NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
369864 |
1bfi   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bfi
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 1401
_Distance_constraint_stats_list.Viol_count 2697
_Distance_constraint_stats_list.Viol_total 9264.074
_Distance_constraint_stats_list.Viol_max 0.791
_Distance_constraint_stats_list.Viol_rms 0.0369
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0073
_Distance_constraint_stats_list.Viol_average_violations_only 0.1145
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 ASP 0.600 0.267 17 0 "[ . 1 . 2 . 3]"
1 4 LEU 1.278 0.267 17 0 "[ . 1 . 2 . 3]"
1 5 PRO 0.805 0.067 21 0 "[ . 1 . 2 . 3]"
1 6 HIS 2.369 0.195 17 0 "[ . 1 . 2 . 3]"
1 7 HIS 0.375 0.092 15 0 "[ . 1 . 2 . 3]"
1 8 ASP 5.720 0.177 17 0 "[ . 1 . 2 . 3]"
1 9 GLU 6.355 0.274 7 0 "[ . 1 . 2 . 3]"
1 10 LYS 12.884 0.379 23 0 "[ . 1 . 2 . 3]"
1 11 THR 9.386 0.289 15 0 "[ . 1 . 2 . 3]"
1 12 TRP 24.908 0.379 23 0 "[ . 1 . 2 . 3]"
1 13 ASN 3.278 0.148 6 0 "[ . 1 . 2 . 3]"
1 14 VAL 2.112 0.146 4 0 "[ . 1 . 2 . 3]"
1 15 GLY 3.319 0.162 2 0 "[ . 1 . 2 . 3]"
1 17 SER 0.792 0.199 22 0 "[ . 1 . 2 . 3]"
1 19 ARG 4.869 0.221 8 0 "[ . 1 . 2 . 3]"
1 20 ASN 0.434 0.109 11 0 "[ . 1 . 2 . 3]"
1 21 LYS 1.219 0.167 11 0 "[ . 1 . 2 . 3]"
1 22 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 23 GLU 3.627 0.210 18 0 "[ . 1 . 2 . 3]"
1 24 ASN 10.377 0.402 17 0 "[ . 1 . 2 . 3]"
1 25 LEU 2.412 0.204 2 0 "[ . 1 . 2 . 3]"
1 26 LEU 9.429 0.229 23 0 "[ . 1 . 2 . 3]"
1 27 ARG 16.811 0.495 4 0 "[ . 1 . 2 . 3]"
1 28 GLY 2.332 0.495 4 0 "[ . 1 . 2 . 3]"
1 29 LYS 10.740 0.309 8 0 "[ . 1 . 2 . 3]"
1 30 ARG 6.077 0.281 25 0 "[ . 1 . 2 . 3]"
1 31 ASP 6.946 0.330 24 0 "[ . 1 . 2 . 3]"
1 32 GLY 6.079 0.212 3 0 "[ . 1 . 2 . 3]"
1 33 THR 7.111 0.223 22 0 "[ . 1 . 2 . 3]"
1 34 PHE 14.758 0.285 17 0 "[ . 1 . 2 . 3]"
1 35 LEU 11.025 0.333 7 0 "[ . 1 . 2 . 3]"
1 36 VAL 10.301 0.274 7 0 "[ . 1 . 2 . 3]"
1 37 ARG 10.510 0.317 15 0 "[ . 1 . 2 . 3]"
1 38 GLU 19.727 0.540 23 3 "[ . 1 -* 2 + . 3]"
1 39 SER 4.292 0.285 12 0 "[ . 1 . 2 . 3]"
1 40 SER 15.662 0.540 23 3 "[ . 1 -* 2 + . 3]"
1 41 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 42 GLN 0.551 0.163 3 0 "[ . 1 . 2 . 3]"
1 43 GLY 1.741 0.252 3 0 "[ . 1 . 2 . 3]"
1 44 CYS 0.111 0.053 7 0 "[ . 1 . 2 . 3]"
1 45 TYR 2.477 0.285 12 0 "[ . 1 . 2 . 3]"
1 46 ALA 5.096 0.306 17 0 "[ . 1 . 2 . 3]"
1 47 CYS 6.672 0.255 11 0 "[ . 1 . 2 . 3]"
1 48 SER 6.877 0.214 6 0 "[ . 1 . 2 . 3]"
1 49 VAL 14.965 0.333 7 0 "[ . 1 . 2 . 3]"
1 50 VAL 13.213 0.333 24 0 "[ . 1 . 2 . 3]"
1 51 VAL 15.509 0.547 17 1 "[ . 1 . + 2 . 3]"
1 52 ASP 14.454 0.386 23 0 "[ . 1 . 2 . 3]"
1 53 GLY 8.415 0.386 23 0 "[ . 1 . 2 . 3]"
1 54 GLU 10.552 0.347 2 0 "[ . 1 . 2 . 3]"
1 55 VAL 3.177 0.382 29 0 "[ . 1 . 2 . 3]"
1 56 LYS 12.926 0.547 17 1 "[ . 1 . + 2 . 3]"
1 57 HIS 3.528 0.204 24 0 "[ . 1 . 2 . 3]"
1 58 CYS 5.676 0.260 18 0 "[ . 1 . 2 . 3]"
1 59 VAL 7.420 0.201 5 0 "[ . 1 . 2 . 3]"
1 60 ILE 5.116 0.166 13 0 "[ . 1 . 2 . 3]"
1 61 ASN 2.669 0.317 2 0 "[ . 1 . 2 . 3]"
1 62 LYS 3.661 0.641 2 3 "[ + . 1 - . 2 . *]"
1 63 THR 1.512 0.285 15 0 "[ . 1 . 2 . 3]"
1 64 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 65 THR 6.597 0.493 5 0 "[ . 1 . 2 . 3]"
1 66 GLY 0.584 0.192 9 0 "[ . 1 . 2 . 3]"
1 67 TYR 4.526 0.641 2 3 "[ + . 1 - . 2 . *]"
1 68 GLY 4.475 0.317 2 0 "[ . 1 . 2 . 3]"
1 69 PHE 4.816 0.201 5 0 "[ . 1 . 2 . 3]"
1 70 ALA 4.508 0.373 2 0 "[ . 1 . 2 . 3]"
1 71 GLU 0.755 0.314 25 0 "[ . 1 . 2 . 3]"
1 73 TYR 1.825 0.325 23 0 "[ . 1 . 2 . 3]"
1 74 ASN 1.070 0.325 23 0 "[ . 1 . 2 . 3]"
1 75 LEU 8.430 0.791 17 1 "[ . 1 . + 2 . 3]"
1 76 TYR 4.141 0.791 17 1 "[ . 1 . + 2 . 3]"
1 77 SER 0.931 0.422 21 0 "[ . 1 . 2 . 3]"
1 78 SER 0.582 0.137 18 0 "[ . 1 . 2 . 3]"
1 79 LEU 1.188 0.137 18 0 "[ . 1 . 2 . 3]"
1 80 LYS 1.647 0.215 11 0 "[ . 1 . 2 . 3]"
1 81 GLU 2.660 0.189 23 0 "[ . 1 . 2 . 3]"
1 82 LEU 1.100 0.189 23 0 "[ . 1 . 2 . 3]"
1 83 VAL 4.223 0.243 3 0 "[ . 1 . 2 . 3]"
1 84 LEU 0.790 0.098 17 0 "[ . 1 . 2 . 3]"
1 85 HIS 0.491 0.094 27 0 "[ . 1 . 2 . 3]"
1 86 TYR 4.039 0.255 11 0 "[ . 1 . 2 . 3]"
1 87 GLN 5.422 0.313 1 0 "[ . 1 . 2 . 3]"
1 88 HIS 1.457 0.200 15 0 "[ . 1 . 2 . 3]"
1 89 THR 8.308 0.283 7 0 "[ . 1 . 2 . 3]"
1 90 SER 5.961 0.283 7 0 "[ . 1 . 2 . 3]"
1 91 LEU 7.982 0.228 9 0 "[ . 1 . 2 . 3]"
1 92 VAL 13.931 0.691 17 4 "[ - . ** . + 2 . 3]"
1 95 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 96 ASP 1.874 0.227 2 0 "[ . 1 . 2 . 3]"
1 97 SER 11.399 0.691 17 4 "[ - . ** . + 2 . 3]"
1 98 LEU 6.484 0.325 11 0 "[ . 1 . 2 . 3]"
1 99 ASN 9.660 0.325 11 0 "[ . 1 . 2 . 3]"
1 100 VAL 4.821 0.221 8 0 "[ . 1 . 2 . 3]"
1 101 THR 10.651 0.313 1 0 "[ . 1 . 2 . 3]"
1 102 LEU 2.908 0.298 7 0 "[ . 1 . 2 . 3]"
1 103 ALA 3.971 0.223 1 0 "[ . 1 . 2 . 3]"
1 104 TYR 4.817 0.224 3 0 "[ . 1 . 2 . 3]"
1 105 PRO 8.702 0.322 22 0 "[ . 1 . 2 . 3]"
1 106 VAL 10.845 0.233 1 0 "[ . 1 . 2 . 3]"
1 107 TYR 5.638 0.275 18 0 "[ . 1 . 2 . 3]"
1 108 ALA 3.049 0.234 3 0 "[ . 1 . 2 . 3]"
1 109 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 110 GLN 0.078 0.031 3 0 "[ . 1 . 2 . 3]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 ASP H 1 3 ASP QB 0.000 . 2.900 2.399 2.253 2.581 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 3 ASP HA 1 3 ASP QB 0.000 . 2.700 2.344 2.198 2.438 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 3 ASP HA 1 4 LEU H 0.000 . 2.800 2.354 2.189 3.067 0.267 17 0 "[ . 1 . 2 . 3]" 1
4 1 3 ASP QB 1 4 LEU H 0.000 . 3.800 3.140 2.242 3.839 0.039 22 0 "[ . 1 . 2 . 3]" 1
5 1 3 ASP QB 1 7 HIS HD2 0.000 . 5.500 4.362 2.351 5.491 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 4 LEU H 1 4 LEU QB 0.000 . 3.100 2.405 2.285 2.474 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 4 LEU H 1 4 LEU HG 0.000 . 4.700 3.090 2.388 4.542 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 4 LEU H 1 5 PRO QD 0.000 . 5.500 4.320 4.063 4.410 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 4 LEU H 1 7 HIS HD2 0.000 . 4.300 2.808 1.781 4.245 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 4 LEU HA 1 5 PRO QD 0.000 . 3.900 1.998 1.965 2.049 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 4 LEU HA 1 6 HIS H 0.000 . 4.300 3.718 3.512 3.859 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 4 LEU QB 1 4 LEU HG 0.000 . 2.600 2.391 2.191 2.516 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 4 LEU QB 1 5 PRO QD 0.000 . 5.400 2.862 2.267 3.676 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 4 LEU QB 1 6 HIS H 0.000 . 2.900 2.570 2.314 3.095 0.195 17 0 "[ . 1 . 2 . 3]" 1
15 1 4 LEU QB 1 6 HIS QB 0.000 . 5.500 2.850 2.663 3.508 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 4 LEU QB 1 7 HIS H 0.000 . 3.800 3.389 2.723 3.809 0.009 7 0 "[ . 1 . 2 . 3]" 1
17 1 4 LEU QB 1 7 HIS HD2 0.000 . 5.100 2.965 2.084 4.823 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 4 LEU QD 1 5 PRO QG 0.000 . 6.500 4.150 3.684 5.140 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 4 LEU QD 1 5 PRO QD 0.000 . 4.400 2.599 2.073 3.650 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 4 LEU QD 1 6 HIS H 0.000 . 6.500 3.692 2.878 3.949 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 4 LEU QD 1 6 HIS HE1 0.000 . 6.500 5.401 4.603 6.057 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 4 LEU QD 1 87 GLN HE21 0.000 . 5.400 4.378 3.269 5.457 0.057 22 0 "[ . 1 . 2 . 3]" 1
23 1 4 LEU QD 1 87 GLN HE22 0.000 . 6.500 3.890 2.342 6.494 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 4 LEU QD 1 84 LEU QD 0.000 . 6.500 2.686 1.961 4.117 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 4 LEU QD 1 87 GLN QG 0.000 . 7.500 5.022 2.841 6.621 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 5 PRO HA 1 6 HIS H 0.000 . 4.700 3.397 3.296 3.496 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 5 PRO HA 1 7 HIS H 0.000 . 4.500 3.708 3.374 4.064 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 5 PRO HA 1 11 THR MG 0.000 . 6.500 2.864 2.279 3.831 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 5 PRO HA 1 108 ALA MB 0.000 . 6.500 5.285 4.398 6.225 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 5 PRO QB 1 6 HIS H 0.000 . 4.700 3.350 2.993 3.696 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 5 PRO QB 1 11 THR MG 0.000 . 5.600 2.227 1.902 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 5 PRO QB 1 108 ALA HA 0.000 . 5.500 3.408 2.689 4.439 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 5 PRO QB 1 108 ALA MB 0.000 . 5.400 3.137 2.387 3.924 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 5 PRO QB 1 105 PRO QD 0.000 . 5.500 3.499 2.933 4.025 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 5 PRO QG 1 6 HIS H 0.000 . 5.500 3.700 3.171 4.155 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 5 PRO QG 1 11 THR MG 0.000 . 6.500 3.801 3.062 4.606 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 5 PRO QG 1 105 PRO QD 0.000 . 5.500 3.052 2.300 3.570 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 5 PRO QG 1 108 ALA HA 0.000 . 5.500 4.386 3.333 5.544 0.044 24 0 "[ . 1 . 2 . 3]" 1
39 1 5 PRO QG 1 108 ALA MB 0.000 . 5.900 3.183 2.447 3.972 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 5 PRO QD 1 6 HIS H 0.000 . 4.500 2.934 2.723 3.064 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 5 PRO QD 1 6 HIS HE1 0.000 . 5.500 5.510 5.240 5.567 0.067 21 0 "[ . 1 . 2 . 3]" 1
42 1 6 HIS H 1 6 HIS QB 0.000 . 3.300 2.409 2.173 2.469 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 6 HIS H 1 7 HIS H 0.000 . 3.700 2.574 2.388 2.783 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 6 HIS H 1 8 ASP H 0.000 . 5.200 4.302 3.866 4.628 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 6 HIS H 1 84 LEU QD 0.000 . 6.500 4.167 3.359 4.724 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 6 HIS HA 1 7 HIS H 0.000 . 4.400 3.473 3.355 3.537 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 6 HIS HA 1 8 ASP H 0.000 . 4.400 3.908 3.559 4.329 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 6 HIS HA 1 12 TRP HD1 0.000 . 4.300 3.514 2.621 4.163 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 6 HIS HA 1 12 TRP HE1 0.000 . 3.600 2.030 1.673 2.493 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 6 HIS HA 1 83 VAL QG 0.000 . 6.500 3.708 3.134 4.499 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 6 HIS HA 1 84 LEU QD 0.000 . 6.500 4.323 3.606 5.146 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 6 HIS QB 1 7 HIS H 0.000 . 3.900 2.947 2.715 3.278 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 6 HIS QB 1 12 TRP HE1 0.000 . 5.500 3.972 3.663 4.361 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 6 HIS QB 1 83 VAL QG 0.000 . 6.400 3.252 2.120 4.161 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 6 HIS QB 1 84 LEU HA 0.000 . 5.500 4.351 3.176 5.538 0.038 23 0 "[ . 1 . 2 . 3]" 1
56 1 6 HIS QB 1 84 LEU QD 0.000 . 5.100 2.261 1.644 2.871 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 6 HIS HD2 1 84 LEU QD 0.000 . 6.500 2.577 1.957 4.410 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 6 HIS HE1 1 34 PHE QE 0.000 . 5.500 3.669 3.185 4.199 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 6 HIS HE1 1 34 PHE HZ 0.000 . 5.500 5.495 5.300 5.629 0.129 13 0 "[ . 1 . 2 . 3]" 1
60 1 6 HIS HE1 1 84 LEU HA 0.000 . 5.500 4.841 3.351 5.522 0.022 18 0 "[ . 1 . 2 . 3]" 1
61 1 6 HIS HE1 1 87 GLN QB 0.000 . 5.500 3.709 2.212 4.698 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 6 HIS HE1 1 87 GLN QG 0.000 . 6.500 4.403 2.454 5.947 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 7 HIS H 1 7 HIS QB 0.000 . 3.100 2.399 2.331 2.509 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 7 HIS H 1 8 ASP H 0.000 . 3.100 2.643 2.442 2.773 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 7 HIS H 1 84 LEU QD 0.000 . 6.500 4.692 3.267 5.615 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 7 HIS HA 1 8 ASP H 0.000 . 3.600 3.510 3.428 3.574 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 7 HIS HA 1 84 LEU QD 0.000 . 6.500 4.870 3.250 5.963 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 7 HIS QB 1 8 ASP H 0.000 . 3.700 2.817 2.399 3.717 0.017 9 0 "[ . 1 . 2 . 3]" 1
69 1 7 HIS QB 1 84 LEU QD 0.000 . 6.500 5.534 3.605 6.518 0.018 23 0 "[ . 1 . 2 . 3]" 1
70 1 7 HIS HD2 1 84 LEU QD 0.000 . 6.500 5.176 3.333 6.445 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 7 HIS HE1 1 84 LEU QD 0.000 . 6.300 4.974 3.368 6.392 0.092 15 0 "[ . 1 . 2 . 3]" 1
72 1 8 ASP H 1 8 ASP HA 0.000 . 2.800 2.958 2.942 2.977 0.177 17 0 "[ . 1 . 2 . 3]" 1
73 1 8 ASP H 1 8 ASP QB 0.000 . 2.900 2.410 2.307 2.824 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 8 ASP H 1 9 GLU H 0.000 . 4.800 4.461 4.315 4.534 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 8 ASP H 1 11 THR MG 0.000 . 5.600 3.737 3.262 4.905 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 8 ASP HA 1 9 GLU H 0.000 . 3.300 2.193 2.167 2.229 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 8 ASP HA 1 10 LYS H 0.000 . 3.800 3.752 3.500 3.907 0.107 7 0 "[ . 1 . 2 . 3]" 1
78 1 8 ASP QB 1 9 GLU H 0.000 . 3.700 3.327 3.098 3.801 0.101 8 0 "[ . 1 . 2 . 3]" 1
79 1 8 ASP QB 1 10 LYS H 0.000 . 3.600 2.954 2.398 3.684 0.084 8 0 "[ . 1 . 2 . 3]" 1
80 1 8 ASP QB 1 11 THR H 0.000 . 4.300 2.913 2.548 3.792 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 8 ASP QB 1 11 THR MG 0.000 . 4.900 2.317 1.829 3.741 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 9 GLU H 1 9 GLU QB 0.000 . 3.300 2.324 2.087 2.466 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 9 GLU H 1 9 GLU QG 0.000 . 3.800 3.125 2.265 3.969 0.169 20 0 "[ . 1 . 2 . 3]" 1
84 1 9 GLU H 1 10 LYS H 0.000 . 3.900 2.568 2.460 2.655 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 9 GLU H 1 10 LYS QB 0.000 . 4.500 4.515 4.185 4.700 0.200 1 0 "[ . 1 . 2 . 3]" 1
86 1 9 GLU HA 1 9 GLU QG 0.000 . 3.800 2.410 2.088 3.401 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 9 GLU HA 1 10 LYS H 0.000 . 5.000 3.469 3.272 3.548 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 9 GLU HA 1 11 THR H 0.000 . 4.100 3.936 3.649 4.179 0.079 9 0 "[ . 1 . 2 . 3]" 1
89 1 9 GLU HA 1 11 THR MG 0.000 . 6.500 5.365 4.923 6.346 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 9 GLU HA 1 12 TRP H 0.000 . 4.700 3.577 3.236 3.892 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 9 GLU HA 1 12 TRP HD1 0.000 . 5.500 4.801 4.581 5.073 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 9 GLU HA 1 12 TRP HE1 0.000 . 5.500 3.533 3.225 3.945 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 9 GLU HA 1 12 TRP HZ2 0.000 . 5.500 2.833 2.544 3.072 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 9 GLU HA 1 36 VAL MG1 0.000 . 6.500 6.058 5.592 6.585 0.085 24 0 "[ . 1 . 2 . 3]" 1
95 1 9 GLU QB 1 10 LYS H 0.000 . 5.100 2.907 2.506 3.832 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 9 GLU QB 1 12 TRP HZ2 0.000 . 5.500 4.214 3.606 4.756 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 9 GLU QB 1 80 LYS QE 0.000 . 6.500 4.898 3.443 6.562 0.062 23 0 "[ . 1 . 2 . 3]" 1
98 1 9 GLU QG 1 12 TRP H 0.000 . 5.500 4.945 4.194 5.425 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 9 GLU QG 1 12 TRP HZ3 0.000 . 4.700 3.319 2.453 4.602 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 9 GLU QG 1 12 TRP HZ2 0.000 . 5.500 3.621 2.770 5.552 0.052 17 0 "[ . 1 . 2 . 3]" 1
101 1 9 GLU QG 1 13 ASN H 0.000 . 5.500 4.201 3.394 4.959 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 9 GLU QG 1 13 ASN QB 0.000 . 4.700 2.679 1.798 3.544 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 9 GLU QG 1 13 ASN QD 0.000 . 5.500 3.226 1.736 4.451 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 9 GLU QG 1 36 VAL HB 0.000 . 5.500 5.295 4.419 5.774 0.274 7 0 "[ . 1 . 2 . 3]" 1
105 1 9 GLU QG 1 36 VAL MG2 0.000 . 6.500 5.235 4.373 6.029 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 9 GLU QG 1 12 TRP HH2 0.000 . 4.700 2.860 2.151 4.869 0.169 17 0 "[ . 1 . 2 . 3]" 1
107 1 10 LYS H 1 10 LYS QB 0.000 . 3.900 2.331 2.130 2.559 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 10 LYS H 1 10 LYS QE 0.000 . 5.800 3.295 1.485 4.361 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 10 LYS H 1 11 THR H 0.000 . 3.200 2.714 2.648 2.824 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 10 LYS H 1 11 THR MG 0.000 . 6.500 4.294 3.919 5.352 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 10 LYS H 1 12 TRP H 0.000 . 4.500 4.386 4.188 4.572 0.072 1 0 "[ . 1 . 2 . 3]" 1
112 1 10 LYS HA 1 12 TRP H 0.000 . 4.000 4.093 3.941 4.191 0.191 15 0 "[ . 1 . 2 . 3]" 1
113 1 10 LYS HA 1 13 ASN H 0.000 . 3.700 3.517 3.102 3.787 0.087 5 0 "[ . 1 . 2 . 3]" 1
114 1 10 LYS QB 1 10 LYS QE 0.000 . 3.800 2.918 1.997 3.600 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 10 LYS QB 1 11 THR H 0.000 . 3.800 3.323 2.575 3.762 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 10 LYS QB 1 11 THR MG 0.000 . 6.500 4.008 3.122 4.634 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 10 LYS QG 1 108 ALA HA 0.000 . 6.200 5.817 5.038 6.434 0.234 3 0 "[ . 1 . 2 . 3]" 1
118 1 10 LYS QD 1 11 THR MG 0.000 . 7.500 3.758 2.213 5.903 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 10 LYS QE 1 12 TRP HE1 0.000 . 5.600 5.793 5.646 5.979 0.379 23 0 "[ . 1 . 2 . 3]" 1
120 1 11 THR H 1 11 THR HB 0.000 . 4.400 3.587 3.285 3.648 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 11 THR H 1 11 THR MG 0.000 . 3.800 2.386 2.126 3.279 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 11 THR H 1 12 TRP H 0.000 . 2.700 2.709 2.522 2.866 0.166 8 0 "[ . 1 . 2 . 3]" 1
123 1 11 THR H 1 12 TRP HD1 0.000 . 5.500 4.011 3.715 4.275 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 11 THR HA 1 12 TRP H 0.000 . 4.700 3.530 3.491 3.552 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 11 THR HA 1 12 TRP HE1 0.000 . 5.500 5.618 5.354 5.789 0.289 15 0 "[ . 1 . 2 . 3]" 1
126 1 11 THR HA 1 107 TYR H 0.000 . 4.000 3.177 2.764 3.312 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 11 THR HA 1 107 TYR HA 0.000 . 4.200 4.346 4.211 4.475 0.275 18 0 "[ . 1 . 2 . 3]" 1
128 1 11 THR HA 1 107 TYR QB 0.000 . 4.000 2.379 2.073 3.447 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 11 THR HA 1 107 TYR QD 0.000 . 7.500 4.305 3.829 5.376 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 11 THR HA 1 108 ALA HA 0.000 . 4.200 3.475 2.184 4.038 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 11 THR HA 1 108 ALA MB 0.000 . 6.500 4.483 2.928 5.242 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 11 THR HB 1 105 PRO HA 0.000 . 5.500 4.365 3.834 4.673 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 11 THR HB 1 105 PRO QB 0.000 . 6.500 1.996 1.902 2.123 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 11 THR HB 1 107 TYR QB 0.000 . 5.500 4.460 4.079 5.520 0.020 9 0 "[ . 1 . 2 . 3]" 1
