NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
459030 |
2kvs   |
16794 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kvs
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 1078
_Distance_constraint_stats_list.Viol_count 174
_Distance_constraint_stats_list.Viol_total 1353.609
_Distance_constraint_stats_list.Viol_max 3.394
_Distance_constraint_stats_list.Viol_rms 0.0568
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0031
_Distance_constraint_stats_list.Viol_average_violations_only 0.3890
_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 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ASP 0.125 0.081 9 0 "[ . 1 . 2]"
1 5 PRO 0.045 0.045 9 0 "[ . 1 . 2]"
1 6 MET 0.191 0.110 13 0 "[ . 1 . 2]"
1 7 THR 0.918 0.399 14 0 "[ . 1 . 2]"
1 8 PHE 9.554 0.963 2 3 "[ + . -* . 2]"
1 9 TYR 6.353 0.963 2 2 "[ + . - . 2]"
1 10 ASN 0.220 0.110 13 0 "[ . 1 . 2]"
1 11 PHE 0.140 0.140 6 0 "[ . 1 . 2]"
1 12 ILE 1.291 0.208 19 0 "[ . 1 . 2]"
1 13 MET 0.223 0.167 14 0 "[ . 1 . 2]"
1 14 GLY 0.068 0.068 16 0 "[ . 1 . 2]"
1 15 PHE 0.859 0.479 3 0 "[ . 1 . 2]"
1 16 GLN 0.058 0.036 17 0 "[ . 1 . 2]"
1 17 ASN 0.068 0.068 16 0 "[ . 1 . 2]"
1 18 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 THR 0.479 0.479 3 0 "[ . 1 . 2]"
1 21 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 PHE 15.182 2.202 5 7 "[ +* *1 * *.* *]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LEU 3.970 0.871 5 3 "[ + *1 - . 2]"
1 26 ALA 1.698 0.381 3 0 "[ . 1 . 2]"
1 27 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 HIS 1.832 0.947 19 2 "[ -. 1 . +2]"
1 29 VAL 4.107 0.947 19 3 "[ * -. 1 . +2]"
1 30 SER 0.069 0.069 2 0 "[ . 1 . 2]"
1 31 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ASP 2.076 0.877 2 1 "[ + . 1 . 2]"
1 33 LYS 0.914 0.549 10 1 "[ . + . 2]"
1 34 ALA 0.304 0.304 10 0 "[ . 1 . 2]"
1 35 PHE 4.199 0.802 19 4 "[ . *- . +*]"
1 36 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ARG 3.419 0.802 19 3 "[ . -1 . +*]"
1 38 LEU 0.347 0.154 19 0 "[ . 1 . 2]"
1 39 GLU 4.266 1.195 16 2 "[ - . 1 .+ 2]"
1 40 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ARG 0.530 0.251 20 0 "[ . 1 . 2]"
1 42 HIS 18.700 3.394 14 10 "[ * *.** *** +*- 2]"
1 43 GLN 0.151 0.126 13 0 "[ . 1 . 2]"
1 44 VAL 0.142 0.077 15 0 "[ . 1 . 2]"
1 45 ILE 3.094 1.195 16 2 "[ - . 1 .+ 2]"
1 46 ARG 0.085 0.085 12 0 "[ . 1 . 2]"
1 47 ALA 0.126 0.126 13 0 "[ . 1 . 2]"
1 48 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 VAL 0.439 0.173 3 0 "[ . 1 . 2]"
1 50 MET 0.279 0.156 1 0 "[ . 1 . 2]"
