 1 . 2]" 1
600 1 33 PRO HA 1 34 VAL H 0.000 . 5.000 3.529 3.513 3.545 . 0 0 "[ . 1 . 2]" 1
601 1 33 PRO HA 1 34 VAL HA 0.000 . 5.000 4.878 4.850 4.900 . 0 0 "[ . 1 . 2]" 1
602 1 33 PRO QB 1 34 VAL H 0.000 . 3.100 3.140 3.107 3.174 0.074 18 0 "[ . 1 . 2]" 1
603 1 33 PRO QB 1 34 VAL MG2 0.000 . 4.400 3.863 3.740 3.977 . 0 0 "[ . 1 . 2]" 1
604 1 33 PRO QG 1 34 VAL H 0.000 . 3.500 2.275 2.214 2.327 . 0 0 "[ . 1 . 2]" 1
605 1 33 PRO QG 1 34 VAL MG2 0.000 . 4.400 3.030 2.818 3.214 . 0 0 "[ . 1 . 2]" 1
606 1 33 PRO QD 1 34 VAL H 0.000 . 3.500 2.620 2.516 2.696 . 0 0 "[ . 1 . 2]" 1
607 1 33 PRO QD 1 34 VAL MG2 0.000 . 4.400 4.005 3.753 4.170 . 0 0 "[ . 1 . 2]" 1
608 1 33 PRO QD 1 35 LEU H 0.000 . 5.000 4.240 4.150 4.325 . 0 0 "[ . 1 . 2]" 1
609 1 33 PRO HA 1 36 LEU H 0.000 . 3.500 3.165 3.018 3.306 . 0 0 "[ . 1 . 2]" 1
610 1 33 PRO HA 1 36 LEU QB 0.000 . 2.700 2.209 1.905 2.603 . 0 0 "[ . 1 . 2]" 1
611 1 33 PRO HA 1 36 LEU HG 0.000 . 5.000 3.656 3.433 3.901 . 0 0 "[ . 1 . 2]" 1
612 1 33 PRO HA 1 36 LEU MD1 0.000 . 2.700 2.060 1.902 2.219 . 0 0 "[ . 1 . 2]" 1
613 1 33 PRO QB 1 36 LEU MD1 0.000 . 5.000 3.400 3.214 3.511 . 0 0 "[ . 1 . 2]" 1
614 1 33 PRO QG 1 36 LEU MD1 0.000 . 4.400 4.428 4.334 4.460 0.060 19 0 "[ . 1 . 2]" 1
615 1 33 PRO HA 1 37 ASN H 0.000 . 5.000 4.352 4.030 4.613 . 0 0 "[ . 1 . 2]" 1
616 1 34 VAL H 1 35 LEU H 0.000 . 2.700 2.644 2.572 2.707 0.007 5 0 "[ . 1 . 2]" 1
617 1 34 VAL HA 1 35 LEU H 0.000 . 5.000 3.535 3.504 3.556 . 0 0 "[ . 1 . 2]" 1
618 1 34 VAL HB 1 35 LEU H 0.000 . 3.500 2.869 2.760 3.024 . 0 0 "[ . 1 . 2]" 1
619 1 34 VAL MG1 1 35 LEU H 0.000 . 3.500 3.113 2.888 3.346 . 0 0 "[ . 1 . 2]" 1
620 1 34 VAL MG2 1 35 LEU H 0.000 . 5.000 4.132 4.074 4.213 . 0 0 "[ . 1 . 2]" 1
621 1 34 VAL H 1 35 LEU QB 0.000 . 5.000 4.750 4.550 4.865 . 0 0 "[ . 1 . 2]" 1
622 1 34 VAL H 1 35 LEU HG 0.000 . 5.000 3.830 3.674 3.939 . 0 0 "[ . 1 . 2]" 1
623 1 34 VAL H 1 35 LEU MD1 0.000 . 5.000 4.865 4.743 4.967 . 0 0 "[ . 1 . 2]" 1
624 1 34 VAL H 1 35 LEU MD2 0.000 . 5.000 4.893 4.625 5.046 0.046 7 0 "[ . 1 . 2]" 1
625 1 34 VAL MG1 1 35 LEU HA 0.000 . 5.000 3.227 3.073 3.358 . 0 0 "[ . 1 . 2]" 1
626 1 34 VAL MG1 1 35 LEU MD2 0.000 . 3.500 2.233 1.816 2.403 . 0 0 "[ . 1 . 2]" 1
627 1 34 VAL H 1 36 LEU H 0.000 . 5.000 3.961 3.839 4.144 . 0 0 "[ . 1 . 2]" 1
628 1 34 VAL MG1 1 36 LEU H 0.000 . 5.000 4.745 4.552 4.971 . 0 0 "[ . 1 . 2]" 1
629 1 34 VAL H 1 37 ASN H 0.000 . 5.000 4.983 4.805 5.091 0.091 6 0 "[ . 1 . 2]" 1
630 1 34 VAL HA 1 37 ASN H 0.000 . 5.000 3.900 3.766 4.105 . 0 0 "[ . 1 . 2]" 1
631 1 34 VAL MG1 1 37 ASN H 0.000 . 5.000 4.745 4.573 4.943 . 0 0 "[ . 1 . 2]" 1
632 1 34 VAL HA 1 37 ASN QB 0.000 . 3.500 3.090 2.890 3.508 0.008 6 0 "[ . 1 . 2]" 1
633 1 34 VAL QG 1 37 ASN QB 0.000 . 4.400 3.910 3.744 4.347 . 0 0 "[ . 1 . 2]" 1
634 1 34 VAL HA 1 37 ASN QD 0.000 . 4.400 3.566 2.500 4.132 . 0 0 "[ . 1 . 2]" 1
635 1 34 VAL QG 1 37 ASN QD 0.000 . 4.400 4.041 3.088 4.416 0.016 3 0 "[ . 1 . 2]" 1
636 1 35 LEU H 1 36 LEU H 0.000 . 2.700 2.299 2.194 2.361 . 0 0 "[ . 1 . 2]" 1
637 1 35 LEU HA 1 36 LEU H 0.000 . 5.000 3.508 3.469 3.554 . 0 0 "[ . 1 . 2]" 1
638 1 35 LEU QB 1 36 LEU H 0.000 . 3.500 2.762 2.565 2.874 . 0 0 "[ . 1 . 2]" 1
639 1 35 LEU QB 1 36 LEU QD 0.000 . 5.000 3.695 3.409 3.825 . 0 0 "[ . 1 . 2]" 1
640 1 35 LEU QB 1 36 LEU MD1 0.000 . 5.000 4.236 3.917 4.429 . 0 0 "[ . 1 . 2]" 1
641 1 35 LEU HG 1 36 LEU H 0.000 . 5.000 3.977 3.876 4.205 . 0 0 "[ . 1 . 2]" 1
642 1 35 LEU MD1 1 36 LEU H 0.000 . 5.000 4.554 4.363 4.727 . 0 0 "[ . 1 . 2]" 1
643 1 35 LEU MD2 1 36 LEU H 0.000 . 5.000 4.532 4.442 4.575 . 0 0 "[ . 1 . 2]" 1
644 1 35 LEU H 1 36 LEU HA 0.000 . 5.000 5.012 4.930 5.056 0.056 15 0 "[ . 1 . 2]" 1
645 1 35 LEU HA 1 37 ASN H 0.000 . 5.000 3.685 3.612 3.779 . 0 0 "[ . 1 . 2]" 1
646 1 35 LEU MD2 1 37 ASN H 0.000 . 5.000 5.057 5.027 5.093 0.093 18 0 "[ . 1 . 2]" 1
647 1 35 LEU QB 1 38 SER H 0.000 . 5.000 4.725 4.605 4.842 . 0 0 "[ . 1 . 2]" 1
648 1 36 LEU H 1 37 ASN H 0.000 . 2.700 2.466 2.406 2.510 . 0 0 "[ . 1 . 2]" 1
649 1 36 LEU H 1 37 ASN HA 0.000 . 5.000 5.076 5.039 5.104 0.104 20 0 "[ . 1 . 2]" 1
650 1 36 LEU H 1 37 ASN QB 0.000 . 4.400 4.071 3.932 4.385 . 0 0 "[ . 1 . 2]" 1
651 1 36 LEU HA 1 37 ASN H 0.000 . 3.500 3.420 3.391 3.445 . 0 0 "[ . 1 . 2]" 1
652 1 36 LEU QB 1 37 ASN H 0.000 . 3.100 3.022 2.936 3.108 0.008 10 0 "[ . 1 . 2]" 1
653 1 36 LEU HG 1 37 ASN H 0.000 . 5.000 4.443 4.142 4.565 . 0 0 "[ . 1 . 2]" 1
654 1 36 LEU MD1 1 37 ASN H 0.000 . 5.000 4.729 4.394 4.842 . 0 0 "[ . 1 . 2]" 1
655 1 36 LEU MD2 1 37 ASN H 0.000 . 5.000 4.814 4.714 4.906 . 0 0 "[ . 1 . 2]" 1
656 1 36 LEU HA 1 37 ASN HA 0.000 . 5.000 4.722 4.677 4.789 . 0 0 "[ . 1 . 2]" 1
657 1 36 LEU QD 1 37 ASN HA 0.000 . 5.000 5.139 5.083 5.192 0.192 17 0 "[ . 1 . 2]" 1
658 1 36 LEU H 1 38 SER H 0.000 . 5.000 4.120 4.010 4.233 . 0 0 "[ . 1 . 2]" 1
659 1 37 ASN H 1 38 SER H 0.000 . 3.500 2.426 2.341 2.537 . 0 0 "[ . 1 . 2]" 1
660 1 37 ASN HA 1 38 SER H 0.000 . 3.500 3.377 3.314 3.423 . 0 0 "[ . 1 . 2]" 1
661 1 37 ASN QB 1 38 SER H 0.000 . 4.400 3.240 3.073 3.792 . 0 0 "[ . 1 . 2]" 1
662 1 37 ASN H 1 39 LYS H 0.000 . 5.000 4.351 4.233 4.513 . 0 0 "[ . 1 . 2]" 1
663 1 37 ASN HA 1 39 LYS H 0.000 . 5.000 3.309 3.251 3.388 . 0 0 "[ . 1 . 2]" 1
664 1 38 SER H 1 39 LYS H 0.000 . 3.500 2.667 2.595 2.745 . 0 0 "[ . 1 . 2]" 1
665 1 38 SER HA 1 39 LYS H 0.000 . 3.500 3.232 3.160 3.293 . 0 0 "[ . 1 . 2]" 1
666 1 38 SER QB 1 39 LYS H 0.000 . 5.000 3.744 3.418 3.965 . 0 0 "[ . 1 . 2]" 1
667 1 38 SER HA 1 40 LEU HG 0.000 . 5.000 4.905 4.760 5.019 0.019 15 0 "[ . 1 . 2]" 1
668 1 38 SER HA 1 40 LEU MD1 0.000 . 5.000 4.807 4.675 5.019 0.019 12 0 "[ . 1 . 2]" 1
669 1 38 SER QB 1 40 LEU MD1 0.000 . 4.400 2.712 2.216 3.227 . 0 0 "[ . 1 . 2]" 1
670 1 39 LYS H 1 40 LEU H 0.000 . 2.700 2.649 2.582 2.711 0.011 14 0 "[ . 1 . 2]" 1
671 1 39 LYS HA 1 40 LEU H 0.000 . 3.500 3.181 3.105 3.250 . 0 0 "[ . 1 . 2]" 1
672 1 39 LYS QB 1 40 LEU H 0.000 . 4.400 3.539 3.447 3.625 . 0 0 "[ . 1 . 2]" 1
673 1 40 LEU H 1 41 PRO QD 0.000 . 4.400 4.391 4.377 4.410 0.010 3 0 "[ . 1 . 2]" 1
674 1 40 LEU HA 1 41 PRO QG 0.000 . 5.000 3.944 3.913 3.989 . 0 0 "[ . 1 . 2]" 1
675 1 40 LEU HA 1 41 PRO QD 0.000 . 2.400 2.008 1.965 2.056 . 0 0 "[ . 1 . 2]" 1
676 1 40 LEU QB 1 41 PRO QD 0.000 . 3.900 2.366 2.252 2.531 . 0 0 "[ . 1 . 2]" 1
677 1 40 LEU HG 1 41 PRO QD 0.000 . 4.400 3.887 3.816 3.986 . 0 0 "[ . 1 . 2]" 1
678 1 40 LEU MD2 1 41 PRO QD 0.000 . 2.400 1.719 1.704 1.736 . 0 0 "[ . 1 . 2]" 1
679 1 40 LEU MD1 1 41 PRO QD 0.000 . 5.000 3.677 3.575 3.812 . 0 0 "[ . 1 . 2]" 1
680 1 40 LEU MD2 1 41 PRO HA 0.000 . 5.000 5.032 5.010 5.053 0.053 2 0 "[ . 1 . 2]" 1
681 1 40 LEU MD2 1 41 PRO QB 0.000 . 4.400 4.555 4.512 4.574 0.174 19 0 "[ . 1 . 2]" 1
682 1 40 LEU MD2 1 41 PRO QG 0.000 . 5.000 3.367 3.317 3.390 . 0 0 "[ . 1 . 2]" 1
683 1 40 LEU HA 1 44 ILE MG 0.000 . 5.000 4.763 4.631 4.921 . 0 0 "[ . 1 . 2]" 1
684 1 40 LEU HA 1 44 ILE MD 0.000 . 5.000 5.106 5.070 5.170 0.170 17 0 "[ . 1 . 2]" 1
685 1 40 LEU MD1 1 44 ILE MG 0.000 . 2.700 1.773 1.686 2.101 . 0 0 "[ . 1 . 2]" 1
686 1 40 LEU MD2 1 44 ILE MG 0.000 . 3.500 2.162 1.835 2.489 . 0 0 "[ . 1 . 2]" 1
687 1 40 LEU MD1 1 44 ILE MD 0.000 . 5.000 3.860 3.610 4.135 . 0 0 "[ . 1 . 2]" 1
688 1 40 LEU MD2 1 44 ILE MD 0.000 . 3.500 3.076 3.008 3.228 . 0 0 "[ . 1 . 2]" 1
689 1 40 LEU HA 1 45 LEU QD 0.000 . 5.000 4.313 4.127 4.496 . 0 0 "[ . 1 . 2]" 1
690 1 40 LEU QB 1 45 LEU QD 0.000 . 3.100 2.176 1.964 2.349 . 0 0 "[ . 1 . 2]" 1
691 1 41 PRO HA 1 42 VAL H 0.000 . 2.700 2.519 2.460 2.622 . 0 0 "[ . 1 . 2]" 1
692 1 41 PRO QB 1 42 VAL H 0.000 . 3.100 2.489 2.304 2.636 . 0 0 "[ . 1 . 2]" 1
693 1 41 PRO QG 1 42 VAL H 0.000 . 5.000 4.113 3.949 4.224 . 0 0 "[ . 1 . 2]" 1
694 1 41 PRO HA 1 42 VAL QG 0.000 . 4.400 3.990 3.802 4.320 . 0 0 "[ . 1 . 2]" 1
695 1 41 PRO HA 1 43 ASP H 0.000 . 5.000 3.961 3.904 4.047 . 0 0 "[ . 1 . 2]" 1
696 1 41 PRO QB 1 43 ASP H 0.000 . 4.400 2.214 2.164 2.267 . 0 0 "[ . 1 . 2]" 1
697 1 41 PRO QB 1 44 ILE H 0.000 . 4.400 3.653 3.602 3.722 . 0 0 "[ . 1 . 2]" 1
698 1 41 PRO QD 1 44 ILE MG 0.000 . 4.400 3.612 3.570 3.660 . 0 0 "[ . 1 . 2]" 1
699 1 41 PRO QD 1 44 ILE MD 0.000 . 3.100 3.130 3.084 3.163 0.063 12 0 "[ . 1 . 2]" 1
700 1 41 PRO QG 1 44 ILE MG 0.000 . 5.000 4.417 4.377 4.454 . 0 0 "[ . 1 . 2]" 1
701 1 41 PRO QG 1 44 ILE MD 0.000 . 3.500 2.729 2.606 2.830 . 0 0 "[ . 1 . 2]" 1
702 1 41 PRO QB 1 44 ILE MD 0.000 . 4.400 4.327 4.184 4.429 0.029 12 0 "[ . 1 . 2]" 1
703 1 42 VAL H 1 43 ASP H 0.000 . 2.700 2.601 2.523 2.641 . 0 0 "[ . 1 . 2]" 1
704 1 42 VAL H 1 43 ASP HA 0.000 . 5.000 5.106 5.040 5.158 0.158 20 0 "[ . 1 . 2]" 1
705 1 42 VAL HA 1 43 ASP H 0.000 . 5.000 3.374 3.329 3.410 . 0 0 "[ . 1 . 2]" 1
706 1 42 VAL HB 1 43 ASP H 0.000 . 3.500 3.412 3.238 3.541 0.041 5 0 "[ . 1 . 2]" 1
707 1 42 VAL QG 1 43 ASP H 0.000 . 3.500 3.410 3.123 3.500 0.000 12 0 "[ . 1 . 2]" 1
708 1 42 VAL QG 1 43 ASP HA 0.000 . 3.500 3.361 3.157 3.484 . 0 0 "[ . 1 . 2]" 1
709 1 42 VAL QG 1 43 ASP QB 0.000 . 4.400 4.290 3.905 4.497 0.097 16 0 "[ . 1 . 2]" 1
710 1 42 VAL H 1 44 ILE H 0.000 . 5.000 4.440 4.359 4.484 . 0 0 "[ . 1 . 2]" 1
711 1 42 VAL H 1 44 ILE QG 0.000 . 5.000 5.047 5.003 5.076 0.076 17 0 "[ . 1 . 2]" 1
712 1 42 VAL HA 1 44 ILE H 0.000 . 5.000 4.080 3.974 4.204 . 0 0 "[ . 1 . 2]" 1
713 1 42 VAL QG 1 44 ILE H 0.000 . 5.000 4.558 4.416 4.668 . 0 0 "[ . 1 . 2]" 1
714 1 42 VAL H 1 45 LEU H 0.000 . 5.000 5.011 4.940 5.060 0.060 5 0 "[ . 1 . 2]" 1
715 1 42 VAL H 1 45 LEU QB 0.000 . 5.000 5.040 5.022 5.060 0.060 7 0 "[ . 1 . 2]" 1
716 1 42 VAL H 1 45 LEU HG 0.000 . 5.000 4.747 4.519 5.007 0.007 18 0 "[ . 1 . 2]" 1
717 1 42 VAL H 1 45 LEU QD 0.000 . 5.000 4.237 4.151 4.285 . 0 0 "[ . 1 . 2]" 1
718 1 42 VAL HA 1 45 LEU H 0.000 . 5.000 3.269 3.118 3.378 . 0 0 "[ . 1 . 2]" 1
719 1 42 VAL HA 1 45 LEU QB 0.000 . 2.400 2.418 2.378 2.437 0.037 18 0 "[ . 1 . 2]" 1
720 1 42 VAL HA 1 45 LEU HG 0.000 . 3.500 3.049 2.655 3.421 . 0 0 "[ . 1 . 2]" 1
721 1 42 VAL HA 1 45 LEU MD2 0.000 . 5.000 4.502 4.248 4.722 . 0 0 "[ . 1 . 2]" 1
722 1 42 VAL HA 1 45 LEU MD1 0.000 . 2.700 2.703 2.590 2.757 0.057 20 0 "[ . 1 . 2]" 1
723 1 42 VAL HB 1 45 LEU MD1 0.000 . 5.000 5.005 4.847 5.068 0.068 12 0 "[ . 1 . 2]" 1
724 1 42 VAL QG 1 45 LEU H 0.000 . 5.000 4.262 4.092 4.364 . 0 0 "[ . 1 . 2]" 1
725 1 42 VAL QG 1 45 LEU MD1 0.000 . 3.500 2.904 2.758 3.097 . 0 0 "[ . 1 . 2]" 1
726 1 42 VAL HA 1 46 GLY H 0.000 . 5.000 3.611 3.411 3.798 . 0 0 "[ . 1 . 2]" 1
727 1 42 VAL QG 1 46 GLY H 0.000 . 5.000 3.604 3.415 3.789 . 0 0 "[ . 1 . 2]" 1
728 1 43 ASP H 1 44 ILE H 0.000 . 2.700 2.383 2.318 2.426 . 0 0 "[ . 1 . 2]" 1
729 1 43 ASP H 1 44 ILE HA 0.000 . 5.000 5.111 5.067 5.143 0.143 10 0 "[ . 1 . 2]" 1
730 1 43 ASP H 1 44 ILE HB 0.000 . 5.000 4.822 4.736 4.935 . 0 0 "[ . 1 . 2]" 1
731 1 43 ASP H 1 44 ILE QG 0.000 . 4.400 3.435 3.363 3.531 . 0 0 "[ . 1 . 2]" 1
732 1 43 ASP H 1 44 ILE MD 0.000 . 5.000 4.143 4.013 4.267 . 0 0 "[ . 1 . 2]" 1
733 1 43 ASP HA 1 44 ILE H 0.000 . 5.000 3.523 3.501 3.546 . 0 0 "[ . 1 . 2]" 1
734 1 43 ASP HA 1 44 ILE MD 0.000 . 5.000 4.347 4.210 4.458 . 0 0 "[ . 1 . 2]" 1
735 1 43 ASP QB 1 44 ILE H 0.000 . 4.400 2.693 2.587 2.784 . 0 0 "[ . 1 . 2]" 1
736 1 43 ASP H 1 45 LEU H 0.000 . 5.000 3.808 3.690 3.894 . 0 0 "[ . 1 . 2]" 1
737 1 43 ASP H 1 45 LEU QD 0.000 . 5.000 4.705 4.620 4.830 . 0 0 "[ . 1 . 2]" 1
738 1 43 ASP HA 1 45 LEU H 0.000 . 5.000 4.570 4.519 4.651 . 0 0 "[ . 1 . 2]" 1
739 1 43 ASP H 1 46 GLY H 0.000 . 5.000 4.317 4.194 4.420 . 0 0 "[ . 1 . 2]" 1
740 1 43 ASP HA 1 46 GLY H 0.000 . 3.500 3.539 3.504 3.574 0.074 6 0 "[ . 1 . 2]" 1
741 1 43 ASP HA 1 46 GLY QA 0.000 . 4.400 3.720 3.602 3.824 . 0 0 "[ . 1 . 2]" 1