135 1 11 THR HB 1 107 TYR QD 0.000 . 7.500 6.180 5.816 7.265 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 11 THR HB 1 108 ALA H 0.000 . 5.500 4.515 3.821 5.391 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 11 THR HB 1 108 ALA HA 0.000 . 4.900 3.140 2.240 4.527 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 11 THR HB 1 108 ALA MB 0.000 . 5.800 3.624 2.250 4.601 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 11 THR MG 1 12 TRP H 0.000 . 6.200 4.093 4.020 4.325 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 11 THR MG 1 12 TRP HE1 0.000 . 6.500 3.983 3.711 4.763 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 11 THR MG 1 104 TYR QD 0.000 . 8.500 7.715 6.551 8.302 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 11 THR MG 1 105 PRO QB 0.000 . 7.500 3.296 2.011 3.515 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 11 THR MG 1 105 PRO QG 0.000 . 7.500 3.320 2.069 3.732 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 11 THR MG 1 105 PRO QD 0.000 . 6.400 4.893 3.777 5.261 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 11 THR MG 1 107 TYR H 0.000 . 6.500 4.604 3.415 4.915 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 11 THR MG 1 107 TYR QB 0.000 . 6.500 3.798 3.491 4.711 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 11 THR MG 1 108 ALA H 0.000 . 5.800 4.385 2.973 4.893 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 11 THR MG 1 108 ALA HA 0.000 . 5.100 2.369 1.926 3.115 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 11 THR MG 1 108 ALA MB 0.000 . 5.700 3.397 1.828 4.318 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 12 TRP H 1 12 TRP HD1 0.000 . 4.900 2.704 2.423 3.025 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 12 TRP H 1 12 TRP HE1 0.000 . 5.500 3.763 3.545 3.953 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 12 TRP H 1 13 ASN H 0.000 . 2.800 1.927 1.772 2.019 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 12 TRP H 1 13 ASN HA 0.000 . 5.500 4.690 4.563 4.785 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 12 TRP H 1 13 ASN QB 0.000 . 3.900 3.865 3.689 4.039 0.139 21 0 "[ . 1 . 2 . 3]" 1
155 1 12 TRP H 1 105 PRO HA 0.000 . 5.000 5.195 5.100 5.322 0.322 22 0 "[ . 1 . 2 . 3]" 1
156 1 12 TRP HA 1 13 ASN H 0.000 . 3.900 3.486 3.363 3.556 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 12 TRP HA 1 106 VAL MG1 0.000 . 5.700 2.399 2.081 2.914 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 12 TRP HA 1 106 VAL MG2 0.000 . 6.500 4.990 4.635 5.364 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 12 TRP QB 1 34 PHE HZ 0.000 . 5.500 2.841 2.578 3.144 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 12 TRP QB 1 36 VAL MG2 0.000 . 6.500 2.319 2.082 2.497 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 12 TRP QB 1 34 PHE QE 0.000 . 5.500 2.730 2.085 3.083 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 12 TRP QB 1 36 VAL HB 0.000 . 3.400 3.336 2.794 3.520 0.120 27 0 "[ . 1 . 2 . 3]" 1
163 1 12 TRP QB 1 105 PRO HA 0.000 . 5.500 2.811 2.610 3.215 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 12 TRP QB 1 105 PRO QB 0.000 . 6.500 3.068 2.352 3.737 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 12 TRP QB 1 106 VAL MG1 0.000 . 6.500 3.861 3.495 4.387 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 12 TRP HD1 1 13 ASN H 0.000 . 5.500 4.426 4.211 4.800 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 12 TRP HD1 1 34 PHE QE 0.000 . 5.500 4.645 3.685 5.089 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 12 TRP HD1 1 34 PHE HZ 0.000 . 5.500 5.477 5.322 5.652 0.152 1 0 "[ . 1 . 2 . 3]" 1
169 1 12 TRP HD1 1 105 PRO HA 0.000 . 5.500 3.776 3.337 4.072 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 12 TRP HD1 1 105 PRO QB 0.000 . 6.500 2.201 2.067 2.824 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 12 TRP HE3 1 13 ASN HA 0.000 . 5.500 3.931 3.602 4.105 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 12 TRP HE3 1 13 ASN QB 0.000 . 5.200 3.307 2.879 4.559 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 12 TRP HE3 1 34 PHE QE 0.000 . 5.500 4.279 3.975 4.771 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 12 TRP HE3 1 36 VAL H 0.000 . 5.500 4.291 3.689 5.496 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 12 TRP HE3 1 36 VAL HB 0.000 . 3.800 2.633 2.192 3.058 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 12 TRP HE3 1 36 VAL MG1 0.000 . 6.500 3.348 2.718 3.699 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 12 TRP HE3 1 36 VAL MG2 0.000 . 4.100 2.037 1.927 2.216 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 12 TRP HE3 1 83 VAL QG 0.000 . 6.500 2.871 2.526 3.414 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 12 TRP HE1 1 80 LYS QG 0.000 . 6.500 5.772 4.745 6.515 0.015 15 0 "[ . 1 . 2 . 3]" 1
180 1 12 TRP HE1 1 83 VAL QG 0.000 . 6.500 4.150 3.567 4.793 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 12 TRP HZ3 1 13 ASN HA 0.000 . 5.500 5.416 4.986 5.648 0.148 6 0 "[ . 1 . 2 . 3]" 1
182 1 12 TRP HZ3 1 13 ASN QB 0.000 . 5.500 3.781 3.299 5.119 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 12 TRP HZ3 1 36 VAL HB 0.000 . 5.000 4.188 3.606 4.737 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 12 TRP HZ3 1 36 VAL MG1 0.000 . 6.000 3.528 3.003 4.172 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 12 TRP HZ3 1 36 VAL MG2 0.000 . 3.900 3.228 2.704 3.974 0.074 20 0 "[ . 1 . 2 . 3]" 1
186 1 12 TRP HZ3 1 80 LYS QB 0.000 . 6.500 6.080 5.612 6.597 0.097 7 0 "[ . 1 . 2 . 3]" 1
187 1 12 TRP HZ3 1 83 VAL QG 0.000 . 6.500 3.020 2.550 3.955 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 12 TRP HZ2 1 80 LYS HA 0.000 . 4.200 4.198 3.890 4.415 0.215 11 0 "[ . 1 . 2 . 3]" 1
189 1 12 TRP HZ2 1 80 LYS QB 0.000 . 6.500 4.681 4.325 5.219 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 12 TRP HZ2 1 80 LYS QG 0.000 . 6.200 3.275 2.383 4.152 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 12 TRP HZ2 1 80 LYS QD 0.000 . 6.500 4.654 2.284 5.474 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 12 TRP HZ2 1 80 LYS QE 0.000 . 6.500 3.890 2.298 4.809 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 12 TRP HZ2 1 83 VAL HB 0.000 . 5.500 5.092 4.398 5.563 0.063 11 0 "[ . 1 . 2 . 3]" 1
194 1 12 TRP HZ2 1 83 VAL QG 0.000 . 6.500 3.973 3.004 4.518 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 12 TRP HH2 1 80 LYS HA 0.000 . 4.800 3.211 2.715 3.846 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 12 TRP HH2 1 80 LYS QG 0.000 . 6.500 2.800 2.164 4.104 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 12 TRP HH2 1 80 LYS QD 0.000 . 6.500 4.654 2.338 5.875 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 12 TRP HH2 1 83 VAL QG 0.000 . 6.500 3.597 3.254 4.081 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 13 ASN H 1 13 ASN QB 0.000 . 2.900 2.354 2.302 2.558 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 13 ASN H 1 14 VAL H 0.000 . 4.800 4.510 4.400 4.622 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 13 ASN HA 1 14 VAL H 0.000 . 2.900 2.170 2.102 2.231 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 13 ASN HA 1 14 VAL QG 0.000 . 6.500 3.559 3.131 3.915 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 13 ASN HA 1 15 GLY H 0.000 . 3.600 3.586 3.379 3.719 0.119 1 0 "[ . 1 . 2 . 3]" 1
204 1 13 ASN HA 1 36 VAL H 0.000 . 3.700 2.649 2.151 3.252 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 13 ASN HA 1 36 VAL HB 0.000 . 5.500 2.189 2.084 2.500 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 13 ASN HA 1 36 VAL MG1 0.000 . 6.500 3.290 2.936 3.634 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 13 ASN HA 1 36 VAL MG2 0.000 . 6.400 3.788 3.668 4.008 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 13 ASN QB 1 36 VAL MG1 0.000 . 6.400 3.426 2.723 4.336 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 13 ASN QB 1 36 VAL MG2 0.000 . 6.500 4.079 3.567 4.935 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 13 ASN QB 1 14 VAL H 0.000 . 5.400 3.648 2.950 3.870 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 13 ASN QB 1 15 GLY H 0.000 . 4.500 3.839 3.119 4.335 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 13 ASN QD 1 36 VAL MG1 0.000 . 6.500 3.872 2.070 5.242 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 13 ASN QD 1 79 LEU QD 0.000 . 6.500 5.644 3.885 6.584 0.084 21 0 "[ . 1 . 2 . 3]" 1
214 1 13 ASN QD 1 15 GLY H 0.000 . 5.500 3.591 2.832 5.297 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 13 ASN QD 1 36 VAL HB 0.000 . 5.500 4.596 1.896 5.580 0.080 22 0 "[ . 1 . 2 . 3]" 1
216 1 14 VAL H 1 14 VAL HB 0.000 . 3.800 3.137 2.495 3.905 0.105 22 0 "[ . 1 . 2 . 3]" 1
217 1 14 VAL H 1 14 VAL QG 0.000 . 3.800 2.225 1.809 2.828 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 14 VAL H 1 35 LEU MD1 0.000 . 6.500 4.117 3.374 6.301 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 14 VAL H 1 36 VAL H 0.000 . 3.500 3.400 3.182 3.644 0.144 29 0 "[ . 1 . 2 . 3]" 1
220 1 14 VAL H 1 36 VAL HB 0.000 . 5.500 3.908 3.428 4.183 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 14 VAL H 1 37 ARG HA 0.000 . 3.900 3.568 3.086 3.857 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 14 VAL HA 1 15 GLY H 0.000 . 3.500 3.167 2.824 3.431 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 14 VAL HA 1 107 TYR QE 0.000 . 7.500 4.018 2.245 6.838 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 14 VAL HB 1 15 GLY H 0.000 . 4.400 4.102 3.193 4.533 0.133 17 0 "[ . 1 . 2 . 3]" 1
225 1 14 VAL HB 1 17 SER QB 0.000 . 5.500 3.692 2.175 4.951 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 14 VAL HB 1 25 LEU QD 0.000 . 6.500 4.145 3.003 5.389 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 14 VAL HB 1 35 LEU MD2 0.000 . 6.500 5.239 3.726 6.370 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 14 VAL HB 1 107 TYR QE 0.000 . 7.500 3.603 2.170 7.254 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 14 VAL QG 1 15 GLY H 0.000 . 5.400 3.140 2.248 3.736 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 14 VAL QG 1 17 SER QB 0.000 . 5.500 2.253 1.743 3.216 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 14 VAL QG 1 36 VAL H 0.000 . 4.700 3.427 2.672 4.455 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 14 VAL QG 1 37 ARG H 0.000 . 6.500 4.907 4.159 5.792 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 14 VAL QG 1 37 ARG HA 0.000 . 5.000 3.739 2.458 4.838 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 14 VAL QG 1 37 ARG QB 0.000 . 3.900 3.124 1.987 4.046 0.146 4 0 "[ . 1 . 2 . 3]" 1
235 1 14 VAL QG 1 37 ARG QD 0.000 . 6.500 3.753 2.090 5.835 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 14 VAL QG 1 38 GLU H 0.000 . 6.500 5.125 3.936 6.177 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 14 VAL QG 1 106 VAL H 0.000 . 6.500 5.241 4.319 6.530 0.030 21 0 "[ . 1 . 2 . 3]" 1
238 1 14 VAL QG 1 106 VAL MG1 0.000 . 5.700 2.582 1.896 3.794 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 14 VAL QG 1 106 VAL MG2 0.000 . 7.200 3.513 2.780 4.343 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 14 VAL QG 1 107 TYR QD 0.000 . 8.500 2.906 1.908 4.230 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 14 VAL QG 1 35 LEU HA 0.000 . 6.500 4.144 3.359 5.152 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 14 VAL QG 1 107 TYR QE 0.000 . 7.800 2.214 1.825 4.840 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 15 GLY H 1 37 ARG HA 0.000 . 3.500 3.431 2.933 3.662 0.162 2 0 "[ . 1 . 2 . 3]" 1
244 1 17 SER HA 1 21 LYS QD 0.000 . 6.500 3.947 2.182 6.344 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 17 SER HA 1 21 LYS QE 0.000 . 6.500 4.674 2.667 6.532 0.032 5 0 "[ . 1 . 2 . 3]" 1
246 1 17 SER QB 1 21 LYS QB 0.000 . 6.500 3.666 2.309 5.805 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 17 SER QB 1 21 LYS QD 0.000 . 6.500 3.579 2.016 5.813 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 17 SER QB 1 22 ALA MB 0.000 . 6.100 3.937 3.271 4.720 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 17 SER QB 1 35 LEU MD1 0.000 . 6.500 4.205 2.678 5.764 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 17 SER QB 1 37 ARG QB 0.000 . 4.500 3.809 2.870 4.699 0.199 22 0 "[ . 1 . 2 . 3]" 1
251 1 17 SER QB 1 37 ARG QD 0.000 . 5.300 3.594 2.056 5.099 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 17 SER QB 1 21 LYS QG 0.000 . 5.500 3.779 2.493 5.363 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 17 SER QB 1 37 ARG HA 0.000 . 5.500 5.279 4.761 5.569 0.069 21 0 "[ . 1 . 2 . 3]" 1
254 1 19 ARG HA 1 20 ASN H 0.000 . 4.200 3.531 3.190 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 19 ARG HA 1 22 ALA H 0.000 . 4.000 3.214 3.007 3.402 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 19 ARG HA 1 22 ALA MB 0.000 . 5.100 2.287 1.962 2.570 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 19 ARG HA 1 23 GLU H 0.000 . 5.500 4.392 4.032 4.867 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 19 ARG HA 1 57 HIS HE1 0.000 . 5.500 5.208 3.408 5.651 0.151 4 0 "[ . 1 . 2 . 3]" 1
259 1 19 ARG QB 1 20 ASN H 0.000 . 4.800 2.749 2.459 3.582 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 19 ARG QB 1 20 ASN QB 0.000 . 7.500 4.314 3.886 4.750 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 19 ARG QG 1 38 GLU QG 0.000 . 6.500 6.564 6.225 6.721 0.221 8 0 "[ . 1 . 2 . 3]" 1
262 1 19 ARG QG 1 57 HIS HD2 0.000 . 5.500 5.349 4.227 5.616 0.116 5 0 "[ . 1 . 2 . 3]" 1
263 1 19 ARG QD 1 20 ASN QB 0.000 . 7.500 6.378 5.731 7.013 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 19 ARG QD 1 37 ARG QG 0.000 . 6.500 5.717 3.637 6.655 0.155 18 0 "[ . 1 . 2 . 3]" 1
265 1 19 ARG QD 1 57 HIS HD2 0.000 . 6.500 5.073 2.380 6.261 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 20 ASN H 1 20 ASN QB 0.000 . 3.700 2.370 2.261 2.547 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 20 ASN H 1 21 LYS H 0.000 . 3.400 2.712 2.567 2.982 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 20 ASN HA 1 22 ALA MB 0.000 . 6.500 4.660 4.398 4.937 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 20 ASN HA 1 23 GLU H 0.000 . 3.600 3.489 3.197 3.709 0.109 11 0 "[ . 1 . 2 . 3]" 1
270 1 20 ASN HA 1 23 GLU QB 0.000 . 4.100 3.274 2.827 4.049 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 20 ASN QB 1 21 LYS H 0.000 . 5.000 2.734 2.383 3.479 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 20 ASN QB 1 21 LYS HA 0.000 . 6.100 4.108 3.879 4.463 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 20 ASN QB 1 21 LYS QB 0.000 . 7.500 4.117 3.778 4.724 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 21 LYS H 1 21 LYS HA 0.000 . 3.100 2.872 2.848 2.919 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 21 LYS H 1 21 LYS QB 0.000 . 3.500 2.306 2.253 2.485 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 21 LYS H 1 21 LYS QG 0.000 . 4.400 3.665 2.128 4.069 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 21 LYS H 1 21 LYS QE 0.000 . 6.500 5.319 3.456 6.119 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 21 LYS H 1 22 ALA H 0.000 . 3.300 2.584 2.411 2.681 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 21 LYS H 1 22 ALA MB 0.000 . 6.500 4.236 4.106 4.351 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 21 LYS HA 1 24 ASN H 0.000 . 3.400 3.300 3.013 3.464 0.064 5 0 "[ . 1 . 2 . 3]" 1
281 1 21 LYS HA 1 24 ASN QB 0.000 . 3.500 2.884 2.384 3.512 0.012 4 0 "[ . 1 . 2 . 3]" 1
282 1 21 LYS HA 1 24 ASN QD 0.000 . 5.500 3.604 1.658 5.317 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 21 LYS QB 1 22 ALA H 0.000 . 5.300 2.839 2.514 3.628 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 21 LYS QB 1 25 LEU QD 0.000 . 7.500 3.606 2.875 4.080 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 21 LYS QB 1 35 LEU MD1 0.000 . 7.500 6.115 5.123 7.552 0.052 27 0 "[ . 1 . 2 . 3]" 1
286 1 21 LYS QG 1 22 ALA H 0.000 . 5.500 3.475 2.076 3.900 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 21 LYS QG 1 25 LEU H 0.000 . 4.100 3.907 3.439 4.267 0.167 11 0 "[ . 1 . 2 . 3]" 1
288 1 21 LYS QG 1 25 LEU QD 0.000 . 6.200 2.422 2.147 2.774 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 21 LYS QG 1 25 LEU QB 0.000 . 5.000 4.115 3.741 4.572 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 21 LYS QD 1 22 ALA H 0.000 . 6.500 4.671 4.104 5.232 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 21 LYS QD 1 24 ASN QB 0.000 . 6.500 4.828 2.863 6.189 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 21 LYS QD 1 25 LEU QD 0.000 . 7.500 3.339 2.532 4.265 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 21 LYS QE 1 25 LEU QD 0.000 . 7.500 3.099 2.150 4.487 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 22 ALA H 1 22 ALA HA 0.000 . 2.900 2.845 2.820 2.864 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 22 ALA H 1 23 GLU H 0.000 . 3.500 2.710 2.578 2.840 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 22 ALA HA 1 23 GLU H 0.000 . 4.300 3.552 3.508 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 22 ALA HA 1 25 LEU H 0.000 . 3.700 3.206 3.092 3.326 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 22 ALA HA 1 25 LEU QB 0.000 . 3.300 2.285 2.153 2.556 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 22 ALA HA 1 25 LEU QD 0.000 . 4.700 2.597 2.190 3.210 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 22 ALA HA 1 26 LEU MD2 0.000 . 6.500 5.191 4.797 5.520 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 22 ALA HA 1 35 LEU MD1 0.000 . 6.500 3.718 2.786 4.751 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 22 ALA HA 1 35 LEU MD2 0.000 . 5.500 3.909 3.166 5.019 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 22 ALA MB 1 23 GLU H 0.000 . 4.300 2.607 2.407 2.817 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 22 ALA MB 1 23 GLU QB 0.000 . 6.500 4.244 3.871 4.465 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 22 ALA MB 1 23 GLU QG 0.000 . 7.500 3.910 3.236 5.242 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 22 ALA MB 1 25 LEU QB 0.000 . 5.600 3.630 3.405 3.855 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 22 ALA MB 1 25 LEU QD 0.000 . 6.900 3.680 3.354 4.326 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 22 ALA MB 1 26 LEU MD1 0.000 . 6.900 2.251 2.025 2.571 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 22 ALA MB 1 35 LEU MD1 0.000 . 7.100 2.952 2.354 4.676 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 22 ALA MB 1 35 LEU MD2 0.000 . 5.400 3.376 2.326 4.430 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 22 ALA MB 1 37 ARG QD 0.000 . 6.200 3.101 2.322 4.570 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 22 ALA MB 1 48 SER QB 0.000 . 6.500 3.535 3.031 4.109 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 22 ALA MB 1 55 VAL QG 0.000 . 7.500 4.465 3.760 5.534 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 22 ALA MB 1 57 HIS HE1 0.000 . 6.000 3.518 2.250 4.773 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 23 GLU H 1 23 GLU HA 0.000 . 3.100 2.846 2.817 2.864 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 23 GLU H 1 23 GLU QB 0.000 . 2.800 2.375 2.246 2.680 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 23 GLU H 1 23 GLU QG 0.000 . 5.000 2.755 1.831 3.979 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 23 GLU H 1 24 ASN H 0.000 . 3.000 2.741 2.655 2.876 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 23 GLU H 1 26 LEU H 0.000 . 4.300 4.400 4.320 4.510 0.210 18 0 "[ . 1 . 2 . 3]" 1
320 1 23 GLU H 1 26 LEU MD1 0.000 . 6.500 3.722 3.498 4.161 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 23 GLU H 1 26 LEU MD2 0.000 . 6.500 6.187 6.036 6.398 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 23 GLU H 1 55 VAL QG 0.000 . 6.500 5.171 4.513 6.159 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 23 GLU HA 1 24 ASN H 0.000 . 4.400 3.564 3.544 3.602 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 23 GLU HA 1 26 LEU H 0.000 . 3.300 3.211 3.034 3.324 0.024 20 0 "[ . 1 . 2 . 3]" 1