1 51 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 TYR 3.595 0.871 5 2 "[ + 1 - . 2]"
1 54 THR 0.106 0.106 8 0 "[ . 1 . 2]"
1 55 ASP 0.513 0.407 13 0 "[ . 1 . 2]"
1 56 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 GLN 15.087 2.202 5 7 "[ +* *1 * *.* *]"
1 58 LEU 1.006 0.407 13 0 "[ . 1 . 2]"
1 59 ILE 0.944 0.662 12 1 "[ . 1 + . 2]"
1 60 GLU 1.091 0.296 16 0 "[ . 1 . 2]"
1 61 THR 1.426 0.749 9 1 "[ . +1 . 2]"
1 62 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ASN 1.756 0.662 12 1 "[ . 1 + . 2]"
1 64 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ALA 17.641 3.394 14 10 "[ * *.** *** +*- 2]"
1 66 ILE 1.278 0.561 11 1 "[ . 1+ . 2]"
1 67 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 TYR 1.169 0.580 13 1 "[ . 1 + . 2]"
1 70 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ALA 1.168 0.814 5 1 "[ + 1 . 2]"
1 72 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 LEU 0.866 0.580 13 1 "[ . 1 + . 2]"
1 74 GLU 1.168 0.814 5 1 "[ + 1 . 2]"
1 75 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 GLY QA 1 4 ASP H 3.500 . 4.550 2.401 2.204 2.745 . 0 0 "[ . 1 . 2]" 1
2 1 4 ASP HA 1 5 PRO HD2 5.000 . 6.500 2.400 1.981 2.924 . 0 0 "[ . 1 . 2]" 1
3 1 4 ASP HA 1 5 PRO HD3 5.000 . 6.500 2.409 1.755 3.843 0.045 9 0 "[ . 1 . 2]" 1
4 1 4 ASP HA 1 6 MET H 3.500 . 4.550 3.641 3.105 4.631 0.081 9 0 "[ . 1 . 2]" 1
5 1 4 ASP HB2 1 5 PRO HD2 5.000 . 6.500 4.548 3.855 5.040 . 0 0 "[ . 1 . 2]" 1
6 1 4 ASP HB2 1 5 PRO HD3 5.000 . 6.500 4.657 4.210 5.225 . 0 0 "[ . 1 . 2]" 1
7 1 4 ASP HB3 1 5 PRO HD2 5.000 . 6.500 4.723 4.034 5.155 . 0 0 "[ . 1 . 2]" 1
8 1 4 ASP HB3 1 5 PRO HD3 5.000 . 6.500 4.856 4.582 5.192 . 0 0 "[ . 1 . 2]" 1
9 1 5 PRO HA 1 6 MET H 3.500 . 4.550 3.418 2.935 3.615 . 0 0 "[ . 1 . 2]" 1
10 1 5 PRO HB2 1 6 MET H 5.000 . 6.500 3.478 2.093 4.247 . 0 0 "[ . 1 . 2]" 1
11 1 5 PRO HB3 1 6 MET H 5.000 . 6.500 4.261 3.599 4.720 . 0 0 "[ . 1 . 2]" 1
12 1 5 PRO QG 1 6 MET H 5.000 . 6.500 3.123 1.900 4.672 . 0 0 "[ . 1 . 2]" 1
13 1 5 PRO QG 1 7 THR H 5.000 . 6.500 4.353 2.213 6.461 . 0 0 "[ . 1 . 2]" 1
14 1 6 MET H 1 7 THR H 5.000 . 6.500 2.919 2.290 4.055 . 0 0 "[ . 1 . 2]" 1
15 1 6 MET HA 1 7 THR H 5.000 . 6.500 3.051 2.314 3.592 . 0 0 "[ . 1 . 2]" 1
16 1 6 MET HA 1 8 PHE H 5.000 . 6.500 4.026 3.265 4.749 . 0 0 "[ . 1 . 2]" 1
17 1 6 MET HA 1 10 ASN H 5.000 . 6.500 4.648 3.993 6.221 . 0 0 "[ . 1 . 2]" 1
18 1 6 MET QB 1 7 THR H 5.000 . 6.500 3.431 1.912 3.932 . 0 0 "[ . 1 . 2]" 1
19 1 6 MET HB2 1 10 ASN HB2 5.000 . 6.500 4.302 2.670 5.717 . 0 0 "[ . 1 . 2]" 1
20 1 6 MET HB2 1 10 ASN HB3 5.000 . 6.500 5.355 3.340 6.610 0.110 13 0 "[ . 1 . 2]" 1