742 1 43 ASP HA 1 47 ARG H 0.000 . 5.000 4.472 3.981 4.695 . 0 0 "[ . 1 . 2]" 1
743 1 44 ILE H 1 45 LEU H 0.000 . 3.500 2.313 2.263 2.365 . 0 0 "[ . 1 . 2]" 1
744 1 44 ILE H 1 45 LEU QB 0.000 . 4.400 4.386 4.316 4.421 0.021 1 0 "[ . 1 . 2]" 1
745 1 44 ILE H 1 45 LEU QD 0.000 . 5.000 3.958 3.758 4.106 . 0 0 "[ . 1 . 2]" 1
746 1 44 ILE HA 1 45 LEU H 0.000 . 5.000 3.519 3.504 3.531 . 0 0 "[ . 1 . 2]" 1
747 1 44 ILE HB 1 45 LEU H 0.000 . 3.500 2.505 2.445 2.586 . 0 0 "[ . 1 . 2]" 1
748 1 44 ILE MG 1 45 LEU H 0.000 . 5.000 3.776 3.697 3.836 . 0 0 "[ . 1 . 2]" 1
749 1 44 ILE MD 1 45 LEU H 0.000 . 5.000 4.222 4.171 4.278 . 0 0 "[ . 1 . 2]" 1
750 1 44 ILE MG 1 45 LEU HA 0.000 . 5.000 4.108 4.012 4.199 . 0 0 "[ . 1 . 2]" 1
751 1 44 ILE MG 1 45 LEU MD2 0.000 . 3.500 3.049 2.856 3.253 . 0 0 "[ . 1 . 2]" 1
752 1 44 ILE H 1 46 GLY H 0.000 . 5.000 3.589 3.509 3.694 . 0 0 "[ . 1 . 2]" 1
753 1 44 ILE HA 1 46 GLY H 0.000 . 5.000 4.148 4.091 4.245 . 0 0 "[ . 1 . 2]" 1
754 1 44 ILE HB 1 46 GLY H 0.000 . 5.000 4.697 4.649 4.743 . 0 0 "[ . 1 . 2]" 1
755 1 44 ILE MG 1 46 GLY H 0.000 . 5.000 5.075 5.045 5.129 0.129 6 0 "[ . 1 . 2]" 1
756 1 44 ILE MD 1 46 GLY H 0.000 . 5.000 5.063 5.015 5.134 0.134 17 0 "[ . 1 . 2]" 1
757 1 44 ILE H 1 47 ARG H 0.000 . 5.000 4.630 4.361 4.781 . 0 0 "[ . 1 . 2]" 1
758 1 44 ILE HA 1 47 ARG H 0.000 . 3.500 3.469 3.351 3.561 0.061 18 0 "[ . 1 . 2]" 1
759 1 44 ILE HA 1 47 ARG QB 0.000 . 3.500 2.891 2.591 3.041 . 0 0 "[ . 1 . 2]" 1
760 1 44 ILE HA 1 47 ARG QG 0.000 . 5.000 4.902 4.499 5.071 0.071 10 0 "[ . 1 . 2]" 1
761 1 44 ILE HA 1 47 ARG QD 0.000 . 5.000 4.240 3.141 4.771 . 0 0 "[ . 1 . 2]" 1
762 1 44 ILE MG 1 47 ARG QB 0.000 . 5.000 3.782 3.481 4.068 . 0 0 "[ . 1 . 2]" 1
763 1 44 ILE MG 1 47 ARG QD 0.000 . 5.000 4.689 4.071 5.069 0.069 17 0 "[ . 1 . 2]" 1
764 1 44 ILE MD 1 47 ARG QB 0.000 . 5.000 3.968 3.605 4.150 . 0 0 "[ . 1 . 2]" 1
765 1 44 ILE MD 1 47 ARG QD 0.000 . 5.000 4.476 3.290 4.893 . 0 0 "[ . 1 . 2]" 1
766 1 44 ILE HA 1 48 VAL H 0.000 . 5.000 3.809 3.646 3.980 . 0 0 "[ . 1 . 2]" 1
767 1 44 ILE HA 1 48 VAL MG2 0.000 . 5.000 3.434 3.011 3.668 . 0 0 "[ . 1 . 2]" 1
768 1 44 ILE MG 1 48 VAL MG2 0.000 . 2.700 2.031 1.871 2.187 . 0 0 "[ . 1 . 2]" 1
769 1 44 ILE MD 1 48 VAL QG 0.000 . 5.000 4.162 3.861 4.370 . 0 0 "[ . 1 . 2]" 1
770 1 45 LEU H 1 46 GLY H 0.000 . 3.500 2.446 2.352 2.526 . 0 0 "[ . 1 . 2]" 1
771 1 45 LEU HA 1 46 GLY H 0.000 . 5.000 3.506 3.482 3.519 . 0 0 "[ . 1 . 2]" 1
772 1 45 LEU QB 1 46 GLY H 0.000 . 3.500 2.732 2.661 2.832 . 0 0 "[ . 1 . 2]" 1
773 1 45 LEU HG 1 46 GLY H 0.000 . 5.000 3.896 3.763 3.996 . 0 0 "[ . 1 . 2]" 1
774 1 45 LEU QD 1 46 GLY H 0.000 . 5.000 3.991 3.927 4.044 . 0 0 "[ . 1 . 2]" 1
775 1 45 LEU H 1 47 ARG H 0.000 . 5.000 3.840 3.709 3.936 . 0 0 "[ . 1 . 2]" 1
776 1 45 LEU HA 1 47 ARG H 0.000 . 5.000 3.868 3.751 4.021 . 0 0 "[ . 1 . 2]" 1
777 1 45 LEU HA 1 48 VAL H 0.000 . 3.500 2.985 2.931 3.137 . 0 0 "[ . 1 . 2]" 1
778 1 45 LEU QB 1 48 VAL H 0.000 . 4.400 4.604 4.569 4.652 0.252 17 0 "[ . 1 . 2]" 1
779 1 45 LEU HA 1 48 VAL HB 0.000 . 2.700 2.002 1.843 2.247 . 0 0 "[ . 1 . 2]" 1
780 1 45 LEU HA 1 48 VAL QG 0.000 . 3.500 2.908 2.777 3.074 . 0 0 "[ . 1 . 2]" 1
781 1 45 LEU QD 1 48 VAL H 0.000 . 5.000 4.186 4.106 4.270 . 0 0 "[ . 1 . 2]" 1
782 1 45 LEU MD2 1 48 VAL HB 0.000 . 3.500 2.944 2.829 3.160 . 0 0 "[ . 1 . 2]" 1
783 1 45 LEU HA 1 49 TRP H 0.000 . 5.000 3.243 2.904 3.384 . 0 0 "[ . 1 . 2]" 1
784 1 45 LEU QB 1 49 TRP H 0.000 . 5.000 4.357 4.113 4.532 . 0 0 "[ . 1 . 2]" 1
785 1 45 LEU QD 1 49 TRP H 0.000 . 5.000 4.446 4.113 4.610 . 0 0 "[ . 1 . 2]" 1
786 1 46 GLY H 1 47 ARG H 0.000 . 3.500 2.375 2.233 2.439 . 0 0 "[ . 1 . 2]" 1
787 1 46 GLY QA 1 47 ARG H 0.000 . 3.100 2.810 2.772 2.827 . 0 0 "[ . 1 . 2]" 1
788 1 46 GLY H 1 49 TRP H 0.000 . 5.000 4.740 4.604 4.887 . 0 0 "[ . 1 . 2]" 1
789 1 46 GLY QA 1 49 TRP H 0.000 . 4.400 4.020 3.866 4.328 . 0 0 "[ . 1 . 2]" 1
790 1 47 ARG H 1 48 VAL H 0.000 . 3.500 2.163 2.112 2.210 . 0 0 "[ . 1 . 2]" 1
791 1 47 ARG H 1 48 VAL HA 0.000 . 5.000 4.894 4.853 4.929 . 0 0 "[ . 1 . 2]" 1
792 1 47 ARG H 1 48 VAL HB 0.000 . 5.000 4.063 3.965 4.139 . 0 0 "[ . 1 . 2]" 1
793 1 47 ARG H 1 48 VAL QG 0.000 . 5.000 3.925 3.846 3.986 . 0 0 "[ . 1 . 2]" 1
794 1 47 ARG HA 1 48 VAL H 0.000 . 5.000 3.555 3.537 3.578 . 0 0 "[ . 1 . 2]" 1
795 1 47 ARG HA 1 48 VAL MG2 0.000 . 5.000 5.060 5.006 5.140 0.140 14 0 "[ . 1 . 2]" 1
796 1 47 ARG QB 1 48 VAL H 0.000 . 3.500 2.749 2.654 2.829 . 0 0 "[ . 1 . 2]" 1
797 1 47 ARG QB 1 48 VAL QG 0.000 . 5.000 3.220 3.072 3.390 . 0 0 "[ . 1 . 2]" 1
798 1 47 ARG QG 1 48 VAL H 0.000 . 4.400 4.313 3.808 4.468 0.068 18 0 "[ . 1 . 2]" 1
799 1 47 ARG H 1 49 TRP H 0.000 . 5.000 3.821 3.651 4.111 . 0 0 "[ . 1 . 2]" 1
800 1 47 ARG HA 1 49 TRP H 0.000 . 5.000 4.425 4.259 4.793 . 0 0 "[ . 1 . 2]" 1
801 1 47 ARG QB 1 49 TRP H 0.000 . 5.000 4.742 4.597 5.005 0.005 10 0 "[ . 1 . 2]" 1
802 1 47 ARG H 1 50 GLU H 0.000 . 5.000 4.673 4.423 4.822 . 0 0 "[ . 1 . 2]" 1
803 1 47 ARG H 1 50 GLU QB 0.000 . 5.000 4.926 4.028 5.091 0.091 20 0 "[ . 1 . 2]" 1
804 1 47 ARG H 1 50 GLU QG 0.000 . 5.000 4.840 4.421 5.214 0.214 10 0 "[ . 1 . 2]" 1
805 1 47 ARG HA 1 50 GLU H 0.000 . 3.500 3.535 3.509 3.580 0.080 19 0 "[ . 1 . 2]" 1
806 1 47 ARG HA 1 50 GLU QB 0.000 . 3.100 2.572 2.063 2.697 . 0 0 "[ . 1 . 2]" 1
807 1 47 ARG HA 1 50 GLU QG 0.000 . 4.400 3.195 2.519 3.572 . 0 0 "[ . 1 . 2]" 1
808 1 47 ARG QB 1 50 GLU H 0.000 . 5.000 5.096 5.019 5.136 0.136 9 0 "[ . 1 . 2]" 1
809 1 47 ARG HA 1 51 LEU H 0.000 . 5.000 3.792 3.305 4.135 . 0 0 "[ . 1 . 2]" 1
810 1 47 ARG HA 1 51 LEU MD1 0.000 . 5.000 3.192 2.470 3.972 . 0 0 "[ . 1 . 2]" 1
811 1 47 ARG QB 1 51 LEU MD1 0.000 . 5.000 2.822 1.810 3.737 . 0 0 "[ . 1 . 2]" 1
812 1 47 ARG QG 1 51 LEU QD 0.000 . 2.400 2.144 1.795 2.486 0.086 17 0 "[ . 1 . 2]" 1
813 1 47 ARG QD 1 51 LEU MD1 0.000 . 3.500 3.084 2.727 3.537 0.037 20 0 "[ . 1 . 2]" 1
814 1 48 VAL H 1 49 TRP H 0.000 . 3.500 2.590 2.457 2.824 . 0 0 "[ . 1 . 2]" 1
815 1 48 VAL HB 1 49 TRP H 0.000 . 2.700 2.658 2.390 2.751 0.051 12 0 "[ . 1 . 2]" 1
816 1 48 VAL QG 1 49 TRP H 0.000 . 3.500 3.053 2.642 3.201 . 0 0 "[ . 1 . 2]" 1
817 1 48 VAL MG1 1 49 TRP HA 0.000 . 5.000 3.314 3.037 3.441 . 0 0 "[ . 1 . 2]" 1
818 1 48 VAL QG 1 50 GLU H 0.000 . 5.000 4.704 4.475 4.833 . 0 0 "[ . 1 . 2]" 1
819 1 48 VAL H 1 50 GLU H 0.000 . 5.000 4.244 4.002 4.431 . 0 0 "[ . 1 . 2]" 1
820 1 48 VAL HA 1 51 LEU H 0.000 . 5.000 3.945 3.495 4.188 . 0 0 "[ . 1 . 2]" 1
821 1 48 VAL QG 1 51 LEU H 0.000 . 5.000 4.711 4.354 4.886 . 0 0 "[ . 1 . 2]" 1
822 1 48 VAL HA 1 51 LEU QB 0.000 . 4.400 3.070 2.626 3.293 . 0 0 "[ . 1 . 2]" 1
823 1 48 VAL HA 1 51 LEU HG 0.000 . 5.000 4.820 3.972 5.048 0.048 1 0 "[ . 1 . 2]" 1
824 1 48 VAL HA 1 51 LEU MD1 0.000 . 3.500 2.654 1.935 3.172 . 0 0 "[ . 1 . 2]" 1
825 1 49 TRP H 1 50 GLU H 0.000 . 3.500 2.731 2.657 2.798 . 0 0 "[ . 1 . 2]" 1
826 1 49 TRP HA 1 50 GLU H 0.000 . 5.000 3.597 3.557 3.610 . 0 0 "[ . 1 . 2]" 1
827 1 49 TRP QB 1 50 GLU H 0.000 . 3.100 2.424 2.320 2.545 . 0 0 "[ . 1 . 2]" 1
828 1 49 TRP HD1 1 50 GLU H 0.000 . 5.000 2.326 2.217 2.457 . 0 0 "[ . 1 . 2]" 1
829 1 49 TRP HD1 1 50 GLU HA 0.000 . 2.700 2.308 2.237 2.402 . 0 0 "[ . 1 . 2]" 1
830 1 49 TRP HD1 1 50 GLU QB 0.000 . 4.400 3.516 3.229 3.599 . 0 0 "[ . 1 . 2]" 1
831 1 49 TRP HD1 1 50 GLU QG 0.000 . 4.400 2.173 1.833 3.753 . 0 0 "[ . 1 . 2]" 1
832 1 49 TRP HE1 1 50 GLU H 0.000 . 5.000 4.818 4.715 4.925 . 0 0 "[ . 1 . 2]" 1
833 1 49 TRP HE1 1 50 GLU HA 0.000 . 5.000 3.467 3.381 3.554 . 0 0 "[ . 1 . 2]" 1
834 1 49 TRP HE1 1 50 GLU QB 0.000 . 5.000 5.197 5.124 5.256 0.256 9 0 "[ . 1 . 2]" 1
835 1 49 TRP HE1 1 50 GLU QG 0.000 . 5.000 3.782 3.404 4.973 . 0 0 "[ . 1 . 2]" 1
836 1 49 TRP H 1 51 LEU H 0.000 . 5.000 4.492 4.207 4.684 . 0 0 "[ . 1 . 2]" 1
837 1 49 TRP HA 1 51 LEU H 0.000 . 5.000 4.915 4.632 5.049 0.049 10 0 "[ . 1 . 2]" 1
838 1 49 TRP QB 1 51 LEU H 0.000 . 5.000 5.004 4.745 5.087 0.087 10 0 "[ . 1 . 2]" 1
839 1 49 TRP H 1 52 SER H 0.000 . 5.000 4.578 4.442 4.651 . 0 0 "[ . 1 . 2]" 1
840 1 49 TRP HA 1 52 SER H 0.000 . 3.500 3.414 3.272 3.523 0.023 18 0 "[ . 1 . 2]" 1
841 1 49 TRP QB 1 52 SER H 0.000 . 5.000 4.718 4.636 4.830 . 0 0 "[ . 1 . 2]" 1
842 1 49 TRP HA 1 53 ASP H 0.000 . 5.000 3.919 3.751 4.279 . 0 0 "[ . 1 . 2]" 1
843 1 49 TRP HE1 1 53 ASP H 0.000 . 5.000 4.760 4.578 5.004 0.004 8 0 "[ . 1 . 2]" 1
844 1 49 TRP HE1 1 53 ASP HA 0.000 . 5.000 5.078 5.018 5.152 0.152 18 0 "[ . 1 . 2]" 1
845 1 49 TRP HE1 1 53 ASP QB 0.000 . 4.400 2.697 2.456 2.986 . 0 0 "[ . 1 . 2]" 1
846 1 49 TRP HZ2 1 53 ASP QB 0.000 . 4.400 3.958 3.353 4.404 0.004 8 0 "[ . 1 . 2]" 1
847 1 50 GLU H 1 51 LEU H 0.000 . 3.500 3.016 2.837 3.174 . 0 0 "[ . 1 . 2]" 1
848 1 50 GLU HA 1 51 LEU H 0.000 . 3.500 3.576 3.539 3.588 0.088 4 0 "[ . 1 . 2]" 1
849 1 50 GLU QB 1 51 LEU H 0.000 . 2.700 2.207 2.022 2.289 . 0 0 "[ . 1 . 2]" 1
850 1 50 GLU QG 1 51 LEU H 0.000 . 5.000 3.967 3.818 4.059 . 0 0 "[ . 1 . 2]" 1
851 1 50 GLU QG 1 51 LEU MD1 0.000 . 5.000 4.984 4.751 5.078 0.078 8 0 "[ . 1 . 2]" 1
852 1 50 GLU H 1 51 LEU QB 0.000 . 5.000 4.864 4.677 5.001 0.001 10 0 "[ . 1 . 2]" 1
853 1 50 GLU H 1 51 LEU HG 0.000 . 5.000 4.777 4.294 5.009 0.009 10 0 "[ . 1 . 2]" 1
854 1 50 GLU H 1 51 LEU QD 0.000 . 5.000 4.483 4.272 4.798 . 0 0 "[ . 1 . 2]" 1
855 1 50 GLU H 1 52 SER H 0.000 . 5.000 3.727 3.664 3.886 . 0 0 "[ . 1 . 2]" 1
856 1 50 GLU HA 1 52 SER H 0.000 . 5.000 3.791 3.634 4.182 . 0 0 "[ . 1 . 2]" 1
857 1 50 GLU QB 1 52 SER H 0.000 . 5.000 4.046 3.836 4.214 . 0 0 "[ . 1 . 2]" 1
858 1 50 GLU H 1 53 ASP H 0.000 . 5.000 4.377 4.295 4.478 . 0 0 "[ . 1 . 2]" 1
859 1 50 GLU HA 1 53 ASP H 0.000 . 5.000 3.134 2.979 3.265 . 0 0 "[ . 1 . 2]" 1
860 1 50 GLU QG 1 53 ASP H 0.000 . 5.000 4.986 4.792 5.192 0.192 10 0 "[ . 1 . 2]" 1
861 1 51 LEU H 1 52 SER H 0.000 . 3.500 2.608 2.548 2.642 . 0 0 "[ . 1 . 2]" 1
862 1 51 LEU H 1 52 SER QB 0.000 . 5.000 4.318 4.150 4.595 . 0 0 "[ . 1 . 2]" 1
863 1 51 LEU HA 1 52 SER H 0.000 . 5.000 3.433 3.404 3.518 . 0 0 "[ . 1 . 2]" 1
864 1 51 LEU QB 1 52 SER H 0.000 . 4.400 3.000 2.713 3.118 . 0 0 "[ . 1 . 2]" 1
865 1 51 LEU HG 1 52 SER H 0.000 . 5.000 4.306 4.124 4.427 . 0 0 "[ . 1 . 2]" 1
866 1 51 LEU QD 1 52 SER H 0.000 . 5.000 4.087 3.704 4.216 . 0 0 "[ . 1 . 2]" 1
867 1 51 LEU HA 1 53 ASP H 0.000 . 5.000 4.330 3.829 4.665 . 0 0 "[ . 1 . 2]" 1
868 1 51 LEU H 1 53 ASP H 0.000 . 5.000 4.115 3.934 4.286 . 0 0 "[ . 1 . 2]" 1
869 1 51 LEU HA 1 54 ILE MD 0.000 . 5.000 4.838 4.526 5.068 0.068 15 0 "[ . 1 . 2]" 1
870 1 52 SER H 1 53 ASP H 0.000 . 2.700 2.220 2.105 2.396 . 0 0 "[ . 1 . 2]" 1
871 1 52 SER H 1 53 ASP HA 0.000 . 5.000 4.966 4.854 5.094 0.094 17 0 "[ . 1 . 2]" 1
872 1 52 SER H 1 53 ASP QB 0.000 . 4.400 3.846 3.696 3.958 . 0 0 "[ . 1 . 2]" 1
873 1 52 SER HA 1 53 ASP H 0.000 . 5.000 3.518 3.450 3.566 . 0 0 "[ . 1 . 2]" 1
874 1 52 SER QB 1 53 ASP H 0.000 . 3.100 2.730 2.489 3.108 0.008 10 0 "[ . 1 . 2]" 1
875 1 52 SER HA 1 54 ILE H 0.000 . 5.000 4.663 3.859 5.056 0.056 6 0 "[ . 1 . 2]" 1
876 1 52 SER HA 1 54 ILE QG 0.000 . 5.000 4.035 3.572 4.565 . 0 0 "[ . 1 . 2]" 1
877 1 52 SER HA 1 54 ILE MD 0.000 . 5.000 3.741 3.210 4.160 . 0 0 "[ . 1 . 2]" 1
878 1 53 ASP H 1 54 ILE H 0.000 . 5.000 4.085 3.672 4.327 . 0 0 "[ . 1 . 2]" 1
879 1 53 ASP HA 1 54 ILE H 0.000 . 2.700 2.379 2.275 2.626 . 0 0 "[ . 1 . 2]" 1
880 1 53 ASP QB 1 54 ILE H 0.000 . 5.000 3.980 3.907 4.071 . 0 0 "[ . 1 . 2]" 1
881 1 53 ASP HA 1 54 ILE HA 0.000 . 5.000 4.625 4.533 4.793 . 0 0 "[ . 1 . 2]" 1
882 1 53 ASP HA 1 54 ILE HB 0.000 . 5.000 4.609 4.464 4.811 . 0 0 "[ . 1 . 2]" 1
883 1 53 ASP HA 1 54 ILE QG 0.000 . 4.400 4.015 3.616 4.462 0.062 12 0 "[ . 1 . 2]" 1
884 1 53 ASP HA 1 54 ILE MD 0.000 . 5.000 4.737 4.133 5.044 0.044 17 0 "[ . 1 . 2]" 1