325 1 23 GLU HA 1 26 LEU QB 0.000 . 4.700 2.319 2.153 2.478 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 23 GLU HA 1 26 LEU MD1 0.000 . 6.500 2.569 2.159 3.171 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 23 GLU HA 1 55 VAL QG 0.000 . 5.500 3.186 2.545 4.091 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 23 GLU QB 1 24 ASN H 0.000 . 3.100 2.477 2.304 3.242 0.142 3 0 "[ . 1 . 2 . 3]" 1
329 1 23 GLU QB 1 55 VAL QG 0.000 . 5.500 4.161 3.143 4.987 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 23 GLU QG 1 24 ASN H 0.000 . 6.500 3.853 1.731 4.143 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 23 GLU QG 1 55 VAL HB 0.000 . 6.500 5.120 3.885 6.489 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 23 GLU QG 1 55 VAL QG 0.000 . 7.500 3.582 2.781 4.791 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 23 GLU QG 1 57 HIS HE1 0.000 . 6.500 4.283 2.727 5.582 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 24 ASN H 1 24 ASN HA 0.000 . 3.000 2.850 2.831 2.861 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 24 ASN H 1 24 ASN QB 0.000 . 2.800 2.354 2.245 2.431 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 24 ASN H 1 25 LEU QD 0.000 . 6.500 4.754 3.462 4.949 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 24 ASN H 1 27 ARG QB 0.000 . 3.900 4.194 4.087 4.302 0.402 17 0 "[ . 1 . 2 . 3]" 1
338 1 24 ASN HA 1 25 LEU H 0.000 . 3.900 3.556 3.513 3.584 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 24 ASN HA 1 26 LEU H 0.000 . 4.300 4.255 4.028 4.410 0.110 1 0 "[ . 1 . 2 . 3]" 1
340 1 24 ASN QB 1 25 LEU H 0.000 . 3.300 2.543 2.360 3.372 0.072 4 0 "[ . 1 . 2 . 3]" 1
341 1 24 ASN QB 1 25 LEU HG 0.000 . 5.500 3.413 3.123 4.539 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 25 LEU H 1 25 LEU HA 0.000 . 2.900 2.885 2.861 2.904 0.004 15 0 "[ . 1 . 2 . 3]" 1
343 1 25 LEU H 1 25 LEU QB 0.000 . 2.800 2.372 2.331 2.463 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 25 LEU H 1 25 LEU HG 0.000 . 3.200 2.420 2.147 3.404 0.204 2 0 "[ . 1 . 2 . 3]" 1
345 1 25 LEU H 1 25 LEU QD 0.000 . 4.300 3.064 1.648 3.240 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 25 LEU H 1 26 LEU H 0.000 . 3.200 2.549 2.472 2.655 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 25 LEU H 1 27 ARG H 0.000 . 4.400 3.735 3.634 3.883 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 25 LEU H 1 35 LEU MD2 0.000 . 6.500 5.307 4.523 6.172 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 25 LEU H 1 106 VAL MG2 0.000 . 6.500 5.752 5.195 6.268 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 25 LEU HA 1 25 LEU HG 0.000 . 4.500 2.925 2.737 3.706 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 25 LEU HA 1 25 LEU QD 0.000 . 4.000 2.068 1.942 2.150 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 25 LEU HA 1 26 LEU H 0.000 . 4.900 3.524 3.474 3.560 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 25 LEU HA 1 35 LEU MD2 0.000 . 6.500 5.161 4.246 5.802 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 25 LEU HA 1 106 VAL MG1 0.000 . 6.500 6.402 5.916 6.601 0.101 18 0 "[ . 1 . 2 . 3]" 1
355 1 25 LEU HA 1 106 VAL MG2 0.000 . 6.500 4.274 3.653 4.714 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 25 LEU QB 1 26 LEU H 0.000 . 3.100 2.720 2.540 2.885 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 25 LEU QB 1 106 VAL MG2 0.000 . 4.700 2.690 2.115 3.199 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 25 LEU QB 1 35 LEU MD1 0.000 . 6.500 3.563 2.124 4.210 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 25 LEU QB 1 35 LEU MD2 0.000 . 5.900 2.898 2.033 3.642 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 25 LEU QB 1 106 VAL MG1 0.000 . 6.500 4.348 3.876 4.590 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 25 LEU HG 1 106 VAL MG1 0.000 . 6.500 6.292 5.337 6.588 0.088 3 0 "[ . 1 . 2 . 3]" 1
362 1 25 LEU HG 1 106 VAL MG2 0.000 . 5.600 4.882 4.443 5.541 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 25 LEU QD 1 26 LEU H 0.000 . 6.500 4.121 3.646 4.231 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 25 LEU QD 1 106 VAL MG1 0.000 . 5.600 3.587 3.232 3.926 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 25 LEU QD 1 106 VAL MG2 0.000 . 5.800 2.676 2.282 3.122 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 25 LEU QD 1 107 TYR QD 0.000 . 8.500 4.360 3.582 5.013 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 25 LEU QD 1 107 TYR QE 0.000 . 8.500 3.049 2.079 5.137 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 26 LEU H 1 26 LEU QB 0.000 . 2.800 2.375 2.320 2.465 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 26 LEU H 1 26 LEU HG 0.000 . 2.800 2.611 2.496 2.769 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 26 LEU H 1 26 LEU MD1 0.000 . 4.800 3.275 2.894 3.510 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 26 LEU H 1 26 LEU MD2 0.000 . 4.900 3.954 3.808 4.094 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 26 LEU H 1 27 ARG H 0.000 . 3.100 2.311 2.174 2.482 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 26 LEU H 1 27 ARG QB 0.000 . 4.300 4.028 3.763 4.294 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 26 LEU H 1 35 LEU MD2 0.000 . 6.500 4.433 3.701 4.986 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 26 LEU H 1 50 VAL QG 0.000 . 7.900 4.541 4.156 5.112 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 26 LEU H 1 55 VAL QG 0.000 . 6.100 4.174 3.691 4.774 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 26 LEU HA 1 26 LEU MD2 0.000 . 4.600 2.307 2.120 2.583 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 26 LEU HA 1 27 ARG H 0.000 . 3.500 3.387 3.318 3.499 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 26 LEU HA 1 29 LYS QG 0.000 . 6.000 3.200 2.234 3.907 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 26 LEU HA 1 29 LYS QD 0.000 . 6.500 4.321 2.340 5.566 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 26 LEU HA 1 29 LYS QE 0.000 . 6.500 4.854 2.147 6.088 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 26 LEU HA 1 50 VAL QG 0.000 . 7.900 2.403 1.949 3.027 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 26 LEU QB 1 26 LEU MD2 0.000 . 3.000 2.116 2.041 2.183 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 26 LEU QB 1 35 LEU MD2 0.000 . 5.700 4.312 3.723 5.337 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 26 LEU QB 1 50 VAL QG 0.000 . 7.300 2.268 1.968 2.679 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 26 LEU QB 1 55 VAL QG 0.000 . 4.600 1.875 1.688 2.298 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 26 LEU QB 1 27 ARG H 0.000 . 3.700 3.102 2.699 3.267 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 26 LEU HG 1 35 LEU MD2 0.000 . 6.300 2.697 2.015 3.817 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 26 LEU MD1 1 27 ARG H 0.000 . 6.500 4.710 4.321 4.899 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 26 LEU MD1 1 34 PHE HA 0.000 . 6.500 5.505 5.160 6.081 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 26 LEU MD1 1 35 LEU H 0.000 . 6.500 5.224 4.837 5.770 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 26 LEU MD1 1 35 LEU HG 0.000 . 6.500 4.363 3.675 5.413 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 26 LEU MD1 1 35 LEU MD1 0.000 . 7.500 3.544 2.140 5.246 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 26 LEU MD1 1 35 LEU MD2 0.000 . 6.200 2.905 2.082 4.397 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 26 LEU MD1 1 48 SER H 0.000 . 6.500 4.944 4.469 5.616 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 26 LEU MD1 1 48 SER QB 0.000 . 6.300 2.297 1.824 2.867 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 26 LEU MD1 1 49 VAL H 0.000 . 6.500 4.277 3.689 4.837 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 26 LEU MD1 1 49 VAL HA 0.000 . 6.500 5.022 4.592 5.330 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 26 LEU MD1 1 50 VAL QG 0.000 . 8.100 3.611 3.393 3.788 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 26 LEU MD1 1 55 VAL HA 0.000 . 6.500 4.542 4.041 4.993 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 26 LEU MD1 1 55 VAL QG 0.000 . 5.800 2.138 1.785 3.393 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 26 LEU MD1 1 56 LYS QG 0.000 . 6.500 6.324 5.809 6.596 0.096 3 0 "[ . 1 . 2 . 3]" 1
403 1 26 LEU MD1 1 106 VAL MG1 0.000 . 7.500 6.457 5.956 7.155 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 26 LEU MD2 1 27 ARG H 0.000 . 6.500 4.930 4.783 5.128 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 26 LEU MD2 1 29 LYS H 0.000 . 6.500 5.610 4.696 6.154 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 26 LEU MD2 1 29 LYS QB 0.000 . 7.500 3.940 2.722 5.636 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 26 LEU MD2 1 29 LYS QG 0.000 . 7.500 4.125 3.192 5.120 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 26 LEU MD2 1 29 LYS QE 0.000 . 6.800 5.300 2.088 6.620 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 26 LEU MD2 1 33 THR HA 0.000 . 6.500 6.166 5.829 6.467 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 26 LEU MD2 1 33 THR HB 0.000 . 6.500 4.691 3.977 4.973 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 26 LEU MD2 1 33 THR MG 0.000 . 5.400 4.226 3.695 4.799 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 26 LEU MD2 1 33 THR HG1 0.000 . 6.500 6.456 6.183 6.626 0.126 7 0 "[ . 1 . 2 . 3]" 1
413 1 26 LEU MD2 1 34 PHE HA 0.000 . 6.500 3.364 2.963 4.127 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 26 LEU MD2 1 35 LEU H 0.000 . 6.500 3.776 3.253 4.525 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 26 LEU MD2 1 35 LEU HG 0.000 . 6.300 3.706 2.166 4.461 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 26 LEU MD2 1 35 LEU MD1 0.000 . 7.500 3.770 1.848 4.509 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 26 LEU MD2 1 35 LEU MD2 0.000 . 5.800 2.337 1.870 3.541 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 26 LEU MD2 1 48 SER QB 0.000 . 6.500 2.508 1.908 2.937 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 26 LEU MD2 1 49 VAL H 0.000 . 6.500 3.450 2.563 4.116 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 26 LEU MD2 1 49 VAL HA 0.000 . 6.500 3.109 2.467 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 26 LEU MD2 1 50 VAL HB 0.000 . 6.500 3.999 3.710 4.147 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 26 LEU MD2 1 50 VAL QG 0.000 . 8.100 1.847 1.749 1.975 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 26 LEU MD2 1 55 VAL QG 0.000 . 5.900 2.393 2.066 3.447 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 26 LEU MD2 1 56 LYS QD 0.000 . 5.300 5.436 5.289 5.529 0.229 23 0 "[ . 1 . 2 . 3]" 1
425 1 26 LEU MD2 1 106 VAL HA 0.000 . 6.500 6.340 5.752 6.604 0.104 15 0 "[ . 1 . 2 . 3]" 1
426 1 26 LEU MD2 1 106 VAL MG1 0.000 . 6.700 5.538 5.032 5.951 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 27 ARG H 1 27 ARG QB 0.000 . 2.600 2.198 2.037 2.346 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 27 ARG H 1 27 ARG QG 0.000 . 3.300 3.130 2.660 3.498 0.198 18 0 "[ . 1 . 2 . 3]" 1
429 1 27 ARG H 1 35 LEU MD2 0.000 . 6.500 6.055 5.444 6.524 0.024 18 0 "[ . 1 . 2 . 3]" 1
430 1 27 ARG H 1 55 VAL QG 0.000 . 6.500 4.135 3.654 4.910 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 27 ARG HA 1 28 GLY H 0.000 . 3.000 2.432 2.172 3.495 0.495 4 0 "[ . 1 . 2 . 3]" 1
432 1 27 ARG HA 1 29 LYS H 0.000 . 3.300 3.433 3.249 3.609 0.309 8 0 "[ . 1 . 2 . 3]" 1
433 1 27 ARG HA 1 50 VAL QG 0.000 . 7.900 4.046 3.498 4.775 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 27 ARG QB 1 28 GLY H 0.000 . 4.400 3.372 2.795 3.745 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 27 ARG QG 1 28 GLY H 0.000 . 5.200 3.652 1.729 4.441 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 28 GLY H 1 29 LYS H 0.000 . 3.800 2.427 2.200 2.837 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 28 GLY QA 1 29 LYS H 0.000 . 3.400 2.916 2.856 2.945 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 29 LYS H 1 29 LYS QB 0.000 . 3.700 2.488 2.361 3.175 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 29 LYS H 1 29 LYS QG 0.000 . 4.400 3.030 1.988 4.192 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 29 LYS H 1 29 LYS QD 0.000 . 5.500 4.110 3.412 4.750 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 29 LYS H 1 29 LYS QE 0.000 . 6.500 4.986 3.800 5.976 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 29 LYS H 1 30 ARG H 0.000 . 4.300 4.489 4.389 4.581 0.281 25 0 "[ . 1 . 2 . 3]" 1
443 1 29 LYS H 1 33 THR MG 0.000 . 6.500 5.862 5.302 6.556 0.056 18 0 "[ . 1 . 2 . 3]" 1
444 1 29 LYS H 1 50 VAL QG 0.000 . 7.300 3.363 3.081 3.879 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 29 LYS HA 1 30 ARG H 0.000 . 2.900 2.208 2.146 2.323 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 29 LYS HA 1 33 THR MG 0.000 . 6.500 4.604 4.026 5.871 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 29 LYS QB 1 30 ARG H 0.000 . 4.300 3.129 2.571 3.768 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 29 LYS QB 1 33 THR H 0.000 . 6.100 4.611 4.069 5.693 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 29 LYS QB 1 33 THR HB 0.000 . 6.500 2.753 2.101 4.045 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 29 LYS QB 1 33 THR MG 0.000 . 6.500 3.014 2.275 4.049 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 29 LYS QB 1 33 THR HG1 0.000 . 6.500 3.453 2.554 5.218 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 29 LYS QB 1 50 VAL QG 0.000 . 8.900 2.334 2.009 3.809 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 29 LYS QG 1 33 THR H 0.000 . 6.500 5.428 3.571 6.601 0.101 12 0 "[ . 1 . 2 . 3]" 1
454 1 29 LYS QG 1 33 THR HB 0.000 . 6.500 3.373 1.932 4.636 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 29 LYS QG 1 50 VAL QG 0.000 . 8.900 3.094 2.011 3.836 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 29 LYS QD 1 33 THR H 0.000 . 6.500 5.518 3.972 6.419 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 29 LYS QD 1 33 THR MG 0.000 . 6.900 2.523 1.826 3.467 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 29 LYS QD 1 50 VAL QG 0.000 . 8.900 3.979 1.979 4.674 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 29 LYS QD 1 106 VAL MG2 0.000 . 7.500 3.511 2.020 4.299 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 29 LYS QE 1 33 THR H 0.000 . 6.500 5.994 4.164 6.614 0.114 22 0 "[ . 1 . 2 . 3]" 1
461 1 29 LYS QE 1 33 THR MG 0.000 . 7.500 2.429 1.810 3.602 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 29 LYS QE 1 35 LEU MD2 0.000 . 7.500 5.024 2.486 6.542 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 29 LYS QE 1 50 VAL QG 0.000 . 8.900 4.549 2.100 5.231 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 29 LYS QE 1 106 VAL MG1 0.000 . 7.500 5.095 3.723 6.429 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 29 LYS QE 1 106 VAL MG2 0.000 . 7.500 2.877 1.892 4.358 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 30 ARG H 1 30 ARG QB 0.000 . 3.100 2.399 2.242 2.555 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 30 ARG H 1 30 ARG QG 0.000 . 4.800 2.593 2.002 3.986 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 30 ARG H 1 30 ARG QD 0.000 . 5.500 3.905 2.603 4.717 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 30 ARG H 1 31 ASP H 0.000 . 4.900 4.653 4.602 4.681 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 30 ARG H 1 33 THR HG1 0.000 . 5.300 3.301 2.298 4.073 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 30 ARG H 1 50 VAL QG 0.000 . 7.900 4.383 3.975 4.737 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 30 ARG HA 1 31 ASP H 0.000 . 2.900 2.365 2.246 2.464 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 30 ARG QB 1 31 ASP H 0.000 . 3.900 2.736 2.362 3.552 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 30 ARG QB 1 33 THR HG1 0.000 . 5.500 3.411 2.634 4.987 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 30 ARG QB 1 104 TYR QE 0.000 . 7.500 6.242 5.138 7.141 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 30 ARG QG 1 31 ASP H 0.000 . 6.500 3.487 1.712 4.430 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 30 ARG QG 1 33 THR HG1 0.000 . 6.500 4.467 2.039 5.564 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 30 ARG QG 1 104 TYR QD 0.000 . 8.500 6.757 4.372 7.991 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 30 ARG QG 1 104 TYR QE 0.000 . 8.500 7.039 5.249 8.501 0.001 2 0 "[ . 1 . 2 . 3]" 1
480 1 30 ARG QD 1 104 TYR QD 0.000 . 7.500 6.432 4.112 7.426 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 30 ARG QD 1 104 TYR QE 0.000 . 7.500 6.461 4.569 7.498 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 30 ARG QD 1 33 THR HG1 0.000 . 5.500 5.039 3.583 5.610 0.110 20 0 "[ . 1 . 2 . 3]" 1
483 1 31 ASP H 1 31 ASP HA 0.000 . 3.100 2.831 2.759 2.873 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 31 ASP H 1 31 ASP QB 0.000 . 3.500 2.382 2.227 2.553 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 31 ASP H 1 32 GLY H 0.000 . 4.800 4.671 4.647 4.715 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 31 ASP H 1 50 VAL QG 0.000 . 7.900 3.545 2.833 4.021 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 31 ASP HA 1 32 GLY H 0.000 . 2.800 2.310 2.231 2.488 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 31 ASP HA 1 33 THR HB 0.000 . 4.800 4.869 4.703 5.023 0.223 22 0 "[ . 1 . 2 . 3]" 1
489 1 31 ASP HA 1 51 VAL HA 0.000 . 3.100 3.246 2.964 3.430 0.330 24 0 "[ . 1 . 2 . 3]" 1
490 1 31 ASP HA 1 51 VAL QG 0.000 . 4.900 4.386 4.158 4.580 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 31 ASP QB 1 32 GLY H 0.000 . 4.800 3.045 2.360 3.644 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 31 ASP QB 1 50 VAL HB 0.000 . 6.500 4.547 4.081 5.077 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 31 ASP QB 1 51 VAL HA 0.000 . 6.500 2.766 1.998 3.446 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 31 ASP QB 1 51 VAL QG 0.000 . 7.500 3.486 2.936 3.976 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 31 ASP QB 1 100 VAL MG1 0.000 . 7.500 4.357 2.774 5.793 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 31 ASP QB 1 100 VAL MG2 0.000 . 7.500 3.058 2.010 4.205 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 32 GLY H 1 33 THR H 0.000 . 3.400 2.743 2.466 3.046 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 32 GLY H 1 33 THR HG1 0.000 . 5.500 5.270 4.702 5.588 0.088 24 0 "[ . 1 . 2 . 3]" 1
499 1 32 GLY H 1 49 VAL MG2 0.000 . 6.500 3.817 2.661 5.933 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 32 GLY H 1 50 VAL H 0.000 . 3.900 3.620 3.342 3.899 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 32 GLY H 1 50 VAL HB 0.000 . 3.900 3.629 3.159 3.964 0.064 2 0 "[ . 1 . 2 . 3]" 1
502 1 32 GLY H 1 50 VAL QG 0.000 . 7.900 4.071 3.835 4.389 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 32 GLY H 1 51 VAL HA 0.000 . 3.700 3.766 3.530 3.912 0.212 3 0 "[ . 1 . 2 . 3]" 1
504 1 32 GLY H 1 51 VAL QG 0.000 . 4.600 4.361 3.843 4.756 0.156 12 0 "[ . 1 . 2 . 3]" 1