21 1 6 MET HB3 1 10 ASN HB2 5.000 . 6.500 4.300 2.782 5.778 . 0 0 "[ . 1 . 2]" 1
22 1 6 MET HB3 1 10 ASN HB3 5.000 . 6.500 5.286 3.389 6.367 . 0 0 "[ . 1 . 2]" 1
23 1 6 MET QG 1 7 THR H 5.000 . 6.500 4.434 3.826 4.791 . 0 0 "[ . 1 . 2]" 1
24 1 6 MET QG 1 9 TYR QD 5.000 . 6.500 4.512 3.014 5.961 . 0 0 "[ . 1 . 2]" 1
25 1 7 THR H 1 8 PHE H 2.900 . 3.770 3.099 2.669 4.169 0.399 14 0 "[ . 1 . 2]" 1
26 1 7 THR H 1 10 ASN H 5.000 . 6.500 4.709 3.628 5.188 . 0 0 "[ . 1 . 2]" 1
27 1 7 THR H 1 10 ASN HB2 5.000 . 6.500 5.198 3.336 6.351 . 0 0 "[ . 1 . 2]" 1
28 1 7 THR H 1 10 ASN HB3 5.000 . 6.500 5.083 2.887 6.095 . 0 0 "[ . 1 . 2]" 1
29 1 7 THR HA 1 8 PHE H 3.500 . 4.550 3.535 3.061 3.592 . 0 0 "[ . 1 . 2]" 1
30 1 7 THR HA 1 9 TYR H 5.000 . 6.500 4.635 4.187 5.045 . 0 0 "[ . 1 . 2]" 1
31 1 7 THR HA 1 10 ASN HB2 5.000 . 6.500 3.665 2.866 4.439 . 0 0 "[ . 1 . 2]" 1
32 1 7 THR HA 1 10 ASN HB3 5.000 . 6.500 2.907 2.152 3.724 . 0 0 "[ . 1 . 2]" 1
33 1 7 THR HB 1 8 PHE H 5.000 . 6.500 3.452 2.670 4.401 . 0 0 "[ . 1 . 2]" 1
34 1 7 THR MG 1 8 PHE H 5.000 . 6.500 3.861 3.657 4.400 . 0 0 "[ . 1 . 2]" 1
35 1 7 THR MG 1 10 ASN HB2 5.000 . 6.500 5.153 4.181 5.889 . 0 0 "[ . 1 . 2]" 1
36 1 7 THR MG 1 10 ASN HB3 5.000 . 6.500 4.623 3.842 5.462 . 0 0 "[ . 1 . 2]" 1
37 1 7 THR MG 1 10 ASN QD 5.000 . 6.500 5.133 3.375 6.609 0.109 5 0 "[ . 1 . 2]" 1
38 1 8 PHE H 1 9 TYR H 5.000 . 6.500 2.842 2.334 3.357 . 0 0 "[ . 1 . 2]" 1
39 1 8 PHE H 1 10 ASN H 5.000 . 6.500 4.229 2.800 4.676 . 0 0 "[ . 1 . 2]" 1
40 1 8 PHE HA 1 9 TYR H 5.000 . 6.500 3.560 3.524 3.594 . 0 0 "[ . 1 . 2]" 1
41 1 8 PHE HA 1 11 PHE H 5.000 . 6.500 3.667 3.125 3.988 . 0 0 "[ . 1 . 2]" 1
42 1 8 PHE HA 1 11 PHE QB 3.500 . 4.550 3.009 2.192 3.749 . 0 0 "[ . 1 . 2]" 1
43 1 8 PHE HA 1 11 PHE QD 5.000 . 6.500 4.595 3.765 5.657 . 0 0 "[ . 1 . 2]" 1
44 1 8 PHE HA 1 69 TYR QD 5.000 . 6.500 4.558 3.522 5.799 . 0 0 "[ . 1 . 2]" 1
45 1 8 PHE HA 1 69 TYR QE 5.000 . 6.500 4.007 2.470 5.985 . 0 0 "[ . 1 . 2]" 1
46 1 8 PHE QB 1 9 TYR H 5.000 . 6.500 2.479 2.190 2.751 . 0 0 "[ . 1 . 2]" 1
47 1 8 PHE QB 1 45 ILE MD 5.000 . 6.500 3.209 2.027 4.684 . 0 0 "[ . 1 . 2]" 1
48 1 8 PHE QB 1 69 TYR QD 5.000 . 6.500 5.146 4.002 6.376 . 0 0 "[ . 1 . 2]" 1
49 1 8 PHE QD 1 9 TYR H 5.000 . 6.500 3.332 2.807 3.869 . 0 0 "[ . 1 . 2]" 1
50 1 8 PHE QD 1 9 TYR HB2 5.000 . 6.500 3.791 3.227 4.747 . 0 0 "[ . 1 . 2]" 1
51 1 8 PHE QD 1 9 TYR HB3 5.000 . 6.500 5.023 4.407 5.801 . 0 0 "[ . 1 . 2]" 1
52 1 8 PHE QD 1 29 VAL HB 5.000 . 6.500 4.985 3.916 6.677 0.177 9 0 "[ . 1 . 2]" 1