885 1 53 ASP HA 1 55 ASP H 0.000 . 5.000 3.479 3.223 3.727 . 0 0 "[ . 1 . 2]" 1
886 1 53 ASP HA 1 56 HIS H 0.000 . 5.000 3.518 3.171 3.953 . 0 0 "[ . 1 . 2]" 1
887 1 53 ASP QB 1 56 HIS H 0.000 . 5.000 3.083 2.212 4.097 . 0 0 "[ . 1 . 2]" 1
888 1 54 ILE H 1 55 ASP H 0.000 . 3.500 2.605 2.262 2.920 . 0 0 "[ . 1 . 2]" 1
889 1 54 ILE HA 1 55 ASP H 0.000 . 5.000 3.526 3.461 3.570 . 0 0 "[ . 1 . 2]" 1
890 1 54 ILE HB 1 55 ASP H 0.000 . 3.500 2.793 2.557 3.063 . 0 0 "[ . 1 . 2]" 1
891 1 54 ILE QG 1 55 ASP H 0.000 . 4.400 4.041 3.703 4.406 0.006 16 0 "[ . 1 . 2]" 1
892 1 54 ILE MG 1 55 ASP H 0.000 . 5.000 3.624 3.458 3.891 . 0 0 "[ . 1 . 2]" 1
893 1 54 ILE MG 1 55 ASP HA 0.000 . 5.000 3.717 3.357 4.009 . 0 0 "[ . 1 . 2]" 1
894 1 54 ILE H 1 56 HIS H 0.000 . 5.000 3.829 3.475 4.065 . 0 0 "[ . 1 . 2]" 1
895 1 54 ILE HA 1 56 HIS H 0.000 . 5.000 4.325 3.970 4.618 . 0 0 "[ . 1 . 2]" 1
896 1 54 ILE HB 1 56 HIS H 0.000 . 5.000 4.793 4.590 5.050 0.050 15 0 "[ . 1 . 2]" 1
897 1 54 ILE MG 1 56 HIS H 0.000 . 5.000 4.999 4.789 5.075 0.075 17 0 "[ . 1 . 2]" 1
898 1 55 ASP H 1 56 HIS H 0.000 . 2.700 2.169 1.974 2.357 . 0 0 "[ . 1 . 2]" 1
899 1 55 ASP H 1 56 HIS HD2 0.000 . 5.000 4.244 3.358 4.822 . 0 0 "[ . 1 . 2]" 1
900 1 55 ASP H 1 56 HIS HA 0.000 . 5.000 4.498 4.304 4.640 . 0 0 "[ . 1 . 2]" 1
901 1 55 ASP HA 1 56 HIS H 0.000 . 5.000 3.434 3.313 3.500 . 0 0 "[ . 1 . 2]" 1
902 1 55 ASP QB 1 56 HIS H 0.000 . 4.400 3.394 2.813 3.845 . 0 0 "[ . 1 . 2]" 1
903 1 55 ASP HA 1 56 HIS HD2 0.000 . 5.000 3.665 2.617 5.043 0.043 2 0 "[ . 1 . 2]" 1
904 1 55 ASP H 1 57 ASP H 0.000 . 5.000 4.100 3.970 4.340 . 0 0 "[ . 1 . 2]" 1
905 1 55 ASP HA 1 57 ASP H 0.000 . 5.000 4.967 4.553 5.088 0.088 5 0 "[ . 1 . 2]" 1
906 1 56 HIS H 1 57 ASP H 0.000 . 3.500 2.827 2.624 3.147 . 0 0 "[ . 1 . 2]" 1
907 1 56 HIS HA 1 57 ASP H 0.000 . 5.000 2.827 2.693 2.915 . 0 0 "[ . 1 . 2]" 1
908 1 56 HIS QB 1 57 ASP H 0.000 . 5.000 3.907 3.831 4.070 . 0 0 "[ . 1 . 2]" 1
909 1 56 HIS H 1 58 GLY H 0.000 . 5.000 4.552 4.290 4.850 . 0 0 "[ . 1 . 2]" 1
910 1 56 HIS H 1 59 MET H 0.000 . 5.000 5.049 4.911 5.146 0.146 16 0 "[ . 1 . 2]" 1
911 1 57 ASP H 1 58 GLY H 0.000 . 2.700 2.432 2.081 2.704 0.004 5 0 "[ . 1 . 2]" 1
912 1 57 ASP H 1 58 GLY QA 0.000 . 4.400 4.284 4.048 4.435 0.035 14 0 "[ . 1 . 2]" 1
913 1 57 ASP HA 1 58 GLY H 0.000 . 5.000 3.163 3.010 3.390 . 0 0 "[ . 1 . 2]" 1
914 1 57 ASP QB 1 58 GLY H 0.000 . 4.400 3.921 3.733 4.032 . 0 0 "[ . 1 . 2]" 1
915 1 57 ASP H 1 59 MET H 0.000 . 3.500 3.058 2.799 3.255 . 0 0 "[ . 1 . 2]" 1
916 1 57 ASP QB 1 59 MET H 0.000 . 4.400 4.216 3.305 4.411 0.011 1 0 "[ . 1 . 2]" 1
917 1 57 ASP H 1 59 MET QG 0.000 . 5.000 5.019 4.464 5.133 0.133 2 0 "[ . 1 . 2]" 1
918 1 57 ASP HA 1 59 MET H 0.000 . 5.000 4.694 4.489 4.922 . 0 0 "[ . 1 . 2]" 1
919 1 58 GLY H 1 59 MET H 0.000 . 2.700 2.446 2.119 2.669 . 0 0 "[ . 1 . 2]" 1
920 1 58 GLY H 1 59 MET QG 0.000 . 5.000 4.388 3.691 4.741 . 0 0 "[ . 1 . 2]" 1
921 1 58 GLY QA 1 59 MET H 0.000 . 4.400 2.836 2.792 2.899 . 0 0 "[ . 1 . 2]" 1
922 1 59 MET H 1 60 LEU H 0.000 . 5.000 4.431 4.415 4.450 . 0 0 "[ . 1 . 2]" 1
923 1 59 MET H 1 60 LEU MD2 0.000 . 5.000 4.445 4.034 4.776 . 0 0 "[ . 1 . 2]" 1
924 1 59 MET HA 1 60 LEU H 0.000 . 2.700 2.402 2.380 2.423 . 0 0 "[ . 1 . 2]" 1
925 1 59 MET HA 1 60 LEU MD2 0.000 . 5.000 4.759 4.285 5.035 0.035 20 0 "[ . 1 . 2]" 1
926 1 59 MET QB 1 60 LEU H 0.000 . 3.100 2.606 2.572 2.683 . 0 0 "[ . 1 . 2]" 1
927 1 59 MET QG 1 60 LEU H 0.000 . 5.000 4.033 3.630 4.394 . 0 0 "[ . 1 . 2]" 1
928 1 59 MET ME 1 60 LEU H 0.000 . 5.000 4.352 3.584 5.073 0.073 12 0 "[ . 1 . 2]" 1
929 1 60 LEU H 1 61 ASP H 0.000 . 5.000 4.092 3.894 4.274 . 0 0 "[ . 1 . 2]" 1
930 1 60 LEU HA 1 61 ASP H 0.000 . 2.700 2.263 2.224 2.317 . 0 0 "[ . 1 . 2]" 1
931 1 60 LEU HA 1 61 ASP HA 0.000 . 5.000 4.548 4.511 4.571 . 0 0 "[ . 1 . 2]" 1
932 1 60 LEU QB 1 61 ASP H 0.000 . 4.400 3.694 3.554 3.791 . 0 0 "[ . 1 . 2]" 1
933 1 60 LEU MD2 1 61 ASP H 0.000 . 5.000 3.378 2.975 3.533 . 0 0 "[ . 1 . 2]" 1
934 1 60 LEU HA 1 64 GLU H 0.000 . 5.000 4.852 4.608 5.049 0.049 9 0 "[ . 1 . 2]" 1
935 1 60 LEU HA 1 64 GLU QG 0.000 . 4.400 3.893 2.676 4.389 . 0 0 "[ . 1 . 2]" 1
936 1 60 LEU MD2 1 64 GLU H 0.000 . 5.000 4.469 3.947 4.758 . 0 0 "[ . 1 . 2]" 1
937 1 60 LEU MD2 1 64 GLU HA 0.000 . 5.000 3.611 3.312 3.921 . 0 0 "[ . 1 . 2]" 1
938 1 60 LEU MD2 1 64 GLU QB 0.000 . 3.500 1.970 1.724 2.264 . 0 0 "[ . 1 . 2]" 1
939 1 60 LEU MD2 1 64 GLU QG 0.000 . 4.400 3.262 1.772 3.938 . 0 0 "[ . 1 . 2]" 1
940 1 60 LEU HA 1 65 PHE H 0.000 . 5.000 3.926 3.670 4.177 . 0 0 "[ . 1 . 2]" 1
941 1 60 LEU MD1 1 65 PHE HA 0.000 . 2.700 2.227 1.897 2.515 . 0 0 "[ . 1 . 2]" 1
942 1 60 LEU MD2 1 65 PHE HA 0.000 . 5.000 2.905 2.488 3.225 . 0 0 "[ . 1 . 2]" 1
943 1 60 LEU MD1 1 65 PHE QB 0.000 . 5.000 3.541 3.274 3.789 . 0 0 "[ . 1 . 2]" 1
944 1 60 LEU MD1 1 65 PHE QD 0.000 . 5.000 2.713 2.205 3.150 . 0 0 "[ . 1 . 2]" 1
945 1 60 LEU MD1 1 65 PHE QE 0.000 . 5.000 3.600 3.259 3.866 . 0 0 "[ . 1 . 2]" 1
946 1 60 LEU MD1 1 65 PHE HZ 0.000 . 5.000 5.012 4.822 5.072 0.072 19 0 "[ . 1 . 2]" 1
947 1 60 LEU MD1 1 65 PHE H 0.000 . 5.000 4.240 3.943 4.521 . 0 0 "[ . 1 . 2]" 1
948 1 60 LEU MD2 1 65 PHE H 0.000 . 5.000 3.332 2.911 3.617 . 0 0 "[ . 1 . 2]" 1
949 1 60 LEU MD2 1 66 ALA H 0.000 . 5.000 4.772 4.522 5.036 0.036 15 0 "[ . 1 . 2]" 1
950 1 60 LEU MD2 1 68 ALA H 0.000 . 5.000 4.293 3.872 4.584 . 0 0 "[ . 1 . 2]" 1
951 1 61 ASP H 1 62 ARG H 0.000 . 5.000 4.650 4.607 4.679 . 0 0 "[ . 1 . 2]" 1
952 1 61 ASP HA 1 62 ARG H 0.000 . 3.500 2.427 2.315 2.499 . 0 0 "[ . 1 . 2]" 1
953 1 61 ASP QB 1 62 ARG H 0.000 . 3.100 2.977 2.501 3.263 0.163 10 0 "[ . 1 . 2]" 1
954 1 61 ASP H 1 63 ASP H 0.000 . 5.000 4.974 4.788 5.055 0.055 17 0 "[ . 1 . 2]" 1
955 1 61 ASP HA 1 63 ASP H 0.000 . 5.000 4.415 4.160 4.576 . 0 0 "[ . 1 . 2]" 1
956 1 61 ASP QB 1 63 ASP H 0.000 . 3.500 3.080 2.582 3.503 0.003 12 0 "[ . 1 . 2]" 1
957 1 61 ASP H 1 64 GLU H 0.000 . 5.000 3.449 3.300 3.570 . 0 0 "[ . 1 . 2]" 1
958 1 61 ASP HA 1 64 GLU H 0.000 . 5.000 4.371 4.206 4.658 . 0 0 "[ . 1 . 2]" 1
959 1 61 ASP H 1 65 PHE H 0.000 . 5.000 3.565 3.226 3.759 . 0 0 "[ . 1 . 2]" 1
960 1 61 ASP HA 1 65 PHE H 0.000 . 5.000 4.361 4.178 4.546 . 0 0 "[ . 1 . 2]" 1
961 1 62 ARG H 1 63 ASP H 0.000 . 3.500 2.976 2.811 3.157 . 0 0 "[ . 1 . 2]" 1
962 1 62 ARG HA 1 63 ASP H 0.000 . 3.500 3.559 3.541 3.578 0.078 5 0 "[ . 1 . 2]" 1
963 1 62 ARG QB 1 63 ASP H 0.000 . 3.500 3.260 3.022 3.386 . 0 0 "[ . 1 . 2]" 1
964 1 62 ARG QG 1 63 ASP H 0.000 . 4.400 1.823 1.768 1.946 . 0 0 "[ . 1 . 2]" 1
965 1 62 ARG H 1 64 GLU H 0.000 . 5.000 4.209 3.946 4.527 . 0 0 "[ . 1 . 2]" 1
966 1 62 ARG HA 1 64 GLU H 0.000 . 5.000 4.575 4.326 4.811 . 0 0 "[ . 1 . 2]" 1
967 1 62 ARG QB 1 64 GLU H 0.000 . 5.000 5.039 4.823 5.126 0.126 7 0 "[ . 1 . 2]" 1
968 1 62 ARG QG 1 64 GLU H 0.000 . 4.400 3.908 3.760 4.007 . 0 0 "[ . 1 . 2]" 1
969 1 62 ARG HA 1 65 PHE H 0.000 . 5.000 3.905 3.701 4.099 . 0 0 "[ . 1 . 2]" 1
970 1 62 ARG HA 1 65 PHE QB 0.000 . 4.400 2.860 2.578 3.050 . 0 0 "[ . 1 . 2]" 1
971 1 62 ARG QG 1 65 PHE H 0.000 . 5.000 5.017 4.932 5.081 0.081 9 0 "[ . 1 . 2]" 1
972 1 63 ASP H 1 64 GLU H 0.000 . 3.500 2.434 2.285 2.605 . 0 0 "[ . 1 . 2]" 1
973 1 63 ASP QB 1 64 GLU H 0.000 . 3.100 2.672 2.466 2.877 . 0 0 "[ . 1 . 2]" 1
974 1 63 ASP H 1 65 PHE H 0.000 . 5.000 4.034 3.803 4.169 . 0 0 "[ . 1 . 2]" 1
975 1 63 ASP H 1 66 ALA H 0.000 . 5.000 4.677 4.569 4.771 . 0 0 "[ . 1 . 2]" 1
976 1 63 ASP H 1 66 ALA MB 0.000 . 5.000 4.568 4.402 4.749 . 0 0 "[ . 1 . 2]" 1
977 1 63 ASP HA 1 66 ALA MB 0.000 . 2.700 2.573 2.369 2.694 . 0 0 "[ . 1 . 2]" 1
978 1 63 ASP HA 1 66 ALA H 0.000 . 3.500 3.549 3.510 3.606 0.106 14 0 "[ . 1 . 2]" 1
979 1 64 GLU H 1 65 PHE H 0.000 . 3.500 2.530 2.398 2.680 . 0 0 "[ . 1 . 2]" 1
980 1 64 GLU HA 1 65 PHE H 0.000 . 5.000 3.556 3.534 3.573 . 0 0 "[ . 1 . 2]" 1
981 1 64 GLU QB 1 65 PHE H 0.000 . 3.500 2.394 2.210 2.486 . 0 0 "[ . 1 . 2]" 1
982 1 64 GLU H 1 66 ALA H 0.000 . 5.000 3.705 3.578 3.814 . 0 0 "[ . 1 . 2]" 1
983 1 64 GLU QB 1 66 ALA H 0.000 . 4.400 4.266 4.092 4.443 0.043 3 0 "[ . 1 . 2]" 1
984 1 64 GLU QG 1 66 ALA H 0.000 . 5.000 5.098 5.027 5.194 0.194 9 0 "[ . 1 . 2]" 1
985 1 64 GLU H 1 67 VAL H 0.000 . 5.000 4.997 4.837 5.055 0.055 5 0 "[ . 1 . 2]" 1
986 1 64 GLU HA 1 67 VAL H 0.000 . 5.000 3.406 3.243 3.489 . 0 0 "[ . 1 . 2]" 1
987 1 64 GLU HA 1 67 VAL HB 0.000 . 5.000 3.237 2.709 3.711 . 0 0 "[ . 1 . 2]" 1
988 1 64 GLU HA 1 67 VAL MG2 0.000 . 3.500 2.869 2.415 3.253 . 0 0 "[ . 1 . 2]" 1
989 1 64 GLU HA 1 67 VAL MG1 0.000 . 5.000 4.456 4.038 4.706 . 0 0 "[ . 1 . 2]" 1
990 1 65 PHE H 1 66 ALA H 0.000 . 3.500 2.623 2.562 2.752 . 0 0 "[ . 1 . 2]" 1
991 1 65 PHE HA 1 66 ALA H 0.000 . 3.500 3.482 3.441 3.528 0.028 6 0 "[ . 1 . 2]" 1
992 1 65 PHE QB 1 66 ALA H 0.000 . 3.500 2.838 2.661 2.970 . 0 0 "[ . 1 . 2]" 1
993 1 65 PHE H 1 66 ALA MB 0.000 . 5.000 4.179 4.110 4.277 . 0 0 "[ . 1 . 2]" 1
994 1 65 PHE H 1 67 VAL H 0.000 . 5.000 4.528 4.433 4.727 . 0 0 "[ . 1 . 2]" 1
995 1 65 PHE HA 1 67 VAL H 0.000 . 5.000 4.630 4.408 4.841 . 0 0 "[ . 1 . 2]" 1
996 1 65 PHE H 1 68 ALA H 0.000 . 5.000 5.034 4.876 5.144 0.144 11 0 "[ . 1 . 2]" 1
997 1 65 PHE HA 1 68 ALA H 0.000 . 3.500 3.493 3.405 3.560 0.060 16 0 "[ . 1 . 2]" 1
998 1 65 PHE HA 1 68 ALA MB 0.000 . 2.700 2.653 2.428 2.748 0.048 13 0 "[ . 1 . 2]" 1
999 1 65 PHE QB 1 68 ALA MB 0.000 . 5.000 4.382 4.202 4.486 . 0 0 "[ . 1 . 2]" 1
1000 1 65 PHE HA 1 69 MET H 0.000 . 5.000 4.908 4.703 5.040 0.040 11 0 "[ . 1 . 2]" 1
1001 1 65 PHE QE 1 69 MET ME 0.000 . 5.000 2.377 1.891 2.818 . 0 0 "[ . 1 . 2]" 1
1002 1 65 PHE HZ 1 69 MET ME 0.000 . 5.000 2.861 2.217 3.321 . 0 0 "[ . 1 . 2]" 1
1003 1 66 ALA H 1 67 VAL H 0.000 . 3.500 2.624 2.520 2.759 . 0 0 "[ . 1 . 2]" 1
1004 1 66 ALA H 1 67 VAL HB 0.000 . 5.000 4.571 4.371 4.853 . 0 0 "[ . 1 . 2]" 1
1005 1 66 ALA MB 1 67 VAL HA 0.000 . 5.000 3.758 3.679 3.821 . 0 0 "[ . 1 . 2]" 1
1006 1 66 ALA MB 1 67 VAL MG2 0.000 . 2.700 2.748 2.683 2.801 0.101 9 0 "[ . 1 . 2]" 1
1007 1 66 ALA H 1 67 VAL MG2 0.000 . 5.000 3.885 3.591 4.190 . 0 0 "[ . 1 . 2]" 1
1008 1 66 ALA HA 1 67 VAL H 0.000 . 3.500 3.553 3.537 3.568 0.068 8 0 "[ . 1 . 2]" 1
1009 1 66 ALA MB 1 67 VAL H 0.000 . 3.500 2.224 2.098 2.361 . 0 0 "[ . 1 . 2]" 1
1010 1 66 ALA H 1 68 ALA H 0.000 . 5.000 3.812 3.704 3.938 . 0 0 "[ . 1 . 2]" 1
1011 1 66 ALA MB 1 68 ALA H 0.000 . 5.000 4.144 4.032 4.298 . 0 0 "[ . 1 . 2]" 1
1012 1 66 ALA HA 1 69 MET QB 0.000 . 5.000 2.931 2.461 3.501 . 0 0 "[ . 1 . 2]" 1
1013 1 66 ALA HA 1 69 MET QG 0.000 . 5.000 2.314 1.998 2.827 . 0 0 "[ . 1 . 2]" 1
1014 1 66 ALA HA 1 69 MET ME 0.000 . 5.000 5.016 4.916 5.079 0.079 16 0 "[ . 1 . 2]" 1
1015 1 67 VAL H 1 68 ALA H 0.000 . 3.500 2.694 2.634 2.782 . 0 0 "[ . 1 . 2]" 1
1016 1 67 VAL H 1 68 ALA MB 0.000 . 5.000 4.189 4.135 4.294 . 0 0 "[ . 1 . 2]" 1
1017 1 67 VAL HA 1 68 ALA H 0.000 . 3.500 3.502 3.464 3.524 0.024 18 0 "[ . 1 . 2]" 1
1018 1 67 VAL HB 1 68 ALA H 0.000 . 3.500 2.838 2.686 2.975 . 0 0 "[ . 1 . 2]" 1
1019 1 67 VAL HB 1 68 ALA MB 0.000 . 5.000 3.727 3.626 3.827 . 0 0 "[ . 1 . 2]" 1
1020 1 67 VAL QG 1 68 ALA H 0.000 . 3.500 3.355 3.256 3.424 . 0 0 "[ . 1 . 2]" 1
1021 1 67 VAL MG1 1 68 ALA HA 0.000 . 5.000 3.729 3.502 3.959 . 0 0 "[ . 1 . 2]" 1
1022 1 67 VAL MG1 1 68 ALA MB 0.000 . 5.000 4.018 3.727 4.263 . 0 0 "[ . 1 . 2]" 1
1023 1 67 VAL H 1 69 MET H 0.000 . 5.000 4.140 3.988 4.288 . 0 0 "[ . 1 . 2]" 1
1024 1 67 VAL HA 1 69 MET H 0.000 . 5.000 3.970 3.813 4.141 . 0 0 "[ . 1 . 2]" 1
1025 1 67 VAL HB 1 69 MET H 0.000 . 5.000 4.944 4.789 5.068 0.068 3 0 "[ . 1 . 2]" 1
1026 1 67 VAL HA 1 70 PHE H 0.000 . 5.000 4.094 3.954 4.266 . 0 0 "[ . 1 . 2]" 1
1027 1 67 VAL MG1 1 71 LEU HG 0.000 . 5.000 3.378 2.999 3.829 . 0 0 "[ . 1 . 2]" 1