505 1 32 GLY H 1 100 VAL MG1 0.000 . 6.500 3.536 1.724 4.486 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 32 GLY H 1 100 VAL MG2 0.000 . 5.300 2.389 1.593 3.423 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 32 GLY H 1 103 ALA MB 0.000 . 6.500 6.325 4.885 6.623 0.123 15 0 "[ . 1 . 2 . 3]" 1
508 1 32 GLY QA 1 33 THR H 0.000 . 4.600 2.837 2.753 2.902 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 32 GLY QA 1 33 THR MG 0.000 . 6.500 5.251 5.176 5.303 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 32 GLY QA 1 50 VAL QG 0.000 . 7.900 5.136 4.866 5.295 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 32 GLY QA 1 100 VAL HB 0.000 . 5.500 4.609 4.222 5.163 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 32 GLY QA 1 100 VAL MG1 0.000 . 6.500 3.661 1.915 4.701 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 32 GLY QA 1 100 VAL MG2 0.000 . 5.200 2.597 1.917 3.977 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 32 GLY QA 1 103 ALA H 0.000 . 3.500 3.502 2.595 3.706 0.206 11 0 "[ . 1 . 2 . 3]" 1
515 1 32 GLY QA 1 103 ALA MB 0.000 . 5.100 3.792 2.267 4.125 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 32 GLY QA 1 104 TYR QD 0.000 . 7.500 3.084 2.154 5.143 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 33 THR H 1 33 THR HB 0.000 . 3.000 2.542 2.427 2.648 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 33 THR H 1 33 THR HG1 0.000 . 4.000 2.658 2.132 3.238 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 33 THR H 1 50 VAL HB 0.000 . 3.700 3.499 3.197 3.724 0.024 27 0 "[ . 1 . 2 . 3]" 1
520 1 33 THR H 1 50 VAL QG 0.000 . 7.100 3.982 3.692 4.227 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 33 THR H 1 100 VAL MG1 0.000 . 6.500 5.642 4.055 6.554 0.054 9 0 "[ . 1 . 2 . 3]" 1
522 1 33 THR H 1 104 TYR QB 0.000 . 5.500 3.663 3.290 4.866 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 33 THR H 1 104 TYR QD 0.000 . 7.500 4.351 3.765 5.051 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 33 THR HA 1 104 TYR HA 0.000 . 4.600 4.533 4.340 4.731 0.131 1 0 "[ . 1 . 2 . 3]" 1
525 1 33 THR HA 1 104 TYR QB 0.000 . 4.300 2.206 2.073 3.230 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 33 THR HA 1 104 TYR QD 0.000 . 7.500 3.681 2.144 4.443 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 33 THR HA 1 105 PRO HA 0.000 . 5.000 4.763 4.625 4.939 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 33 THR HB 1 50 VAL HB 0.000 . 5.500 3.564 2.834 4.156 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 33 THR HB 1 50 VAL QG 0.000 . 7.900 3.242 2.785 3.942 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 33 THR HB 1 106 VAL HA 0.000 . 5.500 4.907 4.475 5.215 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 33 THR HB 1 106 VAL HB 0.000 . 5.500 5.505 5.010 5.684 0.184 12 0 "[ . 1 . 2 . 3]" 1
532 1 33 THR HB 1 106 VAL MG2 0.000 . 6.500 4.922 4.508 5.383 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 33 THR MG 1 34 PHE H 0.000 . 4.500 2.639 2.341 2.907 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 33 THR MG 1 34 PHE HA 0.000 . 6.500 3.714 3.507 3.873 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 33 THR MG 1 34 PHE QB 0.000 . 6.500 4.515 4.366 4.657 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 33 THR MG 1 50 VAL H 0.000 . 6.500 5.054 4.127 5.493 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 33 THR MG 1 50 VAL HB 0.000 . 6.500 4.837 4.277 5.299 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 33 THR MG 1 50 VAL QG 0.000 . 8.000 3.728 3.275 4.356 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 33 THR MG 1 104 TYR H 0.000 . 6.500 5.113 4.252 5.753 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 33 THR MG 1 104 TYR QB 0.000 . 6.200 3.366 2.693 3.935 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 33 THR MG 1 104 TYR QD 0.000 . 8.500 4.346 1.983 5.638 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 33 THR MG 1 106 VAL H 0.000 . 6.100 3.651 3.390 3.986 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 33 THR MG 1 106 VAL HA 0.000 . 5.000 2.164 1.961 2.342 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 33 THR MG 1 106 VAL HB 0.000 . 5.300 2.954 2.672 3.118 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 33 THR MG 1 106 VAL MG1 0.000 . 7.500 4.030 3.896 4.168 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 33 THR MG 1 106 VAL MG2 0.000 . 4.900 2.763 2.321 3.295 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 33 THR HG1 1 50 VAL QG 0.000 . 7.900 4.486 4.018 5.096 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 34 PHE H 1 34 PHE HA 0.000 . 2.900 2.972 2.954 2.982 0.082 6 0 "[ . 1 . 2 . 3]" 1
549 1 34 PHE H 1 34 PHE QB 0.000 . 3.700 2.786 2.520 2.911 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 34 PHE H 1 34 PHE QD 0.000 . 5.500 2.519 1.984 3.341 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 34 PHE H 1 35 LEU H 0.000 . 5.000 4.461 4.427 4.484 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 34 PHE H 1 49 VAL MG1 0.000 . 6.400 5.834 4.173 6.648 0.248 15 0 "[ . 1 . 2 . 3]" 1
553 1 34 PHE H 1 104 TYR H 0.000 . 3.900 4.047 3.937 4.124 0.224 3 0 "[ . 1 . 2 . 3]" 1
554 1 34 PHE H 1 106 VAL H 0.000 . 3.900 3.988 3.818 4.115 0.215 24 0 "[ . 1 . 2 . 3]" 1
555 1 34 PHE H 1 106 VAL HA 0.000 . 4.600 4.425 3.982 4.697 0.097 6 0 "[ . 1 . 2 . 3]" 1
556 1 34 PHE HA 1 35 LEU H 0.000 . 3.200 2.426 2.249 2.549 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 34 PHE HA 1 35 LEU HG 0.000 . 5.500 4.292 2.970 5.147 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 34 PHE HA 1 35 LEU MD1 0.000 . 6.500 5.094 2.879 5.592 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 34 PHE HA 1 49 VAL HA 0.000 . 3.200 2.201 2.120 2.363 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 34 PHE HA 1 49 VAL HB 0.000 . 5.500 4.167 2.298 5.334 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 34 PHE HA 1 49 VAL MG1 0.000 . 5.700 4.357 3.124 4.910 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 34 PHE HA 1 49 VAL MG2 0.000 . 6.300 3.592 2.956 4.644 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 34 PHE HA 1 50 VAL H 0.000 . 3.800 3.577 3.236 3.837 0.037 17 0 "[ . 1 . 2 . 3]" 1
564 1 34 PHE HA 1 50 VAL QG 0.000 . 7.900 3.857 3.379 5.121 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 34 PHE HA 1 102 LEU QD 0.000 . 6.500 4.357 3.966 5.445 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 34 PHE QB 1 35 LEU H 0.000 . 3.500 2.704 2.458 3.411 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 34 PHE QB 1 49 VAL HA 0.000 . 5.500 2.188 2.048 3.679 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 34 PHE QB 1 49 VAL HB 0.000 . 5.000 2.554 1.937 3.973 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 34 PHE QB 1 49 VAL MG1 0.000 . 6.500 3.042 1.893 3.607 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 34 PHE QB 1 49 VAL MG2 0.000 . 5.500 2.379 1.877 3.565 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 34 PHE QB 1 50 VAL QG 0.000 . 7.900 4.635 4.377 5.714 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 34 PHE QB 1 102 LEU QD 0.000 . 6.000 2.254 1.975 3.355 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 34 PHE QD 1 35 LEU H 0.000 . 4.900 2.634 1.832 3.534 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 34 PHE QD 1 83 VAL QG 0.000 . 6.500 4.103 3.887 4.267 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 34 PHE QD 1 102 LEU QD 0.000 . 6.500 2.507 1.980 2.987 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 34 PHE QE 1 36 VAL MG2 0.000 . 4.600 1.985 1.870 2.287 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 34 PHE QE 1 47 CYS QB 0.000 . 5.500 2.159 2.013 2.290 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 34 PHE QE 1 82 LEU QD 0.000 . 6.500 4.665 3.694 5.248 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 34 PHE QE 1 83 VAL HA 0.000 . 5.500 4.529 4.092 4.881 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 34 PHE QE 1 83 VAL HB 0.000 . 5.500 5.140 4.668 5.369 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 34 PHE QE 1 83 VAL QG 0.000 . 4.700 2.476 2.200 2.616 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 34 PHE QE 1 87 GLN QB 0.000 . 5.500 5.407 5.065 5.595 0.095 11 0 "[ . 1 . 2 . 3]" 1
583 1 34 PHE QE 1 102 LEU QB 0.000 . 5.500 2.703 2.321 3.951 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 34 PHE QE 1 102 LEU QD 0.000 . 6.500 2.695 1.906 3.259 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 34 PHE QE 1 105 PRO HA 0.000 . 5.500 3.728 3.021 4.088 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 34 PHE QE 1 105 PRO QB 0.000 . 6.500 4.613 3.995 4.961 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 34 PHE HZ 1 36 VAL MG2 0.000 . 6.500 2.504 2.051 2.789 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 34 PHE HZ 1 47 CYS QB 0.000 . 5.500 4.238 4.112 4.382 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 34 PHE HZ 1 83 VAL QG 0.000 . 5.500 2.005 1.890 2.447 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 34 PHE HZ 1 102 LEU QD 0.000 . 6.500 3.148 2.493 3.775 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 34 PHE HZ 1 105 PRO HA 0.000 . 5.500 5.526 5.221 5.785 0.285 17 0 "[ . 1 . 2 . 3]" 1
592 1 34 PHE QE 1 58 CYS QB 0.000 . 6.500 5.660 4.709 6.215 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 34 PHE QE 1 60 ILE MD 0.000 . 6.500 4.870 3.661 5.579 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 34 PHE QE 1 86 TYR QD 0.000 . 7.500 5.849 3.865 6.494 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 34 PHE QD 1 58 CYS QB 0.000 . 6.500 4.953 4.334 5.731 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 34 PHE QD 1 102 LEU HA 0.000 . 5.500 3.048 2.444 3.973 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 34 PHE QD 1 102 LEU QB 0.000 . 5.500 2.903 2.371 3.372 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 35 LEU H 1 35 LEU QB 0.000 . 3.600 3.059 2.458 3.270 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 35 LEU H 1 35 LEU HG 0.000 . 4.000 2.528 1.832 3.932 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 35 LEU H 1 35 LEU MD1 0.000 . 5.500 3.747 1.677 4.151 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 35 LEU H 1 35 LEU MD2 0.000 . 5.800 2.677 1.872 4.058 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 35 LEU H 1 36 VAL MG2 0.000 . 5.600 4.622 4.156 4.911 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 35 LEU H 1 48 SER H 0.000 . 3.100 3.079 2.812 3.226 0.126 17 0 "[ . 1 . 2 . 3]" 1
604 1 35 LEU H 1 49 VAL HA 0.000 . 3.300 3.503 3.376 3.633 0.333 7 0 "[ . 1 . 2 . 3]" 1
605 1 35 LEU H 1 102 LEU QD 0.000 . 6.500 4.491 4.182 5.642 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 35 LEU H 1 106 VAL MG1 0.000 . 6.500 4.693 4.255 5.680 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 35 LEU H 1 106 VAL MG2 0.000 . 5.300 5.260 4.420 5.521 0.221 17 0 "[ . 1 . 2 . 3]" 1
608 1 35 LEU HA 1 36 VAL H 0.000 . 3.300 2.393 2.283 2.498 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 35 LEU HA 1 36 VAL HB 0.000 . 5.000 4.561 4.436 4.646 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 35 LEU HA 1 106 VAL MG1 0.000 . 6.500 2.733 2.120 3.669 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 35 LEU QB 1 36 VAL H 0.000 . 3.300 2.569 2.316 2.836 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 35 LEU QB 1 106 VAL MG1 0.000 . 6.500 2.186 1.806 4.208 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 35 LEU QB 1 106 VAL MG2 0.000 . 6.500 3.069 2.117 4.722 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 35 LEU HG 1 36 VAL H 0.000 . 5.500 4.145 3.745 5.071 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 35 LEU HG 1 48 SER QB 0.000 . 5.000 2.865 2.093 4.990 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 35 LEU MD1 1 36 VAL H 0.000 . 6.500 3.587 2.726 4.598 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 35 LEU MD1 1 36 VAL HA 0.000 . 6.500 4.306 3.157 5.669 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 35 LEU MD1 1 37 ARG HA 0.000 . 6.500 4.680 3.802 6.644 0.144 6 0 "[ . 1 . 2 . 3]" 1
619 1 35 LEU MD1 1 37 ARG QG 0.000 . 4.800 3.096 2.008 4.297 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 35 LEU MD1 1 37 ARG QD 0.000 . 6.300 3.156 2.074 4.612 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 35 LEU MD1 1 48 SER H 0.000 . 6.500 3.695 2.648 5.034 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 35 LEU MD1 1 48 SER HA 0.000 . 6.500 5.292 4.043 6.679 0.179 15 0 "[ . 1 . 2 . 3]" 1
623 1 35 LEU MD1 1 48 SER QB 0.000 . 6.000 3.025 1.886 4.781 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 35 LEU MD1 1 106 VAL HA 0.000 . 6.500 6.197 4.210 6.733 0.233 1 0 "[ . 1 . 2 . 3]" 1
625 1 35 LEU MD1 1 106 VAL MG1 0.000 . 7.500 3.307 1.896 4.210 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 35 LEU MD2 1 36 VAL H 0.000 . 6.500 4.701 3.788 4.987 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 35 LEU MD2 1 37 ARG QD 0.000 . 6.500 4.688 3.505 6.473 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 35 LEU MD2 1 48 SER H 0.000 . 6.500 4.003 3.299 5.460 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 35 LEU MD2 1 48 SER HA 0.000 . 6.500 4.944 4.228 6.623 0.123 27 0 "[ . 1 . 2 . 3]" 1
630 1 35 LEU MD2 1 48 SER QB 0.000 . 6.500 2.795 2.047 4.616 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 35 LEU MD2 1 106 VAL H 0.000 . 6.500 4.861 3.847 5.552 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 35 LEU MD2 1 106 VAL HA 0.000 . 6.500 4.782 3.667 5.383 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 35 LEU MD2 1 106 VAL HB 0.000 . 6.500 2.940 1.891 3.537 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 35 LEU MD2 1 106 VAL MG1 0.000 . 6.400 3.144 1.912 3.753 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 36 VAL H 1 36 VAL HA 0.000 . 3.100 2.980 2.941 2.993 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 36 VAL H 1 36 VAL HB 0.000 . 3.700 2.533 2.398 2.854 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 36 VAL H 1 36 VAL MG1 0.000 . 4.600 3.801 3.710 3.912 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 36 VAL H 1 36 VAL MG2 0.000 . 4.000 2.883 2.637 3.229 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 36 VAL H 1 106 VAL MG1 0.000 . 6.500 3.821 3.225 4.646 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 36 VAL HA 1 37 ARG H 0.000 . 3.000 2.210 2.164 2.298 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 36 VAL HA 1 47 CYS HA 0.000 . 3.200 2.136 2.055 2.259 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 36 VAL HA 1 47 CYS QB 0.000 . 5.500 3.151 2.013 3.842 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 36 VAL HA 1 48 SER H 0.000 . 3.300 3.356 3.052 3.514 0.214 6 0 "[ . 1 . 2 . 3]" 1
644 1 36 VAL HB 1 83 VAL QG 0.000 . 6.500 4.564 4.215 5.334 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 36 VAL MG1 1 37 ARG H 0.000 . 4.400 2.461 2.166 2.946 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 36 VAL MG1 1 37 ARG HA 0.000 . 6.500 3.504 3.254 3.681 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 36 VAL MG1 1 45 TYR QD 0.000 . 8.500 3.558 3.018 4.232 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 36 VAL MG1 1 45 TYR QE 0.000 . 8.500 4.903 4.184 5.650 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 36 VAL MG1 1 47 CYS HA 0.000 . 6.500 3.647 3.468 3.916 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 36 VAL MG1 1 47 CYS QB 0.000 . 6.500 3.900 2.746 4.554 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 36 VAL MG1 1 60 ILE QG 0.000 . 7.500 3.983 3.173 4.884 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 36 VAL MG1 1 60 ILE MD 0.000 . 5.900 4.227 2.976 5.058 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 36 VAL MG1 1 79 LEU QD 0.000 . 6.000 3.983 3.042 4.877 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 36 VAL MG1 1 83 VAL HA 0.000 . 6.500 6.620 6.442 6.743 0.243 3 0 "[ . 1 . 2 . 3]" 1
655 1 36 VAL MG1 1 83 VAL QG 0.000 . 7.200 3.998 3.510 4.965 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 36 VAL MG1 1 102 LEU QD 0.000 . 7.500 5.456 5.217 5.759 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 36 VAL MG2 1 37 ARG H 0.000 . 4.700 3.906 3.682 4.092 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 36 VAL MG2 1 45 TYR QD 0.000 . 8.500 5.775 5.272 6.545 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 36 VAL MG2 1 47 CYS HA 0.000 . 5.000 3.184 2.559 3.840 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 36 VAL MG2 1 47 CYS QB 0.000 . 6.200 2.538 1.944 3.095 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 36 VAL MG2 1 48 SER H 0.000 . 6.500 4.379 4.030 4.742 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 36 VAL MG2 1 60 ILE MD 0.000 . 4.600 4.114 3.166 4.708 0.108 8 0 "[ . 1 . 2 . 3]" 1
663 1 36 VAL MG2 1 79 LEU QD 0.000 . 7.500 4.671 3.359 5.508 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 36 VAL MG2 1 82 LEU QD 0.000 . 7.000 4.119 3.517 4.517 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 36 VAL MG2 1 83 VAL HB 0.000 . 5.400 4.982 3.635 5.374 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 36 VAL MG2 1 83 VAL QG 0.000 . 5.100 2.659 2.209 3.278 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 36 VAL MG2 1 105 PRO HA 0.000 . 6.500 5.922 5.409 6.229 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 37 ARG H 1 37 ARG QB 0.000 . 3.700 2.969 2.581 3.381 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 37 ARG H 1 37 ARG QG 0.000 . 4.200 2.709 1.904 4.223 0.023 8 0 "[ . 1 . 2 . 3]" 1
670 1 37 ARG H 1 37 ARG QD 0.000 . 5.500 4.252 3.312 5.145 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 37 ARG H 1 38 GLU H 0.000 . 5.100 4.393 4.051 4.475 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 37 ARG H 1 46 ALA H 0.000 . 3.100 3.211 2.853 3.406 0.306 17 0 "[ . 1 . 2 . 3]" 1
673 1 37 ARG H 1 46 ALA MB 0.000 . 6.500 3.965 3.412 4.332 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 37 ARG H 1 47 CYS HA 0.000 . 3.800 2.863 2.057 3.328 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 37 ARG H 1 60 ILE MD 0.000 . 6.500 5.745 4.428 6.666 0.166 13 0 "[ . 1 . 2 . 3]" 1
676 1 37 ARG HA 1 38 GLU H 0.000 . 3.000 2.681 2.432 3.058 0.058 4 0 "[ . 1 . 2 . 3]" 1
677 1 37 ARG HA 1 46 ALA MB 0.000 . 6.500 5.546 5.068 6.180 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 37 ARG QB 1 38 GLU H 0.000 . 4.700 2.234 1.623 3.422 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 37 ARG QG 1 38 GLU HA 0.000 . 5.500 4.501 3.448 5.817 0.317 15 0 "[ . 1 . 2 . 3]" 1
680 1 37 ARG QG 1 47 CYS HA 0.000 . 5.100 4.143 3.047 5.355 0.255 11 0 "[ . 1 . 2 . 3]" 1
681 1 37 ARG QD 1 46 ALA MB 0.000 . 6.500 4.334 2.266 6.481 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 38 GLU H 1 38 GLU QB 0.000 . 2.900 2.610 2.265 3.047 0.147 3 0 "[ . 1 . 2 . 3]" 1
683 1 38 GLU H 1 40 SER H 0.000 . 3.800 3.666 3.523 3.818 0.018 7 0 "[ . 1 . 2 . 3]" 1
684 1 38 GLU H 1 40 SER HA 0.000 . 4.200 4.619 4.468 4.740 0.540 23 3 "[ . 1 -* 2 + . 3]" 1
685 1 38 GLU H 1 40 SER QB 0.000 . 6.200 5.735 5.049 6.286 0.086 29 0 "[ . 1 . 2 . 3]" 1