53 1 8 PHE QD 1 29 VAL MG1 5.000 . 6.500 4.302 3.291 5.923 . 0 0 "[ . 1 . 2]" 1
54 1 8 PHE QD 1 29 VAL MG2 5.000 . 6.500 4.117 3.242 5.190 . 0 0 "[ . 1 . 2]" 1
55 1 8 PHE QD 1 45 ILE MD 5.000 . 6.500 3.675 2.862 4.550 . 0 0 "[ . 1 . 2]" 1
56 1 8 PHE QD 1 45 ILE MG 5.000 . 6.500 3.614 2.933 4.810 . 0 0 "[ . 1 . 2]" 1
57 1 8 PHE QE 1 9 TYR HA 5.000 . 6.500 4.607 4.314 5.087 . 0 0 "[ . 1 . 2]" 1
58 1 8 PHE QE 1 9 TYR HB2 5.000 . 6.500 5.437 4.657 6.451 . 0 0 "[ . 1 . 2]" 1
59 1 8 PHE QE 1 9 TYR HB3 5.000 . 6.500 6.755 6.124 7.463 0.963 2 2 "[ + . - . 2]" 1
60 1 8 PHE QE 1 12 ILE MG 5.000 . 6.500 3.636 2.663 4.938 . 0 0 "[ . 1 . 2]" 1
61 1 8 PHE QE 1 25 LEU QD 5.000 . 6.500 2.753 2.153 4.483 . 0 0 "[ . 1 . 2]" 1
62 1 8 PHE QE 1 26 ALA HA 5.000 . 6.500 5.297 4.522 6.587 0.087 9 0 "[ . 1 . 2]" 1
63 1 8 PHE QE 1 29 VAL MG1 5.000 . 6.500 2.781 1.638 4.575 0.162 13 0 "[ . 1 . 2]" 1
64 1 8 PHE QE 1 29 VAL MG2 5.000 . 6.500 3.407 2.463 4.620 . 0 0 "[ . 1 . 2]" 1
65 1 8 PHE QE 1 45 ILE MD 5.000 . 6.500 4.527 3.437 5.185 . 0 0 "[ . 1 . 2]" 1
66 1 8 PHE QE 1 45 ILE MG 5.000 . 6.500 3.603 2.866 4.516 . 0 0 "[ . 1 . 2]" 1
67 1 8 PHE QE 1 62 THR MG 5.000 . 6.500 2.686 2.024 3.295 . 0 0 "[ . 1 . 2]" 1
68 1 8 PHE QE 1 65 ALA MB 5.000 . 6.500 2.349 1.804 3.365 . 0 0 "[ . 1 . 2]" 1
69 1 8 PHE HZ 1 12 ILE MG 5.000 . 6.500 4.500 3.636 6.119 . 0 0 "[ . 1 . 2]" 1
70 1 8 PHE HZ 1 25 LEU MD1 5.000 . 6.500 2.668 1.722 5.325 0.078 12 0 "[ . 1 . 2]" 1
71 1 8 PHE HZ 1 25 LEU MD2 5.000 . 6.500 4.360 3.121 7.230 0.730 9 1 "[ . +1 . 2]" 1
72 1 8 PHE HZ 1 29 VAL MG1 5.000 . 6.500 4.244 2.778 6.249 . 0 0 "[ . 1 . 2]" 1
73 1 8 PHE HZ 1 29 VAL MG2 5.000 . 6.500 5.058 3.868 6.383 . 0 0 "[ . 1 . 2]" 1
74 1 8 PHE HZ 1 61 THR HB 5.000 . 6.500 5.548 4.417 7.249 0.749 9 1 "[ . +1 . 2]" 1
75 1 8 PHE HZ 1 62 THR MG 5.000 . 6.500 2.695 1.832 3.938 . 0 0 "[ . 1 . 2]" 1
76 1 9 TYR H 1 10 ASN H 5.000 . 6.500 2.730 2.499 2.866 . 0 0 "[ . 1 . 2]" 1
77 1 9 TYR H 1 12 ILE MG 5.000 . 6.500 4.239 3.944 4.874 . 0 0 "[ . 1 . 2]" 1
78 1 9 TYR HA 1 10 ASN H 5.000 . 6.500 3.545 3.483 3.585 . 0 0 "[ . 1 . 2]" 1
79 1 9 TYR HA 1 11 PHE H 5.000 . 6.500 4.195 3.940 4.619 . 0 0 "[ . 1 . 2]" 1
80 1 9 TYR HA 1 12 ILE H 5.000 . 6.500 3.580 3.261 3.903 . 0 0 "[ . 1 . 2]" 1
81 1 9 TYR HA 1 12 ILE MG 5.000 . 6.500 2.072 1.775 2.556 0.025 18 0 "[ . 1 . 2]" 1
82 1 9 TYR HB2 1 10 ASN H 5.000 . 6.500 3.897 3.683 4.091 . 0 0 "[ . 1 . 2]" 1
83 1 9 TYR HB2 1 29 VAL QG 5.000 . 6.500 4.050 3.244 4.779 . 0 0 "[ . 1 . 2]" 1
84 1 9 TYR HB3 1 10 ASN H 5.000 . 6.500 2.619 2.285 2.941 . 0 0 "[ . 1 . 2]" 1