1028 1 67 VAL MG1 1 71 LEU MD1 0.000 . 2.700 2.086 1.800 2.540 . 0 0 "[ . 1 . 2]" 1
1029 1 68 ALA H 1 69 MET H 0.000 . 3.500 2.473 2.426 2.541 . 0 0 "[ . 1 . 2]" 1
1030 1 68 ALA H 1 69 MET QB 0.000 . 5.000 4.416 4.060 4.781 . 0 0 "[ . 1 . 2]" 1
1031 1 68 ALA H 1 69 MET QG 0.000 . 4.400 3.812 3.352 4.267 . 0 0 "[ . 1 . 2]" 1
1032 1 68 ALA HA 1 69 MET H 0.000 . 3.500 3.411 3.342 3.498 . 0 0 "[ . 1 . 2]" 1
1033 1 68 ALA MB 1 69 MET H 0.000 . 3.500 3.157 3.037 3.273 . 0 0 "[ . 1 . 2]" 1
1034 1 68 ALA MB 1 69 MET ME 0.000 . 3.500 3.537 3.306 3.651 0.151 9 0 "[ . 1 . 2]" 1
1035 1 68 ALA H 1 70 PHE QD 0.000 . 5.000 4.515 4.086 5.063 0.063 20 0 "[ . 1 . 2]" 1
1036 1 68 ALA H 1 70 PHE QE 0.000 . 5.000 4.775 4.428 5.063 0.063 20 0 "[ . 1 . 2]" 1
1037 1 68 ALA MB 1 70 PHE H 0.000 . 5.000 4.961 4.777 5.089 0.089 15 0 "[ . 1 . 2]" 1
1038 1 68 ALA HA 1 71 LEU H 0.000 . 5.000 3.483 3.384 3.597 . 0 0 "[ . 1 . 2]" 1
1039 1 68 ALA HA 1 71 LEU QB 0.000 . 4.400 2.156 1.848 2.482 . 0 0 "[ . 1 . 2]" 1
1040 1 68 ALA HA 1 71 LEU HG 0.000 . 5.000 4.220 3.880 4.771 . 0 0 "[ . 1 . 2]" 1
1041 1 68 ALA HA 1 71 LEU MD1 0.000 . 3.500 2.679 2.095 3.191 . 0 0 "[ . 1 . 2]" 1
1042 1 68 ALA MB 1 71 LEU QD 0.000 . 5.000 3.682 3.184 4.138 . 0 0 "[ . 1 . 2]" 1
1043 1 68 ALA HA 1 72 VAL MG2 0.000 . 3.500 3.516 3.374 3.594 0.094 16 0 "[ . 1 . 2]" 1
1044 1 68 ALA MB 1 72 VAL MG2 0.000 . 5.000 3.259 3.139 3.443 . 0 0 "[ . 1 . 2]" 1
1045 1 69 MET H 1 70 PHE H 0.000 . 3.500 2.448 2.322 2.518 . 0 0 "[ . 1 . 2]" 1
1046 1 69 MET H 1 70 PHE QD 0.000 . 5.000 3.543 3.196 3.964 . 0 0 "[ . 1 . 2]" 1
1047 1 69 MET H 1 70 PHE QE 0.000 . 5.000 4.949 4.690 5.075 0.075 9 0 "[ . 1 . 2]" 1
1048 1 69 MET H 1 70 PHE QB 0.000 . 4.400 4.407 4.258 4.454 0.054 17 0 "[ . 1 . 2]" 1
1049 1 69 MET HA 1 70 PHE H 0.000 . 3.500 3.566 3.531 3.576 0.076 7 0 "[ . 1 . 2]" 1
1050 1 69 MET QB 1 70 PHE H 0.000 . 5.000 2.481 2.383 2.761 . 0 0 "[ . 1 . 2]" 1
1051 1 69 MET QG 1 70 PHE H 0.000 . 4.400 4.001 3.626 4.238 . 0 0 "[ . 1 . 2]" 1
1052 1 69 MET QB 1 71 LEU H 0.000 . 5.000 4.318 4.180 4.560 . 0 0 "[ . 1 . 2]" 1
1053 1 69 MET HA 1 72 VAL H 0.000 . 3.500 3.500 3.383 3.554 0.054 10 0 "[ . 1 . 2]" 1
1054 1 69 MET HA 1 72 VAL HB 0.000 . 2.700 2.803 2.742 2.853 0.153 10 0 "[ . 1 . 2]" 1
1055 1 69 MET HA 1 72 VAL MG2 0.000 . 3.500 3.349 2.958 3.593 0.093 15 0 "[ . 1 . 2]" 1
1056 1 69 MET HA 1 72 VAL MG1 0.000 . 5.000 4.043 3.889 4.134 . 0 0 "[ . 1 . 2]" 1
1057 1 69 MET ME 1 72 VAL HB 0.000 . 5.000 3.318 2.964 3.694 . 0 0 "[ . 1 . 2]" 1
1058 1 69 MET ME 1 72 VAL MG2 0.000 . 3.500 3.259 2.725 3.539 0.039 4 0 "[ . 1 . 2]" 1
1059 1 69 MET ME 1 72 VAL MG1 0.000 . 5.000 3.438 3.131 3.773 . 0 0 "[ . 1 . 2]" 1
1060 1 69 MET HA 1 73 TYR H 0.000 . 5.000 4.083 3.765 4.485 . 0 0 "[ . 1 . 2]" 1
1061 1 69 MET HA 1 73 TYR QE 0.000 . 5.000 5.001 4.876 5.072 0.072 1 0 "[ . 1 . 2]" 1
1062 1 69 MET ME 1 73 TYR QD 0.000 . 5.000 4.015 3.639 4.501 . 0 0 "[ . 1 . 2]" 1
1063 1 69 MET ME 1 73 TYR QE 0.000 . 5.000 3.879 3.666 4.289 . 0 0 "[ . 1 . 2]" 1
1064 1 70 PHE H 1 71 LEU H 0.000 . 3.500 2.354 2.289 2.394 . 0 0 "[ . 1 . 2]" 1
1065 1 70 PHE H 1 71 LEU HA 0.000 . 5.000 5.062 5.014 5.096 0.096 10 0 "[ . 1 . 2]" 1
1066 1 70 PHE H 1 71 LEU QB 0.000 . 4.400 3.959 3.871 4.077 . 0 0 "[ . 1 . 2]" 1
1067 1 70 PHE H 1 71 LEU HG 0.000 . 5.000 4.879 4.429 5.032 0.032 13 0 "[ . 1 . 2]" 1
1068 1 70 PHE HA 1 71 LEU H 0.000 . 5.000 3.473 3.430 3.511 . 0 0 "[ . 1 . 2]" 1
1069 1 70 PHE QB 1 71 LEU H 0.000 . 4.400 3.502 3.355 3.622 . 0 0 "[ . 1 . 2]" 1
1070 1 70 PHE QD 1 71 LEU H 0.000 . 3.500 3.019 2.662 3.397 . 0 0 "[ . 1 . 2]" 1
1071 1 70 PHE QD 1 71 LEU HA 0.000 . 5.000 3.608 3.022 4.064 . 0 0 "[ . 1 . 2]" 1
1072 1 70 PHE QE 1 71 LEU H 0.000 . 5.000 3.966 3.671 4.277 . 0 0 "[ . 1 . 2]" 1
1073 1 70 PHE HA 1 72 VAL H 0.000 . 5.000 3.821 3.632 3.991 . 0 0 "[ . 1 . 2]" 1
1074 1 70 PHE HA 1 73 TYR H 0.000 . 3.500 3.241 2.782 3.538 0.038 14 0 "[ . 1 . 2]" 1
1075 1 70 PHE HA 1 74 CYS H 0.000 . 5.000 3.682 3.138 4.022 . 0 0 "[ . 1 . 2]" 1
1076 1 71 LEU H 1 72 VAL H 0.000 . 3.500 2.436 2.318 2.608 . 0 0 "[ . 1 . 2]" 1
1077 1 71 LEU HA 1 72 VAL H 0.000 . 3.500 3.471 3.422 3.492 . 0 0 "[ . 1 . 2]" 1
1078 1 71 LEU QB 1 72 VAL H 0.000 . 3.100 2.896 2.747 3.102 0.002 13 0 "[ . 1 . 2]" 1
1079 1 71 LEU QB 1 72 VAL MG2 0.000 . 4.400 3.079 2.795 3.366 . 0 0 "[ . 1 . 2]" 1
1080 1 71 LEU HA 1 74 CYS H 0.000 . 5.000 3.923 3.693 4.172 . 0 0 "[ . 1 . 2]" 1
1081 1 71 LEU HA 1 74 CYS QB 0.000 . 4.400 3.026 2.791 3.302 . 0 0 "[ . 1 . 2]" 1
1082 1 71 LEU MD2 1 74 CYS QB 0.000 . 5.000 3.815 3.585 4.215 . 0 0 "[ . 1 . 2]" 1
1083 1 71 LEU H 1 73 TYR H 0.000 . 5.000 4.150 3.779 4.710 . 0 0 "[ . 1 . 2]" 1
1084 1 72 VAL H 1 73 TYR H 0.000 . 3.500 2.378 2.252 2.589 . 0 0 "[ . 1 . 2]" 1
1085 1 72 VAL H 1 73 TYR HA 0.000 . 5.000 5.063 4.983 5.152 0.152 8 0 "[ . 1 . 2]" 1
1086 1 72 VAL H 1 73 TYR QB 0.000 . 5.000 3.937 3.847 4.068 . 0 0 "[ . 1 . 2]" 1
1087 1 72 VAL HA 1 73 TYR H 0.000 . 5.000 3.554 3.467 3.579 . 0 0 "[ . 1 . 2]" 1
1088 1 72 VAL HB 1 73 TYR H 0.000 . 3.500 2.507 2.109 3.019 . 0 0 "[ . 1 . 2]" 1
1089 1 72 VAL QG 1 73 TYR H 0.000 . 3.500 2.996 2.585 3.375 . 0 0 "[ . 1 . 2]" 1
1090 1 72 VAL MG1 1 73 TYR HA 0.000 . 5.000 3.351 3.074 3.635 . 0 0 "[ . 1 . 2]" 1
1091 1 72 VAL HA 1 74 CYS H 0.000 . 5.000 4.172 3.815 4.526 . 0 0 "[ . 1 . 2]" 1
1092 1 72 VAL HB 1 74 CYS H 0.000 . 5.000 4.772 4.397 5.061 0.061 6 0 "[ . 1 . 2]" 1
1093 1 72 VAL QG 1 74 CYS H 0.000 . 5.000 4.374 4.072 4.514 . 0 0 "[ . 1 . 2]" 1
1094 1 72 VAL H 1 75 ALA H 0.000 . 5.000 4.718 4.483 4.932 . 0 0 "[ . 1 . 2]" 1
1095 1 72 VAL H 1 75 ALA MB 0.000 . 5.000 4.726 4.281 4.962 . 0 0 "[ . 1 . 2]" 1
1096 1 72 VAL HA 1 75 ALA MB 0.000 . 2.700 2.669 2.420 2.747 0.047 5 0 "[ . 1 . 2]" 1
1097 1 72 VAL QG 1 75 ALA MB 0.000 . 5.000 3.462 3.274 3.640 . 0 0 "[ . 1 . 2]" 1
1098 1 72 VAL HA 1 75 ALA H 0.000 . 3.500 3.534 3.377 3.639 0.139 17 0 "[ . 1 . 2]" 1
1099 1 72 VAL HA 1 76 LEU H 0.000 . 5.000 4.981 4.255 5.104 0.104 12 0 "[ . 1 . 2]" 1
1100 1 72 VAL MG1 1 76 LEU QD 0.000 . 2.700 2.348 2.101 2.600 . 0 0 "[ . 1 . 2]" 1
1101 1 73 TYR H 1 74 CYS H 0.000 . 3.500 2.602 2.247 2.926 . 0 0 "[ . 1 . 2]" 1
1102 1 73 TYR HA 1 74 CYS H 0.000 . 5.000 3.505 3.466 3.552 . 0 0 "[ . 1 . 2]" 1
1103 1 73 TYR QB 1 74 CYS H 0.000 . 5.000 2.900 2.723 3.032 . 0 0 "[ . 1 . 2]" 1
1104 1 73 TYR QD 1 74 CYS H 0.000 . 5.000 4.692 4.613 4.748 . 0 0 "[ . 1 . 2]" 1
1105 1 73 TYR H 1 75 ALA H 0.000 . 5.000 3.987 3.762 4.267 . 0 0 "[ . 1 . 2]" 1
1106 1 73 TYR HA 1 75 ALA H 0.000 . 5.000 3.896 3.758 4.016 . 0 0 "[ . 1 . 2]" 1
1107 1 73 TYR HA 1 76 LEU QB 0.000 . 3.500 3.289 2.932 3.637 0.137 11 0 "[ . 1 . 2]" 1
1108 1 73 TYR HA 1 76 LEU QD 0.000 . 2.700 2.068 1.686 2.467 . 0 0 "[ . 1 . 2]" 1
1109 1 73 TYR QD 1 76 LEU QD 0.000 . 3.500 2.672 2.006 3.006 . 0 0 "[ . 1 . 2]" 1
1110 1 73 TYR QE 1 76 LEU QD 0.000 . 3.500 3.350 3.010 3.538 0.038 10 0 "[ . 1 . 2]" 1
1111 1 73 TYR QD 1 77 GLU H 0.000 . 5.000 5.029 4.933 5.089 0.089 18 0 "[ . 1 . 2]" 1
1112 1 74 CYS H 1 75 ALA H 0.000 . 3.500 2.399 2.345 2.451 . 0 0 "[ . 1 . 2]" 1
1113 1 74 CYS H 1 75 ALA HA 0.000 . 5.000 5.052 5.013 5.096 0.096 20 0 "[ . 1 . 2]" 1
1114 1 74 CYS H 1 75 ALA MB 0.000 . 5.000 3.919 3.823 4.002 . 0 0 "[ . 1 . 2]" 1
1115 1 74 CYS HA 1 75 ALA H 0.000 . 3.500 3.439 3.396 3.476 . 0 0 "[ . 1 . 2]" 1
1116 1 74 CYS QB 1 75 ALA H 0.000 . 3.100 3.057 2.953 3.145 0.045 11 0 "[ . 1 . 2]" 1
1117 1 74 CYS H 1 76 LEU H 0.000 . 5.000 3.965 3.868 4.104 . 0 0 "[ . 1 . 2]" 1
1118 1 74 CYS HA 1 77 GLU H 0.000 . 3.500 3.468 3.228 3.583 0.083 19 0 "[ . 1 . 2]" 1
1119 1 74 CYS HA 1 77 GLU QB 0.000 . 4.400 3.234 2.368 4.418 0.018 10 0 "[ . 1 . 2]" 1
1120 1 74 CYS HA 1 77 GLU QG 0.000 . 4.400 4.198 2.328 4.468 0.068 1 0 "[ . 1 . 2]" 1
1121 1 74 CYS QB 1 79 GLU QB 0.000 . 4.400 2.727 1.731 4.434 0.034 6 0 "[ . 1 . 2]" 1
1122 1 75 ALA H 1 76 LEU H 0.000 . 3.500 2.289 2.151 2.396 . 0 0 "[ . 1 . 2]" 1
1123 1 75 ALA H 1 76 LEU HA 0.000 . 5.000 4.969 4.909 5.060 0.060 4 0 "[ . 1 . 2]" 1
1124 1 75 ALA H 1 76 LEU QB 0.000 . 4.400 4.327 3.900 4.531 0.131 17 0 "[ . 1 . 2]" 1
1125 1 75 ALA H 1 76 LEU HG 0.000 . 5.000 3.874 3.008 5.114 0.114 14 0 "[ . 1 . 2]" 1
1126 1 75 ALA H 1 76 LEU QD 0.000 . 3.500 3.129 2.534 3.777 0.277 13 0 "[ . 1 . 2]" 1
1127 1 75 ALA HA 1 76 LEU H 0.000 . 5.000 3.408 3.343 3.491 . 0 0 "[ . 1 . 2]" 1
1128 1 75 ALA MB 1 76 LEU H 0.000 . 3.500 2.979 2.474 3.128 . 0 0 "[ . 1 . 2]" 1
1129 1 75 ALA MB 1 76 LEU QD 0.000 . 5.000 2.600 2.132 3.924 . 0 0 "[ . 1 . 2]" 1
1130 1 75 ALA H 1 77 GLU H 0.000 . 5.000 4.096 3.412 4.441 . 0 0 "[ . 1 . 2]" 1
1131 1 76 LEU H 1 77 GLU H 0.000 . 3.500 2.322 2.238 2.474 . 0 0 "[ . 1 . 2]" 1
1132 1 76 LEU H 1 77 GLU HA 0.000 . 5.000 5.024 4.954 5.085 0.085 10 0 "[ . 1 . 2]" 1
1133 1 76 LEU H 1 77 GLU QB 0.000 . 5.000 4.120 3.776 5.014 0.014 4 0 "[ . 1 . 2]" 1
1134 1 76 LEU HA 1 77 GLU H 0.000 . 3.500 3.542 3.469 3.581 0.081 10 0 "[ . 1 . 2]" 1
1135 1 76 LEU QB 1 77 GLU H 0.000 . 4.400 2.522 2.191 3.526 . 0 0 "[ . 1 . 2]" 1
1136 1 76 LEU HG 1 77 GLU H 0.000 . 5.000 3.852 2.084 4.837 . 0 0 "[ . 1 . 2]" 1
1137 1 76 LEU QD 1 77 GLU H 0.000 . 4.400 3.588 3.143 3.852 . 0 0 "[ . 1 . 2]" 1
1138 1 76 LEU H 1 78 LYS H 0.000 . 5.000 3.977 3.366 4.668 . 0 0 "[ . 1 . 2]" 1
1139 1 76 LEU HA 1 78 LYS H 0.000 . 5.000 4.946 4.449 5.147 0.147 7 0 "[ . 1 . 2]" 1
1140 1 76 LEU QD 1 78 LYS H 0.000 . 5.000 5.127 4.924 5.268 0.268 18 0 "[ . 1 . 2]" 1
1141 1 76 LEU H 1 79 GLU H 0.000 . 5.000 4.964 4.418 5.093 0.093 3 0 "[ . 1 . 2]" 1
1142 1 77 GLU H 1 78 LYS H 0.000 . 3.500 2.635 2.012 2.825 . 0 0 "[ . 1 . 2]" 1
1143 1 77 GLU H 1 78 LYS HA 0.000 . 5.000 4.992 4.715 5.066 0.066 15 0 "[ . 1 . 2]" 1
1144 1 77 GLU HA 1 78 LYS H 0.000 . 3.500 3.529 3.180 3.580 0.080 15 0 "[ . 1 . 2]" 1
1145 1 77 GLU QB 1 78 LYS H 0.000 . 5.000 2.551 2.046 3.709 . 0 0 "[ . 1 . 2]" 1
1146 1 77 GLU H 1 79 GLU H 0.000 . 5.000 4.405 4.007 5.009 0.009 1 0 "[ . 1 . 2]" 1
1147 1 78 LYS H 1 79 GLU H 0.000 . 3.500 2.259 1.773 3.053 . 0 0 "[ . 1 . 2]" 1
1148 1 78 LYS H 1 79 GLU HA 0.000 . 5.000 4.646 4.505 4.953 . 0 0 "[ . 1 . 2]" 1
1149 1 78 LYS HA 1 79 GLU H 0.000 . 3.500 3.280 2.499 3.569 0.069 4 0 "[ . 1 . 2]" 1
1150 1 78 LYS QG 1 79 GLU H 0.000 . 5.000 4.157 3.281 4.579 . 0 0 "[ . 1 . 2]" 1
1151 1 79 GLU H 1 80 PRO QD 0.000 . 4.400 4.119 3.453 4.384 . 0 0 "[ . 1 . 2]" 1
1152 1 79 GLU HA 1 80 PRO QD 0.000 . 2.400 1.971 1.838 2.337 . 0 0 "[ . 1 . 2]" 1
1153 1 79 GLU HA 1 80 PRO QG 0.000 . 4.400 3.884 3.753 4.267 . 0 0 "[ . 1 . 2]" 1
1154 1 79 GLU QB 1 80 PRO QD 0.000 . 3.900 3.129 1.795 3.664 . 0 0 "[ . 1 . 2]" 1
1155 1 80 PRO HA 1 81 VAL H 0.000 . 3.500 2.614 2.309 2.869 . 0 0 "[ . 1 . 2]" 1
1156 1 80 PRO HA 1 81 VAL MG2 0.000 . 5.000 3.247 2.836 3.534 . 0 0 "[ . 1 . 2]" 1
1157 1 80 PRO QB 1 81 VAL H 0.000 . 3.100 2.339 1.835 3.024 . 0 0 "[ . 1 . 2]" 1
1158 1 81 VAL H 1 82 PRO QD 0.000 . 4.400 4.162 3.970 4.393 . 0 0 "[ . 1 . 2]" 1
1159 1 81 VAL H 1 82 PRO HA 0.000 . 5.000 4.958 4.795 5.119 0.119 17 0 "[ . 1 . 2]" 1
1160 1 81 VAL HA 1 82 PRO QD 0.000 . 2.400 1.901 1.831 2.001 . 0 0 "[ . 1 . 2]" 1
1161 1 81 VAL HA 1 82 PRO QG 0.000 . 4.400 3.836 3.792 3.943 . 0 0 "[ . 1 . 2]" 1
1162 1 81 VAL HA 1 82 PRO HA 0.000 . 5.000 4.458 4.395 4.513 . 0 0 "[ . 1 . 2]" 1
1163 1 81 VAL MG1 1 82 PRO HA 0.000 . 5.000 4.134 3.807 4.910 . 0 0 "[ . 1 . 2]" 1
1164 1 81 VAL MG1 1 82 PRO QD 0.000 . 2.700 2.229 1.712 2.697 . 0 0 "[ . 1 . 2]" 1
1165 1 81 VAL MG2 1 82 PRO QD 0.000 . 4.400 3.479 3.062 3.980 . 0 0 "[ . 1 . 2]" 1
1166 1 81 VAL MG1 1 82 PRO QG 0.000 . 4.400 3.798 3.130 4.418 0.018 20 0 "[ . 1 . 2]" 1
1167 1 82 PRO HA 1 83 MET H 0.000 . 2.700 2.651 2.251 2.866 0.166 17 0 "[ . 1 . 2]" 1