686 1 38 GLU HA 1 38 GLU QB 0.000 . 2.600 2.287 2.171 2.377 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 38 GLU HA 1 39 SER H 0.000 . 3.400 2.519 2.452 2.642 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 38 GLU HA 1 39 SER QB 0.000 . 5.400 4.637 4.319 4.842 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 38 GLU HA 1 45 TYR HA 0.000 . 3.500 2.144 2.033 2.227 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 38 GLU HA 1 45 TYR QD 0.000 . 7.500 3.575 2.315 4.556 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 38 GLU HA 1 45 TYR QE 0.000 . 7.500 4.978 3.527 5.827 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 38 GLU HA 1 46 ALA MB 0.000 . 6.500 3.926 3.063 5.068 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 38 GLU QB 1 39 SER H 0.000 . 3.500 2.525 2.190 3.373 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 38 GLU QB 1 40 SER HA 0.000 . 3.600 3.370 2.990 3.759 0.159 11 0 "[ . 1 . 2 . 3]" 1
695 1 38 GLU QB 1 40 SER QB 0.000 . 6.500 4.744 4.324 5.259 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 38 GLU QB 1 43 GLY QA 0.000 . 5.500 4.760 3.588 5.658 0.158 11 0 "[ . 1 . 2 . 3]" 1
697 1 38 GLU QB 1 45 TYR QD 0.000 . 7.500 4.110 2.541 5.515 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 38 GLU QB 1 45 TYR QE 0.000 . 7.500 4.425 2.689 6.232 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 38 GLU QG 1 39 SER H 0.000 . 6.500 3.455 1.650 4.386 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 38 GLU QG 1 43 GLY QA 0.000 . 6.500 5.564 2.874 6.752 0.252 3 0 "[ . 1 . 2 . 3]" 1
701 1 38 GLU QG 1 45 TYR QD 0.000 . 8.500 4.377 2.338 5.883 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 38 GLU QG 1 45 TYR QE 0.000 . 8.500 4.710 2.631 6.154 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 39 SER H 1 39 SER QB 0.000 . 3.800 2.443 2.293 2.666 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 39 SER H 1 44 CYS QB 0.000 . 6.500 3.284 2.120 4.081 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 39 SER H 1 45 TYR HA 0.000 . 3.400 3.317 2.508 3.685 0.285 12 0 "[ . 1 . 2 . 3]" 1
706 1 39 SER QB 1 44 CYS QB 0.000 . 6.500 2.406 1.961 3.219 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 39 SER QB 1 46 ALA MB 0.000 . 6.500 3.990 2.821 5.368 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 39 SER QB 1 40 SER H 0.000 . 3.600 3.626 3.433 3.859 0.259 17 0 "[ . 1 . 2 . 3]" 1
709 1 39 SER QB 1 45 TYR HA 0.000 . 5.500 4.881 3.443 5.514 0.014 23 0 "[ . 1 . 2 . 3]" 1
710 1 40 SER H 1 40 SER HA 0.000 . 2.800 2.339 2.288 2.432 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 41 LYS HA 1 42 GLN H 0.000 . 3.800 2.863 2.181 3.610 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 42 GLN HA 1 43 GLY H 0.000 . 3.800 2.771 2.174 3.554 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 42 GLN HA 1 43 GLY QA 0.000 . 4.300 4.127 3.941 4.463 0.163 3 0 "[ . 1 . 2 . 3]" 1
714 1 42 GLN HA 1 44 CYS H 0.000 . 4.400 3.992 3.256 4.453 0.053 7 0 "[ . 1 . 2 . 3]" 1
715 1 42 GLN QB 1 43 GLY H 0.000 . 6.400 3.090 2.550 3.777 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 42 GLN QB 1 43 GLY QA 0.000 . 6.300 4.055 3.673 4.351 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 42 GLN QB 1 44 CYS H 0.000 . 6.500 3.768 2.370 5.771 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 42 GLN QG 1 43 GLY QA 0.000 . 6.500 4.421 3.058 5.490 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 43 GLY H 1 44 CYS H 0.000 . 3.500 2.740 2.195 3.447 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 43 GLY QA 1 44 CYS H 0.000 . 3.300 2.832 2.526 2.953 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 43 GLY QA 1 45 TYR QE 0.000 . 7.500 4.760 3.174 6.460 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 44 CYS H 1 44 CYS HA 0.000 . 3.000 2.959 2.919 2.995 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 44 CYS H 1 44 CYS QB 0.000 . 3.900 2.515 2.299 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 44 CYS HA 1 45 TYR H 0.000 . 2.800 2.393 2.202 2.708 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 44 CYS QB 1 45 TYR H 0.000 . 4.400 2.856 1.997 3.716 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 44 CYS QB 1 59 VAL QG 0.000 . 7.500 3.769 2.907 4.944 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 45 TYR H 1 45 TYR QB 0.000 . 3.000 2.514 2.328 2.642 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 45 TYR H 1 46 ALA MB 0.000 . 6.500 4.668 4.259 4.942 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 45 TYR H 1 59 VAL QG 0.000 . 6.500 4.279 3.876 4.694 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 45 TYR H 1 60 ILE HB 0.000 . 5.300 4.016 3.294 5.065 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 45 TYR HA 1 45 TYR QE 0.000 . 6.100 4.544 4.299 4.636 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 45 TYR HA 1 46 ALA H 0.000 . 3.900 2.355 2.288 2.469 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 45 TYR HA 1 46 ALA MB 0.000 . 6.500 3.880 3.809 3.964 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 45 TYR HA 1 60 ILE MD 0.000 . 6.500 5.886 4.354 6.571 0.071 24 0 "[ . 1 . 2 . 3]" 1
735 1 45 TYR QB 1 46 ALA H 0.000 . 4.200 2.713 2.451 2.992 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 45 TYR QB 1 60 ILE HB 0.000 . 4.200 2.341 1.991 3.291 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 45 TYR QB 1 79 LEU QD 0.000 . 6.500 3.771 2.753 4.995 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 45 TYR QB 1 59 VAL QG 0.000 . 6.500 4.799 4.546 5.140 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 45 TYR QB 1 60 ILE QG 0.000 . 6.200 2.556 2.038 3.186 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 45 TYR QB 1 60 ILE MD 0.000 . 6.000 3.902 2.299 4.633 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 45 TYR QB 1 62 LYS QB 0.000 . 5.500 4.343 3.347 5.410 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 45 TYR QD 1 60 ILE HB 0.000 . 7.500 4.425 4.112 5.112 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 45 TYR QD 1 60 ILE QG 0.000 . 8.500 3.848 3.165 4.469 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 45 TYR QD 1 60 ILE MD 0.000 . 8.500 5.494 3.778 6.271 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 45 TYR QD 1 79 LEU QD 0.000 . 8.500 3.879 2.690 5.055 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 45 TYR QE 1 46 ALA MB 0.000 . 8.500 7.110 6.979 7.179 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 45 TYR QE 1 67 TYR QE 0.000 . 9.500 7.011 4.558 9.117 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 45 TYR QE 1 79 LEU QD 0.000 . 8.500 4.050 3.173 5.032 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 46 ALA H 1 60 ILE H 0.000 . 4.000 4.018 3.884 4.133 0.133 7 0 "[ . 1 . 2 . 3]" 1
750 1 46 ALA H 1 60 ILE HB 0.000 . 5.500 3.833 3.058 5.602 0.102 21 0 "[ . 1 . 2 . 3]" 1
751 1 46 ALA H 1 60 ILE MD 0.000 . 5.700 4.794 3.280 5.638 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 46 ALA HA 1 47 CYS H 0.000 . 2.700 2.266 2.194 2.399 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 46 ALA HA 1 59 VAL HA 0.000 . 3.200 2.314 2.140 2.599 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 46 ALA HA 1 59 VAL HB 0.000 . 5.500 4.987 4.703 5.319 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 46 ALA HA 1 59 VAL QG 0.000 . 6.500 3.407 3.194 3.548 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 46 ALA HA 1 60 ILE H 0.000 . 3.000 1.826 1.681 2.009 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 46 ALA HA 1 60 ILE HB 0.000 . 5.500 3.049 2.459 4.761 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 46 ALA HA 1 60 ILE MD 0.000 . 6.500 3.531 2.073 3.932 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 46 ALA MB 1 57 HIS HA 0.000 . 6.500 4.656 4.268 5.089 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 46 ALA MB 1 58 CYS QB 0.000 . 7.500 4.534 4.258 4.858 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 46 ALA MB 1 59 VAL H 0.000 . 6.500 4.329 4.039 4.573 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 46 ALA MB 1 59 VAL HA 0.000 . 5.300 2.097 1.970 2.301 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 46 ALA MB 1 60 ILE MD 0.000 . 7.500 4.608 3.454 4.936 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 47 CYS H 1 47 CYS QB 0.000 . 2.800 2.706 2.539 2.987 0.187 11 0 "[ . 1 . 2 . 3]" 1
765 1 47 CYS H 1 48 SER H 0.000 . 4.300 4.396 4.319 4.500 0.200 8 0 "[ . 1 . 2 . 3]" 1
766 1 47 CYS H 1 59 VAL HA 0.000 . 3.300 3.371 3.203 3.467 0.167 2 0 "[ . 1 . 2 . 3]" 1
767 1 47 CYS H 1 59 VAL QG 0.000 . 6.500 4.510 4.311 4.719 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 47 CYS H 1 60 ILE MD 0.000 . 5.600 3.310 1.860 3.865 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 47 CYS HA 1 48 SER H 0.000 . 2.900 2.197 2.151 2.313 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 47 CYS HA 1 60 ILE MD 0.000 . 6.500 4.703 3.632 5.657 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 47 CYS QB 1 60 ILE MD 0.000 . 5.300 3.174 2.297 3.896 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 47 CYS QB 1 102 LEU QD 0.000 . 6.500 2.976 2.422 4.345 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 48 SER H 1 48 SER QB 0.000 . 3.900 2.506 2.350 3.022 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 48 SER HA 1 49 VAL H 0.000 . 2.900 2.223 2.196 2.269 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 48 SER HA 1 49 VAL MG1 0.000 . 6.200 4.023 3.034 5.473 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 48 SER HA 1 55 VAL QG 0.000 . 6.500 5.075 4.540 6.514 0.014 12 0 "[ . 1 . 2 . 3]" 1
777 1 48 SER HA 1 58 CYS H 0.000 . 4.100 2.476 2.050 2.922 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 48 SER QB 1 49 VAL H 0.000 . 4.300 3.321 2.858 3.791 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 48 SER QB 1 55 VAL QG 0.000 . 6.100 4.030 3.015 5.503 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 49 VAL H 1 49 VAL HB 0.000 . 3.900 3.183 2.641 3.848 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 49 VAL H 1 49 VAL MG1 0.000 . 3.700 2.523 1.802 3.910 0.210 5 0 "[ . 1 . 2 . 3]" 1
782 1 49 VAL H 1 50 VAL QG 0.000 . 7.900 4.590 4.242 4.836 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 49 VAL H 1 57 HIS HA 0.000 . 3.800 3.450 2.984 3.875 0.075 24 0 "[ . 1 . 2 . 3]" 1
784 1 49 VAL HA 1 50 VAL H 0.000 . 3.600 2.366 2.240 2.467 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 49 VAL HA 1 50 VAL QG 0.000 . 7.900 3.463 3.209 3.776 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 49 VAL HA 1 51 VAL QG 0.000 . 6.500 5.772 5.022 6.476 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 49 VAL HA 1 55 VAL QG 0.000 . 6.500 5.088 4.560 6.181 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 49 VAL HA 1 100 VAL MG2 0.000 . 6.500 5.507 4.578 6.600 0.100 7 0 "[ . 1 . 2 . 3]" 1
789 1 49 VAL HB 1 50 VAL H 0.000 . 3.500 3.662 3.299 3.833 0.333 24 0 "[ . 1 . 2 . 3]" 1
790 1 49 VAL HB 1 102 LEU QD 0.000 . 6.400 3.034 2.070 6.282 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 49 VAL MG1 1 50 VAL H 0.000 . 6.500 3.166 1.659 4.331 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 49 VAL MG1 1 50 VAL HA 0.000 . 6.500 4.119 3.486 5.376 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 49 VAL MG1 1 51 VAL H 0.000 . 6.500 4.784 4.107 6.449 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 49 VAL MG1 1 51 VAL HB 0.000 . 5.800 4.507 2.849 5.786 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 49 VAL MG1 1 51 VAL QG 0.000 . 5.300 3.459 2.190 5.296 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 49 VAL MG1 1 56 LYS H 0.000 . 5.200 3.875 3.090 5.048 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 49 VAL MG1 1 56 LYS HA 0.000 . 6.500 5.355 4.432 6.548 0.048 1 0 "[ . 1 . 2 . 3]" 1
798 1 49 VAL MG1 1 56 LYS QB 0.000 . 5.200 2.998 1.904 4.160 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 49 VAL MG1 1 56 LYS QG 0.000 . 6.500 4.460 2.555 5.682 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 49 VAL MG1 1 56 LYS QE 0.000 . 6.500 4.922 2.744 6.183 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 49 VAL MG1 1 91 LEU MD2 0.000 . 6.000 3.511 1.915 4.944 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 49 VAL MG1 1 100 VAL MG2 0.000 . 6.700 3.692 2.047 5.621 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 49 VAL MG1 1 102 LEU QD 0.000 . 6.600 2.874 1.883 4.156 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 49 VAL MG2 1 50 VAL H 0.000 . 5.200 2.486 1.634 4.172 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 49 VAL MG2 1 50 VAL HB 0.000 . 6.200 4.430 3.526 6.247 0.047 13 0 "[ . 1 . 2 . 3]" 1
806 1 49 VAL MG2 1 56 LYS H 0.000 . 5.800 4.657 3.437 5.469 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 49 VAL MG2 1 91 LEU HG 0.000 . 6.500 5.233 3.858 6.602 0.102 3 0 "[ . 1 . 2 . 3]" 1
808 1 49 VAL MG2 1 91 LEU MD2 0.000 . 7.500 3.935 2.189 5.912 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 49 VAL MG2 1 101 THR H 0.000 . 6.500 5.016 3.959 6.492 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 49 VAL MG2 1 102 LEU H 0.000 . 6.500 5.116 4.620 5.967 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 49 VAL MG2 1 102 LEU QD 0.000 . 6.000 2.552 1.889 4.531 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 50 VAL H 1 50 VAL HA 0.000 . 3.000 2.987 2.959 2.997 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 50 VAL H 1 50 VAL HB 0.000 . 4.000 2.573 2.422 2.716 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 50 VAL H 1 51 VAL QG 0.000 . 6.200 4.678 4.003 5.400 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 50 VAL HA 1 50 VAL HB 0.000 . 2.900 3.025 3.011 3.032 0.132 7 0 "[ . 1 . 2 . 3]" 1
816 1 50 VAL HA 1 51 VAL H 0.000 . 2.700 2.256 2.206 2.315 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 50 VAL HA 1 51 VAL HB 0.000 . 4.500 4.407 4.140 4.551 0.051 22 0 "[ . 1 . 2 . 3]" 1
818 1 50 VAL HA 1 51 VAL QG 0.000 . 4.900 3.899 3.534 4.420 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 50 VAL HA 1 55 VAL HA 0.000 . 3.200 2.334 2.163 2.675 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 50 VAL HA 1 55 VAL QG 0.000 . 6.500 3.027 2.437 3.725 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 50 VAL HA 1 56 LYS H 0.000 . 3.000 3.030 2.770 3.172 0.172 15 0 "[ . 1 . 2 . 3]" 1
822 1 50 VAL HB 1 51 VAL H 0.000 . 4.100 4.111 3.928 4.245 0.145 5 0 "[ . 1 . 2 . 3]" 1
823 1 50 VAL HB 1 55 VAL HA 0.000 . 5.500 5.134 4.878 5.539 0.039 13 0 "[ . 1 . 2 . 3]" 1
824 1 50 VAL QG 1 51 VAL H 0.000 . 7.900 2.317 1.912 2.806 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 50 VAL QG 1 55 VAL HB 0.000 . 7.900 4.062 2.814 5.166 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 51 VAL H 1 51 VAL HB 0.000 . 3.300 2.743 2.402 3.411 0.111 3 0 "[ . 1 . 2 . 3]" 1
827 1 51 VAL H 1 54 GLU H 0.000 . 3.200 3.278 3.052 3.441 0.241 13 0 "[ . 1 . 2 . 3]" 1
828 1 51 VAL H 1 55 VAL HA 0.000 . 3.300 3.042 2.777 3.410 0.110 3 0 "[ . 1 . 2 . 3]" 1
829 1 51 VAL H 1 55 VAL QG 0.000 . 6.500 3.944 3.167 4.386 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 51 VAL H 1 56 LYS QG 0.000 . 5.500 4.766 3.055 5.542 0.042 23 0 "[ . 1 . 2 . 3]" 1
831 1 51 VAL H 1 100 VAL MG1 0.000 . 6.500 4.986 4.119 5.451 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 51 VAL H 1 100 VAL MG2 0.000 . 6.500 4.910 4.192 5.699 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 51 VAL HA 1 52 ASP H 0.000 . 2.700 2.320 2.203 2.497 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 51 VAL HA 1 52 ASP QB 0.000 . 4.600 4.359 4.185 4.635 0.035 23 0 "[ . 1 . 2 . 3]" 1
835 1 51 VAL HA 1 53 GLY H 0.000 . 4.300 3.887 3.134 4.474 0.174 7 0 "[ . 1 . 2 . 3]" 1
836 1 51 VAL HA 1 54 GLU H 0.000 . 4.800 4.614 4.189 4.834 0.034 12 0 "[ . 1 . 2 . 3]" 1
837 1 51 VAL HA 1 100 VAL MG1 0.000 . 6.500 3.511 2.498 4.123 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 51 VAL HA 1 100 VAL MG2 0.000 . 6.500 2.894 2.092 3.997 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 51 VAL HB 1 52 ASP H 0.000 . 4.200 3.964 3.742 4.143 . 0 0 "[ . 1 . 2 . 3]" 1
840 1 51 VAL HB 1 56 LYS QG 0.000 . 5.200 4.248 2.196 5.747 0.547 17 1 "[ . 1 . + 2 . 3]" 1
841 1 51 VAL HB 1 56 LYS QE 0.000 . 5.500 2.887 1.975 5.559 0.059 17 0 "[ . 1 . 2 . 3]" 1
842 1 51 VAL HB 1 98 LEU QD 0.000 . 6.500 3.759 2.319 4.921 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 51 VAL HB 1 100 VAL HB 0.000 . 5.200 4.350 2.773 5.244 0.044 21 0 "[ . 1 . 2 . 3]" 1
844 1 51 VAL HB 1 100 VAL MG1 0.000 . 5.300 3.824 2.094 5.324 0.024 21 0 "[ . 1 . 2 . 3]" 1
845 1 51 VAL HB 1 100 VAL MG2 0.000 . 5.900 4.231 2.263 5.453 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 51 VAL QG 1 52 ASP H 0.000 . 4.300 1.856 1.668 2.194 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 51 VAL QG 1 54 GLU H 0.000 . 4.700 2.198 1.509 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 51 VAL QG 1 56 LYS HA 0.000 . 6.500 5.341 4.616 6.047 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 51 VAL QG 1 56 LYS QB 0.000 . 5.200 3.688 2.570 4.543 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 51 VAL QG 1 56 LYS QG 0.000 . 6.400 3.300 1.791 3.844 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 51 VAL QG 1 56 LYS QD 0.000 . 5.900 2.334 1.666 3.508 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 51 VAL QG 1 97 SER QB 0.000 . 7.500 4.064 3.036 4.728 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 51 VAL QG 1 98 LEU HA 0.000 . 4.900 2.385 2.070 2.827 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 51 VAL QG 1 98 LEU QD 0.000 . 5.900 2.473 1.955 3.325 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 51 VAL QG 1 99 ASN HA 0.000 . 4.900 4.472 3.831 4.905 0.005 27 0 "[ . 1 . 2 . 3]" 1
856 1 51 VAL QG 1 100 VAL HB 0.000 . 5.200 2.341 1.970 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 51 VAL QG 1 100 VAL MG1 0.000 . 4.900 2.350 1.776 3.703 . 0 0 "[ . 1 . 2 . 3]" 1
858 1 51 VAL QG 1 100 VAL MG2 0.000 . 5.100 2.665 1.763 3.346 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 51 VAL QG 1 52 ASP HA 0.000 . 5.800 3.730 3.219 3.935 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 51 VAL QG 1 52 ASP QB 0.000 . 5.600 2.941 2.258 3.428 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 51 VAL QG 1 53 GLY QA 0.000 . 5.900 2.965 2.404 4.819 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 51 VAL QG 1 54 GLU HA 0.000 . 5.200 4.468 3.770 5.460 0.260 5 0 "[ . 1 . 2 . 3]" 1
863 1 51 VAL QG 1 54 GLU QG 0.000 . 4.500 4.205 2.954 4.707 0.207 24 0 "[ . 1 . 2 . 3]" 1
864 1 51 VAL QG 1 56 LYS H 0.000 . 6.500 4.258 3.531 5.032 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 51 VAL QG 1 56 LYS QE 0.000 . 5.900 2.217 1.866 2.952 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 51 VAL QG 1 98 LEU H 0.000 . 6.500 4.548 4.020 4.904 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 51 VAL QG 1 99 ASN QB 0.000 . 6.500 3.687 2.952 4.520 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 52 ASP H 1 52 ASP QB 0.000 . 3.600 2.368 2.231 2.871 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 52 ASP H 1 53 GLY H 0.000 . 3.600 3.008 2.673 3.665 0.065 7 0 "[ . 1 . 2 . 3]" 1
870 1 52 ASP H 1 54 GLU H 0.000 . 4.500 4.615 4.257 4.847 0.347 2 0 "[ . 1 . 2 . 3]" 1
871 1 52 ASP HA 1 53 GLY H 0.000 . 3.000 3.127 2.553 3.386 0.386 23 0 "[ . 1 . 2 . 3]" 1
872 1 52 ASP QB 1 53 GLY H 0.000 . 4.300 3.468 2.930 4.062 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 52 ASP QB 1 99 ASN H 0.000 . 5.500 5.498 3.886 5.720 0.220 1 0 "[ . 1 . 2 . 3]" 1
874 1 53 GLY H 1 53 GLY QA 0.000 . 2.800 2.386 2.262 2.531 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 53 GLY H 1 54 GLU H 0.000 . 3.300 2.321 1.814 2.676 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 53 GLY QA 1 54 GLU H 0.000 . 3.200 2.733 2.552 2.957 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 53 GLY QA 1 97 SER QB 0.000 . 5.900 5.349 3.696 6.264 0.364 17 0 "[ . 1 . 2 . 3]" 1