85 1 9 TYR HB3 1 29 VAL QG 5.000 . 6.500 5.204 4.598 5.946 . 0 0 "[ . 1 . 2]" 1
86 1 9 TYR QD 1 10 ASN HA 5.000 . 6.500 3.699 3.224 4.397 . 0 0 "[ . 1 . 2]" 1
87 1 9 TYR QD 1 12 ILE HB 5.000 . 6.500 5.807 4.692 6.422 . 0 0 "[ . 1 . 2]" 1
88 1 9 TYR QD 1 12 ILE MG 5.000 . 6.500 3.198 2.264 3.848 . 0 0 "[ . 1 . 2]" 1
89 1 9 TYR QD 1 29 VAL HB 5.000 . 6.500 4.128 2.667 5.523 . 0 0 "[ . 1 . 2]" 1
90 1 9 TYR QD 1 29 VAL MG1 5.000 . 6.500 4.640 3.641 5.469 . 0 0 "[ . 1 . 2]" 1
91 1 9 TYR QD 1 29 VAL MG2 5.000 . 6.500 2.499 2.082 3.144 . 0 0 "[ . 1 . 2]" 1
92 1 9 TYR QE 1 12 ILE MG 5.000 . 6.500 4.079 3.001 4.695 . 0 0 "[ . 1 . 2]" 1
93 1 9 TYR QE 1 13 MET HA 5.000 . 6.500 5.219 3.704 6.667 0.167 14 0 "[ . 1 . 2]" 1
94 1 9 TYR QE 1 13 MET QG 5.000 . 6.500 3.582 2.370 4.883 . 0 0 "[ . 1 . 2]" 1
95 1 9 TYR QE 1 26 ALA HA 5.000 . 6.500 4.315 2.381 6.178 . 0 0 "[ . 1 . 2]" 1
96 1 9 TYR QE 1 29 VAL HB 5.000 . 6.500 4.983 2.793 6.397 . 0 0 "[ . 1 . 2]" 1
97 1 9 TYR QE 1 30 SER HA 5.000 . 6.500 3.389 2.108 4.831 . 0 0 "[ . 1 . 2]" 1
98 1 10 ASN H 1 10 ASN QB 3.500 . 4.550 2.241 2.130 2.311 . 0 0 "[ . 1 . 2]" 1
99 1 10 ASN H 1 11 PHE H 3.500 . 4.550 2.714 2.398 2.902 . 0 0 "[ . 1 . 2]" 1
100 1 10 ASN HA 1 11 PHE H 5.000 . 6.500 3.514 3.460 3.557 . 0 0 "[ . 1 . 2]" 1
101 1 10 ASN HA 1 12 ILE MG 5.000 . 6.500 4.734 4.421 5.133 . 0 0 "[ . 1 . 2]" 1
102 1 10 ASN HA 1 13 MET H 5.000 . 6.500 3.844 3.036 4.467 . 0 0 "[ . 1 . 2]" 1
103 1 10 ASN HA 1 13 MET QB 5.000 . 6.500 3.177 2.020 4.158 . 0 0 "[ . 1 . 2]" 1
104 1 10 ASN HB2 1 11 PHE H 5.000 . 6.500 4.005 3.880 4.215 . 0 0 "[ . 1 . 2]" 1
105 1 10 ASN HB3 1 11 PHE H 5.000 . 6.500 2.822 2.545 3.109 . 0 0 "[ . 1 . 2]" 1
106 1 10 ASN QD 1 11 PHE H 5.000 . 6.500 3.939 3.121 5.009 . 0 0 "[ . 1 . 2]" 1
107 1 11 PHE H 1 11 PHE QD 5.000 . 6.500 4.211 4.188 4.258 . 0 0 "[ . 1 . 2]" 1
108 1 11 PHE H 1 12 ILE H 5.000 . 6.500 2.658 2.367 2.880 . 0 0 "[ . 1 . 2]" 1
109 1 11 PHE H 1 12 ILE MG 5.000 . 6.500 3.904 3.561 4.162 . 0 0 "[ . 1 . 2]" 1
110 1 11 PHE H 1 13 MET H 5.000 . 6.500 3.971 3.649 4.339 . 0 0 "[ . 1 . 2]" 1
111 1 11 PHE H 1 69 TYR QE 5.000 . 6.500 4.883 3.047 6.431 . 0 0 "[ . 1 . 2]" 1
112 1 11 PHE HA 1 12 ILE H 5.000 . 6.500 3.570 3.546 3.592 . 0 0 "[ . 1 . 2]" 1
113 1 11 PHE HA 1 13 MET H 5.000 . 6.500 4.296 4.049 4.612 . 0 0 "[ . 1 . 2]" 1
114 1 11 PHE HB2 1 12 ILE H 5.000 . 6.500 3.834 3.698 3.953 . 0 0 "[ . 1 . 2]" 1
115 1 11 PHE HB2 1 69 TYR QE 5.000 . 6.500 3.133 1.902 4.804 . 0 0 "[ . 1 . 2]" 1
116 1 11 PHE HB3 1 12 ILE H 5.000 . 6.500 2.482 2.296 2.693 . 0 0 "[ . 1 . 2]" 1