1168 1 82 PRO QB 1 83 MET H 0.000 . 3.500 2.259 1.805 3.246 . 0 0 "[ . 1 . 2]" 1
1169 1 82 PRO QG 1 83 MET H 0.000 . 5.000 3.916 3.492 4.690 . 0 0 "[ . 1 . 2]" 1
1170 1 82 PRO HA 1 84 SER H 0.000 . 5.000 4.254 3.693 4.554 . 0 0 "[ . 1 . 2]" 1
1171 1 82 PRO QB 1 84 SER H 0.000 . 2.700 2.289 2.178 2.409 . 0 0 "[ . 1 . 2]" 1
1172 1 82 PRO QG 1 84 SER H 0.000 . 3.500 3.076 2.743 3.521 0.021 20 0 "[ . 1 . 2]" 1
1173 1 82 PRO QD 1 84 SER H 0.000 . 4.400 4.433 4.155 4.519 0.119 20 0 "[ . 1 . 2]" 1
1174 1 83 MET H 1 84 SER H 0.000 . 2.700 2.382 2.035 2.813 0.113 20 0 "[ . 1 . 2]" 1
1175 1 83 MET HA 1 84 SER H 0.000 . 3.500 3.234 3.159 3.368 . 0 0 "[ . 1 . 2]" 1
1176 1 83 MET QB 1 84 SER H 0.000 . 3.500 3.532 3.252 3.803 0.303 12 0 "[ . 1 . 2]" 1
1177 1 83 MET QG 1 84 SER H 0.000 . 4.400 4.016 2.960 4.395 . 0 0 "[ . 1 . 2]" 1
1178 1 83 MET QB 1 85 LEU H 0.000 . 5.000 5.222 5.020 5.372 0.372 20 0 "[ . 1 . 2]" 1
1179 1 84 SER H 1 85 LEU H 0.000 . 5.000 3.719 1.823 4.471 . 0 0 "[ . 1 . 2]" 1
1180 1 84 SER HA 1 85 LEU H 0.000 . 2.700 2.331 2.113 3.030 0.330 8 0 "[ . 1 . 2]" 1
1181 1 84 SER QB 1 85 LEU H 0.000 . 3.500 3.611 3.289 3.697 0.197 4 0 "[ . 1 . 2]" 1
1182 1 84 SER H 1 86 PRO QD 0.000 . 4.400 4.442 4.118 4.577 0.177 11 0 "[ . 1 . 2]" 1
1183 1 85 LEU H 1 86 PRO QD 0.000 . 4.400 3.803 3.369 4.074 . 0 0 "[ . 1 . 2]" 1
1184 1 85 LEU HA 1 86 PRO QD 0.000 . 2.400 1.879 1.823 1.930 . 0 0 "[ . 1 . 2]" 1
1185 1 85 LEU HA 1 86 PRO QG 0.000 . 5.000 3.787 3.740 3.840 . 0 0 "[ . 1 . 2]" 1
1186 1 85 LEU QD 1 86 PRO QG 0.000 . 4.400 3.418 3.089 3.808 . 0 0 "[ . 1 . 2]" 1
1187 1 85 LEU QD 1 86 PRO QD 0.000 . 3.900 2.394 1.817 2.968 . 0 0 "[ . 1 . 2]" 1
1188 1 85 LEU HA 1 89 LEU QD 0.000 . 5.000 3.526 2.272 4.873 . 0 0 "[ . 1 . 2]" 1
1189 1 85 LEU QD 1 89 LEU QB 0.000 . 3.900 2.729 1.663 3.784 . 0 0 "[ . 1 . 2]" 1
1190 1 85 LEU QD 1 89 LEU HG 0.000 . 4.400 3.097 1.769 4.329 . 0 0 "[ . 1 . 2]" 1
1191 1 85 LEU QD 1 89 LEU QD 0.000 . 4.400 2.310 1.587 3.486 . 0 0 "[ . 1 . 2]" 1
1192 1 85 LEU QD 1 90 VAL HA 0.000 . 4.400 3.488 3.011 3.958 . 0 0 "[ . 1 . 2]" 1
1193 1 86 PRO HA 1 87 PRO QD 0.000 . 2.400 2.080 1.948 2.243 . 0 0 "[ . 1 . 2]" 1
1194 1 86 PRO HA 1 87 PRO QG 0.000 . 4.400 4.002 3.854 4.174 . 0 0 "[ . 1 . 2]" 1
1195 1 86 PRO QB 1 87 PRO QD 0.000 . 3.900 2.250 1.818 2.639 . 0 0 "[ . 1 . 2]" 1
1196 1 86 PRO QB 1 88 ALA H 0.000 . 4.400 2.295 2.175 2.483 . 0 0 "[ . 1 . 2]" 1
1197 1 86 PRO QG 1 88 ALA MB 0.000 . 5.000 3.411 2.428 4.104 . 0 0 "[ . 1 . 2]" 1
1198 1 86 PRO QB 1 89 LEU H 0.000 . 4.400 3.708 2.952 4.232 . 0 0 "[ . 1 . 2]" 1
1199 1 86 PRO QG 1 89 LEU QB 0.000 . 4.400 2.643 1.725 3.815 . 0 0 "[ . 1 . 2]" 1
1200 1 86 PRO QG 1 89 LEU QD 0.000 . 4.400 2.048 1.697 3.211 . 0 0 "[ . 1 . 2]" 1
1201 1 86 PRO QD 1 89 LEU QB 0.000 . 4.400 3.353 2.232 4.378 . 0 0 "[ . 1 . 2]" 1
1202 1 86 PRO QD 1 89 LEU QD 0.000 . 3.900 2.444 1.721 3.383 . 0 0 "[ . 1 . 2]" 1
1203 1 87 PRO HA 1 88 ALA H 0.000 . 3.500 3.400 3.299 3.512 0.012 3 0 "[ . 1 . 2]" 1
1204 1 87 PRO QB 1 88 ALA H 0.000 . 3.500 3.563 3.346 3.691 0.191 7 0 "[ . 1 . 2]" 1
1205 1 87 PRO QD 1 88 ALA H 0.000 . 3.500 2.713 2.491 2.900 . 0 0 "[ . 1 . 2]" 1
1206 1 87 PRO QG 1 88 ALA H 0.000 . 5.000 3.014 2.646 3.307 . 0 0 "[ . 1 . 2]" 1
1207 1 87 PRO QG 1 88 ALA MB 0.000 . 5.000 3.581 3.317 3.816 . 0 0 "[ . 1 . 2]" 1
1208 1 87 PRO HA 1 89 LEU H 0.000 . 5.000 3.500 3.226 3.945 . 0 0 "[ . 1 . 2]" 1
1209 1 87 PRO HA 1 89 LEU QD 0.000 . 5.000 4.983 4.456 5.247 0.247 17 0 "[ . 1 . 2]" 1
1210 1 87 PRO QG 1 89 LEU H 0.000 . 5.000 4.972 4.772 5.071 0.071 15 0 "[ . 1 . 2]" 1
1211 1 87 PRO HA 1 90 VAL H 0.000 . 5.000 3.503 2.957 4.810 . 0 0 "[ . 1 . 2]" 1
1212 1 87 PRO HA 1 90 VAL QG 0.000 . 3.100 2.351 1.786 3.086 . 0 0 "[ . 1 . 2]" 1
1213 1 88 ALA H 1 89 LEU H 0.000 . 3.500 2.452 1.943 2.636 . 0 0 "[ . 1 . 2]" 1
1214 1 88 ALA HA 1 89 LEU H 0.000 . 3.500 3.320 3.049 3.438 . 0 0 "[ . 1 . 2]" 1
1215 1 88 ALA MB 1 89 LEU H 0.000 . 3.500 3.197 2.887 3.508 0.008 1 0 "[ . 1 . 2]" 1
1216 1 88 ALA H 1 89 LEU HA 0.000 . 5.000 5.064 4.726 5.179 0.179 14 0 "[ . 1 . 2]" 1
1217 1 88 ALA H 1 89 LEU QD 0.000 . 4.400 3.777 2.721 4.661 0.261 7 0 "[ . 1 . 2]" 1
1218 1 88 ALA MB 1 89 LEU QD 0.000 . 5.000 3.262 2.069 4.558 . 0 0 "[ . 1 . 2]" 1
1219 1 88 ALA H 1 90 VAL H 0.000 . 5.000 4.176 3.527 4.816 . 0 0 "[ . 1 . 2]" 1
1220 1 88 ALA HA 1 90 VAL H 0.000 . 5.000 4.083 3.772 4.560 . 0 0 "[ . 1 . 2]" 1
1221 1 89 LEU H 1 90 VAL H 0.000 . 3.500 2.191 1.833 2.666 . 0 0 "[ . 1 . 2]" 1
1222 1 89 LEU H 1 90 VAL HA 0.000 . 5.000 4.689 4.438 4.919 . 0 0 "[ . 1 . 2]" 1
1223 1 89 LEU HA 1 90 VAL H 0.000 . 3.500 3.243 2.833 3.511 0.011 17 0 "[ . 1 . 2]" 1
1224 1 89 LEU QB 1 90 VAL H 0.000 . 4.400 3.435 2.764 4.084 . 0 0 "[ . 1 . 2]" 1
1225 1 90 VAL HA 1 91 PRO QD 0.000 . 3.100 1.945 1.888 2.018 . 0 0 "[ . 1 . 2]" 1
1226 1 90 VAL QG 1 91 PRO QD 0.000 . 3.900 2.208 1.796 3.220 . 0 0 "[ . 1 . 2]" 1
1227 1 90 VAL QG 1 94 LYS QB 0.000 . 4.400 2.341 1.681 3.439 . 0 0 "[ . 1 . 2]" 1
1228 1 90 VAL QG 1 95 ARG H 0.000 . 5.000 4.462 3.290 5.021 0.021 6 0 "[ . 1 . 2]" 1
1229 1 90 VAL HB 1 95 ARG HE 0.000 . 5.000 4.455 3.746 5.013 0.013 18 0 "[ . 1 . 2]" 1
1230 1 90 VAL QG 1 95 ARG HE 0.000 . 5.000 3.104 1.891 3.919 . 0 0 "[ . 1 . 2]" 1
1231 1 92 PRO HA 1 93 SER H 0.000 . 5.000 3.188 2.290 3.501 . 0 0 "[ . 1 . 2]" 1
1232 1 92 PRO QB 1 93 SER H 0.000 . 4.400 3.338 2.071 3.810 . 0 0 "[ . 1 . 2]" 1
1233 1 92 PRO HA 1 94 LYS H 0.000 . 5.000 3.820 3.503 4.810 . 0 0 "[ . 1 . 2]" 1
1234 1 92 PRO HA 1 95 ARG H 0.000 . 3.500 3.559 3.490 3.645 0.145 19 0 "[ . 1 . 2]" 1
1235 1 92 PRO HA 1 95 ARG QD 0.000 . 3.500 2.682 1.805 3.531 0.031 17 0 "[ . 1 . 2]" 1
1236 1 92 PRO HA 1 95 ARG HE 0.000 . 5.000 3.149 1.854 4.738 . 0 0 "[ . 1 . 2]" 1
1237 1 93 SER H 1 94 LYS H 0.000 . 5.000 2.617 1.863 3.451 . 0 0 "[ . 1 . 2]" 1
1238 1 93 SER HA 1 94 LYS H 0.000 . 3.500 3.489 3.366 3.566 0.066 14 0 "[ . 1 . 2]" 1
1239 1 93 SER QB 1 94 LYS H 0.000 . 5.000 3.023 2.366 3.750 . 0 0 "[ . 1 . 2]" 1
1240 1 93 SER H 1 95 ARG H 0.000 . 5.000 3.687 2.374 4.148 . 0 0 "[ . 1 . 2]" 1
1241 1 93 SER HA 1 95 ARG H 0.000 . 3.500 3.619 3.527 3.686 0.186 17 0 "[ . 1 . 2]" 1
1242 1 94 LYS H 1 95 ARG H 0.000 . 2.700 2.474 2.312 2.644 . 0 0 "[ . 1 . 2]" 1
1243 1 94 LYS HA 1 95 ARG H 0.000 . 3.500 3.264 3.128 3.388 . 0 0 "[ . 1 . 2]" 1
1244 1 94 LYS QB 1 95 ARG H 0.000 . 3.500 3.423 3.227 3.574 0.074 17 0 "[ . 1 . 2]" 1
1245 1 2 TRP HH2 1 9 LYS QE 0.000 . 4.400 2.673 1.944 3.746 . 0 0 "[ . 1 . 2]" 1
1246 1 2 TRP HH2 1 9 LYS QD 0.000 . 5.000 3.121 1.730 4.302 . 0 0 "[ . 1 . 2]" 1
1247 1 2 TRP HZ3 1 9 LYS QE 0.000 . 4.400 3.052 1.920 4.360 . 0 0 "[ . 1 . 2]" 1
1248 1 2 TRP HH2 1 63 ASP HA 0.000 . 3.500 2.817 2.109 3.359 . 0 0 "[ . 1 . 2]" 1
1249 1 2 TRP HZ2 1 63 ASP HA 0.000 . 5.000 4.282 3.844 4.948 . 0 0 "[ . 1 . 2]" 1
1250 1 2 TRP HH2 1 66 ALA MB 0.000 . 3.500 2.302 1.772 3.096 . 0 0 "[ . 1 . 2]" 1
1251 1 2 TRP HZ2 1 66 ALA MB 0.000 . 3.500 2.536 2.036 3.011 . 0 0 "[ . 1 . 2]" 1
1252 1 2 TRP HD1 1 67 VAL MG2 0.000 . 5.000 4.733 4.296 4.999 . 0 0 "[ . 1 . 2]" 1
1253 1 2 TRP HE1 1 67 VAL MG2 0.000 . 2.700 2.516 1.990 2.797 0.097 15 0 "[ . 1 . 2]" 1
1254 1 2 TRP HE1 1 67 VAL MG1 0.000 . 5.000 3.935 3.205 4.552 . 0 0 "[ . 1 . 2]" 1
1255 1 2 TRP HH2 1 67 VAL MG2 0.000 . 5.000 3.866 3.338 4.492 . 0 0 "[ . 1 . 2]" 1
1256 1 2 TRP HZ2 1 67 VAL MG2 0.000 . 3.500 2.055 1.712 2.645 . 0 0 "[ . 1 . 2]" 1
1257 1 2 TRP HZ2 1 67 VAL MG1 0.000 . 5.000 4.455 3.892 4.961 . 0 0 "[ . 1 . 2]" 1
1258 1 2 TRP HA 1 88 ALA HA 0.000 . 5.000 4.144 3.574 4.996 . 0 0 "[ . 1 . 2]" 1
1259 1 2 TRP HA 1 88 ALA MB 0.000 . 5.000 4.460 3.952 5.006 0.006 14 0 "[ . 1 . 2]" 1
1260 1 2 TRP HA 1 89 LEU HA 0.000 . 5.000 3.786 3.219 4.570 . 0 0 "[ . 1 . 2]" 1
1261 1 2 TRP HD1 1 89 LEU HA 0.000 . 3.500 2.094 1.757 2.777 . 0 0 "[ . 1 . 2]" 1
1262 1 2 TRP HD1 1 89 LEU H 0.000 . 5.000 4.426 3.998 4.843 . 0 0 "[ . 1 . 2]" 1
1263 1 2 TRP HE1 1 89 LEU HA 0.000 . 2.700 2.568 2.074 2.786 0.086 7 0 "[ . 1 . 2]" 1
1264 1 2 TRP HE1 1 89 LEU QD 0.000 . 3.500 2.641 1.690 3.545 0.045 20 0 "[ . 1 . 2]" 1
1265 1 2 TRP HA 1 90 VAL H 0.000 . 5.000 4.976 4.658 5.083 0.083 12 0 "[ . 1 . 2]" 1
1266 1 2 TRP HD1 1 90 VAL H 0.000 . 5.000 4.097 3.538 4.387 . 0 0 "[ . 1 . 2]" 1
1267 1 2 TRP HE1 1 90 VAL H 0.000 . 5.000 4.555 3.564 4.989 . 0 0 "[ . 1 . 2]" 1
1268 1 2 TRP HE1 1 90 VAL HA 0.000 . 5.000 4.383 3.747 4.931 . 0 0 "[ . 1 . 2]" 1
1269 1 3 ALA MB 1 67 VAL HA 0.000 . 5.000 4.955 4.598 5.114 0.114 17 0 "[ . 1 . 2]" 1
1270 1 3 ALA MB 1 70 PHE QE 0.000 . 3.500 3.391 2.893 3.557 0.057 8 0 "[ . 1 . 2]" 1
1271 1 3 ALA MB 1 70 PHE HZ 0.000 . 3.500 3.475 3.296 3.606 0.106 17 0 "[ . 1 . 2]" 1
1272 1 3 ALA H 1 88 ALA HA 0.000 . 5.000 3.978 3.324 4.391 . 0 0 "[ . 1 . 2]" 1
1273 1 3 ALA H 1 88 ALA MB 0.000 . 5.000 3.364 3.013 3.778 . 0 0 "[ . 1 . 2]" 1
1274 1 3 ALA HA 1 88 ALA MB 0.000 . 5.000 3.888 3.563 4.209 . 0 0 "[ . 1 . 2]" 1
1275 1 3 ALA HA 1 89 LEU HA 0.000 . 5.000 4.794 4.128 5.126 0.126 8 0 "[ . 1 . 2]" 1
1276 1 3 ALA MB 1 88 ALA HA 0.000 . 5.000 4.391 3.695 4.738 . 0 0 "[ . 1 . 2]" 1
1277 1 3 ALA MB 1 88 ALA MB 0.000 . 2.700 2.689 2.196 2.801 0.101 8 0 "[ . 1 . 2]" 1
1278 1 3 ALA MB 1 89 LEU HA 0.000 . 2.700 2.332 1.812 2.743 0.043 15 0 "[ . 1 . 2]" 1
1279 1 3 ALA MB 1 89 LEU QB 0.000 . 4.400 2.667 1.565 3.863 . 0 0 "[ . 1 . 2]" 1
1280 1 3 ALA MB 1 89 LEU HG 0.000 . 5.000 3.513 1.931 4.090 . 0 0 "[ . 1 . 2]" 1
1281 1 3 ALA MB 1 89 LEU QD 0.000 . 2.700 1.937 1.393 2.738 0.038 13 0 "[ . 1 . 2]" 1
1282 1 4 VAL MG1 1 12 TYR QD 0.000 . 3.500 2.612 2.164 2.940 . 0 0 "[ . 1 . 2]" 1
1283 1 4 VAL MG1 1 12 TYR QE 0.000 . 2.700 2.422 1.784 2.708 0.008 15 0 "[ . 1 . 2]" 1
1284 1 4 VAL MG2 1 12 TYR QE 0.000 . 5.000 2.374 2.030 2.907 . 0 0 "[ . 1 . 2]" 1
1285 1 4 VAL QG 1 66 ALA HA 0.000 . 5.000 3.760 3.523 3.934 . 0 0 "[ . 1 . 2]" 1
1286 1 4 VAL HB 1 66 ALA MB 0.000 . 5.000 4.028 3.635 4.334 . 0 0 "[ . 1 . 2]" 1
1287 1 4 VAL QG 1 66 ALA MB 0.000 . 2.700 2.351 1.955 2.536 . 0 0 "[ . 1 . 2]" 1
1288 1 4 VAL QG 1 66 ALA H 0.000 . 5.000 4.874 4.577 5.034 0.034 19 0 "[ . 1 . 2]" 1
1289 1 4 VAL MG2 1 67 VAL H 0.000 . 5.000 3.866 3.490 4.210 . 0 0 "[ . 1 . 2]" 1
1290 1 4 VAL MG2 1 67 VAL HA 0.000 . 3.500 2.510 2.148 2.717 . 0 0 "[ . 1 . 2]" 1
1291 1 4 VAL MG2 1 67 VAL MG2 0.000 . 3.500 3.022 2.747 3.230 . 0 0 "[ . 1 . 2]" 1
1292 1 4 VAL MG2 1 70 PHE H 0.000 . 5.000 3.702 3.551 3.858 . 0 0 "[ . 1 . 2]" 1
1293 1 4 VAL MG2 1 70 PHE HA 0.000 . 5.000 5.016 4.922 5.072 0.072 8 0 "[ . 1 . 2]" 1
1294 1 4 VAL MG2 1 70 PHE QB 0.000 . 5.000 2.660 2.537 2.779 . 0 0 "[ . 1 . 2]" 1
1295 1 4 VAL HA 1 89 LEU QD 0.000 . 5.000 4.797 4.419 5.116 0.116 17 0 "[ . 1 . 2]" 1
1296 1 4 VAL MG2 1 89 LEU QD 0.000 . 2.700 2.608 2.147 2.881 0.181 17 0 "[ . 1 . 2]" 1
1297 1 5 LYS H 1 12 TYR QE 0.000 . 5.000 4.680 4.119 5.020 0.020 2 0 "[ . 1 . 2]" 1
1298 1 9 LYS QE 1 63 ASP HA 0.000 . 3.500 2.250 1.833 2.872 . 0 0 "[ . 1 . 2]" 1
1299 1 9 LYS HA 1 66 ALA MB 0.000 . 5.000 2.827 2.488 3.019 . 0 0 "[ . 1 . 2]" 1
1300 1 9 LYS QD 1 66 ALA MB 0.000 . 4.400 2.775 1.690 3.985 . 0 0 "[ . 1 . 2]" 1
1301 1 9 LYS QE 1 66 ALA MB 0.000 . 3.100 2.523 1.651 3.039 . 0 0 "[ . 1 . 2]" 1
1302 1 12 TYR QB 1 66 ALA HA 0.000 . 4.400 1.905 1.787 2.226 . 0 0 "[ . 1 . 2]" 1
1303 1 12 TYR QB 1 66 ALA MB 0.000 . 4.400 2.688 2.469 2.894 . 0 0 "[ . 1 . 2]" 1
1304 1 12 TYR QB 1 66 ALA H 0.000 . 5.000 3.950 3.766 4.199 . 0 0 "[ . 1 . 2]" 1
1305 1 12 TYR QD 1 66 ALA H 0.000 . 5.000 4.526 4.359 4.751 . 0 0 "[ . 1 . 2]" 1
1306 1 12 TYR QD 1 66 ALA HA 0.000 . 3.500 2.067 1.852 2.320 . 0 0 "[ . 1 . 2]" 1
1307 1 12 TYR QD 1 66 ALA MB 0.000 . 3.500 1.926 1.836 2.278 . 0 0 "[ . 1 . 2]" 1