878 1 54 GLU H 1 54 GLU HA 0.000 . 3.100 2.937 2.896 2.988 . 0 0 "[ . 1 . 2 . 3]" 1
879 1 54 GLU H 1 54 GLU QB 0.000 . 3.600 2.917 2.472 3.346 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 54 GLU H 1 54 GLU QG 0.000 . 3.900 3.412 2.102 4.120 0.220 6 0 "[ . 1 . 2 . 3]" 1
881 1 54 GLU H 1 55 VAL H 0.000 . 4.800 4.416 4.344 4.475 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 54 GLU HA 1 55 VAL H 0.000 . 3.000 2.487 2.183 2.759 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 54 GLU HA 1 55 VAL QG 0.000 . 5.400 3.628 3.191 4.116 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 54 GLU QB 1 55 VAL H 0.000 . 4.100 2.498 1.738 3.582 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 54 GLU QB 1 56 LYS QE 0.000 . 4.200 3.047 1.941 4.325 0.125 6 0 "[ . 1 . 2 . 3]" 1
886 1 54 GLU QG 1 55 VAL H 0.000 . 3.900 3.230 1.686 4.052 0.152 18 0 "[ . 1 . 2 . 3]" 1
887 1 55 VAL H 1 55 VAL HB 0.000 . 3.200 2.685 2.315 3.582 0.382 29 0 "[ . 1 . 2 . 3]" 1
888 1 55 VAL H 1 55 VAL QG 0.000 . 3.700 2.294 1.599 2.785 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 55 VAL H 1 56 LYS H 0.000 . 4.800 4.554 4.409 4.665 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 55 VAL HA 1 56 LYS H 0.000 . 2.800 2.250 2.185 2.336 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 55 VAL HA 1 56 LYS QD 0.000 . 5.500 3.285 2.679 4.153 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 55 VAL HA 1 98 LEU QD 0.000 . 6.500 6.175 5.568 6.574 0.074 27 0 "[ . 1 . 2 . 3]" 1
893 1 55 VAL HB 1 56 LYS H 0.000 . 4.500 4.067 3.014 4.408 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 55 VAL QG 1 56 LYS H 0.000 . 4.600 2.683 2.166 3.679 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 55 VAL QG 1 56 LYS HA 0.000 . 6.500 3.581 3.193 3.904 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 55 VAL QG 1 57 HIS HD2 0.000 . 6.500 4.761 3.011 6.682 0.182 13 0 "[ . 1 . 2 . 3]" 1
897 1 56 LYS H 1 56 LYS QB 0.000 . 3.600 2.578 2.341 2.867 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 56 LYS H 1 56 LYS QG 0.000 . 3.900 3.267 2.506 4.030 0.130 5 0 "[ . 1 . 2 . 3]" 1
899 1 56 LYS H 1 56 LYS QD 0.000 . 4.000 2.609 1.748 3.506 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 56 LYS H 1 56 LYS QE 0.000 . 5.500 4.396 2.680 5.131 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 56 LYS H 1 57 HIS H 0.000 . 4.700 4.512 4.464 4.571 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 56 LYS H 1 98 LEU QD 0.000 . 6.500 5.209 4.285 5.949 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 56 LYS HA 1 56 LYS QD 0.000 . 3.700 3.156 1.922 3.828 0.128 21 0 "[ . 1 . 2 . 3]" 1
904 1 56 LYS HA 1 56 LYS QE 0.000 . 5.500 4.358 3.749 4.975 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 56 LYS HA 1 57 HIS H 0.000 . 2.800 2.328 2.192 2.560 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 56 LYS HA 1 98 LEU QD 0.000 . 6.500 4.907 4.039 5.760 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 56 LYS QB 1 56 LYS QD 0.000 . 2.200 2.183 2.076 2.360 0.160 29 0 "[ . 1 . 2 . 3]" 1
908 1 56 LYS QB 1 56 LYS QE 0.000 . 3.800 3.479 2.361 3.801 0.001 1 0 "[ . 1 . 2 . 3]" 1
909 1 56 LYS QB 1 57 HIS H 0.000 . 2.900 2.642 2.228 2.971 0.071 13 0 "[ . 1 . 2 . 3]" 1
910 1 56 LYS QB 1 100 VAL MG1 0.000 . 6.300 5.070 3.862 6.277 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 56 LYS QB 1 100 VAL MG2 0.000 . 6.500 6.081 5.085 6.587 0.087 17 0 "[ . 1 . 2 . 3]" 1
912 1 56 LYS QG 1 57 HIS H 0.000 . 4.800 3.932 3.133 4.613 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 56 LYS QG 1 97 SER QB 0.000 . 6.500 6.287 5.331 6.567 0.067 20 0 "[ . 1 . 2 . 3]" 1
914 1 56 LYS QG 1 98 LEU QD 0.000 . 6.500 2.510 1.876 3.115 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 56 LYS QD 1 57 HIS H 0.000 . 5.500 4.698 3.421 5.204 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 56 LYS QD 1 97 SER QB 0.000 . 6.500 6.216 4.943 6.567 0.067 8 0 "[ . 1 . 2 . 3]" 1
917 1 56 LYS QD 1 100 VAL MG2 0.000 . 6.500 5.519 4.517 6.615 0.115 11 0 "[ . 1 . 2 . 3]" 1
918 1 56 LYS QD 1 58 CYS QB 0.000 . 6.500 6.492 5.770 6.760 0.260 18 0 "[ . 1 . 2 . 3]" 1
919 1 56 LYS QD 1 98 LEU QD 0.000 . 4.700 2.641 2.060 3.498 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 56 LYS QD 1 100 VAL MG1 0.000 . 6.500 4.702 3.521 6.599 0.099 29 0 "[ . 1 . 2 . 3]" 1
921 1 56 LYS QE 1 97 SER QB 0.000 . 6.500 4.951 3.573 5.899 . 0 0 "[ . 1 . 2 . 3]" 1
922 1 56 LYS QE 1 98 LEU QD 0.000 . 5.900 2.543 1.768 4.214 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 57 HIS H 1 57 HIS QB 0.000 . 3.200 2.512 2.328 2.651 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 57 HIS H 1 57 HIS HD2 0.000 . 5.000 4.606 3.516 5.204 0.204 24 0 "[ . 1 . 2 . 3]" 1
925 1 57 HIS H 1 98 LEU QD 0.000 . 6.500 5.320 4.420 6.595 0.095 6 0 "[ . 1 . 2 . 3]" 1
926 1 57 HIS HA 1 58 CYS H 0.000 . 3.500 2.359 2.191 2.554 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 57 HIS QB 1 58 CYS H 0.000 . 4.800 3.773 3.219 4.037 . 0 0 "[ . 1 . 2 . 3]" 1
928 1 58 CYS HA 1 59 VAL H 0.000 . 2.800 2.222 2.156 2.288 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 58 CYS HA 1 59 VAL HB 0.000 . 4.200 4.297 4.213 4.387 0.187 24 0 "[ . 1 . 2 . 3]" 1
930 1 58 CYS HA 1 59 VAL QG 0.000 . 5.900 3.910 3.774 4.049 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 58 CYS HA 1 86 TYR QE 0.000 . 7.500 6.984 5.684 7.755 0.255 11 0 "[ . 1 . 2 . 3]" 1
932 1 58 CYS QB 1 59 VAL H 0.000 . 4.700 3.285 2.819 3.818 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 58 CYS QB 1 59 VAL HB 0.000 . 6.500 5.368 4.946 5.728 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 58 CYS QB 1 59 VAL QG 0.000 . 7.500 4.483 4.025 4.839 . 0 0 "[ . 1 . 2 . 3]" 1
935 1 58 CYS QB 1 60 ILE MD 0.000 . 7.500 3.855 2.904 4.803 . 0 0 "[ . 1 . 2 . 3]" 1
936 1 58 CYS QB 1 86 TYR QE 0.000 . 8.500 4.765 3.967 5.865 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 58 CYS QB 1 91 LEU MD1 0.000 . 7.500 4.598 3.350 5.746 . 0 0 "[ . 1 . 2 . 3]" 1
938 1 58 CYS QB 1 91 LEU MD2 0.000 . 7.500 3.795 3.015 6.011 . 0 0 "[ . 1 . 2 . 3]" 1
939 1 59 VAL H 1 59 VAL HB 0.000 . 3.000 2.515 2.245 2.854 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 59 VAL H 1 59 VAL QG 0.000 . 4.200 2.410 1.991 2.954 . 0 0 "[ . 1 . 2 . 3]" 1
941 1 59 VAL H 1 60 ILE H 0.000 . 5.100 4.519 4.422 4.609 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 59 VAL HA 1 60 ILE H 0.000 . 3.500 2.193 2.152 2.250 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 59 VAL HA 1 60 ILE MD 0.000 . 6.500 4.500 3.064 5.159 . 0 0 "[ . 1 . 2 . 3]" 1
944 1 59 VAL HB 1 60 ILE H 0.000 . 4.700 4.296 4.155 4.413 . 0 0 "[ . 1 . 2 . 3]" 1
945 1 59 VAL QG 1 60 ILE H 0.000 . 5.100 2.400 2.020 2.781 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 59 VAL QG 1 60 ILE HB 0.000 . 6.500 4.334 4.075 4.955 . 0 0 "[ . 1 . 2 . 3]" 1
947 1 59 VAL QG 1 61 ASN HA 0.000 . 6.000 4.055 3.705 4.465 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 59 VAL QG 1 61 ASN QB 0.000 . 6.500 3.854 3.070 4.518 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 59 VAL QG 1 61 ASN QD 0.000 . 6.500 2.804 1.739 5.199 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 59 VAL QG 1 69 PHE HA 0.000 . 6.500 6.410 4.452 6.701 0.201 5 0 "[ . 1 . 2 . 3]" 1
951 1 60 ILE H 1 60 ILE HA 0.000 . 2.900 2.984 2.975 2.994 0.094 7 0 "[ . 1 . 2 . 3]" 1
952 1 60 ILE H 1 60 ILE HB 0.000 . 3.500 2.633 2.494 3.582 0.082 21 0 "[ . 1 . 2 . 3]" 1
953 1 60 ILE HA 1 61 ASN H 0.000 . 3.100 2.262 2.201 2.329 . 0 0 "[ . 1 . 2 . 3]" 1
954 1 60 ILE HA 1 61 ASN QB 0.000 . 5.500 4.357 3.993 4.490 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 60 ILE HA 1 69 PHE QD 0.000 . 7.500 5.268 3.900 7.160 . 0 0 "[ . 1 . 2 . 3]" 1
956 1 60 ILE QG 1 61 ASN H 0.000 . 4.900 2.551 2.014 3.481 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 60 ILE QG 1 62 LYS H 0.000 . 6.500 4.342 3.750 5.459 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 60 ILE QG 1 67 TYR HA 0.000 . 6.300 3.188 2.208 4.764 . 0 0 "[ . 1 . 2 . 3]" 1
959 1 60 ILE QG 1 67 TYR QB 0.000 . 6.100 3.256 1.896 4.802 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 60 ILE QG 1 67 TYR QD 0.000 . 6.800 3.567 2.524 5.488 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 60 ILE QG 1 67 TYR QE 0.000 . 8.500 4.950 2.440 7.186 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 60 ILE QG 1 68 GLY H 0.000 . 5.600 3.881 2.138 5.606 0.006 2 0 "[ . 1 . 2 . 3]" 1
963 1 60 ILE QG 1 79 LEU HA 0.000 . 6.500 5.114 4.349 6.119 . 0 0 "[ . 1 . 2 . 3]" 1
964 1 60 ILE QG 1 79 LEU QD 0.000 . 6.200 2.941 2.126 3.904 . 0 0 "[ . 1 . 2 . 3]" 1
965 1 60 ILE QG 1 82 LEU QD 0.000 . 5.900 2.546 1.913 3.435 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 60 ILE MD 1 67 TYR HA 0.000 . 6.500 5.412 4.111 6.376 . 0 0 "[ . 1 . 2 . 3]" 1
967 1 60 ILE MD 1 67 TYR QB 0.000 . 7.500 4.777 2.524 6.129 . 0 0 "[ . 1 . 2 . 3]" 1
968 1 60 ILE MD 1 67 TYR QE 0.000 . 8.500 6.543 2.508 8.413 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 60 ILE MD 1 69 PHE QD 0.000 . 8.500 4.649 2.712 6.448 . 0 0 "[ . 1 . 2 . 3]" 1
970 1 60 ILE MD 1 69 PHE HZ 0.000 . 6.500 5.824 4.648 6.547 0.047 6 0 "[ . 1 . 2 . 3]" 1
971 1 60 ILE MD 1 79 LEU QD 0.000 . 5.900 3.992 2.501 5.211 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 60 ILE MD 1 82 LEU QD 0.000 . 4.400 2.322 1.856 3.072 . 0 0 "[ . 1 . 2 . 3]" 1
973 1 60 ILE MD 1 83 VAL QG 0.000 . 7.500 4.596 3.310 5.861 . 0 0 "[ . 1 . 2 . 3]" 1
974 1 61 ASN H 1 61 ASN QB 0.000 . 3.500 2.526 2.375 2.981 . 0 0 "[ . 1 . 2 . 3]" 1
975 1 61 ASN H 1 68 GLY H 0.000 . 3.700 3.659 3.082 4.017 0.317 2 0 "[ . 1 . 2 . 3]" 1
976 1 61 ASN QB 1 62 LYS H 0.000 . 4.800 3.241 2.312 3.921 . 0 0 "[ . 1 . 2 . 3]" 1
977 1 61 ASN QB 1 63 THR MG 0.000 . 6.500 4.325 2.077 5.695 . 0 0 "[ . 1 . 2 . 3]" 1
978 1 62 LYS H 1 62 LYS HA 0.000 . 3.000 2.964 2.856 2.993 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 62 LYS H 1 62 LYS QB 0.000 . 2.600 2.480 2.279 2.872 0.272 2 0 "[ . 1 . 2 . 3]" 1
980 1 62 LYS H 1 62 LYS QE 0.000 . 6.500 5.308 4.209 6.264 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 62 LYS HA 1 67 TYR HA 0.000 . 3.200 2.733 2.104 3.841 0.641 2 3 "[ + . 1 - . 2 . *]" 1
982 1 62 LYS QB 1 67 TYR QD 0.000 . 7.500 4.286 3.153 5.789 . 0 0 "[ . 1 . 2 . 3]" 1
983 1 62 LYS QB 1 67 TYR QE 0.000 . 7.500 4.588 3.166 7.493 . 0 0 "[ . 1 . 2 . 3]" 1
984 1 63 THR H 1 63 THR HA 0.000 . 3.100 2.960 2.911 2.992 . 0 0 "[ . 1 . 2 . 3]" 1
985 1 63 THR H 1 63 THR HB 0.000 . 4.000 3.145 2.477 3.938 . 0 0 "[ . 1 . 2 . 3]" 1
986 1 63 THR H 1 66 GLY H 0.000 . 3.600 3.017 2.111 3.655 0.055 7 0 "[ . 1 . 2 . 3]" 1
987 1 63 THR H 1 67 TYR HA 0.000 . 4.600 3.786 2.785 4.579 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 63 THR HB 1 64 ALA MB 0.000 . 6.500 4.390 3.441 5.284 . 0 0 "[ . 1 . 2 . 3]" 1
989 1 63 THR HB 1 65 THR H 0.000 . 3.700 3.332 2.489 3.985 0.285 15 0 "[ . 1 . 2 . 3]" 1
990 1 63 THR MG 1 66 GLY H 0.000 . 6.500 3.559 2.370 5.669 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 63 THR MG 1 67 TYR QD 0.000 . 8.500 6.167 4.413 8.290 . 0 0 "[ . 1 . 2 . 3]" 1
992 1 64 ALA HA 1 65 THR H 0.000 . 4.700 3.521 3.360 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
993 1 64 ALA MB 1 65 THR H 0.000 . 5.000 2.639 1.660 3.161 . 0 0 "[ . 1 . 2 . 3]" 1
994 1 64 ALA MB 1 65 THR HA 0.000 . 6.500 4.106 3.876 4.367 . 0 0 "[ . 1 . 2 . 3]" 1
995 1 64 ALA MB 1 65 THR MG 0.000 . 6.100 3.865 2.605 5.163 . 0 0 "[ . 1 . 2 . 3]" 1
996 1 64 ALA MB 1 66 GLY H 0.000 . 6.500 4.492 3.480 5.438 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 65 THR H 1 65 THR HB 0.000 . 3.200 3.140 2.472 3.693 0.493 5 0 "[ . 1 . 2 . 3]" 1
998 1 65 THR H 1 65 THR MG 0.000 . 4.300 3.262 2.183 4.004 . 0 0 "[ . 1 . 2 . 3]" 1
999 1 65 THR H 1 66 GLY H 0.000 . 3.000 2.524 1.769 3.192 0.192 9 0 "[ . 1 . 2 . 3]" 1
1000 1 65 THR HA 1 66 GLY H 0.000 . 3.700 3.017 2.429 3.466 . 0 0 "[ . 1 . 2 . 3]" 1
1001 1 65 THR HB 1 75 LEU QD 0.000 . 7.900 5.650 2.786 7.930 0.030 8 0 "[ . 1 . 2 . 3]" 1
1002 1 65 THR MG 1 66 GLY H 0.000 . 5.300 4.020 2.830 4.500 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 65 THR MG 1 75 LEU QD 0.000 . 8.900 4.638 2.152 7.266 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 66 GLY H 1 67 TYR H 0.000 . 5.100 3.556 1.665 4.592 . 0 0 "[ . 1 . 2 . 3]" 1
1005 1 66 GLY QA 1 67 TYR H 0.000 . 4.300 2.405 2.188 2.952 . 0 0 "[ . 1 . 2 . 3]" 1
1006 1 66 GLY QA 1 67 TYR QD 0.000 . 7.500 3.907 2.742 5.345 . 0 0 "[ . 1 . 2 . 3]" 1
1007 1 67 TYR HA 1 67 TYR QE 0.000 . 6.100 4.598 4.080 5.598 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 67 TYR HA 1 68 GLY H 0.000 . 3.300 3.165 2.453 3.540 0.240 17 0 "[ . 1 . 2 . 3]" 1
1009 1 67 TYR HA 1 68 GLY QA 0.000 . 6.500 4.166 3.991 4.280 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 67 TYR HA 1 82 LEU QD 0.000 . 6.500 4.774 3.537 6.433 . 0 0 "[ . 1 . 2 . 3]" 1
1011 1 67 TYR QB 1 68 GLY H 0.000 . 5.100 2.843 1.699 3.904 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 67 TYR QB 1 79 LEU HA 0.000 . 6.500 5.661 4.030 6.616 0.116 24 0 "[ . 1 . 2 . 3]" 1
1013 1 67 TYR QB 1 79 LEU QD 0.000 . 7.500 3.894 2.592 4.820 . 0 0 "[ . 1 . 2 . 3]" 1
1014 1 67 TYR QB 1 82 LEU QD 0.000 . 7.500 3.202 1.914 4.698 . 0 0 "[ . 1 . 2 . 3]" 1
1015 1 67 TYR QD 1 79 LEU QD 0.000 . 8.500 2.909 2.153 4.186 . 0 0 "[ . 1 . 2 . 3]" 1
1016 1 67 TYR QE 1 78 SER HA 0.000 . 7.500 5.154 2.942 7.530 0.030 17 0 "[ . 1 . 2 . 3]" 1
1017 1 67 TYR QE 1 79 LEU H 0.000 . 7.500 5.250 3.493 6.311 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 67 TYR QE 1 79 LEU QB 0.000 . 7.200 5.406 3.980 7.145 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 67 TYR QE 1 79 LEU HG 0.000 . 7.500 4.207 2.938 5.621 . 0 0 "[ . 1 . 2 . 3]" 1
1020 1 67 TYR QE 1 79 LEU QD 0.000 . 8.500 3.212 1.957 4.729 . 0 0 "[ . 1 . 2 . 3]" 1
1021 1 68 GLY H 1 82 LEU QD 0.000 . 6.500 4.501 1.834 6.520 0.020 23 0 "[ . 1 . 2 . 3]" 1
1022 1 68 GLY QA 1 79 LEU QD 0.000 . 7.500 5.850 4.304 7.636 0.136 12 0 "[ . 1 . 2 . 3]" 1
1023 1 68 GLY QA 1 82 LEU QD 0.000 . 7.500 3.844 2.047 6.238 . 0 0 "[ . 1 . 2 . 3]" 1
1024 1 69 PHE H 1 82 LEU QD 0.000 . 6.500 4.139 2.471 5.520 . 0 0 "[ . 1 . 2 . 3]" 1
1025 1 69 PHE QB 1 70 ALA MB 0.000 . 6.500 4.467 4.021 5.015 . 0 0 "[ . 1 . 2 . 3]" 1
1026 1 69 PHE QD 1 70 ALA MB 0.000 . 8.500 5.336 4.452 5.892 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 69 PHE QD 1 91 LEU HG 0.000 . 7.500 7.050 5.456 7.641 0.141 17 0 "[ . 1 . 2 . 3]" 1
1028 1 69 PHE QD 1 91 LEU MD1 0.000 . 8.500 6.727 4.645 7.758 . 0 0 "[ . 1 . 2 . 3]" 1
1029 1 69 PHE QE 1 82 LEU QD 0.000 . 8.500 4.482 2.916 5.372 . 0 0 "[ . 1 . 2 . 3]" 1
1030 1 69 PHE QE 1 91 LEU HG 0.000 . 7.500 5.195 3.513 5.717 . 0 0 "[ . 1 . 2 . 3]" 1
1031 1 69 PHE QE 1 91 LEU MD1 0.000 . 8.500 5.196 2.812 6.238 . 0 0 "[ . 1 . 2 . 3]" 1
1032 1 69 PHE QE 1 91 LEU MD2 0.000 . 8.500 3.820 2.477 5.315 . 0 0 "[ . 1 . 2 . 3]" 1
1033 1 69 PHE HZ 1 82 LEU QD 0.000 . 6.500 5.665 4.044 6.456 . 0 0 "[ . 1 . 2 . 3]" 1
1034 1 69 PHE HZ 1 91 LEU HA 0.000 . 5.500 5.297 4.328 5.667 0.167 15 0 "[ . 1 . 2 . 3]" 1
1035 1 69 PHE HZ 1 91 LEU HG 0.000 . 5.500 5.196 4.284 5.684 0.184 23 0 "[ . 1 . 2 . 3]" 1
1036 1 69 PHE HZ 1 91 LEU MD1 0.000 . 6.500 5.182 2.828 6.431 . 0 0 "[ . 1 . 2 . 3]" 1
1037 1 69 PHE HZ 1 91 LEU MD2 0.000 . 5.900 3.574 2.012 5.788 . 0 0 "[ . 1 . 2 . 3]" 1
1038 1 69 PHE HZ 1 102 LEU QD 0.000 . 6.500 5.683 4.188 6.597 0.097 1 0 "[ . 1 . 2 . 3]" 1
1039 1 70 ALA HA 1 71 GLU H 0.000 . 4.000 2.918 2.165 3.602 . 0 0 "[ . 1 . 2 . 3]" 1
1040 1 70 ALA HA 1 75 LEU H 0.000 . 4.200 4.347 4.113 4.573 0.373 2 0 "[ . 1 . 2 . 3]" 1
1041 1 70 ALA MB 1 71 GLU H 0.000 . 5.900 3.259 2.298 3.667 . 0 0 "[ . 1 . 2 . 3]" 1
1042 1 71 GLU H 1 71 GLU QB 0.000 . 3.500 2.483 2.267 3.317 . 0 0 "[ . 1 . 2 . 3]" 1
1043 1 71 GLU QG 1 73 TYR H 0.000 . 6.500 5.215 2.113 6.814 0.314 25 0 "[ . 1 . 2 . 3]" 1
1044 1 73 TYR H 1 74 ASN H 0.000 . 4.100 3.070 1.849 4.425 0.325 23 0 "[ . 1 . 2 . 3]" 1
1045 1 73 TYR HA 1 74 ASN H 0.000 . 4.000 2.845 2.168 3.578 . 0 0 "[ . 1 . 2 . 3]" 1
1046 1 75 LEU H 1 75 LEU QB 0.000 . 3.800 2.766 2.382 3.369 . 0 0 "[ . 1 . 2 . 3]" 1
1047 1 75 LEU H 1 75 LEU HG 0.000 . 5.000 3.289 1.941 5.157 0.157 20 0 "[ . 1 . 2 . 3]" 1
1048 1 75 LEU H 1 76 TYR H 0.000 . 3.700 3.416 2.042 4.491 0.791 17 1 "[ . 1 . + 2 . 3]" 1
1049 1 75 LEU H 1 76 TYR QD 0.000 . 7.500 4.662 2.163 7.041 . 0 0 "[ . 1 . 2 . 3]" 1
1050 1 75 LEU QB 1 75 LEU HG 0.000 . 2.500 2.381 2.171 2.512 0.012 11 0 "[ . 1 . 2 . 3]" 1
1051 1 75 LEU QB 1 76 TYR H 0.000 . 5.500 3.537 1.567 4.063 . 0 0 "[ . 1 . 2 . 3]" 1
1052 1 75 LEU HG 1 76 TYR H 0.000 . 5.500 4.689 3.221 5.579 0.079 18 0 "[ . 1 . 2 . 3]" 1
1053 1 75 LEU QD 1 76 TYR H 0.000 . 7.900 3.734 1.800 4.513 . 0 0 "[ . 1 . 2 . 3]" 1
1054 1 76 TYR HA 1 77 SER H 0.000 . 3.100 2.345 2.170 3.522 0.422 21 0 "[ . 1 . 2 . 3]" 1
1055 1 76 TYR QB 1 77 SER H 0.000 . 5.200 2.955 1.773 3.909 . 0 0 "[ . 1 . 2 . 3]" 1
1056 1 76 TYR QB 1 78 SER H 0.000 . 5.400 3.261 2.421 4.214 . 0 0 "[ . 1 . 2 . 3]" 1
1057 1 76 TYR QB 1 81 GLU QB 0.000 . 6.500 3.132 1.897 4.797 . 0 0 "[ . 1 . 2 . 3]" 1
1058 1 76 TYR QB 1 81 GLU QG 0.000 . 6.500 4.525 2.570 6.467 . 0 0 "[ . 1 . 2 . 3]" 1
1059 1 76 TYR QB 1 82 LEU H 0.000 . 6.500 3.834 2.845 5.428 . 0 0 "[ . 1 . 2 . 3]" 1
1060 1 76 TYR QB 1 82 LEU QB 0.000 . 6.500 3.204 2.136 5.629 . 0 0 "[ . 1 . 2 . 3]" 1
1061 1 76 TYR QB 1 82 LEU QD 0.000 . 7.500 3.560 2.080 6.043 . 0 0 "[ . 1 . 2 . 3]" 1
1062 1 76 TYR QD 1 77 SER H 0.000 . 7.500 3.960 3.274 4.835 . 0 0 "[ . 1 . 2 . 3]" 1
1063 1 76 TYR QD 1 81 GLU QB 0.000 . 7.500 3.710 2.519 5.916 . 0 0 "[ . 1 . 2 . 3]" 1
1064 1 77 SER H 1 78 SER H 0.000 . 3.600 2.604 2.235 2.862 . 0 0 "[ . 1 . 2 . 3]" 1
1065 1 77 SER H 1 81 GLU QB 0.000 . 3.900 3.639 2.901 4.074 0.174 7 0 "[ . 1 . 2 . 3]" 1
1066 1 77 SER QB 1 78 SER H 0.000 . 6.300 2.941 2.399 3.762 . 0 0 "[ . 1 . 2 . 3]" 1
1067 1 78 SER H 1 78 SER QB 0.000 . 3.300 2.817 2.455 3.296 . 0 0 "[ . 1 . 2 . 3]" 1
1068 1 78 SER H 1 81 GLU H 0.000 . 4.400 3.803 3.463 4.134 . 0 0 "[ . 1 . 2 . 3]" 1
1069 1 78 SER H 1 81 GLU QB 0.000 . 2.900 2.641 2.159 2.981 0.081 3 0 "[ . 1 . 2 . 3]" 1
1070 1 78 SER H 1 81 GLU QG 0.000 . 4.600 3.877 2.932 4.691 0.091 5 0 "[ . 1 . 2 . 3]" 1
1071 1 78 SER HA 1 79 LEU HG 0.000 . 5.500 4.040 3.745 5.637 0.137 18 0 "[ . 1 . 2 . 3]" 1
1072 1 78 SER HA 1 80 LYS H 0.000 . 4.700 4.259 4.055 4.587 . 0 0 "[ . 1 . 2 . 3]" 1
1073 1 78 SER HA 1 81 GLU H 0.000 . 5.000 4.729 4.535 5.033 0.033 21 0 "[ . 1 . 2 . 3]" 1
1074 1 78 SER QB 1 79 LEU H 0.000 . 4.400 2.776 2.229 3.610 . 0 0 "[ . 1 . 2 . 3]" 1
1075 1 79 LEU H 1 79 LEU QB 0.000 . 3.400 2.375 2.082 2.473 . 0 0 "[ . 1 . 2 . 3]" 1
1076 1 79 LEU H 1 79 LEU HG 0.000 . 3.900 2.370 2.045 3.945 0.045 18 0 "[ . 1 . 2 . 3]" 1
1077 1 79 LEU H 1 80 LYS H 0.000 . 3.700 2.680 2.567 2.809 . 0 0 "[ . 1 . 2 . 3]" 1
1078 1 79 LEU HA 1 80 LYS H 0.000 . 5.300 3.544 3.496 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
1079 1 79 LEU HA 1 82 LEU H 0.000 . 4.500 3.158 2.802 3.505 . 0 0 "[ . 1 . 2 . 3]" 1
1080 1 79 LEU HA 1 82 LEU QB 0.000 . 4.000 2.463 2.002 2.884 . 0 0 "[ . 1 . 2 . 3]" 1
1081 1 79 LEU HA 1 82 LEU QD 0.000 . 6.500 3.407 2.624 3.999 . 0 0 "[ . 1 . 2 . 3]" 1
1082 1 79 LEU HA 1 83 VAL H 0.000 . 5.400 4.347 3.684 4.711 . 0 0 "[ . 1 . 2 . 3]" 1