117 1 11 PHE HB3 1 69 TYR QE 5.000 . 6.500 3.949 2.455 6.273 . 0 0 "[ . 1 . 2]" 1
118 1 11 PHE QD 1 12 ILE H 5.000 . 6.500 3.385 3.107 3.937 . 0 0 "[ . 1 . 2]" 1
119 1 11 PHE QD 1 12 ILE HA 5.000 . 6.500 3.379 2.974 3.738 . 0 0 "[ . 1 . 2]" 1
120 1 11 PHE QD 1 12 ILE HB 5.000 . 6.500 3.488 2.837 4.597 . 0 0 "[ . 1 . 2]" 1
121 1 11 PHE QD 1 12 ILE MD 5.000 . 6.500 3.781 3.059 4.330 . 0 0 "[ . 1 . 2]" 1
122 1 11 PHE QD 1 12 ILE MG 5.000 . 6.500 4.522 4.068 5.250 . 0 0 "[ . 1 . 2]" 1
123 1 11 PHE QD 1 65 ALA HA 5.000 . 6.500 4.063 2.631 6.198 . 0 0 "[ . 1 . 2]" 1
124 1 11 PHE QD 1 65 ALA MB 5.000 . 6.500 2.573 2.123 3.876 . 0 0 "[ . 1 . 2]" 1
125 1 11 PHE QE 1 12 ILE MD 5.000 . 6.500 4.243 3.304 5.267 . 0 0 "[ . 1 . 2]" 1
126 1 11 PHE QE 1 61 THR MG 5.000 . 6.500 5.101 3.967 6.640 0.140 6 0 "[ . 1 . 2]" 1
127 1 11 PHE QE 1 65 ALA MB 5.000 . 6.500 2.843 2.206 3.453 . 0 0 "[ . 1 . 2]" 1
128 1 12 ILE H 1 12 ILE HB 3.500 . 4.550 2.548 2.468 2.858 . 0 0 "[ . 1 . 2]" 1
129 1 12 ILE H 1 12 ILE MD 5.000 . 6.500 4.092 4.011 4.258 . 0 0 "[ . 1 . 2]" 1
130 1 12 ILE H 1 13 MET H 3.500 . 4.550 2.622 2.155 2.785 . 0 0 "[ . 1 . 2]" 1
131 1 12 ILE HA 1 13 MET H 5.000 . 6.500 3.475 3.328 3.563 . 0 0 "[ . 1 . 2]" 1
132 1 12 ILE HA 1 15 PHE HB2 5.000 . 6.500 3.933 3.457 4.555 . 0 0 "[ . 1 . 2]" 1
133 1 12 ILE HA 1 15 PHE HB3 5.000 . 6.500 5.460 5.006 6.215 . 0 0 "[ . 1 . 2]" 1
134 1 12 ILE HA 1 15 PHE QD 5.000 . 6.500 2.292 1.912 2.981 . 0 0 "[ . 1 . 2]" 1
135 1 12 ILE HA 1 15 PHE QE 5.000 . 6.500 3.260 2.866 4.023 . 0 0 "[ . 1 . 2]" 1
136 1 12 ILE HB 1 13 MET H 5.000 . 6.500 4.136 3.965 4.263 . 0 0 "[ . 1 . 2]" 1
137 1 12 ILE HB 1 15 PHE QD 5.000 . 6.500 4.568 4.218 5.055 . 0 0 "[ . 1 . 2]" 1
138 1 12 ILE MD 1 15 PHE HB2 5.000 . 6.500 2.773 2.121 3.309 . 0 0 "[ . 1 . 2]" 1
139 1 12 ILE MD 1 15 PHE HB3 5.000 . 6.500 3.791 3.201 4.591 . 0 0 "[ . 1 . 2]" 1
140 1 12 ILE MD 1 15 PHE QD 5.000 . 6.500 2.295 1.854 2.984 . 0 0 "[ . 1 . 2]" 1
141 1 12 ILE MD 1 15 PHE QE 5.000 . 6.500 3.466 2.929 4.425 . 0 0 "[ . 1 . 2]" 1
142 1 12 ILE MD 1 22 PHE HA 5.000 . 6.500 3.647 2.560 4.951 . 0 0 "[ . 1 . 2]" 1
143 1 12 ILE MD 1 22 PHE QB 5.000 . 6.500 2.466 1.705 3.659 0.095 19 0 "[ . 1 . 2]" 1
144 1 12 ILE MD 1 23 GLY HA2 5.000 . 6.500 4.102 2.268 4.762 . 0 0 "[ . 1 . 2]" 1
145 1 12 ILE MD 1 23 GLY HA3 5.000 . 6.500 5.342 3.678 5.939 . 0 0 "[ . 1 . 2]" 1
146 1 12 ILE MD 1 25 LEU QB 5.000 . 6.500 3.143 2.505 4.404 . 0 0 "[ . 1 . 2]" 1
147 1 12 ILE MD 1 25 LEU QD 5.000 . 6.500 3.118 2.483 4.551 . 0 0 "[ . 1 . 2]" 1