1308 1 12 TYR QE 1 66 ALA HA 0.000 . 5.000 4.001 3.698 4.272 . 0 0 "[ . 1 . 2]" 1
1309 1 12 TYR QE 1 66 ALA MB 0.000 . 5.000 3.728 3.465 4.077 . 0 0 "[ . 1 . 2]" 1
1310 1 12 TYR QD 1 67 VAL H 0.000 . 5.000 4.500 4.245 4.763 . 0 0 "[ . 1 . 2]" 1
1311 1 12 TYR QD 1 69 MET H 0.000 . 5.000 4.123 3.934 4.456 . 0 0 "[ . 1 . 2]" 1
1312 1 12 TYR QE 1 69 MET H 0.000 . 5.000 4.195 3.986 4.504 . 0 0 "[ . 1 . 2]" 1
1313 1 12 TYR QD 1 69 MET QB 0.000 . 5.000 2.562 2.391 2.838 . 0 0 "[ . 1 . 2]" 1
1314 1 12 TYR QD 1 69 MET QG 0.000 . 4.400 2.888 2.580 3.130 . 0 0 "[ . 1 . 2]" 1
1315 1 12 TYR QD 1 69 MET ME 0.000 . 5.000 4.297 3.762 4.614 . 0 0 "[ . 1 . 2]" 1
1316 1 12 TYR QE 1 69 MET QB 0.000 . 5.000 2.528 2.400 2.672 . 0 0 "[ . 1 . 2]" 1
1317 1 12 TYR QE 1 69 MET QG 0.000 . 4.400 3.960 3.702 4.223 . 0 0 "[ . 1 . 2]" 1
1318 1 12 TYR QE 1 69 MET ME 0.000 . 5.000 4.711 4.186 5.031 0.031 10 0 "[ . 1 . 2]" 1
1319 1 12 TYR QD 1 70 PHE H 0.000 . 5.000 4.215 3.877 4.619 . 0 0 "[ . 1 . 2]" 1
1320 1 12 TYR QE 1 70 PHE H 0.000 . 5.000 2.960 2.719 3.458 . 0 0 "[ . 1 . 2]" 1
1321 1 12 TYR QE 1 70 PHE HA 0.000 . 5.000 3.961 3.687 4.430 . 0 0 "[ . 1 . 2]" 1
1322 1 12 TYR QE 1 70 PHE QB 0.000 . 4.400 2.201 1.930 2.819 . 0 0 "[ . 1 . 2]" 1
1323 1 12 TYR QE 1 70 PHE QD 0.000 . 5.000 2.971 2.802 3.117 . 0 0 "[ . 1 . 2]" 1
1324 1 12 TYR QE 1 70 PHE QE 0.000 . 5.000 5.091 5.042 5.127 0.127 7 0 "[ . 1 . 2]" 1
1325 1 15 ILE MG 1 34 VAL MG2 0.000 . 3.500 2.317 1.865 2.646 . 0 0 "[ . 1 . 2]" 1
1326 1 15 ILE MG 1 34 VAL MG1 0.000 . 2.700 2.282 1.828 2.573 . 0 0 "[ . 1 . 2]" 1
1327 1 15 ILE MD 1 34 VAL QG 0.000 . 5.000 3.682 3.362 3.989 . 0 0 "[ . 1 . 2]" 1
1328 1 15 ILE HB 1 65 PHE QD 0.000 . 5.000 3.998 3.711 4.288 . 0 0 "[ . 1 . 2]" 1
1329 1 15 ILE HB 1 65 PHE QE 0.000 . 5.000 2.445 1.995 2.956 . 0 0 "[ . 1 . 2]" 1
1330 1 15 ILE MG 1 65 PHE QE 0.000 . 2.700 1.811 1.719 2.003 . 0 0 "[ . 1 . 2]" 1
1331 1 15 ILE MG 1 65 PHE HZ 0.000 . 2.700 1.897 1.727 2.094 . 0 0 "[ . 1 . 2]" 1
1332 1 15 ILE MD 1 65 PHE QE 0.000 . 3.500 3.300 3.006 3.514 0.014 14 0 "[ . 1 . 2]" 1
1333 1 15 ILE MD 1 65 PHE HZ 0.000 . 5.000 4.552 4.126 4.973 . 0 0 "[ . 1 . 2]" 1
1334 1 15 ILE MD 1 69 MET ME 0.000 . 2.700 2.681 2.384 2.741 0.041 10 0 "[ . 1 . 2]" 1
1335 1 16 PHE QE 1 22 VAL H 0.000 . 5.000 4.805 4.551 5.025 0.025 2 0 "[ . 1 . 2]" 1
1336 1 16 PHE HZ 1 22 VAL H 0.000 . 5.000 4.791 4.309 5.015 0.015 18 0 "[ . 1 . 2]" 1
1337 1 16 PHE QE 1 24 GLY H 0.000 . 5.000 4.951 4.761 5.053 0.053 11 0 "[ . 1 . 2]" 1
1338 1 16 PHE HZ 1 24 GLY H 0.000 . 5.000 4.088 3.747 4.311 . 0 0 "[ . 1 . 2]" 1
1339 1 16 PHE QE 1 25 PHE HA 0.000 . 5.000 2.987 2.591 3.245 . 0 0 "[ . 1 . 2]" 1
1340 1 16 PHE QE 1 25 PHE H 0.000 . 5.000 3.847 3.738 4.080 . 0 0 "[ . 1 . 2]" 1
1341 1 16 PHE HZ 1 25 PHE H 0.000 . 5.000 3.748 3.172 4.078 . 0 0 "[ . 1 . 2]" 1
1342 1 16 PHE HZ 1 25 PHE HA 0.000 . 5.000 4.582 3.908 4.914 . 0 0 "[ . 1 . 2]" 1
1343 1 16 PHE QE 1 26 LEU H 0.000 . 5.000 3.702 3.231 4.017 . 0 0 "[ . 1 . 2]" 1
1344 1 16 PHE H 1 26 LEU MD1 0.000 . 5.000 4.092 4.023 4.199 . 0 0 "[ . 1 . 2]" 1
1345 1 16 PHE HA 1 26 LEU MD1 0.000 . 2.700 1.745 1.682 1.845 . 0 0 "[ . 1 . 2]" 1
1346 1 16 PHE QB 1 26 LEU MD1 0.000 . 4.400 2.538 2.354 2.721 . 0 0 "[ . 1 . 2]" 1
1347 1 16 PHE QE 1 26 LEU HG 0.000 . 5.000 2.846 2.565 2.998 . 0 0 "[ . 1 . 2]" 1
1348 1 16 PHE QE 1 26 LEU MD2 0.000 . 5.000 3.947 3.791 4.069 . 0 0 "[ . 1 . 2]" 1
1349 1 16 PHE QE 1 26 LEU MD1 0.000 . 5.000 3.904 3.712 4.022 . 0 0 "[ . 1 . 2]" 1
1350 1 16 PHE HZ 1 61 ASP HA 0.000 . 5.000 4.409 3.809 4.950 . 0 0 "[ . 1 . 2]" 1
1351 1 16 PHE QE 1 61 ASP HA 0.000 . 5.000 2.416 1.883 2.907 . 0 0 "[ . 1 . 2]" 1
1352 1 16 PHE QE 1 62 ARG H 0.000 . 5.000 2.298 1.995 2.650 . 0 0 "[ . 1 . 2]" 1
1353 1 16 PHE HZ 1 62 ARG H 0.000 . 5.000 3.287 2.836 3.794 . 0 0 "[ . 1 . 2]" 1
1354 1 16 PHE QE 1 63 ASP H 0.000 . 5.000 4.946 4.726 5.042 0.042 2 0 "[ . 1 . 2]" 1
1355 1 16 PHE QE 1 65 PHE H 0.000 . 5.000 4.948 4.635 5.054 0.054 11 0 "[ . 1 . 2]" 1
1356 1 16 PHE H 1 65 PHE QD 0.000 . 5.000 3.887 3.397 4.376 . 0 0 "[ . 1 . 2]" 1
1357 1 16 PHE H 1 65 PHE QE 0.000 . 5.000 3.546 3.107 4.070 . 0 0 "[ . 1 . 2]" 1
1358 1 16 PHE H 1 65 PHE HZ 0.000 . 5.000 4.767 4.355 5.051 0.051 1 0 "[ . 1 . 2]" 1
1359 1 17 ASP H 1 26 LEU MD2 0.000 . 5.000 5.053 5.008 5.100 0.100 19 0 "[ . 1 . 2]" 1
1360 1 19 LEU H 1 26 LEU QD 0.000 . 5.000 3.099 2.859 3.285 . 0 0 "[ . 1 . 2]" 1
1361 1 19 LEU HA 1 26 LEU QD 0.000 . 5.000 4.189 4.003 4.368 . 0 0 "[ . 1 . 2]" 1
1362 1 19 LEU QB 1 26 LEU MD2 0.000 . 3.100 2.073 1.898 2.214 . 0 0 "[ . 1 . 2]" 1
1363 1 19 LEU QB 1 26 LEU MD1 0.000 . 4.400 2.598 2.418 2.778 . 0 0 "[ . 1 . 2]" 1
1364 1 19 LEU MD2 1 26 LEU QB 0.000 . 5.000 5.161 5.100 5.258 0.258 5 0 "[ . 1 . 2]" 1
1365 1 19 LEU MD1 1 26 LEU QB 0.000 . 5.000 2.881 2.701 3.163 . 0 0 "[ . 1 . 2]" 1
1366 1 19 LEU MD1 1 26 LEU QD 0.000 . 2.700 1.530 1.514 1.574 . 0 0 "[ . 1 . 2]" 1
1367 1 19 LEU QD 1 31 VAL HA 0.000 . 5.000 2.895 2.597 3.148 . 0 0 "[ . 1 . 2]" 1
1368 1 19 LEU MD1 1 31 VAL MG2 0.000 . 3.500 2.878 2.542 3.132 . 0 0 "[ . 1 . 2]" 1
1369 1 19 LEU MD2 1 34 VAL HB 0.000 . 5.000 3.968 3.774 4.303 . 0 0 "[ . 1 . 2]" 1
1370 1 19 LEU MD1 1 34 VAL HB 0.000 . 5.000 3.407 3.099 3.754 . 0 0 "[ . 1 . 2]" 1
1371 1 19 LEU MD2 1 34 VAL MG2 0.000 . 2.700 1.871 1.722 2.162 . 0 0 "[ . 1 . 2]" 1
1372 1 19 LEU MD1 1 34 VAL QG 0.000 . 2.700 1.771 1.677 1.989 . 0 0 "[ . 1 . 2]" 1
1373 1 19 LEU MD1 1 65 PHE QD 0.000 . 3.500 3.489 3.345 3.564 0.064 14 0 "[ . 1 . 2]" 1
1374 1 19 LEU MD1 1 65 PHE QE 0.000 . 3.500 2.167 1.905 2.492 . 0 0 "[ . 1 . 2]" 1
1375 1 19 LEU MD1 1 65 PHE HZ 0.000 . 5.000 2.588 2.199 3.016 . 0 0 "[ . 1 . 2]" 1
1376 1 20 SER H 1 26 LEU MD2 0.000 . 5.000 3.157 2.321 3.508 . 0 0 "[ . 1 . 2]" 1
1377 1 20 SER HA 1 26 LEU MD2 0.000 . 5.000 4.209 3.945 4.389 . 0 0 "[ . 1 . 2]" 1
1378 1 20 SER QB 1 26 LEU MD2 0.000 . 5.000 4.100 3.666 4.544 . 0 0 "[ . 1 . 2]" 1
1379 1 20 SER QB 1 30 LYS QE 0.000 . 3.500 2.740 2.164 3.508 0.008 7 0 "[ . 1 . 2]" 1
1380 1 22 VAL QG 1 30 LYS QE 0.000 . 3.500 3.335 2.729 3.537 0.037 10 0 "[ . 1 . 2]" 1
1381 1 22 VAL QG 1 59 MET ME 0.000 . 5.000 2.957 2.454 3.669 . 0 0 "[ . 1 . 2]" 1
1382 1 25 PHE HA 1 59 MET QB 0.000 . 5.000 3.844 3.555 4.116 . 0 0 "[ . 1 . 2]" 1
1383 1 25 PHE HA 1 59 MET ME 0.000 . 5.000 4.227 3.428 5.016 0.016 19 0 "[ . 1 . 2]" 1
1384 1 25 PHE QB 1 59 MET QB 0.000 . 3.100 2.394 2.038 2.685 . 0 0 "[ . 1 . 2]" 1
1385 1 25 PHE QB 1 59 MET QG 0.000 . 3.500 3.646 3.586 3.727 0.227 10 0 "[ . 1 . 2]" 1
1386 1 25 PHE QB 1 59 MET ME 0.000 . 5.000 2.158 1.666 2.749 . 0 0 "[ . 1 . 2]" 1
1387 1 25 PHE QD 1 59 MET ME 0.000 . 5.000 3.873 3.254 4.506 . 0 0 "[ . 1 . 2]" 1
1388 1 25 PHE HA 1 60 LEU H 0.000 . 5.000 4.305 3.987 4.681 . 0 0 "[ . 1 . 2]" 1
1389 1 25 PHE H 1 61 ASP HA 0.000 . 5.000 4.316 4.026 4.800 . 0 0 "[ . 1 . 2]" 1
1390 1 25 PHE HA 1 61 ASP HA 0.000 . 2.700 1.885 1.811 2.090 . 0 0 "[ . 1 . 2]" 1
1391 1 25 PHE QB 1 61 ASP HA 0.000 . 5.000 3.960 3.771 4.050 . 0 0 "[ . 1 . 2]" 1
1392 1 25 PHE HA 1 61 ASP QB 0.000 . 4.400 3.239 2.607 3.845 . 0 0 "[ . 1 . 2]" 1
1393 1 25 PHE QE 1 61 ASP H 0.000 . 5.000 4.101 3.775 4.822 . 0 0 "[ . 1 . 2]" 1
1394 1 25 PHE QD 1 61 ASP H 0.000 . 5.000 3.251 2.969 3.694 . 0 0 "[ . 1 . 2]" 1
1395 1 25 PHE QD 1 61 ASP HA 0.000 . 3.500 3.181 2.332 3.565 0.065 7 0 "[ . 1 . 2]" 1
1396 1 25 PHE QD 1 61 ASP QB 0.000 . 4.400 2.517 2.197 3.427 . 0 0 "[ . 1 . 2]" 1
1397 1 25 PHE QE 1 61 ASP HA 0.000 . 5.000 4.409 3.985 4.844 . 0 0 "[ . 1 . 2]" 1
1398 1 25 PHE H 1 62 ARG H 0.000 . 5.000 5.065 5.021 5.101 0.101 20 0 "[ . 1 . 2]" 1
1399 1 25 PHE HA 1 62 ARG H 0.000 . 5.000 3.860 3.454 4.110 . 0 0 "[ . 1 . 2]" 1
1400 1 26 LEU QD 1 34 VAL QG 0.000 . 5.000 3.378 3.238 3.520 . 0 0 "[ . 1 . 2]" 1
1401 1 26 LEU H 1 60 LEU H 0.000 . 3.500 2.352 2.118 2.672 . 0 0 "[ . 1 . 2]" 1
1402 1 26 LEU QD 1 60 LEU H 0.000 . 5.000 4.212 4.054 4.308 . 0 0 "[ . 1 . 2]" 1
1403 1 26 LEU MD1 1 60 LEU MD1 0.000 . 5.000 4.141 3.831 4.386 . 0 0 "[ . 1 . 2]" 1
1404 1 26 LEU H 1 61 ASP H 0.000 . 5.000 4.052 3.852 4.274 . 0 0 "[ . 1 . 2]" 1
1405 1 26 LEU QD 1 65 PHE H 0.000 . 5.000 4.954 4.692 5.051 0.051 10 0 "[ . 1 . 2]" 1
1406 1 27 SER HA 1 49 TRP HH2 0.000 . 5.000 3.570 3.300 3.808 . 0 0 "[ . 1 . 2]" 1
1407 1 27 SER H 1 59 MET HA 0.000 . 5.000 4.561 4.455 4.703 . 0 0 "[ . 1 . 2]" 1
1408 1 27 SER HA 1 59 MET HA 0.000 . 2.700 2.319 2.069 2.562 . 0 0 "[ . 1 . 2]" 1
1409 1 27 SER HA 1 59 MET QB 0.000 . 4.400 3.262 2.920 3.725 . 0 0 "[ . 1 . 2]" 1
1410 1 27 SER HA 1 59 MET QG 0.000 . 2.700 2.213 1.801 2.799 0.099 18 0 "[ . 1 . 2]" 1
1411 1 27 SER HA 1 59 MET ME 0.000 . 3.500 3.052 2.223 3.449 . 0 0 "[ . 1 . 2]" 1
1412 1 27 SER HA 1 59 MET H 0.000 . 5.000 4.913 4.721 5.061 0.061 15 0 "[ . 1 . 2]" 1
1413 1 27 SER QB 1 59 MET HA 0.000 . 4.400 4.188 3.950 4.407 0.007 15 0 "[ . 1 . 2]" 1
1414 1 27 SER QB 1 59 MET QG 0.000 . 4.400 3.173 2.695 3.740 . 0 0 "[ . 1 . 2]" 1
1415 1 27 SER QB 1 59 MET ME 0.000 . 3.100 2.746 2.171 3.185 0.085 18 0 "[ . 1 . 2]" 1
1416 1 27 SER HA 1 60 LEU H 0.000 . 5.000 3.822 3.623 4.065 . 0 0 "[ . 1 . 2]" 1
1417 1 28 GLY QA 1 49 TRP HH2 0.000 . 4.400 2.941 2.716 3.165 . 0 0 "[ . 1 . 2]" 1
1418 1 28 GLY H 1 49 TRP HZ2 0.000 . 5.000 4.471 4.276 4.634 . 0 0 "[ . 1 . 2]" 1
1419 1 28 GLY QA 1 49 TRP HZ2 0.000 . 5.000 4.347 4.144 4.617 . 0 0 "[ . 1 . 2]" 1
1420 1 28 GLY H 1 49 TRP HZ3 0.000 . 5.000 3.441 3.212 3.726 . 0 0 "[ . 1 . 2]" 1
1421 1 28 GLY QA 1 49 TRP HZ3 0.000 . 4.400 1.867 1.769 1.984 . 0 0 "[ . 1 . 2]" 1
1422 1 28 GLY H 1 58 GLY QA 0.000 . 4.400 3.852 3.554 4.187 . 0 0 "[ . 1 . 2]" 1
1423 1 28 GLY H 1 59 MET HA 0.000 . 5.000 2.771 2.647 3.062 . 0 0 "[ . 1 . 2]" 1
1424 1 28 GLY H 1 59 MET QB 0.000 . 4.400 4.555 4.440 4.643 0.243 11 0 "[ . 1 . 2]" 1
1425 1 28 GLY H 1 59 MET QG 0.000 . 5.000 3.415 3.234 3.802 . 0 0 "[ . 1 . 2]" 1
1426 1 28 GLY H 1 59 MET ME 0.000 . 5.000 4.854 4.253 5.098 0.098 16 0 "[ . 1 . 2]" 1
1427 1 29 ASP H 1 49 TRP HZ3 0.000 . 5.000 5.049 4.934 5.105 0.105 5 0 "[ . 1 . 2]" 1
1428 1 30 LYS H 1 49 TRP HZ3 0.000 . 5.000 5.031 4.956 5.067 0.067 19 0 "[ . 1 . 2]" 1
1429 1 31 VAL H 1 49 TRP HZ3 0.000 . 5.000 3.818 3.728 3.895 . 0 0 "[ . 1 . 2]" 1
1430 1 31 VAL HA 1 49 TRP HZ3 0.000 . 5.000 5.002 4.820 5.082 0.082 14 0 "[ . 1 . 2]" 1
1431 1 31 VAL HB 1 49 TRP HZ3 0.000 . 3.500 2.215 2.016 2.351 . 0 0 "[ . 1 . 2]" 1
1432 1 31 VAL HB 1 49 TRP HH2 0.000 . 5.000 4.564 4.353 4.681 . 0 0 "[ . 1 . 2]" 1
1433 1 31 VAL HB 1 49 TRP HE3 0.000 . 5.000 2.935 2.734 3.141 . 0 0 "[ . 1 . 2]" 1
1434 1 31 VAL MG2 1 49 TRP HH2 0.000 . 5.000 3.936 3.705 4.141 . 0 0 "[ . 1 . 2]" 1
1435 1 31 VAL QG 1 49 TRP HZ3 0.000 . 3.500 2.148 1.891 2.382 . 0 0 "[ . 1 . 2]" 1
1436 1 31 VAL MG1 1 49 TRP HE3 0.000 . 3.500 1.872 1.805 2.072 . 0 0 "[ . 1 . 2]" 1
1437 1 31 VAL HB 1 60 LEU MD1 0.000 . 5.000 3.312 2.757 3.741 . 0 0 "[ . 1 . 2]" 1
1438 1 31 VAL QG 1 60 LEU H 0.000 . 5.000 3.090 2.867 3.359 . 0 0 "[ . 1 . 2]" 1
1439 1 31 VAL MG1 1 60 LEU QB 0.000 . 4.400 3.272 3.067 3.472 . 0 0 "[ . 1 . 2]" 1
1440 1 31 VAL MG1 1 60 LEU HG 0.000 . 5.000 3.175 2.725 3.812 . 0 0 "[ . 1 . 2]" 1
1441 1 31 VAL QG 1 60 LEU MD1 0.000 . 2.700 1.552 1.477 1.641 . 0 0 "[ . 1 . 2]" 1
1442 1 31 VAL MG2 1 65 PHE QD 0.000 . 5.000 2.043 1.864 2.279 . 0 0 "[ . 1 . 2]" 1
1443 1 31 VAL MG1 1 65 PHE QD 0.000 . 5.000 3.474 2.957 3.804 . 0 0 "[ . 1 . 2]" 1
1444 1 31 VAL MG2 1 65 PHE QE 0.000 . 5.000 1.928 1.773 2.269 . 0 0 "[ . 1 . 2]" 1
1445 1 31 VAL MG1 1 65 PHE QE 0.000 . 5.000 3.053 2.220 3.404 . 0 0 "[ . 1 . 2]" 1
1446 1 31 VAL MG2 1 65 PHE HZ 0.000 . 5.000 3.998 3.681 4.310 . 0 0 "[ . 1 . 2]" 1
1447 1 31 VAL MG1 1 68 ALA MB 0.000 . 3.500 3.192 2.907 3.415 . 0 0 "[ . 1 . 2]" 1
1448 1 31 VAL QG 1 69 MET ME 0.000 . 5.000 4.012 3.822 4.235 . 0 0 "[ . 1 . 2]" 1