1083 1 79 LEU HA 1 83 VAL QG 0.000 . 6.500 4.568 3.597 5.368 . 0 0 "[ . 1 . 2 . 3]" 1
1084 1 79 LEU QB 1 80 LYS H 0.000 . 3.600 2.673 2.425 2.865 . 0 0 "[ . 1 . 2 . 3]" 1
1085 1 79 LEU QB 1 82 LEU QD 0.000 . 6.500 4.088 3.466 5.158 . 0 0 "[ . 1 . 2 . 3]" 1
1086 1 79 LEU QB 1 83 VAL QG 0.000 . 6.500 3.880 2.911 4.707 . 0 0 "[ . 1 . 2 . 3]" 1
1087 1 79 LEU QB 1 80 LYS HA 0.000 . 5.300 3.912 3.848 4.008 . 0 0 "[ . 1 . 2 . 3]" 1
1088 1 79 LEU QB 1 80 LYS QD 0.000 . 6.500 5.324 3.888 6.400 . 0 0 "[ . 1 . 2 . 3]" 1
1089 1 79 LEU HG 1 80 LYS H 0.000 . 5.500 4.448 4.147 5.045 . 0 0 "[ . 1 . 2 . 3]" 1
1090 1 79 LEU QD 1 80 LYS H 0.000 . 6.500 4.095 3.710 4.230 . 0 0 "[ . 1 . 2 . 3]" 1
1091 1 79 LEU QD 1 83 VAL QG 0.000 . 7.500 4.094 2.542 4.945 . 0 0 "[ . 1 . 2 . 3]" 1
1092 1 79 LEU QD 1 82 LEU QB 0.000 . 6.500 2.997 2.342 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
1093 1 79 LEU QD 1 83 VAL HA 0.000 . 6.500 6.138 4.715 6.527 0.027 15 0 "[ . 1 . 2 . 3]" 1
1094 1 79 LEU QD 1 83 VAL HB 0.000 . 6.500 5.926 4.497 6.563 0.063 15 0 "[ . 1 . 2 . 3]" 1
1095 1 80 LYS H 1 80 LYS QB 0.000 . 3.900 2.374 2.270 2.501 . 0 0 "[ . 1 . 2 . 3]" 1
1096 1 80 LYS H 1 80 LYS QD 0.000 . 4.900 3.853 3.418 4.718 . 0 0 "[ . 1 . 2 . 3]" 1
1097 1 80 LYS H 1 80 LYS QE 0.000 . 6.500 4.688 4.134 5.788 . 0 0 "[ . 1 . 2 . 3]" 1
1098 1 80 LYS H 1 81 GLU H 0.000 . 3.700 2.741 2.643 2.933 . 0 0 "[ . 1 . 2 . 3]" 1
1099 1 80 LYS HA 1 83 VAL H 0.000 . 4.300 3.597 3.402 3.830 . 0 0 "[ . 1 . 2 . 3]" 1
1100 1 80 LYS HA 1 83 VAL HB 0.000 . 4.000 3.430 2.775 4.100 0.100 8 0 "[ . 1 . 2 . 3]" 1
1101 1 80 LYS HA 1 83 VAL QG 0.000 . 6.500 3.104 2.645 3.624 . 0 0 "[ . 1 . 2 . 3]" 1
1102 1 80 LYS QB 1 83 VAL QG 0.000 . 7.500 4.535 3.976 4.951 . 0 0 "[ . 1 . 2 . 3]" 1
1103 1 80 LYS QB 1 84 LEU QD 0.000 . 7.500 3.534 2.660 5.795 . 0 0 "[ . 1 . 2 . 3]" 1
1104 1 80 LYS QG 1 81 GLU H 0.000 . 6.500 4.025 3.476 4.178 . 0 0 "[ . 1 . 2 . 3]" 1
1105 1 80 LYS QG 1 81 GLU HA 0.000 . 6.500 5.431 3.554 5.814 . 0 0 "[ . 1 . 2 . 3]" 1
1106 1 80 LYS QG 1 81 GLU QB 0.000 . 6.500 5.608 4.631 5.965 . 0 0 "[ . 1 . 2 . 3]" 1
1107 1 80 LYS QG 1 83 VAL H 0.000 . 6.500 5.371 4.868 5.714 . 0 0 "[ . 1 . 2 . 3]" 1
1108 1 80 LYS QG 1 83 VAL QG 0.000 . 7.500 4.207 3.221 4.755 . 0 0 "[ . 1 . 2 . 3]" 1
1109 1 80 LYS QG 1 84 LEU QD 0.000 . 7.400 4.528 2.618 5.966 . 0 0 "[ . 1 . 2 . 3]" 1
1110 1 80 LYS QE 1 84 LEU QD 0.000 . 7.500 5.491 3.118 7.111 . 0 0 "[ . 1 . 2 . 3]" 1
1111 1 81 GLU H 1 81 GLU QB 0.000 . 3.000 2.354 2.241 2.475 . 0 0 "[ . 1 . 2 . 3]" 1
1112 1 81 GLU H 1 81 GLU QG 0.000 . 4.100 2.909 2.109 4.048 . 0 0 "[ . 1 . 2 . 3]" 1
1113 1 81 GLU H 1 82 LEU H 0.000 . 3.600 2.591 2.436 2.748 . 0 0 "[ . 1 . 2 . 3]" 1
1114 1 81 GLU HA 1 84 LEU H 0.000 . 3.800 3.342 3.207 3.608 . 0 0 "[ . 1 . 2 . 3]" 1
1115 1 81 GLU HA 1 84 LEU QB 0.000 . 3.600 2.461 2.195 2.802 . 0 0 "[ . 1 . 2 . 3]" 1
1116 1 81 GLU HA 1 84 LEU HG 0.000 . 4.800 4.017 3.222 4.898 0.098 17 0 "[ . 1 . 2 . 3]" 1
1117 1 81 GLU HA 1 84 LEU QD 0.000 . 6.000 2.667 2.129 3.565 . 0 0 "[ . 1 . 2 . 3]" 1
1118 1 81 GLU HA 1 85 HIS H 0.000 . 4.200 3.756 3.339 4.163 . 0 0 "[ . 1 . 2 . 3]" 1
1119 1 81 GLU QB 1 82 LEU H 0.000 . 4.600 2.683 2.500 2.978 . 0 0 "[ . 1 . 2 . 3]" 1
1120 1 81 GLU QB 1 82 LEU QB 0.000 . 5.500 4.068 3.891 4.196 . 0 0 "[ . 1 . 2 . 3]" 1
1121 1 81 GLU QB 1 84 LEU QB 0.000 . 5.500 4.131 3.748 4.549 . 0 0 "[ . 1 . 2 . 3]" 1
1122 1 81 GLU QB 1 84 LEU QD 0.000 . 6.500 4.176 3.776 4.685 . 0 0 "[ . 1 . 2 . 3]" 1
1123 1 81 GLU QG 1 82 LEU QB 0.000 . 5.500 5.314 4.599 5.689 0.189 23 0 "[ . 1 . 2 . 3]" 1
1124 1 81 GLU QG 1 84 LEU QB 0.000 . 5.500 3.840 3.055 4.512 . 0 0 "[ . 1 . 2 . 3]" 1
1125 1 81 GLU QG 1 84 LEU QD 0.000 . 6.500 3.540 2.851 4.296 . 0 0 "[ . 1 . 2 . 3]" 1
1126 1 81 GLU QG 1 85 HIS H 0.000 . 5.500 4.779 3.178 5.594 0.094 27 0 "[ . 1 . 2 . 3]" 1
1127 1 82 LEU H 1 82 LEU QB 0.000 . 3.300 2.262 2.218 2.291 . 0 0 "[ . 1 . 2 . 3]" 1
1128 1 82 LEU H 1 83 VAL H 0.000 . 3.600 2.779 2.672 2.870 . 0 0 "[ . 1 . 2 . 3]" 1
1129 1 82 LEU H 1 83 VAL QG 0.000 . 6.500 4.220 4.103 4.460 . 0 0 "[ . 1 . 2 . 3]" 1
1130 1 82 LEU HA 1 83 VAL H 0.000 . 5.000 3.573 3.553 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
1131 1 82 LEU HA 1 85 HIS H 0.000 . 3.900 3.596 3.350 3.804 . 0 0 "[ . 1 . 2 . 3]" 1
1132 1 82 LEU HA 1 85 HIS QB 0.000 . 4.200 2.787 2.500 3.236 . 0 0 "[ . 1 . 2 . 3]" 1
1133 1 82 LEU HA 1 86 TYR QD 0.000 . 7.500 4.021 3.183 5.651 . 0 0 "[ . 1 . 2 . 3]" 1
1134 1 82 LEU HA 1 86 TYR QE 0.000 . 7.500 4.311 3.353 7.573 0.073 1 0 "[ . 1 . 2 . 3]" 1
1135 1 82 LEU QB 1 83 VAL H 0.000 . 3.600 2.461 2.315 2.564 . 0 0 "[ . 1 . 2 . 3]" 1
1136 1 82 LEU QB 1 83 VAL QG 0.000 . 6.500 3.250 2.949 4.163 . 0 0 "[ . 1 . 2 . 3]" 1
1137 1 82 LEU QD 1 83 VAL H 0.000 . 6.500 2.955 2.556 3.617 . 0 0 "[ . 1 . 2 . 3]" 1
1138 1 82 LEU QD 1 83 VAL HB 0.000 . 6.200 4.299 3.116 5.250 . 0 0 "[ . 1 . 2 . 3]" 1
1139 1 82 LEU QD 1 83 VAL QG 0.000 . 5.700 2.729 2.127 3.802 . 0 0 "[ . 1 . 2 . 3]" 1
1140 1 82 LEU QD 1 85 HIS QB 0.000 . 6.500 3.886 2.932 4.635 . 0 0 "[ . 1 . 2 . 3]" 1
1141 1 82 LEU QD 1 86 TYR QD 0.000 . 8.500 2.858 2.189 3.936 . 0 0 "[ . 1 . 2 . 3]" 1
1142 1 82 LEU QD 1 86 TYR QE 0.000 . 8.300 2.749 1.966 4.421 . 0 0 "[ . 1 . 2 . 3]" 1
1143 1 82 LEU QD 1 102 LEU QD 0.000 . 7.500 3.249 2.730 3.807 . 0 0 "[ . 1 . 2 . 3]" 1
1144 1 82 LEU QD 1 83 VAL HA 0.000 . 5.800 2.726 2.386 4.025 . 0 0 "[ . 1 . 2 . 3]" 1
1145 1 82 LEU QD 1 86 TYR H 0.000 . 6.500 3.773 3.216 4.550 . 0 0 "[ . 1 . 2 . 3]" 1
1146 1 82 LEU QD 1 86 TYR QB 0.000 . 6.500 3.317 2.128 4.111 . 0 0 "[ . 1 . 2 . 3]" 1
1147 1 83 VAL H 1 83 VAL HB 0.000 . 3.200 2.480 2.315 2.602 . 0 0 "[ . 1 . 2 . 3]" 1
1148 1 83 VAL HA 1 84 LEU H 0.000 . 4.800 3.563 3.540 3.595 . 0 0 "[ . 1 . 2 . 3]" 1
1149 1 83 VAL HA 1 86 TYR H 0.000 . 4.200 3.713 3.545 3.845 . 0 0 "[ . 1 . 2 . 3]" 1
1150 1 83 VAL HA 1 86 TYR QB 0.000 . 4.600 3.055 2.511 3.530 . 0 0 "[ . 1 . 2 . 3]" 1
1151 1 83 VAL HA 1 102 LEU QD 0.000 . 5.000 2.816 2.193 3.265 . 0 0 "[ . 1 . 2 . 3]" 1
1152 1 83 VAL HB 1 102 LEU QD 0.000 . 6.500 4.944 3.999 5.479 . 0 0 "[ . 1 . 2 . 3]" 1
1153 1 83 VAL QG 1 84 LEU H 0.000 . 6.500 2.980 1.625 3.278 . 0 0 "[ . 1 . 2 . 3]" 1
1154 1 83 VAL QG 1 84 LEU HA 0.000 . 6.500 3.379 2.878 3.696 . 0 0 "[ . 1 . 2 . 3]" 1
1155 1 83 VAL QG 1 84 LEU HG 0.000 . 6.500 3.920 2.099 5.820 . 0 0 "[ . 1 . 2 . 3]" 1
1156 1 83 VAL QG 1 84 LEU QD 0.000 . 6.300 3.300 2.507 4.216 . 0 0 "[ . 1 . 2 . 3]" 1
1157 1 83 VAL QG 1 87 GLN H 0.000 . 6.500 4.342 4.081 4.530 . 0 0 "[ . 1 . 2 . 3]" 1
1158 1 83 VAL QG 1 102 LEU QB 0.000 . 6.500 2.873 2.442 4.102 . 0 0 "[ . 1 . 2 . 3]" 1
1159 1 83 VAL QG 1 102 LEU QD 0.000 . 6.900 2.727 1.847 3.213 . 0 0 "[ . 1 . 2 . 3]" 1
1160 1 84 LEU H 1 84 LEU QB 0.000 . 3.000 2.351 2.256 2.427 . 0 0 "[ . 1 . 2 . 3]" 1
1161 1 84 LEU H 1 84 LEU HG 0.000 . 5.000 2.826 2.148 4.457 . 0 0 "[ . 1 . 2 . 3]" 1
1162 1 84 LEU H 1 85 HIS H 0.000 . 3.400 2.708 2.577 2.871 . 0 0 "[ . 1 . 2 . 3]" 1
1163 1 84 LEU HA 1 84 LEU HG 0.000 . 4.300 2.862 2.209 3.639 . 0 0 "[ . 1 . 2 . 3]" 1
1164 1 84 LEU HA 1 85 HIS H 0.000 . 4.300 3.566 3.537 3.599 . 0 0 "[ . 1 . 2 . 3]" 1
1165 1 84 LEU HA 1 87 GLN H 0.000 . 4.000 3.476 3.240 3.860 . 0 0 "[ . 1 . 2 . 3]" 1
1166 1 84 LEU HA 1 87 GLN QB 0.000 . 3.800 2.840 2.331 3.723 . 0 0 "[ . 1 . 2 . 3]" 1
1167 1 84 LEU QB 1 85 HIS H 0.000 . 3.800 2.518 2.379 2.706 . 0 0 "[ . 1 . 2 . 3]" 1
1168 1 84 LEU HG 1 85 HIS H 0.000 . 5.500 4.326 3.490 5.040 . 0 0 "[ . 1 . 2 . 3]" 1
1169 1 84 LEU QD 1 85 HIS H 0.000 . 6.500 3.954 3.668 4.147 . 0 0 "[ . 1 . 2 . 3]" 1
1170 1 84 LEU QD 1 86 TYR QD 0.000 . 8.500 6.597 6.197 7.343 . 0 0 "[ . 1 . 2 . 3]" 1
1171 1 84 LEU QD 1 87 GLN H 0.000 . 6.500 4.725 4.156 5.210 . 0 0 "[ . 1 . 2 . 3]" 1
1172 1 85 HIS H 1 85 HIS QB 0.000 . 3.800 2.274 2.137 2.403 . 0 0 "[ . 1 . 2 . 3]" 1
1173 1 85 HIS H 1 86 TYR H 0.000 . 3.400 2.776 2.611 2.952 . 0 0 "[ . 1 . 2 . 3]" 1
1174 1 85 HIS HA 1 86 TYR H 0.000 . 4.300 3.568 3.539 3.611 . 0 0 "[ . 1 . 2 . 3]" 1
1175 1 85 HIS HA 1 88 HIS H 0.000 . 4.300 3.659 3.087 4.112 . 0 0 "[ . 1 . 2 . 3]" 1
1176 1 85 HIS HA 1 88 HIS QB 0.000 . 5.500 3.626 2.864 4.727 . 0 0 "[ . 1 . 2 . 3]" 1
1177 1 85 HIS QB 1 86 TYR H 0.000 . 4.300 2.554 2.371 2.695 . 0 0 "[ . 1 . 2 . 3]" 1
1178 1 86 TYR H 1 86 TYR QB 0.000 . 3.400 2.285 2.083 2.470 . 0 0 "[ . 1 . 2 . 3]" 1
1179 1 86 TYR H 1 87 GLN H 0.000 . 3.300 2.609 2.487 2.789 . 0 0 "[ . 1 . 2 . 3]" 1
1180 1 86 TYR HA 1 86 TYR QE 0.000 . 6.100 4.337 4.062 4.531 . 0 0 "[ . 1 . 2 . 3]" 1
1181 1 86 TYR HA 1 87 GLN H 0.000 . 4.100 3.482 3.413 3.539 . 0 0 "[ . 1 . 2 . 3]" 1
1182 1 86 TYR HA 1 88 HIS H 0.000 . 4.000 4.003 3.592 4.200 0.200 15 0 "[ . 1 . 2 . 3]" 1
1183 1 86 TYR HA 1 89 THR H 0.000 . 3.000 3.011 2.772 3.163 0.163 1 0 "[ . 1 . 2 . 3]" 1
1184 1 86 TYR HA 1 89 THR HB 0.000 . 3.600 2.807 2.173 3.821 0.221 9 0 "[ . 1 . 2 . 3]" 1
1185 1 86 TYR HA 1 89 THR MG 0.000 . 6.500 3.822 1.962 4.342 . 0 0 "[ . 1 . 2 . 3]" 1
1186 1 86 TYR HA 1 102 LEU QD 0.000 . 6.500 4.217 3.427 4.614 . 0 0 "[ . 1 . 2 . 3]" 1
1187 1 86 TYR QB 1 91 LEU MD1 0.000 . 5.700 3.711 2.545 4.818 . 0 0 "[ . 1 . 2 . 3]" 1
1188 1 86 TYR QB 1 91 LEU MD2 0.000 . 6.500 4.038 3.104 5.777 . 0 0 "[ . 1 . 2 . 3]" 1
1189 1 86 TYR QB 1 102 LEU HG 0.000 . 4.900 2.369 1.935 4.043 . 0 0 "[ . 1 . 2 . 3]" 1
1190 1 86 TYR QB 1 102 LEU QD 0.000 . 6.000 1.980 1.722 2.249 . 0 0 "[ . 1 . 2 . 3]" 1
1191 1 86 TYR QD 1 89 THR HB 0.000 . 7.500 4.286 3.180 5.474 . 0 0 "[ . 1 . 2 . 3]" 1
1192 1 86 TYR QD 1 89 THR MG 0.000 . 8.500 4.541 2.976 5.302 . 0 0 "[ . 1 . 2 . 3]" 1
1193 1 86 TYR QD 1 91 LEU MD1 0.000 . 8.500 3.541 2.258 4.693 . 0 0 "[ . 1 . 2 . 3]" 1
1194 1 86 TYR QD 1 91 LEU MD2 0.000 . 8.500 3.292 2.226 4.449 . 0 0 "[ . 1 . 2 . 3]" 1
1195 1 86 TYR QD 1 102 LEU QD 0.000 . 8.500 2.285 1.926 2.900 . 0 0 "[ . 1 . 2 . 3]" 1
1196 1 86 TYR QE 1 89 THR HB 0.000 . 7.500 5.318 4.198 6.251 . 0 0 "[ . 1 . 2 . 3]" 1
1197 1 86 TYR QE 1 89 THR MG 0.000 . 8.500 4.991 3.843 5.878 . 0 0 "[ . 1 . 2 . 3]" 1
1198 1 86 TYR QE 1 91 LEU HA 0.000 . 7.500 5.504 2.619 7.325 . 0 0 "[ . 1 . 2 . 3]" 1
1199 1 86 TYR QE 1 91 LEU HG 0.000 . 7.500 4.768 2.190 6.917 . 0 0 "[ . 1 . 2 . 3]" 1
1200 1 86 TYR QE 1 91 LEU MD1 0.000 . 8.500 4.683 2.835 5.775 . 0 0 "[ . 1 . 2 . 3]" 1
1201 1 86 TYR QE 1 91 LEU MD2 0.000 . 8.500 3.652 1.988 5.493 . 0 0 "[ . 1 . 2 . 3]" 1
1202 1 87 GLN H 1 87 GLN QB 0.000 . 3.900 2.324 2.094 2.746 . 0 0 "[ . 1 . 2 . 3]" 1
1203 1 87 GLN H 1 88 HIS H 0.000 . 3.300 2.617 2.354 2.755 . 0 0 "[ . 1 . 2 . 3]" 1
1204 1 87 GLN HA 1 88 HIS H 0.000 . 5.100 3.526 3.416 3.557 . 0 0 "[ . 1 . 2 . 3]" 1
1205 1 87 GLN HA 1 91 LEU MD1 0.000 . 6.500 5.633 4.600 6.529 0.029 9 0 "[ . 1 . 2 . 3]" 1
1206 1 87 GLN HA 1 101 THR HA 0.000 . 3.800 3.910 3.771 4.113 0.313 1 0 "[ . 1 . 2 . 3]" 1
1207 1 87 GLN HA 1 101 THR HB 0.000 . 5.500 2.576 2.162 4.158 . 0 0 "[ . 1 . 2 . 3]" 1
1208 1 87 GLN HA 1 102 LEU H 0.000 . 3.500 2.421 2.024 2.818 . 0 0 "[ . 1 . 2 . 3]" 1
1209 1 87 GLN HA 1 102 LEU QB 0.000 . 5.500 3.069 2.473 4.458 . 0 0 "[ . 1 . 2 . 3]" 1
1210 1 87 GLN HA 1 102 LEU QD 0.000 . 6.500 4.094 2.311 4.663 . 0 0 "[ . 1 . 2 . 3]" 1
1211 1 87 GLN HA 1 103 ALA HA 0.000 . 3.700 3.661 3.155 3.923 0.223 1 0 "[ . 1 . 2 . 3]" 1
1212 1 87 GLN QB 1 87 GLN HE21 0.000 . 3.800 3.053 1.712 3.869 0.069 7 0 "[ . 1 . 2 . 3]" 1
1213 1 87 GLN QB 1 88 HIS H 0.000 . 4.600 2.906 2.583 3.759 . 0 0 "[ . 1 . 2 . 3]" 1
1214 1 87 GLN QG 1 88 HIS H 0.000 . 6.500 3.305 1.918 4.284 . 0 0 "[ . 1 . 2 . 3]" 1
1215 1 87 GLN QG 1 103 ALA HA 0.000 . 6.500 2.863 1.949 4.381 . 0 0 "[ . 1 . 2 . 3]" 1
1216 1 87 GLN HE21 1 103 ALA HA 0.000 . 5.500 3.908 1.775 5.225 . 0 0 "[ . 1 . 2 . 3]" 1
1217 1 87 GLN HE22 1 103 ALA HA 0.000 . 5.500 4.377 2.399 5.428 . 0 0 "[ . 1 . 2 . 3]" 1
1218 1 88 HIS H 1 89 THR H 0.000 . 2.800 2.300 2.110 2.561 . 0 0 "[ . 1 . 2 . 3]" 1
1219 1 88 HIS H 1 89 THR MG 0.000 . 6.500 5.199 3.335 5.932 . 0 0 "[ . 1 . 2 . 3]" 1
1220 1 88 HIS H 1 101 THR HG1 0.000 . 6.500 4.642 3.863 5.481 . 0 0 "[ . 1 . 2 . 3]" 1
1221 1 88 HIS HA 1 89 THR H 0.000 . 3.700 3.463 3.341 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
1222 1 88 HIS HA 1 101 THR HG1 0.000 . 5.800 3.787 3.232 4.827 . 0 0 "[ . 1 . 2 . 3]" 1
1223 1 88 HIS QB 1 89 THR H 0.000 . 5.500 3.020 2.582 3.814 . 0 0 "[ . 1 . 2 . 3]" 1
1224 1 88 HIS QB 1 101 THR HG1 0.000 . 6.500 4.990 4.466 5.827 . 0 0 "[ . 1 . 2 . 3]" 1
1225 1 89 THR H 1 89 THR HB 0.000 . 3.400 2.834 2.477 3.654 0.254 9 0 "[ . 1 . 2 . 3]" 1
1226 1 89 THR H 1 101 THR HG1 0.000 . 5.700 3.938 3.253 4.939 . 0 0 "[ . 1 . 2 . 3]" 1
1227 1 89 THR HA 1 90 SER H 0.000 . 2.700 2.203 2.149 2.312 . 0 0 "[ . 1 . 2 . 3]" 1
1228 1 89 THR HA 1 90 SER QB 0.000 . 4.000 4.161 4.055 4.283 0.283 7 0 "[ . 1 . 2 . 3]" 1
1229 1 89 THR HA 1 101 THR HG1 0.000 . 6.500 4.129 3.506 4.782 . 0 0 "[ . 1 . 2 . 3]" 1
1230 1 89 THR MG 1 90 SER H 0.000 . 4.600 2.776 1.800 4.061 . 0 0 "[ . 1 . 2 . 3]" 1
1231 1 89 THR MG 1 91 LEU MD2 0.000 . 7.500 5.321 2.797 7.545 0.045 22 0 "[ . 1 . 2 . 3]" 1
1232 1 90 SER H 1 90 SER QB 0.000 . 2.900 2.318 2.187 2.452 . 0 0 "[ . 1 . 2 . 3]" 1
1233 1 90 SER H 1 91 LEU H 0.000 . 4.800 4.560 4.468 4.632 . 0 0 "[ . 1 . 2 . 3]" 1
1234 1 90 SER H 1 92 VAL MG1 0.000 . 6.500 4.927 3.982 6.763 0.263 7 0 "[ . 1 . 2 . 3]" 1
1235 1 90 SER H 1 101 THR HG1 0.000 . 4.800 3.727 3.410 4.671 . 0 0 "[ . 1 . 2 . 3]" 1
1236 1 90 SER HA 1 91 LEU H 0.000 . 3.000 2.208 2.171 2.265 . 0 0 "[ . 1 . 2 . 3]" 1
1237 1 90 SER HA 1 91 LEU HG 0.000 . 5.500 4.550 3.779 5.556 0.056 4 0 "[ . 1 . 2 . 3]" 1
1238 1 90 SER HA 1 91 LEU MD1 0.000 . 6.400 4.047 2.919 5.214 . 0 0 "[ . 1 . 2 . 3]" 1
1239 1 90 SER HA 1 91 LEU MD2 0.000 . 6.500 5.215 2.698 5.758 . 0 0 "[ . 1 . 2 . 3]" 1
1240 1 90 SER HA 1 92 VAL H 0.000 . 4.200 3.845 3.600 4.263 0.063 27 0 "[ . 1 . 2 . 3]" 1
1241 1 90 SER HA 1 101 THR HA 0.000 . 3.500 3.300 2.942 3.608 0.108 24 0 "[ . 1 . 2 . 3]" 1
1242 1 90 SER HA 1 101 THR HG1 0.000 . 5.100 2.204 1.922 3.303 . 0 0 "[ . 1 . 2 . 3]" 1
1243 1 90 SER QB 1 91 LEU H 0.000 . 4.100 3.443 3.012 3.816 . 0 0 "[ . 1 . 2 . 3]" 1
1244 1 90 SER QB 1 92 VAL H 0.000 . 4.500 3.191 2.408 3.940 . 0 0 "[ . 1 . 2 . 3]" 1
1245 1 90 SER QB 1 92 VAL MG1 0.000 . 5.700 3.212 2.171 4.834 . 0 0 "[ . 1 . 2 . 3]" 1
1246 1 90 SER QB 1 92 VAL MG2 0.000 . 6.500 3.786 1.843 4.788 . 0 0 "[ . 1 . 2 . 3]" 1
1247 1 90 SER QB 1 101 THR HG1 0.000 . 5.600 3.109 2.588 4.291 . 0 0 "[ . 1 . 2 . 3]" 1
1248 1 91 LEU H 1 91 LEU QB 0.000 . 3.400 2.330 2.208 2.421 . 0 0 "[ . 1 . 2 . 3]" 1
1249 1 91 LEU H 1 91 LEU HG 0.000 . 4.100 2.908 2.239 3.760 . 0 0 "[ . 1 . 2 . 3]" 1
1250 1 91 LEU H 1 92 VAL MG1 0.000 . 6.500 4.786 3.934 6.089 . 0 0 "[ . 1 . 2 . 3]" 1
1251 1 91 LEU H 1 100 VAL H 0.000 . 2.800 2.700 2.373 2.931 0.131 15 0 "[ . 1 . 2 . 3]" 1
1252 1 91 LEU H 1 100 VAL MG1 0.000 . 6.500 3.660 2.896 4.976 . 0 0 "[ . 1 . 2 . 3]" 1
1253 1 91 LEU H 1 101 THR HA 0.000 . 3.400 3.500 3.387 3.628 0.228 9 0 "[ . 1 . 2 . 3]" 1
1254 1 91 LEU H 1 101 THR HG1 0.000 . 6.500 3.534 3.023 4.363 . 0 0 "[ . 1 . 2 . 3]" 1
1255 1 91 LEU HA 1 91 LEU HG 0.000 . 4.500 2.509 2.183 3.631 . 0 0 "[ . 1 . 2 . 3]" 1
1256 1 91 LEU HA 1 92 VAL H 0.000 . 4.700 3.478 3.391 3.602 . 0 0 "[ . 1 . 2 . 3]" 1
1257 1 91 LEU HG 1 92 VAL H 0.000 . 5.500 4.800 4.433 5.518 0.018 4 0 "[ . 1 . 2 . 3]" 1
1258 1 91 LEU HG 1 100 VAL MG1 0.000 . 6.500 4.204 3.046 5.426 . 0 0 "[ . 1 . 2 . 3]" 1
1259 1 91 LEU HG 1 102 LEU H 0.000 . 5.500 5.117 4.403 5.605 0.105 13 0 "[ . 1 . 2 . 3]" 1
1260 1 91 LEU MD1 1 92 VAL H 0.000 . 5.500 4.413 3.908 5.050 . 0 0 "[ . 1 . 2 . 3]" 1
1261 1 91 LEU MD1 1 99 ASN HA 0.000 . 6.500 5.630 5.190 6.624 0.124 4 0 "[ . 1 . 2 . 3]" 1
1262 1 91 LEU MD1 1 100 VAL H 0.000 . 6.500 3.809 3.373 5.550 . 0 0 "[ . 1 . 2 . 3]" 1
1263 1 91 LEU MD1 1 101 THR H 0.000 . 6.500 4.467 3.950 6.377 . 0 0 "[ . 1 . 2 . 3]" 1
1264 1 91 LEU MD1 1 101 THR HA 0.000 . 5.900 3.062 2.290 4.342 . 0 0 "[ . 1 . 2 . 3]" 1
1265 1 91 LEU MD1 1 102 LEU H 0.000 . 6.500 3.728 2.615 5.066 . 0 0 "[ . 1 . 2 . 3]" 1
1266 1 91 LEU MD1 1 102 LEU HA 0.000 . 6.500 4.668 4.239 6.515 0.015 4 0 "[ . 1 . 2 . 3]" 1
1267 1 91 LEU MD1 1 102 LEU QB 0.000 . 6.500 4.535 3.396 5.691 . 0 0 "[ . 1 . 2 . 3]" 1
1268 1 91 LEU MD1 1 102 LEU QD 0.000 . 6.200 2.652 1.890 4.542 . 0 0 "[ . 1 . 2 . 3]" 1
1269 1 91 LEU MD2 1 92 VAL H 0.000 . 6.500 4.891 3.765 5.188 . 0 0 "[ . 1 . 2 . 3]" 1
1270 1 91 LEU MD2 1 98 LEU QD 0.000 . 7.000 3.265 2.345 5.194 . 0 0 "[ . 1 . 2 . 3]" 1
1271 1 91 LEU MD2 1 100 VAL MG1 0.000 . 7.400 3.830 2.195 5.556 . 0 0 "[ . 1 . 2 . 3]" 1
1272 1 91 LEU MD2 1 100 VAL MG2 0.000 . 7.500 5.111 3.516 6.579 . 0 0 "[ . 1 . 2 . 3]" 1
1273 1 91 LEU MD2 1 101 THR HG1 0.000 . 7.500 5.358 3.225 6.296 . 0 0 "[ . 1 . 2 . 3]" 1
1274 1 91 LEU MD2 1 102 LEU H 0.000 . 6.500 4.989 3.155 6.020 . 0 0 "[ . 1 . 2 . 3]" 1
1275 1 91 LEU MD2 1 102 LEU HA 0.000 . 6.500 5.946 4.681 6.625 0.125 8 0 "[ . 1 . 2 . 3]" 1
1276 1 91 LEU MD2 1 102 LEU QD 0.000 . 5.600 3.131 2.037 4.966 . 0 0 "[ . 1 . 2 . 3]" 1
1277 1 92 VAL H 1 92 VAL HB 0.000 . 3.100 2.670 2.310 3.470 0.370 7 0 "[ . 1 . 2 . 3]" 1
1278 1 92 VAL H 1 92 VAL MG1 0.000 . 4.800 2.956 2.166 4.034 . 0 0 "[ . 1 . 2 . 3]" 1
1279 1 92 VAL H 1 99 ASN HA 0.000 . 3.200 2.716 1.843 3.100 . 0 0 "[ . 1 . 2 . 3]" 1
1280 1 92 VAL H 1 99 ASN QB 0.000 . 5.500 4.581 3.772 4.997 . 0 0 "[ . 1 . 2 . 3]" 1
1281 1 92 VAL HA 1 96 ASP HA 0.000 . 4.000 3.910 3.381 4.227 0.227 2 0 "[ . 1 . 2 . 3]" 1
1282 1 92 VAL HA 1 97 SER HA 0.000 . 3.900 4.226 3.999 4.591 0.691 17 4 "[ - . ** . + 2 . 3]" 1
1283 1 92 VAL HA 1 98 LEU H 0.000 . 3.700 1.960 1.694 2.518 . 0 0 "[ . 1 . 2 . 3]" 1
1284 1 92 VAL HA 1 98 LEU QB 0.000 . 5.500 2.562 2.131 3.362 . 0 0 "[ . 1 . 2 . 3]" 1
1285 1 92 VAL HA 1 98 LEU QD 0.000 . 6.500 3.766 2.943 4.177 . 0 0 "[ . 1 . 2 . 3]" 1
1286 1 92 VAL HA 1 99 ASN HA 0.000 . 3.600 3.348 2.731 3.684 0.084 12 0 "[ . 1 . 2 . 3]" 1
1287 1 92 VAL HB 1 99 ASN QB 0.000 . 5.500 4.043 2.494 5.643 0.143 11 0 "[ . 1 . 2 . 3]" 1
1288 1 92 VAL MG1 1 96 ASP HA 0.000 . 6.500 3.429 1.907 4.477 . 0 0 "[ . 1 . 2 . 3]" 1
1289 1 92 VAL MG1 1 99 ASN H 0.000 . 6.500 5.182 2.678 5.792 . 0 0 "[ . 1 . 2 . 3]" 1
1290 1 92 VAL MG1 1 99 ASN HA 0.000 . 6.000 3.926 2.088 4.467 . 0 0 "[ . 1 . 2 . 3]" 1
1291 1 92 VAL MG1 1 99 ASN QB 0.000 . 6.500 4.488 2.124 5.181 . 0 0 "[ . 1 . 2 . 3]" 1
1292 1 92 VAL MG1 1 99 ASN QD 0.000 . 5.800 4.582 2.933 5.909 0.109 24 0 "[ . 1 . 2 . 3]" 1
1293 1 92 VAL MG2 1 96 ASP HA 0.000 . 4.600 2.912 1.899 4.796 0.196 7 0 "[ . 1 . 2 . 3]" 1
1294 1 92 VAL MG2 1 96 ASP QB 0.000 . 7.500 4.163 2.803 6.240 . 0 0 "[ . 1 . 2 . 3]" 1
1295 1 92 VAL MG2 1 97 SER H 0.000 . 6.500 4.055 2.919 5.571 . 0 0 "[ . 1 . 2 . 3]" 1
1296 1 92 VAL MG2 1 98 LEU H 0.000 . 6.500 3.304 2.762 4.468 . 0 0 "[ . 1 . 2 . 3]" 1
1297 1 92 VAL MG2 1 99 ASN H 0.000 . 4.800 3.802 3.150 4.584 . 0 0 "[ . 1 . 2 . 3]" 1
1298 1 92 VAL MG2 1 99 ASN HA 0.000 . 6.500 3.088 1.944 4.244 . 0 0 "[ . 1 . 2 . 3]" 1
1299 1 92 VAL MG2 1 99 ASN QB 0.000 . 5.800 3.080 2.064 4.210 . 0 0 "[ . 1 . 2 . 3]" 1
1300 1 95 ASN QB 1 98 LEU HG 0.000 . 5.500 3.117 2.078 4.900 . 0 0 "[ . 1 . 2 . 3]" 1
1301 1 95 ASN QB 1 98 LEU QD 0.000 . 5.400 2.374 1.846 3.332 . 0 0 "[ . 1 . 2 . 3]" 1
1302 1 95 ASN QD 1 98 LEU QD 0.000 . 6.500 3.521 2.059 5.067 . 0 0 "[ . 1 . 2 . 3]" 1
1303 1 96 ASP H 1 97 SER H 0.000 . 4.200 2.825 2.657 3.104 . 0 0 "[ . 1 . 2 . 3]" 1