148 1 12 ILE MD 1 25 LEU HG 5.000 . 6.500 4.301 3.513 6.109 . 0 0 "[ . 1 . 2]" 1
149 1 12 ILE MD 1 26 ALA H 5.000 . 6.500 3.722 3.185 4.524 . 0 0 "[ . 1 . 2]" 1
150 1 12 ILE MD 1 26 ALA HA 5.000 . 6.500 4.560 3.534 5.479 . 0 0 "[ . 1 . 2]" 1
151 1 12 ILE MD 1 26 ALA MB 5.000 . 6.500 3.231 2.761 3.709 . 0 0 "[ . 1 . 2]" 1
152 1 12 ILE MD 1 61 THR HB 5.000 . 6.500 4.506 3.589 5.632 . 0 0 "[ . 1 . 2]" 1
153 1 12 ILE MD 1 61 THR MG 5.000 . 6.500 2.304 1.977 3.279 . 0 0 "[ . 1 . 2]" 1
154 1 12 ILE MD 1 65 ALA MB 5.000 . 6.500 3.519 2.287 4.898 . 0 0 "[ . 1 . 2]" 1
155 1 12 ILE QG 1 13 MET H 5.000 . 6.500 4.102 3.858 4.482 . 0 0 "[ . 1 . 2]" 1
156 1 12 ILE QG 1 15 PHE H 5.000 . 6.500 4.220 3.989 4.553 . 0 0 "[ . 1 . 2]" 1
157 1 12 ILE QG 1 15 PHE QB 5.000 . 6.500 3.273 2.260 4.025 . 0 0 "[ . 1 . 2]" 1
158 1 12 ILE QG 1 15 PHE QD 5.000 . 6.500 3.616 3.228 4.350 . 0 0 "[ . 1 . 2]" 1
159 1 12 ILE QG 1 23 GLY HA2 5.000 . 6.500 3.917 2.752 4.580 . 0 0 "[ . 1 . 2]" 1
160 1 12 ILE QG 1 23 GLY HA3 5.000 . 6.500 5.455 4.201 6.089 . 0 0 "[ . 1 . 2]" 1
161 1 12 ILE QG 1 26 ALA H 5.000 . 6.500 2.973 2.635 3.364 . 0 0 "[ . 1 . 2]" 1
162 1 12 ILE QG 1 26 ALA HA 5.000 . 6.500 2.967 2.095 3.889 . 0 0 "[ . 1 . 2]" 1
163 1 12 ILE QG 1 26 ALA MB 5.000 . 6.500 1.813 1.592 2.243 0.208 19 0 "[ . 1 . 2]" 1
164 1 12 ILE MG 1 13 MET H 5.000 . 6.500 2.501 2.147 2.938 . 0 0 "[ . 1 . 2]" 1
165 1 12 ILE MG 1 13 MET HA 5.000 . 6.500 3.250 3.113 3.444 . 0 0 "[ . 1 . 2]" 1
166 1 12 ILE MG 1 13 MET QB 5.000 . 6.500 3.772 3.252 4.213 . 0 0 "[ . 1 . 2]" 1
167 1 12 ILE MG 1 13 MET HG2 5.000 . 6.500 4.283 3.193 5.818 . 0 0 "[ . 1 . 2]" 1
168 1 12 ILE MG 1 13 MET HG3 5.000 . 6.500 3.883 2.580 5.873 . 0 0 "[ . 1 . 2]" 1
169 1 12 ILE MG 1 26 ALA HA 5.000 . 6.500 2.670 2.357 3.060 . 0 0 "[ . 1 . 2]" 1
170 1 12 ILE MG 1 26 ALA MB 5.000 . 6.500 2.405 1.972 3.349 . 0 0 "[ . 1 . 2]" 1
171 1 13 MET H 1 13 MET QB 3.500 . 4.550 2.400 2.214 2.507 . 0 0 "[ . 1 . 2]" 1
172 1 13 MET H 1 13 MET HG2 5.000 . 6.500 3.664 2.371 4.514 . 0 0 "[ . 1 . 2]" 1
173 1 13 MET H 1 13 MET HG3 5.000 . 6.500 2.946 2.163 4.591 . 0 0 "[ . 1 . 2]" 1
174 1 13 MET H 1 14 GLY H 5.000 . 6.500 3.237 2.656 4.661 . 0 0 "[ . 1 . 2]" 1
175 1 13 MET H 1 26 ALA MB 5.000 . 6.500 4.168 3.479 5.116 . 0 0 "[ . 1 . 2]" 1
176 1 13 MET HA 1 14 GLY H 5.000 . 6.500 3.166 2.222 3.550 . 0 0 "[ . 1 . 2]" 1
177 1 13 MET HA 1 16 GLN H 5.000 . 6.500 3.331 2.875 4.078 . 0 0 "[ . 1 . 2]" 1
178 1 13 MET HA 1 16 GLN QB 5.000 . 6.500 2.864 2.078 4.447 . 0 0 "[ . 1 . 2]" 1