1449 1 32 LYS HA 1 45 LEU MD1 0.000 . 5.000 4.238 3.823 4.611 . 0 0 "[ . 1 . 2]" 1
1450 1 32 LYS H 1 49 TRP HZ3 0.000 . 5.000 4.193 3.879 4.515 . 0 0 "[ . 1 . 2]" 1
1451 1 34 VAL MG1 1 65 PHE QD 0.000 . 5.000 4.134 3.863 4.398 . 0 0 "[ . 1 . 2]" 1
1452 1 34 VAL MG2 1 65 PHE QE 0.000 . 5.000 2.858 2.511 3.229 . 0 0 "[ . 1 . 2]" 1
1453 1 34 VAL MG1 1 65 PHE QE 0.000 . 5.000 2.623 2.189 2.889 . 0 0 "[ . 1 . 2]" 1
1454 1 34 VAL MG2 1 65 PHE HZ 0.000 . 5.000 2.100 1.820 2.704 . 0 0 "[ . 1 . 2]" 1
1455 1 34 VAL MG1 1 65 PHE HZ 0.000 . 3.500 1.807 1.693 1.927 . 0 0 "[ . 1 . 2]" 1
1456 1 34 VAL MG1 1 69 MET ME 0.000 . 2.700 1.974 1.727 2.298 . 0 0 "[ . 1 . 2]" 1
1457 1 35 LEU H 1 45 LEU QD 0.000 . 5.000 3.723 3.621 3.816 . 0 0 "[ . 1 . 2]" 1
1458 1 35 LEU QB 1 45 LEU MD2 0.000 . 3.100 1.719 1.671 1.776 . 0 0 "[ . 1 . 2]" 1
1459 1 35 LEU QB 1 45 LEU MD1 0.000 . 3.100 2.045 1.794 2.319 . 0 0 "[ . 1 . 2]" 1
1460 1 35 LEU MD1 1 45 LEU QD 0.000 . 3.500 2.780 2.688 2.989 . 0 0 "[ . 1 . 2]" 1
1461 1 35 LEU MD1 1 45 LEU HG 0.000 . 5.000 4.889 4.758 5.037 0.037 8 0 "[ . 1 . 2]" 1
1462 1 35 LEU MD1 1 48 VAL HB 0.000 . 5.000 3.628 3.421 3.954 . 0 0 "[ . 1 . 2]" 1
1463 1 35 LEU MD1 1 49 TRP HA 0.000 . 5.000 3.305 3.158 3.512 . 0 0 "[ . 1 . 2]" 1
1464 1 35 LEU MD1 1 49 TRP QB 0.000 . 4.400 2.458 2.147 2.659 . 0 0 "[ . 1 . 2]" 1
1465 1 35 LEU MD1 1 49 TRP HZ3 0.000 . 5.000 4.468 4.238 4.713 . 0 0 "[ . 1 . 2]" 1
1466 1 35 LEU MD1 1 49 TRP HE3 0.000 . 3.500 2.804 2.616 3.063 . 0 0 "[ . 1 . 2]" 1
1467 1 35 LEU MD1 1 68 ALA MB 0.000 . 5.000 3.216 2.999 3.465 . 0 0 "[ . 1 . 2]" 1
1468 1 35 LEU MD2 1 68 ALA MB 0.000 . 2.700 2.637 2.517 2.764 0.064 20 0 "[ . 1 . 2]" 1
1469 1 35 LEU MD2 1 69 MET ME 0.000 . 3.500 2.855 2.638 3.115 . 0 0 "[ . 1 . 2]" 1
1470 1 35 LEU QB 1 72 VAL QG 0.000 . 4.400 2.758 2.239 3.094 . 0 0 "[ . 1 . 2]" 1
1471 1 35 LEU HG 1 72 VAL MG1 0.000 . 5.000 5.006 4.865 5.105 0.105 7 0 "[ . 1 . 2]" 1
1472 1 35 LEU MD1 1 72 VAL QG 0.000 . 3.500 3.354 3.101 3.519 0.019 20 0 "[ . 1 . 2]" 1
1473 1 36 LEU MD2 1 42 VAL HA 0.000 . 3.500 3.544 3.484 3.604 0.104 17 0 "[ . 1 . 2]" 1
1474 1 36 LEU MD2 1 42 VAL QG 0.000 . 2.700 2.471 2.194 2.688 . 0 0 "[ . 1 . 2]" 1
1475 1 36 LEU H 1 45 LEU QD 0.000 . 3.500 2.939 2.817 3.054 . 0 0 "[ . 1 . 2]" 1
1476 1 36 LEU HA 1 45 LEU MD1 0.000 . 2.700 2.068 1.938 2.161 . 0 0 "[ . 1 . 2]" 1
1477 1 36 LEU QB 1 45 LEU MD1 0.000 . 3.500 3.507 3.386 3.567 0.067 12 0 "[ . 1 . 2]" 1
1478 1 36 LEU MD2 1 45 LEU MD1 0.000 . 5.000 1.896 1.746 2.206 . 0 0 "[ . 1 . 2]" 1
1479 1 37 ASN H 1 45 LEU QD 0.000 . 5.000 3.973 3.773 4.053 . 0 0 "[ . 1 . 2]" 1
1480 1 38 SER H 1 45 LEU QD 0.000 . 5.000 3.607 3.329 3.743 . 0 0 "[ . 1 . 2]" 1
1481 1 38 SER H 1 72 VAL QG 0.000 . 5.000 3.584 3.334 3.776 . 0 0 "[ . 1 . 2]" 1
1482 1 38 SER HA 1 72 VAL MG1 0.000 . 3.500 3.558 3.495 3.614 0.114 18 0 "[ . 1 . 2]" 1
1483 1 38 SER QB 1 72 VAL MG2 0.000 . 4.400 3.594 3.372 3.836 . 0 0 "[ . 1 . 2]" 1
1484 1 38 SER QB 1 72 VAL MG1 0.000 . 3.100 1.736 1.624 1.891 . 0 0 "[ . 1 . 2]" 1
1485 1 38 SER H 1 76 LEU QD 0.000 . 4.400 4.194 3.873 4.405 0.005 10 0 "[ . 1 . 2]" 1
1486 1 38 SER HA 1 76 LEU QD 0.000 . 3.100 2.363 1.941 2.805 . 0 0 "[ . 1 . 2]" 1
1487 1 38 SER QB 1 76 LEU QD 0.000 . 2.700 1.799 1.567 2.040 . 0 0 "[ . 1 . 2]" 1
1488 1 40 LEU H 1 45 LEU QD 0.000 . 3.500 3.416 3.168 3.536 0.036 2 0 "[ . 1 . 2]" 1
1489 1 40 LEU MD1 1 72 VAL HA 0.000 . 2.700 2.568 2.277 2.776 0.076 1 0 "[ . 1 . 2]" 1
1490 1 40 LEU MD1 1 72 VAL MG1 0.000 . 2.700 2.417 1.991 2.719 0.019 1 0 "[ . 1 . 2]" 1
1491 1 40 LEU QD 1 75 ALA MB 0.000 . 2.700 1.556 1.470 1.700 . 0 0 "[ . 1 . 2]" 1
1492 1 40 LEU HA 1 76 LEU QD 0.000 . 5.000 4.184 3.695 5.063 0.063 11 0 "[ . 1 . 2]" 1
1493 1 40 LEU MD1 1 76 LEU HA 0.000 . 5.000 4.006 2.865 4.668 . 0 0 "[ . 1 . 2]" 1
1494 1 40 LEU MD2 1 76 LEU HA 0.000 . 3.500 3.363 2.121 3.566 0.066 15 0 "[ . 1 . 2]" 1
1495 1 44 ILE MG 1 75 ALA MB 0.000 . 2.700 1.977 1.712 2.228 . 0 0 "[ . 1 . 2]" 1
1496 1 44 ILE MD 1 75 ALA MB 0.000 . 3.500 3.525 3.472 3.571 0.071 5 0 "[ . 1 . 2]" 1
1497 1 44 ILE HA 1 81 VAL MG2 0.000 . 5.000 3.634 3.019 4.177 . 0 0 "[ . 1 . 2]" 1
1498 1 44 ILE MG 1 81 VAL HB 0.000 . 3.500 2.564 1.926 3.202 . 0 0 "[ . 1 . 2]" 1
1499 1 44 ILE MG 1 81 VAL MG1 0.000 . 5.000 3.175 2.303 3.632 . 0 0 "[ . 1 . 2]" 1
1500 1 44 ILE MG 1 81 VAL MG2 0.000 . 2.700 1.873 1.637 2.228 . 0 0 "[ . 1 . 2]" 1
1501 1 44 ILE MD 1 81 VAL HB 0.000 . 3.500 3.281 2.685 3.541 0.041 8 0 "[ . 1 . 2]" 1
1502 1 44 ILE MD 1 81 VAL MG2 0.000 . 3.500 3.238 2.005 3.533 0.033 12 0 "[ . 1 . 2]" 1
1503 1 44 ILE MD 1 81 VAL H 0.000 . 3.500 3.459 3.035 3.636 0.136 17 0 "[ . 1 . 2]" 1
1504 1 45 LEU QD 1 72 VAL HA 0.000 . 5.000 3.863 3.672 4.057 . 0 0 "[ . 1 . 2]" 1
1505 1 47 ARG QB 1 81 VAL MG1 0.000 . 3.500 2.161 1.713 3.703 0.203 20 0 "[ . 1 . 2]" 1
1506 1 47 ARG QG 1 81 VAL MG1 0.000 . 3.500 3.224 1.937 3.662 0.162 20 0 "[ . 1 . 2]" 1
1507 1 47 ARG QD 1 81 VAL HB 0.000 . 5.000 3.180 2.629 3.856 . 0 0 "[ . 1 . 2]" 1
1508 1 47 ARG QD 1 81 VAL MG1 0.000 . 3.500 2.639 2.023 3.516 0.016 20 0 "[ . 1 . 2]" 1
1509 1 47 ARG HE 1 81 VAL QG 0.000 . 5.000 4.278 1.681 5.033 0.033 11 0 "[ . 1 . 2]" 1
1510 1 47 ARG QD 1 83 MET HA 0.000 . 2.700 2.675 2.186 2.814 0.114 20 0 "[ . 1 . 2]" 1
1511 1 47 ARG QD 1 83 MET ME 0.000 . 5.000 3.757 2.940 4.403 . 0 0 "[ . 1 . 2]" 1
1512 1 48 VAL MG1 1 68 ALA HA 0.000 . 2.700 2.216 2.042 2.429 . 0 0 "[ . 1 . 2]" 1
1513 1 48 VAL MG1 1 68 ALA MB 0.000 . 2.700 2.372 2.122 2.709 0.009 12 0 "[ . 1 . 2]" 1
1514 1 48 VAL MG1 1 69 MET ME 0.000 . 5.000 4.578 4.328 4.762 . 0 0 "[ . 1 . 2]" 1
1515 1 48 VAL HA 1 71 LEU MD1 0.000 . 2.700 2.503 2.081 2.718 0.018 3 0 "[ . 1 . 2]" 1
1516 1 48 VAL MG2 1 71 LEU HA 0.000 . 3.500 3.638 3.578 3.721 0.221 17 0 "[ . 1 . 2]" 1
1517 1 48 VAL MG1 1 71 LEU HA 0.000 . 5.000 4.190 3.989 4.673 . 0 0 "[ . 1 . 2]" 1
1518 1 48 VAL MG2 1 71 LEU QB 0.000 . 3.100 1.832 1.787 1.884 . 0 0 "[ . 1 . 2]" 1
1519 1 48 VAL MG1 1 71 LEU QB 0.000 . 3.100 1.954 1.771 2.279 . 0 0 "[ . 1 . 2]" 1
1520 1 48 VAL QG 1 71 LEU QB 0.000 . 3.500 1.671 1.597 1.770 . 0 0 "[ . 1 . 2]" 1
1521 1 48 VAL QG 1 71 LEU MD1 0.000 . 3.500 2.641 2.392 2.862 . 0 0 "[ . 1 . 2]" 1
1522 1 48 VAL MG2 1 72 VAL MG2 0.000 . 2.700 2.538 2.118 2.760 0.060 2 0 "[ . 1 . 2]" 1
1523 1 48 VAL MG2 1 75 ALA MB 0.000 . 5.000 3.276 2.786 3.601 . 0 0 "[ . 1 . 2]" 1
1524 1 49 TRP HE1 1 56 HIS HA 0.000 . 5.000 3.934 2.998 4.992 . 0 0 "[ . 1 . 2]" 1
1525 1 49 TRP HE1 1 58 GLY QA 0.000 . 4.400 3.909 3.794 4.094 . 0 0 "[ . 1 . 2]" 1
1526 1 49 TRP HZ2 1 58 GLY H 0.000 . 5.000 2.699 2.319 3.325 . 0 0 "[ . 1 . 2]" 1
1527 1 49 TRP HZ2 1 58 GLY QA 0.000 . 4.400 1.854 1.824 1.990 . 0 0 "[ . 1 . 2]" 1
1528 1 49 TRP HH2 1 58 GLY QA 0.000 . 4.400 3.124 2.851 3.249 . 0 0 "[ . 1 . 2]" 1
1529 1 49 TRP HE1 1 59 MET H 0.000 . 5.000 4.991 4.625 5.147 0.147 15 0 "[ . 1 . 2]" 1
1530 1 49 TRP HZ2 1 59 MET H 0.000 . 5.000 2.509 2.186 2.825 . 0 0 "[ . 1 . 2]" 1
1531 1 49 TRP HZ2 1 59 MET HA 0.000 . 5.000 4.021 3.872 4.365 . 0 0 "[ . 1 . 2]" 1
1532 1 49 TRP HZ3 1 59 MET HA 0.000 . 5.000 3.519 3.147 3.869 . 0 0 "[ . 1 . 2]" 1
1533 1 49 TRP HH2 1 59 MET HA 0.000 . 5.000 1.985 1.784 2.403 . 0 0 "[ . 1 . 2]" 1
1534 1 49 TRP HZ3 1 59 MET H 0.000 . 5.000 5.090 5.001 5.163 0.163 20 0 "[ . 1 . 2]" 1
1535 1 49 TRP HA 1 60 LEU QD 0.000 . 5.000 2.760 2.360 3.036 . 0 0 "[ . 1 . 2]" 1
1536 1 49 TRP HA 1 60 LEU MD1 0.000 . 5.000 2.938 2.469 3.328 . 0 0 "[ . 1 . 2]" 1
1537 1 49 TRP HA 1 60 LEU MD2 0.000 . 5.000 3.400 2.947 3.882 . 0 0 "[ . 1 . 2]" 1
1538 1 49 TRP HZ2 1 60 LEU HG 0.000 . 5.000 4.489 4.169 4.716 . 0 0 "[ . 1 . 2]" 1
1539 1 49 TRP HH2 1 60 LEU H 0.000 . 5.000 3.693 3.572 4.030 . 0 0 "[ . 1 . 2]" 1
1540 1 49 TRP HH2 1 60 LEU HG 0.000 . 5.000 3.459 3.127 3.852 . 0 0 "[ . 1 . 2]" 1
1541 1 49 TRP HH2 1 60 LEU MD1 0.000 . 5.000 4.659 3.909 5.034 0.034 15 0 "[ . 1 . 2]" 1
1542 1 49 TRP HH2 1 60 LEU MD2 0.000 . 5.000 4.432 4.109 4.806 . 0 0 "[ . 1 . 2]" 1
1543 1 49 TRP HZ3 1 60 LEU H 0.000 . 5.000 3.917 3.458 4.367 . 0 0 "[ . 1 . 2]" 1
1544 1 49 TRP HZ3 1 60 LEU QB 0.000 . 4.400 3.422 3.186 3.701 . 0 0 "[ . 1 . 2]" 1
1545 1 49 TRP HZ3 1 60 LEU HG 0.000 . 5.000 2.627 2.418 3.086 . 0 0 "[ . 1 . 2]" 1
1546 1 49 TRP HZ3 1 60 LEU MD1 0.000 . 5.000 3.111 2.136 3.616 . 0 0 "[ . 1 . 2]" 1
1547 1 49 TRP HE3 1 60 LEU MD1 0.000 . 5.000 2.332 1.881 2.838 . 0 0 "[ . 1 . 2]" 1
1548 1 49 TRP HA 1 68 ALA MB 0.000 . 5.000 2.865 2.572 3.145 . 0 0 "[ . 1 . 2]" 1
1549 1 51 LEU QB 1 71 LEU MD1 0.000 . 3.500 2.093 1.774 2.554 . 0 0 "[ . 1 . 2]" 1
1550 1 51 LEU MD1 1 71 LEU MD1 0.000 . 3.500 2.606 2.136 3.115 . 0 0 "[ . 1 . 2]" 1
1551 1 51 LEU MD1 1 81 VAL HA 0.000 . 5.000 4.409 3.834 4.767 . 0 0 "[ . 1 . 2]" 1
1552 1 51 LEU MD1 1 81 VAL HB 0.000 . 5.000 4.371 3.667 4.927 . 0 0 "[ . 1 . 2]" 1
1553 1 51 LEU HG 1 81 VAL MG1 0.000 . 5.000 4.579 3.839 5.310 0.310 20 0 "[ . 1 . 2]" 1
1554 1 51 LEU MD1 1 81 VAL MG1 0.000 . 2.700 2.228 1.633 2.863 0.163 20 0 "[ . 1 . 2]" 1
1555 1 51 LEU MD1 1 82 PRO QD 0.000 . 4.400 2.987 2.362 3.638 . 0 0 "[ . 1 . 2]" 1
1556 1 51 LEU MD1 1 82 PRO QG 0.000 . 5.000 3.503 2.859 4.109 . 0 0 "[ . 1 . 2]" 1
1557 1 51 LEU MD2 1 82 PRO QG 0.000 . 5.000 3.449 2.495 4.248 . 0 0 "[ . 1 . 2]" 1
1558 1 51 LEU MD1 1 82 PRO QB 0.000 . 5.000 4.148 3.768 4.602 . 0 0 "[ . 1 . 2]" 1
1559 1 51 LEU MD2 1 82 PRO QB 0.000 . 5.000 3.961 3.526 4.408 . 0 0 "[ . 1 . 2]" 1
1560 1 51 LEU MD1 1 83 MET HA 0.000 . 5.000 2.439 1.854 4.214 . 0 0 "[ . 1 . 2]" 1
1561 1 51 LEU MD2 1 83 MET HA 0.000 . 3.500 2.867 2.608 3.605 0.105 17 0 "[ . 1 . 2]" 1
1562 1 51 LEU QD 1 83 MET H 0.000 . 5.000 3.654 3.329 4.073 . 0 0 "[ . 1 . 2]" 1
1563 1 51 LEU MD1 1 84 SER H 0.000 . 5.000 3.584 3.221 4.324 . 0 0 "[ . 1 . 2]" 1
1564 1 51 LEU MD2 1 84 SER H 0.000 . 3.500 2.550 2.211 2.990 . 0 0 "[ . 1 . 2]" 1
1565 1 51 LEU MD2 1 84 SER HA 0.000 . 2.700 2.705 2.048 2.884 0.184 20 0 "[ . 1 . 2]" 1
1566 1 51 LEU MD2 1 84 SER QB 0.000 . 3.500 3.661 3.521 3.858 0.358 17 0 "[ . 1 . 2]" 1
1567 1 51 LEU MD2 1 85 LEU H 0.000 . 3.500 2.035 1.686 2.440 . 0 0 "[ . 1 . 2]" 1
1568 1 51 LEU HA 1 85 LEU QD 0.000 . 5.000 2.322 1.831 3.138 . 0 0 "[ . 1 . 2]" 1
1569 1 51 LEU QB 1 85 LEU QD 0.000 . 5.000 2.790 1.857 3.595 . 0 0 "[ . 1 . 2]" 1
1570 1 51 LEU MD2 1 85 LEU HA 0.000 . 2.700 2.079 1.792 2.775 0.075 17 0 "[ . 1 . 2]" 1
1571 1 51 LEU MD2 1 85 LEU QD 0.000 . 4.400 3.002 2.468 3.498 . 0 0 "[ . 1 . 2]" 1
1572 1 52 SER H 1 60 LEU MD2 0.000 . 5.000 4.155 3.812 4.397 . 0 0 "[ . 1 . 2]" 1
1573 1 52 SER HA 1 60 LEU QD 0.000 . 5.000 3.580 3.274 3.912 . 0 0 "[ . 1 . 2]" 1
1574 1 52 SER QB 1 60 LEU QD 0.000 . 4.400 2.132 1.692 2.706 . 0 0 "[ . 1 . 2]" 1
1575 1 52 SER HA 1 67 VAL MG2 0.000 . 5.000 3.620 3.393 4.027 . 0 0 "[ . 1 . 2]" 1
1576 1 52 SER HA 1 67 VAL MG1 0.000 . 2.700 2.206 1.797 2.719 0.019 16 0 "[ . 1 . 2]" 1
1577 1 52 SER QB 1 67 VAL MG1 0.000 . 4.400 3.432 2.933 3.976 . 0 0 "[ . 1 . 2]" 1
1578 1 52 SER HA 1 68 ALA MB 0.000 . 3.500 3.628 3.576 3.722 0.222 18 0 "[ . 1 . 2]" 1
1579 1 52 SER QB 1 68 ALA MB 0.000 . 3.100 1.818 1.736 1.947 . 0 0 "[ . 1 . 2]" 1
1580 1 52 SER HA 1 85 LEU QD 0.000 . 5.000 3.737 3.134 4.268 . 0 0 "[ . 1 . 2]" 1
1581 1 53 ASP H 1 60 LEU MD2 0.000 . 3.500 3.230 3.043 3.493 . 0 0 "[ . 1 . 2]" 1
1582 1 53 ASP HA 1 60 LEU MD2 0.000 . 2.700 2.285 1.897 2.700 . 0 0 "[ . 1 . 2]" 1
1583 1 53 ASP QB 1 60 LEU MD2 0.000 . 3.500 3.228 2.835 3.500 . 0 0 "[ . 1 . 2]" 1
1584 1 54 ILE H 1 60 LEU MD2 0.000 . 5.000 3.662 3.260 4.234 . 0 0 "[ . 1 . 2]" 1
1585 1 54 ILE H 1 64 GLU HA 0.000 . 5.000 4.123 3.752 4.763 . 0 0 "[ . 1 . 2]" 1
1586 1 54 ILE H 1 64 GLU QB 0.000 . 4.400 3.262 2.451 3.984 . 0 0 "[ . 1 . 2]" 1