1304 1 96 ASP HA 1 97 SER H 0.000 . 3.600 3.148 2.856 3.479 . 0 0 "[ . 1 . 2 . 3]" 1
1305 1 96 ASP QB 1 97 SER H 0.000 . 5.200 3.568 2.942 3.930 . 0 0 "[ . 1 . 2 . 3]" 1
1306 1 97 SER H 1 97 SER HA 0.000 . 3.100 2.958 2.890 2.989 . 0 0 "[ . 1 . 2 . 3]" 1
1307 1 97 SER H 1 98 LEU H 0.000 . 3.000 2.118 1.525 2.881 . 0 0 "[ . 1 . 2 . 3]" 1
1308 1 97 SER H 1 98 LEU HG 0.000 . 5.500 4.023 2.928 4.846 . 0 0 "[ . 1 . 2 . 3]" 1
1309 1 97 SER H 1 98 LEU QD 0.000 . 6.500 3.411 1.967 4.695 . 0 0 "[ . 1 . 2 . 3]" 1
1310 1 97 SER HA 1 98 LEU H 0.000 . 3.500 3.192 3.035 3.317 . 0 0 "[ . 1 . 2 . 3]" 1
1311 1 97 SER HA 1 99 ASN H 0.000 . 4.900 3.626 2.907 4.071 . 0 0 "[ . 1 . 2 . 3]" 1
1312 1 97 SER QB 1 98 LEU H 0.000 . 5.500 3.703 3.354 4.016 . 0 0 "[ . 1 . 2 . 3]" 1
1313 1 97 SER QB 1 98 LEU QD 0.000 . 7.500 3.591 2.203 5.041 . 0 0 "[ . 1 . 2 . 3]" 1
1314 1 97 SER QB 1 99 ASN H 0.000 . 6.500 4.416 3.971 4.784 . 0 0 "[ . 1 . 2 . 3]" 1
1315 1 98 LEU H 1 98 LEU QB 0.000 . 3.500 2.413 2.211 2.579 . 0 0 "[ . 1 . 2 . 3]" 1
1316 1 98 LEU H 1 98 LEU HG 0.000 . 3.800 3.158 2.254 3.943 0.143 4 0 "[ . 1 . 2 . 3]" 1
1317 1 98 LEU H 1 99 ASN H 0.000 . 4.100 3.375 2.800 3.677 . 0 0 "[ . 1 . 2 . 3]" 1
1318 1 98 LEU H 1 99 ASN QB 0.000 . 4.500 4.669 4.254 4.825 0.325 11 0 "[ . 1 . 2 . 3]" 1
1319 1 98 LEU HA 1 99 ASN H 0.000 . 3.800 2.610 2.398 3.002 . 0 0 "[ . 1 . 2 . 3]" 1
1320 1 98 LEU QB 1 99 ASN H 0.000 . 5.400 3.893 3.724 3.946 . 0 0 "[ . 1 . 2 . 3]" 1
1321 1 98 LEU QD 1 99 ASN H 0.000 . 6.500 4.064 3.631 4.409 . 0 0 "[ . 1 . 2 . 3]" 1
1322 1 99 ASN H 1 99 ASN QB 0.000 . 2.900 2.320 2.100 2.606 . 0 0 "[ . 1 . 2 . 3]" 1
1323 1 99 ASN H 1 100 VAL HB 0.000 . 5.200 4.821 4.547 5.049 . 0 0 "[ . 1 . 2 . 3]" 1
1324 1 99 ASN H 1 100 VAL MG1 0.000 . 6.500 4.588 3.692 6.022 . 0 0 "[ . 1 . 2 . 3]" 1
1325 1 99 ASN H 1 100 VAL MG2 0.000 . 6.500 5.230 3.312 6.014 . 0 0 "[ . 1 . 2 . 3]" 1
1326 1 99 ASN HA 1 100 VAL H 0.000 . 3.300 2.390 2.199 2.643 . 0 0 "[ . 1 . 2 . 3]" 1
1327 1 99 ASN QB 1 100 VAL H 0.000 . 4.900 3.994 3.856 4.046 . 0 0 "[ . 1 . 2 . 3]" 1
1328 1 100 VAL H 1 100 VAL HB 0.000 . 4.300 3.266 2.782 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
1329 1 100 VAL HA 1 101 THR H 0.000 . 2.700 2.356 2.245 2.663 . 0 0 "[ . 1 . 2 . 3]" 1
1330 1 100 VAL HA 1 101 THR HG1 0.000 . 6.500 3.317 3.068 3.895 . 0 0 "[ . 1 . 2 . 3]" 1
1331 1 100 VAL HB 1 101 THR H 0.000 . 3.800 3.882 3.692 4.021 0.221 8 0 "[ . 1 . 2 . 3]" 1
1332 1 100 VAL HB 1 101 THR HG1 0.000 . 6.500 5.027 4.595 5.693 . 0 0 "[ . 1 . 2 . 3]" 1
1333 1 100 VAL MG1 1 101 THR H 0.000 . 4.700 3.056 1.743 3.748 . 0 0 "[ . 1 . 2 . 3]" 1
1334 1 100 VAL MG1 1 101 THR HB 0.000 . 6.500 5.446 4.664 5.933 . 0 0 "[ . 1 . 2 . 3]" 1
1335 1 100 VAL MG1 1 102 LEU QD 0.000 . 7.500 3.638 3.032 5.518 . 0 0 "[ . 1 . 2 . 3]" 1
1336 1 100 VAL MG2 1 101 THR H 0.000 . 3.800 2.438 1.571 3.838 0.038 21 0 "[ . 1 . 2 . 3]" 1
1337 1 100 VAL MG2 1 102 LEU QD 0.000 . 7.500 4.102 2.785 5.871 . 0 0 "[ . 1 . 2 . 3]" 1
1338 1 100 VAL MG2 1 103 ALA MB 0.000 . 7.500 5.215 4.110 6.491 . 0 0 "[ . 1 . 2 . 3]" 1
1339 1 101 THR H 1 101 THR HB 0.000 . 3.900 3.796 3.406 3.879 . 0 0 "[ . 1 . 2 . 3]" 1
1340 1 101 THR H 1 101 THR HG1 0.000 . 4.100 2.492 2.017 3.116 . 0 0 "[ . 1 . 2 . 3]" 1
1341 1 101 THR HA 1 102 LEU H 0.000 . 3.200 2.349 2.229 2.458 . 0 0 "[ . 1 . 2 . 3]" 1
1342 1 101 THR HB 1 102 LEU H 0.000 . 3.700 2.879 2.253 3.745 0.045 4 0 "[ . 1 . 2 . 3]" 1
1343 1 101 THR HB 1 102 LEU QB 0.000 . 5.500 4.790 4.267 5.772 0.272 4 0 "[ . 1 . 2 . 3]" 1
1344 1 101 THR HB 1 102 LEU HG 0.000 . 5.500 5.050 4.220 5.798 0.298 7 0 "[ . 1 . 2 . 3]" 1
1345 1 101 THR HB 1 102 LEU QD 0.000 . 6.500 4.756 3.456 5.273 . 0 0 "[ . 1 . 2 . 3]" 1
1346 1 101 THR HG1 1 102 LEU H 0.000 . 4.600 3.522 2.561 3.880 . 0 0 "[ . 1 . 2 . 3]" 1
1347 1 102 LEU H 1 102 LEU HA 0.000 . 3.100 2.929 2.826 2.972 . 0 0 "[ . 1 . 2 . 3]" 1
1348 1 102 LEU H 1 102 LEU QB 0.000 . 3.300 2.501 2.058 2.862 . 0 0 "[ . 1 . 2 . 3]" 1
1349 1 102 LEU H 1 102 LEU HG 0.000 . 3.700 2.325 1.660 3.866 0.166 1 0 "[ . 1 . 2 . 3]" 1
1350 1 102 LEU HA 1 103 ALA MB 0.000 . 6.500 4.370 4.102 4.610 . 0 0 "[ . 1 . 2 . 3]" 1
1351 1 102 LEU HA 1 104 TYR H 0.000 . 5.000 3.607 3.141 4.238 . 0 0 "[ . 1 . 2 . 3]" 1
1352 1 103 ALA H 1 103 ALA MB 0.000 . 3.600 2.288 2.094 2.459 . 0 0 "[ . 1 . 2 . 3]" 1
1353 1 103 ALA HA 1 104 TYR H 0.000 . 5.000 3.512 3.377 3.619 . 0 0 "[ . 1 . 2 . 3]" 1
1354 1 103 ALA MB 1 104 TYR H 0.000 . 5.500 2.953 2.534 3.223 . 0 0 "[ . 1 . 2 . 3]" 1
1355 1 103 ALA MB 1 104 TYR HA 0.000 . 6.500 3.982 3.905 4.049 . 0 0 "[ . 1 . 2 . 3]" 1
1356 1 103 ALA MB 1 104 TYR QB 0.000 . 6.500 3.929 3.465 4.315 . 0 0 "[ . 1 . 2 . 3]" 1
1357 1 103 ALA MB 1 104 TYR QD 0.000 . 8.500 3.259 2.197 4.901 . 0 0 "[ . 1 . 2 . 3]" 1
1358 1 103 ALA MB 1 104 TYR QE 0.000 . 8.500 3.864 2.686 6.757 . 0 0 "[ . 1 . 2 . 3]" 1
1359 1 104 TYR H 1 104 TYR QB 0.000 . 3.500 2.491 2.394 2.580 . 0 0 "[ . 1 . 2 . 3]" 1
1360 1 104 TYR HA 1 104 TYR QE 0.000 . 6.100 4.494 4.310 4.590 . 0 0 "[ . 1 . 2 . 3]" 1
1361 1 104 TYR HA 1 105 PRO QD 0.000 . 4.600 1.982 1.937 2.036 . 0 0 "[ . 1 . 2 . 3]" 1
1362 1 104 TYR QD 1 106 VAL HA 0.000 . 7.500 6.211 3.666 7.166 . 0 0 "[ . 1 . 2 . 3]" 1
1363 1 105 PRO HA 1 106 VAL H 0.000 . 3.000 2.315 2.245 2.409 . 0 0 "[ . 1 . 2 . 3]" 1
1364 1 105 PRO HA 1 106 VAL HA 0.000 . 5.000 4.420 4.393 4.447 . 0 0 "[ . 1 . 2 . 3]" 1
1365 1 105 PRO HA 1 106 VAL HB 0.000 . 4.600 4.579 4.425 4.723 0.123 1 0 "[ . 1 . 2 . 3]" 1
1366 1 105 PRO HA 1 106 VAL MG1 0.000 . 6.500 4.073 3.887 4.334 . 0 0 "[ . 1 . 2 . 3]" 1
1367 1 105 PRO HA 1 106 VAL MG2 0.000 . 6.500 5.528 5.448 5.580 . 0 0 "[ . 1 . 2 . 3]" 1
1368 1 105 PRO QB 1 106 VAL H 0.000 . 6.500 3.000 2.797 3.129 . 0 0 "[ . 1 . 2 . 3]" 1
1369 1 105 PRO QB 1 108 ALA H 0.000 . 6.500 3.031 2.286 3.808 . 0 0 "[ . 1 . 2 . 3]" 1
1370 1 105 PRO QD 1 108 ALA MB 0.000 . 5.700 2.677 1.937 3.836 . 0 0 "[ . 1 . 2 . 3]" 1
1371 1 106 VAL H 1 106 VAL HB 0.000 . 3.500 2.586 2.346 2.762 . 0 0 "[ . 1 . 2 . 3]" 1
1372 1 106 VAL H 1 106 VAL MG1 0.000 . 4.500 2.168 1.927 2.421 . 0 0 "[ . 1 . 2 . 3]" 1
1373 1 106 VAL H 1 107 TYR H 0.000 . 4.000 2.509 2.349 2.657 . 0 0 "[ . 1 . 2 . 3]" 1
1374 1 106 VAL HA 1 107 TYR H 0.000 . 4.500 3.507 3.435 3.556 . 0 0 "[ . 1 . 2 . 3]" 1
1375 1 106 VAL HA 1 108 ALA H 0.000 . 4.500 4.203 3.709 4.714 0.214 24 0 "[ . 1 . 2 . 3]" 1
1376 1 106 VAL MG1 1 107 TYR H 0.000 . 4.100 2.030 1.768 2.393 . 0 0 "[ . 1 . 2 . 3]" 1
1377 1 106 VAL MG1 1 107 TYR HA 0.000 . 6.500 3.611 3.265 3.863 . 0 0 "[ . 1 . 2 . 3]" 1
1378 1 106 VAL MG1 1 107 TYR QB 0.000 . 6.500 2.856 2.506 3.086 . 0 0 "[ . 1 . 2 . 3]" 1
1379 1 106 VAL MG1 1 107 TYR QD 0.000 . 8.500 2.233 1.983 4.339 . 0 0 "[ . 1 . 2 . 3]" 1
1380 1 106 VAL MG1 1 107 TYR QE 0.000 . 8.500 3.041 2.322 6.110 . 0 0 "[ . 1 . 2 . 3]" 1
1381 1 106 VAL MG1 1 108 ALA H 0.000 . 6.500 4.491 4.182 4.852 . 0 0 "[ . 1 . 2 . 3]" 1
1382 1 106 VAL MG2 1 107 TYR H 0.000 . 6.500 3.797 3.569 4.044 . 0 0 "[ . 1 . 2 . 3]" 1
1383 1 106 VAL MG2 1 107 TYR HA 0.000 . 6.500 3.982 3.718 4.308 . 0 0 "[ . 1 . 2 . 3]" 1
1384 1 106 VAL MG2 1 107 TYR QB 0.000 . 6.500 4.408 3.339 4.923 . 0 0 "[ . 1 . 2 . 3]" 1
1385 1 106 VAL MG2 1 107 TYR QD 0.000 . 8.500 3.565 2.277 4.477 . 0 0 "[ . 1 . 2 . 3]" 1
1386 1 106 VAL MG2 1 107 TYR QE 0.000 . 8.500 3.539 2.792 6.321 . 0 0 "[ . 1 . 2 . 3]" 1
1387 1 107 TYR H 1 107 TYR QB 0.000 . 3.000 2.464 2.341 2.602 . 0 0 "[ . 1 . 2 . 3]" 1
1388 1 107 TYR H 1 108 ALA H 0.000 . 3.100 3.026 2.635 3.268 0.168 24 0 "[ . 1 . 2 . 3]" 1
1389 1 107 TYR H 1 108 ALA HA 0.000 . 5.500 4.533 4.345 4.788 . 0 0 "[ . 1 . 2 . 3]" 1
1390 1 107 TYR H 1 108 ALA MB 0.000 . 6.500 4.255 3.905 4.556 . 0 0 "[ . 1 . 2 . 3]" 1
1391 1 107 TYR HA 1 107 TYR QE 0.000 . 6.100 4.310 4.236 4.422 . 0 0 "[ . 1 . 2 . 3]" 1
1392 1 107 TYR HA 1 108 ALA H 0.000 . 3.400 2.738 2.538 2.996 . 0 0 "[ . 1 . 2 . 3]" 1
1393 1 107 TYR HA 1 108 ALA MB 0.000 . 6.500 4.454 4.261 4.626 . 0 0 "[ . 1 . 2 . 3]" 1
1394 1 107 TYR QB 1 108 ALA H 0.000 . 4.200 3.875 3.744 4.051 . 0 0 "[ . 1 . 2 . 3]" 1
1395 1 107 TYR QD 1 108 ALA H 0.000 . 7.500 4.764 4.473 4.945 . 0 0 "[ . 1 . 2 . 3]" 1
1396 1 108 ALA H 1 108 ALA MB 0.000 . 3.300 2.152 2.033 2.283 . 0 0 "[ . 1 . 2 . 3]" 1
1397 1 108 ALA HA 1 109 GLN H 0.000 . 4.600 2.576 2.183 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
1398 1 108 ALA MB 1 109 GLN H 0.000 . 6.500 2.977 1.803 3.584 . 0 0 "[ . 1 . 2 . 3]" 1
1399 1 110 GLN HA 1 110 GLN QB 0.000 . 2.400 2.385 2.204 2.431 0.031 3 0 "[ . 1 . 2 . 3]" 1
1400 1 110 GLN HA 1 110 GLN QG 0.000 . 3.700 2.482 2.218 3.312 . 0 0 "[ . 1 . 2 . 3]" 1
1401 1 110 GLN HA 1 110 GLN QE 0.000 . 5.500 4.142 2.495 5.358 . 0 0 "[ . 1 . 2 . 3]" 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 86
_Distance_constraint_stats_list.Viol_count 562
_Distance_constraint_stats_list.Viol_total 1415.810
_Distance_constraint_stats_list.Viol_max 0.399
_Distance_constraint_stats_list.Viol_rms 0.0470
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0183
_Distance_constraint_stats_list.Viol_average_violations_only 0.0840
_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 4 LEU 1.366 0.158 6 0 "[ . 1 . 2 . 3]"
1 5 PRO 0.794 0.184 11 0 "[ . 1 . 2 . 3]"
1 6 HIS 1.366 0.158 6 0 "[ . 1 . 2 . 3]"
1 7 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 8 ASP 1.164 0.151 12 0 "[ . 1 . 2 . 3]"
1 9 GLU 0.109 0.051 12 0 "[ . 1 . 2 . 3]"
1 11 THR 4.366 0.219 15 0 "[ . 1 . 2 . 3]"
1 12 TRP 3.049 0.184 11 0 "[ . 1 . 2 . 3]"
1 14 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 19 ARG 0.241 0.145 24 0 "[ . 1 . 2 . 3]"
1 20 ASN 2.878 0.137 27 0 "[ . 1 . 2 . 3]"
1 21 LYS 0.002 0.002 20 0 "[ . 1 . 2 . 3]"
1 22 ALA 0.897 0.123 15 0 "[ . 1 . 2 . 3]"
1 23 GLU 2.278 0.228 27 0 "[ . 1 . 2 . 3]"
1 24 ASN 3.210 0.137 27 0 "[ . 1 . 2 . 3]"
1 25 LEU 0.002 0.002 20 0 "[ . 1 . 2 . 3]"
1 26 LEU 0.897 0.123 15 0 "[ . 1 . 2 . 3]"
1 27 ARG 2.368 0.228 27 0 "[ . 1 . 2 . 3]"
1 32 GLY 0.413 0.101 7 0 "[ . 1 . 2 . 3]"
1 34 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 35 LEU 0.326 0.104 15 0 "[ . 1 . 2 . 3]"
1 36 VAL 2.146 0.130 12 0 "[ . 1 . 2 . 3]"
1 37 ARG 0.427 0.109 29 0 "[ . 1 . 2 . 3]"
1 45 TYR 1.844 0.151 9 0 "[ . 1 . 2 . 3]"
1 46 ALA 0.427 0.109 29 0 "[ . 1 . 2 . 3]"
1 47 CYS 0.358 0.099 17 0 "[ . 1 . 2 . 3]"
1 48 SER 0.326 0.104 15 0 "[ . 1 . 2 . 3]"
1 49 VAL 0.092 0.069 29 0 "[ . 1 . 2 . 3]"
1 50 VAL 0.413 0.101 7 0 "[ . 1 . 2 . 3]"
1 51 VAL 5.518 0.216 25 0 "[ . 1 . 2 . 3]"
1 53 GLY 1.792 0.164 9 0 "[ . 1 . 2 . 3]"
1 54 GLU 3.726 0.216 25 0 "[ . 1 . 2 . 3]"
1 56 LYS 0.092 0.069 29 0 "[ . 1 . 2 . 3]"
1 58 CYS 0.358 0.099 17 0 "[ . 1 . 2 . 3]"
1 60 ILE 1.844 0.151 9 0 "[ . 1 . 2 . 3]"
1 61 ASN 8.516 0.364 29 0 "[ . 1 . 2 . 3]"
1 67 TYR 8.516 0.364 29 0 "[ . 1 . 2 . 3]"
1 78 SER 0.298 0.123 3 0 "[ . 1 . 2 . 3]"
1 79 LEU 0.001 0.001 22 0 "[ . 1 . 2 . 3]"
1 80 LYS 0.297 0.068 9 0 "[ . 1 . 2 . 3]"
1 81 GLU 0.343 0.091 18 0 "[ . 1 . 2 . 3]"
1 82 LEU 0.470 0.123 3 0 "[ . 1 . 2 . 3]"
1 83 VAL 0.750 0.117 13 0 "[ . 1 . 2 . 3]"
1 84 LEU 0.479 0.082 6 0 "[ . 1 . 2 . 3]"
1 85 HIS 0.343 0.091 18 0 "[ . 1 . 2 . 3]"
1 86 TYR 3.500 0.167 25 0 "[ . 1 . 2 . 3]"
1 87 GLN 0.931 0.117 13 0 "[ . 1 . 2 . 3]"
1 91 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 92 VAL 8.518 0.399 20 0 "[ . 1 . 2 . 3]"
1 97 SER 0.400 0.093 7 0 "[ . 1 . 2 . 3]"
1 98 LEU 8.518 0.399 20 0 "[ . 1 . 2 . 3]"
1 99 ASN 0.400 0.093 7 0 "[ . 1 . 2 . 3]"
1 100 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 101 THR 0.244 0.113 1 0 "[ . 1 . 2 . 3]"
1 102 LEU 3.328 0.167 25 0 "[ . 1 . 2 . 3]"
1 103 ALA 0.244 0.113 1 0 "[ . 1 . 2 . 3]"
1 104 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 106 VAL 3.202 0.219 15 0 "[ . 1 . 2 . 3]"
1 107 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
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 4 LEU O 1 6 HIS H 2.300 . 2.500 2.525 2.298 2.658 0.158 6 0 "[ . 1 . 2 . 3]" 2
2 1 4 LEU O 1 6 HIS N 3.300 2.500 3.500 2.814 2.622 3.008 . 0 0 "[ . 1 . 2 . 3]" 2
3 1 4 LEU O 1 7 HIS H 2.300 . 2.500 2.097 1.771 2.468 . 0 0 "[ . 1 . 2 . 3]" 2
4 1 4 LEU O 1 7 HIS N 3.300 2.500 3.500 3.055 2.722 3.447 . 0 0 "[ . 1 . 2 . 3]" 2
5 1 8 ASP O 1 11 THR H 2.300 . 2.500 2.510 2.287 2.651 0.151 12 0 "[ . 1 . 2 . 3]" 2
6 1 8 ASP O 1 11 THR N 3.300 2.500 3.500 3.353 3.211 3.566 0.066 12 0 "[ . 1 . 2 . 3]" 2
7 1 9 GLU O 1 12 TRP H 2.300 . 2.500 2.348 2.058 2.551 0.051 12 0 "[ . 1 . 2 . 3]" 2
8 1 9 GLU O 1 12 TRP N 3.300 2.500 3.500 3.149 2.910 3.411 . 0 0 "[ . 1 . 2 . 3]" 2
9 1 5 PRO O 1 12 TRP HE1 2.300 . 2.500 2.382 1.959 2.684 0.184 11 0 "[ . 1 . 2 . 3]" 2
10 1 5 PRO O 1 12 TRP NE1 3.300 2.500 3.500 3.263 2.846 3.493 . 0 0 "[ . 1 . 2 . 3]" 2
11 1 14 VAL H 1 36 VAL O 2.300 . 2.500 2.085 1.694 2.343 . 0 0 "[ . 1 . 2 . 3]" 2
12 1 14 VAL N 1 36 VAL O 3.300 2.500 3.500 3.023 2.666 3.278 . 0 0 "[ . 1 . 2 . 3]" 2
13 1 19 ARG O 1 23 GLU H 2.300 . 2.500 2.293 1.985 2.645 0.145 24 0 "[ . 1 . 2 . 3]" 2
14 1 19 ARG O 1 23 GLU N 3.300 2.500 3.500 3.160 2.867 3.528 0.028 24 0 "[ . 1 . 2 . 3]" 2
15 1 20 ASN O 1 24 ASN H 2.300 . 2.500 2.569 2.386 2.637 0.137 27 0 "[ . 1 . 2 . 3]" 2
16 1 20 ASN O 1 24 ASN N 3.300 2.500 3.500 3.492 3.325 3.590 0.090 9 0 "[ . 1 . 2 . 3]" 2
17 1 21 LYS O 1 25 LEU H 2.300 . 2.500 1.961 1.530 2.247 . 0 0 "[ . 1 . 2 . 3]" 2
18 1 21 LYS O 1 25 LEU N 3.300 2.500 3.500 2.906 2.498 3.180 0.002 20 0 "[ . 1 . 2 . 3]" 2
19 1 22 ALA O 1 26 LEU H 2.300 . 2.500 1.655 1.476 1.839 0.024 15 0 "[ . 1 . 2 . 3]" 2
20 1 22 ALA O 1 26 LEU N 3.300 2.500 3.500 2.509 2.377 2.664 0.123 15 0 "[ . 1 . 2 . 3]" 2
21 1 23 GLU O 1 27 ARG H 2.300 . 2.500 1.854 1.609 2.169 . 0 0 "[ . 1 . 2 . 3]" 2
22 1 23 GLU O 1 27 ARG N 3.300 2.500 3.500 2.447 2.272 2.619 0.228 27 0 "[ . 1 . 2 . 3]" 2
23 1 24 ASN O 1 27 ARG H 2.300 . 2.500 2.369 2.040 2.601 0.101 1 0 "[ . 1 . 2 . 3]" 2
24 1 24 ASN O 1 27 ARG N 3.300 2.500 3.500 3.115 2.890 3.296 . 0 0 "[ . 1 . 2 . 3]" 2
25 1 32 GLY H 1 50 VAL O 2.300 . 2.500 2.416 2.230 2.601 0.101 7 0 "[ . 1 . 2 . 3]" 2
26 1 32 GLY N 1 50 VAL O 3.300 2.500 3.500 3.306 3.132 3.481 . 0 0 "[ . 1 . 2 . 3]" 2
27 1 34 PHE H 1 104 TYR O 2.300 . 2.500 2.139 1.628 2.471 . 0 0 "[ . 1 . 2 . 3]" 2
28 1 34 PHE N 1 104 TYR O 3.300 2.500 3.500 3.055 2.531 3.342 . 0 0 "[ . 1 . 2 . 3]" 2
29 1 35 LEU H 1 48 SER O 2.300 . 2.500 1.820 1.470 2.027 0.030 15 0 "[ . 1 . 2 . 3]" 2
30 1 35 LEU N 1 48 SER O 3.300 2.500 3.500 2.758 2.396 2.968 0.104 15 0 "[ . 1 . 2 . 3]" 2
31 1 12 TRP O 1 36 VAL H 2.300 . 2.500 1.605 1.407 2.414 0.093 17 0 "[ . 1 . 2 . 3]" 2
32 1 12 TRP O 1 36 VAL N 3.300 2.500 3.500 2.493 2.370 2.942 0.130 12 0 "[ . 1 . 2 . 3]" 2
33 1 37 ARG H 1 46 ALA O 2.300 . 2.500 1.857 1.479 2.144 0.021 11 0 "[ . 1 . 2 . 3]" 2
34 1 37 ARG N 1 46 ALA O 3.300 2.500 3.500 2.803 2.391 3.115 0.109 29 0 "[ . 1 . 2 . 3]" 2
35 1 45 TYR H 1 60 ILE O 2.300 . 2.500 2.479 2.000 2.651 0.151 9 0 "[ . 1 . 2 . 3]" 2
36 1 45 TYR N 1 60 ILE O 3.300 2.500 3.500 3.151 2.679 3.409 . 0 0 "[ . 1 . 2 . 3]" 2
37 1 37 ARG O 1 46 ALA H 2.300 . 2.500 1.910 1.564 2.485 . 0 0 "[ . 1 . 2 . 3]" 2
38 1 37 ARG O 1 46 ALA N 3.300 2.500 3.500 2.805 2.432 3.443 0.068 12 0 "[ . 1 . 2 . 3]" 2
39 1 47 CYS H 1 58 CYS O 2.300 . 2.500 2.022 1.596 2.416 . 0 0 "[ . 1 . 2 . 3]" 2
40 1 47 CYS N 1 58 CYS O 3.300 2.500 3.500 2.682 2.421 2.920 0.079 7 0 "[ . 1 . 2 . 3]" 2
41 1 49 VAL H 1 56 LYS O 2.300 . 2.500 2.224 1.816 2.514 0.014 3 0 "[ . 1 . 2 . 3]" 2
42 1 49 VAL N 1 56 LYS O 3.300 2.500 3.500 3.061 2.686 3.320 . 0 0 "[ . 1 . 2 . 3]" 2
43 1 51 VAL H 1 54 GLU O 2.300 . 2.500 2.011 1.704 2.306 . 0 0 "[ . 1 . 2 . 3]" 2
44 1 51 VAL N 1 54 GLU O 3.300 2.500 3.500 2.917 2.602 3.157 . 0 0 "[ . 1 . 2 . 3]" 2
45 1 51 VAL O 1 53 GLY H 2.300 . 2.500 2.043 1.460 2.524 0.040 9 0 "[ . 1 . 2 . 3]" 2
46 1 51 VAL O 1 53 GLY N 3.300 2.500 3.500 2.463 2.336 2.643 0.164 9 0 "[ . 1 . 2 . 3]" 2
47 1 51 VAL O 1 54 GLU H 2.300 . 2.500 2.521 1.445 2.716 0.216 25 0 "[ . 1 . 2 . 3]" 2
48 1 51 VAL O 1 54 GLU N 3.300 2.500 3.500 3.028 2.415 3.319 0.085 17 0 "[ . 1 . 2 . 3]" 2
49 1 49 VAL O 1 56 LYS H 2.300 . 2.500 1.983 1.571 2.326 . 0 0 "[ . 1 . 2 . 3]" 2
50 1 49 VAL O 1 56 LYS N 3.300 2.500 3.500 2.910 2.431 3.267 0.069 29 0 "[ . 1 . 2 . 3]" 2
51 1 47 CYS O 1 58 CYS H 2.300 . 2.500 2.142 1.618 2.523 0.023 20 0 "[ . 1 . 2 . 3]" 2
52 1 47 CYS O 1 58 CYS N 3.300 2.500 3.500 2.726 2.401 3.037 0.099 17 0 "[ . 1 . 2 . 3]" 2
53 1 45 TYR O 1 60 ILE H 2.300 . 2.500 1.749 1.521 2.012 . 0 0 "[ . 1 . 2 . 3]" 2
54 1 45 TYR O 1 60 ILE N 3.300 2.500 3.500 2.570 2.378 2.828 0.122 6 0 "[ . 1 . 2 . 3]" 2
55 1 61 ASN H 1 67 TYR O 2.300 . 2.500 2.542 2.014 2.864 0.364 29 0 "[ . 1 . 2 . 3]" 2
56 1 61 ASN N 1 67 TYR O 3.300 2.500 3.500 3.254 2.356 3.633 0.144 17 0 "[ . 1 . 2 . 3]" 2
57 1 61 ASN O 1 67 TYR H 2.300 . 2.500 2.592 2.096 2.802 0.302 12 0 "[ . 1 . 2 . 3]" 2
58 1 61 ASN O 1 67 TYR N 3.300 2.500 3.500 2.610 2.308 3.132 0.192 25 0 "[ . 1 . 2 . 3]" 2
59 1 78 SER O 1 82 LEU H 2.300 . 2.500 2.319 1.742 2.623 0.123 3 0 "[ . 1 . 2 . 3]" 2
60 1 78 SER O 1 82 LEU N 3.300 2.500 3.500 3.196 2.657 3.523 0.023 3 0 "[ . 1 . 2 . 3]" 2
61 1 79 LEU O 1 83 VAL H 2.300 . 2.500 2.209 1.770 2.501 0.001 22 0 "[ . 1 . 2 . 3]" 2
62 1 79 LEU O 1 83 VAL N 3.300 2.500 3.500 3.137 2.747 3.397 . 0 0 "[ . 1 . 2 . 3]" 2
63 1 80 LYS O 1 84 LEU H 2.300 . 2.500 2.229 1.711 2.568 0.068 9 0 "[ . 1 . 2 . 3]" 2
64 1 80 LYS O 1 84 LEU N 3.300 2.500 3.500 3.182 2.672 3.538 0.038 9 0 "[ . 1 . 2 . 3]" 2
65 1 81 GLU O 1 85 HIS H 2.300 . 2.500 1.768 1.461 2.078 0.039 18 0 "[ . 1 . 2 . 3]" 2
66 1 81 GLU O 1 85 HIS N 3.300 2.500 3.500 2.718 2.409 3.040 0.091 18 0 "[ . 1 . 2 . 3]" 2
67 1 82 LEU O 1 86 TYR H 2.300 . 2.500 2.195 1.741 2.589 0.089 3 0 "[ . 1 . 2 . 3]" 2
68 1 82 LEU O 1 86 TYR N 3.300 2.500 3.500 3.136 2.647 3.523 0.023 3 0 "[ . 1 . 2 . 3]" 2
69 1 83 VAL O 1 87 GLN H 2.300 . 2.500 2.453 2.201 2.617 0.117 13 0 "[ . 1 . 2 . 3]" 2
70 1 83 VAL O 1 87 GLN N 3.300 2.500 3.500 3.229 3.004 3.389 . 0 0 "[ . 1 . 2 . 3]" 2
71 1 84 LEU O 1 87 GLN H 2.300 . 2.500 2.394 2.174 2.582 0.082 6 0 "[ . 1 . 2 . 3]" 2
72 1 84 LEU O 1 87 GLN N 3.300 2.500 3.500 3.104 2.882 3.420 . 0 0 "[ . 1 . 2 . 3]" 2
73 1 91 LEU H 1 100 VAL O 2.300 . 2.500 2.013 1.878 2.225 . 0 0 "[ . 1 . 2 . 3]" 2
74 1 91 LEU N 1 100 VAL O 3.300 2.500 3.500 2.984 2.825 3.207 . 0 0 "[ . 1 . 2 . 3]" 2
75 1 92 VAL O 1 98 LEU H 2.300 . 2.500 2.654 2.009 2.899 0.399 20 0 "[ . 1 . 2 . 3]" 2
76 1 92 VAL O 1 98 LEU N 3.300 2.500 3.500 3.565 2.858 3.851 0.351 20 0 "[ . 1 . 2 . 3]" 2
77 1 97 SER O 1 99 ASN H 2.300 . 2.500 2.369 1.693 2.593 0.093 7 0 "[ . 1 . 2 . 3]" 2
78 1 97 SER O 1 99 ASN N 3.300 2.500 3.500 3.137 2.553 3.346 . 0 0 "[ . 1 . 2 . 3]" 2
79 1 86 TYR O 1 102 LEU H 2.300 . 2.500 2.586 2.426 2.667 0.167 25 0 "[ . 1 . 2 . 3]" 2
80 1 86 TYR O 1 102 LEU N 3.300 2.500 3.500 3.491 3.320 3.600 0.100 7 0 "[ . 1 . 2 . 3]" 2
81 1 101 THR O 1 103 ALA H 2.300 . 2.500 1.948 1.683 2.589 0.089 23 0 "[ . 1 . 2 . 3]" 2
82 1 101 THR O 1 103 ALA N 3.300 2.500 3.500 2.724 2.387 3.307 0.113 1 0 "[ . 1 . 2 . 3]" 2
83 1 11 THR O 1 106 VAL H 2.300 . 2.500 2.591 2.028 2.719 0.219 15 0 "[ . 1 . 2 . 3]" 2
84 1 11 THR O 1 106 VAL N 3.300 2.500 3.500 2.946 2.654 3.082 . 0 0 "[ . 1 . 2 . 3]" 2
85 1 11 THR O 1 107 TYR H 2.300 . 2.500 1.778 1.577 2.003 . 0 0 "[ . 1 . 2 . 3]" 2
86 1 11 THR O 1 107 TYR N 3.300 2.500 3.500 2.716 2.505 2.932 . 0 0 "[ . 1 . 2 . 3]" 2
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