1587 1 54 ILE H 1 64 GLU QG 0.000 . 5.000 2.417 1.823 3.730 . 0 0 "[ . 1 . 2]" 1
1588 1 54 ILE MD 1 64 GLU HA 0.000 . 5.000 3.735 2.851 4.188 . 0 0 "[ . 1 . 2]" 1
1589 1 54 ILE MD 1 64 GLU QG 0.000 . 4.400 3.236 1.906 3.650 . 0 0 "[ . 1 . 2]" 1
1590 1 54 ILE MD 1 67 VAL MG2 0.000 . 2.700 2.734 2.646 2.810 0.110 15 0 "[ . 1 . 2]" 1
1591 1 54 ILE MG 1 85 LEU QD 0.000 . 4.400 3.685 2.662 4.487 0.087 17 0 "[ . 1 . 2]" 1
1592 1 54 ILE MD 1 85 LEU QD 0.000 . 3.100 2.229 1.830 2.742 . 0 0 "[ . 1 . 2]" 1
1593 1 54 ILE MD 1 90 VAL HA 0.000 . 3.500 2.988 2.478 3.466 . 0 0 "[ . 1 . 2]" 1
1594 1 54 ILE MG 1 90 VAL QG 0.000 . 4.400 3.135 2.598 3.842 . 0 0 "[ . 1 . 2]" 1
1595 1 54 ILE MD 1 90 VAL QG 0.000 . 2.700 2.533 1.851 2.756 0.056 8 0 "[ . 1 . 2]" 1
1596 1 54 ILE MD 1 91 PRO QD 0.000 . 2.700 2.457 1.856 2.754 0.054 17 0 "[ . 1 . 2]" 1
1597 1 54 ILE MG 1 94 LYS H 0.000 . 5.000 4.407 3.573 5.027 0.027 7 0 "[ . 1 . 2]" 1
1598 1 54 ILE MG 1 94 LYS HA 0.000 . 5.000 4.062 2.758 4.861 . 0 0 "[ . 1 . 2]" 1
1599 1 54 ILE MG 1 94 LYS QB 0.000 . 4.400 2.585 1.909 3.948 . 0 0 "[ . 1 . 2]" 1
1600 1 54 ILE MG 1 94 LYS QG 0.000 . 4.400 2.303 1.668 3.718 . 0 0 "[ . 1 . 2]" 1
1601 1 54 ILE MG 1 94 LYS QD 0.000 . 4.400 2.720 1.680 3.848 . 0 0 "[ . 1 . 2]" 1
1602 1 54 ILE MG 1 94 LYS QE 0.000 . 4.400 2.756 1.841 3.881 . 0 0 "[ . 1 . 2]" 1
1603 1 54 ILE MD 1 94 LYS QB 0.000 . 4.400 3.643 3.027 4.223 . 0 0 "[ . 1 . 2]" 1
1604 1 54 ILE MD 1 94 LYS QG 0.000 . 4.400 3.610 2.440 4.405 0.005 19 0 "[ . 1 . 2]" 1
1605 1 54 ILE MD 1 94 LYS QD 0.000 . 4.400 3.787 2.478 4.427 0.027 15 0 "[ . 1 . 2]" 1
1606 1 54 ILE MD 1 94 LYS QE 0.000 . 4.400 3.815 2.158 4.419 0.019 13 0 "[ . 1 . 2]" 1
1607 1 55 ASP H 1 64 GLU QG 0.000 . 5.000 3.905 3.362 4.729 . 0 0 "[ . 1 . 2]" 1
1608 1 60 LEU MD1 1 68 ALA MB 0.000 . 2.700 2.090 1.829 2.340 . 0 0 "[ . 1 . 2]" 1
1609 1 67 VAL MG1 1 85 LEU QD 0.000 . 2.700 2.534 1.919 2.775 0.075 11 0 "[ . 1 . 2]" 1
1610 1 67 VAL HA 1 89 LEU QD 0.000 . 4.400 2.969 1.926 4.272 . 0 0 "[ . 1 . 2]" 1
1611 1 67 VAL MG1 1 89 LEU HG 0.000 . 5.000 3.281 1.984 4.913 . 0 0 "[ . 1 . 2]" 1
1612 1 67 VAL MG2 1 89 LEU QD 0.000 . 5.000 2.550 1.625 4.258 . 0 0 "[ . 1 . 2]" 1
1613 1 67 VAL MG1 1 89 LEU QD 0.000 . 3.500 1.943 1.518 3.152 . 0 0 "[ . 1 . 2]" 1
1614 1 67 VAL QG 1 89 LEU QD 0.000 . 3.500 1.870 1.415 3.073 . 0 0 "[ . 1 . 2]" 1
1615 1 67 VAL MG2 1 90 VAL HA 0.000 . 5.000 3.733 3.108 4.236 . 0 0 "[ . 1 . 2]" 1
1616 1 67 VAL QG 1 90 VAL QG 0.000 . 5.000 3.683 3.053 4.291 . 0 0 "[ . 1 . 2]" 1
1617 1 67 VAL MG2 1 91 PRO QD 0.000 . 3.100 3.048 2.292 3.243 0.143 8 0 "[ . 1 . 2]" 1
1618 1 70 PHE QD 1 89 LEU QD 0.000 . 4.400 3.504 3.283 3.817 . 0 0 "[ . 1 . 2]" 1
1619 1 70 PHE QE 1 89 LEU QD 0.000 . 4.400 1.900 1.716 2.444 . 0 0 "[ . 1 . 2]" 1
1620 1 71 LEU HG 1 81 VAL MG1 0.000 . 5.000 4.600 3.953 4.967 . 0 0 "[ . 1 . 2]" 1
1621 1 71 LEU MD2 1 81 VAL HA 0.000 . 3.500 3.333 2.985 3.557 0.057 18 0 "[ . 1 . 2]" 1
1622 1 71 LEU MD2 1 82 PRO QD 0.000 . 3.100 2.860 2.382 3.066 . 0 0 "[ . 1 . 2]" 1
1623 1 71 LEU MD1 1 85 LEU QD 0.000 . 4.400 3.587 2.758 4.185 . 0 0 "[ . 1 . 2]" 1
1624 1 71 LEU QD 1 89 LEU QD 0.000 . 5.000 2.908 2.376 3.313 . 0 0 "[ . 1 . 2]" 1
1625 1 71 LEU MD1 1 89 LEU QD 0.000 . 3.500 3.065 2.518 3.507 0.007 8 0 "[ . 1 . 2]" 1
1626 1 75 ALA MB 1 80 PRO HA 0.000 . 5.000 3.556 2.753 4.560 . 0 0 "[ . 1 . 2]" 1
1627 1 75 ALA MB 1 81 VAL H 0.000 . 5.000 4.233 3.875 4.802 . 0 0 "[ . 1 . 2]" 1
1628 1 75 ALA MB 1 81 VAL HB 0.000 . 5.000 4.170 3.571 4.959 . 0 0 "[ . 1 . 2]" 1
1629 1 75 ALA MB 1 81 VAL MG2 0.000 . 2.700 2.136 1.561 2.710 0.010 8 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 72
_Distance_constraint_stats_list.Viol_count 194
_Distance_constraint_stats_list.Viol_total 100.447
_Distance_constraint_stats_list.Viol_max 0.101
_Distance_constraint_stats_list.Viol_rms 0.0118
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0035
_Distance_constraint_stats_list.Viol_average_violations_only 0.0259
_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 5 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLU 0.525 0.101 17 0 "[ . 1 . 2]"
1 8 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LYS 0.525 0.101 17 0 "[ . 1 . 2]"
1 12 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LEU 0.001 0.000 16 0 "[ . 1 . 2]"
1 27 SER 0.908 0.069 2 0 "[ . 1 . 2]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LYS 1.190 0.069 2 0 "[ . 1 . 2]"
1 31 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 VAL 0.282 0.055 18 0 "[ . 1 . 2]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 PRO 0.005 0.004 12 0 "[ . 1 . 2]"
1 42 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ASP 0.114 0.039 10 0 "[ . 1 . 2]"
1 44 ILE 0.009 0.004 12 0 "[ . 1 . 2]"
1 45 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ARG 0.114 0.039 10 0 "[ . 1 . 2]"
1 48 VAL 0.004 0.003 3 0 "[ . 1 . 2]"
1 49 TRP 0.267 0.024 4 0 "[ . 1 . 2]"
1 51 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ASP 0.267 0.024 4 0 "[ . 1 . 2]"
1 54 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LEU 0.001 0.000 16 0 "[ . 1 . 2]"
1 61 ASP 0.094 0.021 9 0 "[ . 1 . 2]"
1 62 ARG 0.163 0.044 9 0 "[ . 1 . 2]"
1 63 ASP 0.112 0.060 3 0 "[ . 1 . 2]"
1 64 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 PHE 0.358 0.045 9 0 "[ . 1 . 2]"
1 66 ALA 1.093 0.093 9 0 "[ . 1 . 2]"
1 67 VAL 0.862 0.075 11 0 "[ . 1 . 2]"
1 68 ALA 0.143 0.062 13 0 "[ . 1 . 2]"
1 69 MET 0.264 0.045 9 0 "[ . 1 . 2]"
1 70 PHE 0.929 0.093 9 0 "[ . 1 . 2]"
1 71 LEU 0.751 0.075 11 0 "[ . 1 . 2]"
1 72 VAL 0.143 0.062 13 0 "[ . 1 . 2]"
1 73 TYR 0.461 0.049 6 0 "[ . 1 . 2]"
1 74 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLU 0.461 0.049 6 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 5 LYS O 1 9 LYS N 3.300 2.400 3.500 2.790 2.513 3.054 . 0 0 "[ . 1 . 2]" 2
2 1 5 LYS O 1 9 LYS H 2.400 . 2.800 1.874 1.586 2.096 . 0 0 "[ . 1 . 2]" 2
3 1 6 PRO O 1 10 ALA N 3.300 2.400 3.500 3.044 2.634 3.406 . 0 0 "[ . 1 . 2]" 2
4 1 6 PRO O 1 10 ALA H 2.400 . 2.800 2.390 1.939 2.733 . 0 0 "[ . 1 . 2]" 2
5 1 7 GLU O 1 11 LYS N 3.300 2.400 3.500 3.513 3.344 3.601 0.101 17 0 "[ . 1 . 2]" 2
6 1 7 GLU O 1 11 LYS H 2.400 . 2.800 2.631 2.460 2.804 0.004 16 0 "[ . 1 . 2]" 2
7 1 8 ASP O 1 12 TYR N 3.300 2.400 3.500 3.008 2.658 3.344 . 0 0 "[ . 1 . 2]" 2
8 1 8 ASP O 1 12 TYR H 2.400 . 2.800 2.174 1.703 2.597 . 0 0 "[ . 1 . 2]" 2
9 1 9 LYS O 1 13 ASP N 3.300 2.400 3.500 2.839 2.413 3.186 . 0 0 "[ . 1 . 2]" 2
10 1 9 LYS O 1 13 ASP H 2.400 . 2.800 2.035 1.500 2.375 . 0 0 "[ . 1 . 2]" 2
11 1 11 LYS O 1 15 ILE N 3.300 2.400 3.500 3.153 2.770 3.474 . 0 0 "[ . 1 . 2]" 2
12 1 11 LYS O 1 15 ILE H 2.400 . 2.800 2.293 1.836 2.635 . 0 0 "[ . 1 . 2]" 2
13 1 12 TYR O 1 16 PHE N 3.300 2.400 3.500 2.813 2.632 3.104 . 0 0 "[ . 1 . 2]" 2
14 1 12 TYR O 1 16 PHE H 2.400 . 2.800 1.967 1.740 2.360 . 0 0 "[ . 1 . 2]" 2
15 1 13 ASP O 1 17 ASP N 3.300 2.400 3.500 3.245 3.097 3.472 . 0 0 "[ . 1 . 2]" 2
16 1 13 ASP O 1 17 ASP H 2.400 . 2.800 2.428 2.275 2.647 . 0 0 "[ . 1 . 2]" 2
17 1 26 LEU N 1 60 LEU O 3.300 2.400 3.500 2.970 2.615 3.360 . 0 0 "[ . 1 . 2]" 2
18 1 26 LEU H 1 60 LEU O 2.400 . 2.800 2.263 1.840 2.768 . 0 0 "[ . 1 . 2]" 2
19 1 27 SER O 1 30 LYS N 3.300 2.400 3.500 2.400 2.380 2.415 0.020 13 0 "[ . 1 . 2]" 2
20 1 27 SER O 1 30 LYS H 2.400 . 2.800 1.458 1.431 1.490 0.069 2 0 "[ . 1 . 2]" 2
21 1 27 SER O 1 31 VAL N 3.300 2.400 3.500 3.091 3.010 3.160 . 0 0 "[ . 1 . 2]" 2
22 1 27 SER O 1 31 VAL H 2.400 . 2.800 2.141 2.051 2.211 . 0 0 "[ . 1 . 2]" 2
23 1 28 GLY O 1 32 LYS N 3.300 2.400 3.500 2.486 2.402 2.631 . 0 0 "[ . 1 . 2]" 2
24 1 28 GLY O 1 32 LYS H 2.400 . 2.800 1.595 1.505 1.719 . 0 0 "[ . 1 . 2]" 2
25 1 30 LYS O 1 34 VAL N 3.300 2.400 3.500 3.496 3.403 3.555 0.055 18 0 "[ . 1 . 2]" 2
26 1 30 LYS O 1 34 VAL H 2.400 . 2.800 2.649 2.531 2.729 . 0 0 "[ . 1 . 2]" 2
27 1 31 VAL O 1 35 LEU N 3.300 2.400 3.500 2.752 2.626 2.925 . 0 0 "[ . 1 . 2]" 2
28 1 31 VAL O 1 35 LEU H 2.400 . 2.800 1.894 1.760 2.107 . 0 0 "[ . 1 . 2]" 2
29 1 32 LYS O 1 36 LEU N 3.300 2.400 3.500 2.894 2.722 3.056 . 0 0 "[ . 1 . 2]" 2
30 1 32 LYS O 1 36 LEU H 2.400 . 2.800 2.065 1.859 2.233 . 0 0 "[ . 1 . 2]" 2
31 1 41 PRO O 1 44 ILE N 3.300 2.400 3.500 3.219 3.005 3.504 0.004 12 0 "[ . 1 . 2]" 2
32 1 41 PRO O 1 44 ILE H 2.400 . 2.800 2.388 2.148 2.726 . 0 0 "[ . 1 . 2]" 2
33 1 41 PRO O 1 45 LEU N 3.300 2.400 3.500 3.374 3.304 3.440 . 0 0 "[ . 1 . 2]" 2
34 1 41 PRO O 1 45 LEU H 2.400 . 2.800 2.409 2.336 2.480 . 0 0 "[ . 1 . 2]" 2
35 1 42 VAL O 1 46 GLY N 3.300 2.400 3.500 2.848 2.592 3.063 . 0 0 "[ . 1 . 2]" 2
36 1 42 VAL O 1 46 GLY H 2.400 . 2.800 2.130 1.874 2.384 . 0 0 "[ . 1 . 2]" 2
37 1 43 ASP O 1 47 ARG N 3.300 2.400 3.500 3.428 3.124 3.539 0.039 10 0 "[ . 1 . 2]" 2
38 1 43 ASP O 1 47 ARG H 2.400 . 2.800 2.736 2.460 2.813 0.013 13 0 "[ . 1 . 2]" 2
39 1 44 ILE O 1 48 VAL N 3.300 2.400 3.500 2.462 2.399 2.645 0.001 10 0 "[ . 1 . 2]" 2
40 1 44 ILE O 1 48 VAL H 2.400 . 2.800 1.582 1.497 1.795 0.003 3 0 "[ . 1 . 2]" 2
41 1 45 LEU O 1 49 TRP N 3.300 2.400 3.500 3.035 2.853 3.221 . 0 0 "[ . 1 . 2]" 2
42 1 45 LEU O 1 49 TRP H 2.400 . 2.800 2.108 1.953 2.297 . 0 0 "[ . 1 . 2]" 2
43 1 47 ARG O 1 51 LEU N 3.300 2.400 3.500 3.091 2.686 3.342 . 0 0 "[ . 1 . 2]" 2
44 1 47 ARG O 1 51 LEU H 2.400 . 2.800 2.140 1.721 2.379 . 0 0 "[ . 1 . 2]" 2
45 1 49 TRP O 1 53 ASP N 3.300 2.400 3.500 2.389 2.376 2.406 0.024 4 0 "[ . 1 . 2]" 2
46 1 49 TRP O 1 53 ASP H 2.400 . 2.800 1.594 1.480 1.858 0.020 20 0 "[ . 1 . 2]" 2
47 1 52 SER O 1 54 ILE N 3.300 2.400 3.500 2.958 2.527 3.444 . 0 0 "[ . 1 . 2]" 2
48 1 52 SER O 1 54 ILE H 2.400 . 2.800 2.384 1.684 2.782 . 0 0 "[ . 1 . 2]" 2
49 1 26 LEU O 1 60 LEU N 3.300 2.400 3.500 2.545 2.400 3.002 0.000 16 0 "[ . 1 . 2]" 2
50 1 26 LEU O 1 60 LEU H 2.400 . 2.800 1.677 1.513 2.216 . 0 0 "[ . 1 . 2]" 2
51 1 61 ASP O 1 65 PHE N 3.300 2.400 3.500 2.498 2.406 2.583 . 0 0 "[ . 1 . 2]" 2
52 1 61 ASP O 1 65 PHE H 2.400 . 2.800 1.536 1.479 1.608 0.021 9 0 "[ . 1 . 2]" 2
53 1 62 ARG O 1 66 ALA N 3.300 2.400 3.500 3.360 3.137 3.509 0.009 9 0 "[ . 1 . 2]" 2
54 1 62 ARG O 1 66 ALA H 2.400 . 2.800 2.700 2.485 2.844 0.044 9 0 "[ . 1 . 2]" 2
55 1 63 ASP O 1 67 VAL N 3.300 2.400 3.500 3.440 3.225 3.560 0.060 3 0 "[ . 1 . 2]" 2
56 1 63 ASP O 1 67 VAL H 2.400 . 2.800 2.512 2.266 2.628 . 0 0 "[ . 1 . 2]" 2
57 1 64 GLU O 1 68 ALA N 3.300 2.400 3.500 3.321 3.071 3.498 . 0 0 "[ . 1 . 2]" 2
58 1 64 GLU O 1 68 ALA H 2.400 . 2.800 2.482 2.242 2.676 . 0 0 "[ . 1 . 2]" 2
59 1 65 PHE O 1 69 MET N 3.300 2.400 3.500 3.252 3.052 3.424 . 0 0 "[ . 1 . 2]" 2
60 1 65 PHE O 1 69 MET H 2.400 . 2.800 2.776 2.600 2.845 0.045 9 0 "[ . 1 . 2]" 2
61 1 66 ALA O 1 70 PHE N 3.300 2.400 3.500 3.542 3.425 3.593 0.093 9 0 "[ . 1 . 2]" 2
62 1 66 ALA O 1 70 PHE H 2.400 . 2.800 2.612 2.503 2.672 . 0 0 "[ . 1 . 2]" 2
63 1 67 VAL O 1 71 LEU N 3.300 2.400 3.500 3.531 3.453 3.575 0.075 11 0 "[ . 1 . 2]" 2
64 1 67 VAL O 1 71 LEU H 2.400 . 2.800 2.761 2.655 2.826 0.026 20 0 "[ . 1 . 2]" 2
65 1 68 ALA O 1 72 VAL N 3.300 2.400 3.500 3.393 3.231 3.480 . 0 0 "[ . 1 . 2]" 2
66 1 68 ALA O 1 72 VAL H 2.400 . 2.800 2.752 2.509 2.862 0.062 13 0 "[ . 1 . 2]" 2
67 1 69 MET O 1 73 TYR N 3.300 2.400 3.500 2.967 2.768 3.387 . 0 0 "[ . 1 . 2]" 2
68 1 69 MET O 1 73 TYR H 2.400 . 2.800 2.051 1.800 2.414 . 0 0 "[ . 1 . 2]" 2
69 1 70 PHE O 1 74 CYS N 3.300 2.400 3.500 2.982 2.549 3.406 . 0 0 "[ . 1 . 2]" 2
70 1 70 PHE O 1 74 CYS H 2.400 . 2.600 2.160 1.649 2.558 . 0 0 "[ . 1 . 2]" 2
71 1 73 TYR O 1 77 GLU N 3.300 2.400 3.500 3.454 2.899 3.549 0.049 6 0 "[ . 1 . 2]" 2
72 1 73 TYR O 1 77 GLU H 2.400 . 2.600 2.525 2.164 2.614 0.014 6 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Thursday, May 9, 2024 10:41:42 PM GMT (wattos1)