179 1 13 MET HA 1 26 ALA MB 5.000 . 6.500 2.941 2.074 3.972 . 0 0 "[ . 1 . 2]" 1
180 1 13 MET QB 1 14 GLY H 5.000 . 6.500 3.245 2.630 3.700 . 0 0 "[ . 1 . 2]" 1
181 1 13 MET HG2 1 14 GLY H 5.000 . 6.500 4.362 2.581 5.365 . 0 0 "[ . 1 . 2]" 1
182 1 13 MET HG3 1 14 GLY H 5.000 . 6.500 3.928 2.270 5.116 . 0 0 "[ . 1 . 2]" 1
183 1 14 GLY H 1 15 PHE H 5.000 . 6.500 2.810 2.340 3.180 . 0 0 "[ . 1 . 2]" 1
184 1 14 GLY H 1 16 GLN H 5.000 . 6.500 3.808 2.991 4.244 . 0 0 "[ . 1 . 2]" 1
185 1 14 GLY QA 1 15 PHE H 5.000 . 6.500 2.794 2.652 2.934 . 0 0 "[ . 1 . 2]" 1
186 1 14 GLY QA 1 16 GLN H 5.000 . 6.500 3.749 3.492 4.118 . 0 0 "[ . 1 . 2]" 1
187 1 14 GLY QA 1 17 ASN H 5.000 . 6.500 4.172 3.304 6.568 0.068 16 0 "[ . 1 . 2]" 1
188 1 14 GLY QA 1 17 ASN QB 5.000 . 6.500 3.772 2.804 6.162 . 0 0 "[ . 1 . 2]" 1
189 1 15 PHE H 1 15 PHE QD 5.000 . 6.500 2.397 1.872 2.951 . 0 0 "[ . 1 . 2]" 1
190 1 15 PHE H 1 16 GLN H 3.500 . 4.550 2.433 2.227 2.640 . 0 0 "[ . 1 . 2]" 1
191 1 15 PHE H 1 16 GLN QB 5.000 . 6.500 4.165 3.687 4.884 . 0 0 "[ . 1 . 2]" 1
192 1 15 PHE H 1 26 ALA MB 5.000 . 6.500 4.340 3.425 5.423 . 0 0 "[ . 1 . 2]" 1
193 1 15 PHE HA 1 16 GLN H 5.000 . 6.500 3.391 3.124 3.531 . 0 0 "[ . 1 . 2]" 1
194 1 15 PHE HA 1 17 ASN H 5.000 . 6.500 3.899 3.356 4.523 . 0 0 "[ . 1 . 2]" 1
195 1 15 PHE HA 1 18 ASP H 5.000 . 6.500 4.130 3.072 5.529 . 0 0 "[ . 1 . 2]" 1
196 1 15 PHE HB2 1 16 GLN H 5.000 . 6.500 3.247 2.729 3.845 . 0 0 "[ . 1 . 2]" 1
197 1 15 PHE HB2 1 22 PHE QB 5.000 . 6.500 3.180 2.208 4.945 . 0 0 "[ . 1 . 2]" 1
198 1 15 PHE HB2 1 23 GLY H 5.000 . 6.500 4.360 3.875 5.631 . 0 0 "[ . 1 . 2]" 1
199 1 15 PHE HB2 1 23 GLY HA2 5.000 . 6.500 3.504 2.761 5.071 . 0 0 "[ . 1 . 2]" 1
200 1 15 PHE HB2 1 23 GLY HA3 5.000 . 6.500 4.590 3.596 5.928 . 0 0 "[ . 1 . 2]" 1
201 1 15 PHE HB2 1 26 ALA MB 5.000 . 6.500 3.736 2.356 5.646 . 0 0 "[ . 1 . 2]" 1
202 1 15 PHE HB3 1 16 GLN H 5.000 . 6.500 4.102 3.750 4.457 . 0 0 "[ . 1 . 2]" 1
203 1 15 PHE HB3 1 22 PHE QB 5.000 . 6.500 2.611 1.854 4.974 . 0 0 "[ . 1 . 2]" 1
204 1 15 PHE HB3 1 23 GLY H 5.000 . 6.500 3.598 2.839 5.728 . 0 0 "[ . 1 . 2]" 1
205 1 15 PHE HB3 1 23 GLY HA2 5.000 . 6.500 3.830 1.934 5.891 . 0 0 "[ . 1 . 2]" 1
206 1 15 PHE HB3 1 23 GLY HA3 5.000 . 6.500 4.294 2.984 6.283 . 0 0 "[ . 1 . 2]" 1
207 1 15 PHE HB3 1 26 ALA MB 5.000 . 6.500 4.872 3.003 6.881 0.381 3 0 "[ . 1 . 2]" 1
208 1 15 PHE QD 1 20 THR HB 5.000 . 6.500 4.793 3.535 6.979 0.479 3 0 "[ . 1 . 2]" 1
209 1 15 PHE QD 1 22 PHE HB2 5.000 . 6.500 3.457 2.515 6.300 . 0 0 "[ . 1 . 2]" 1
210 1 15 PHE QD 1 22 PHE HB3 5.000 . 6.500 3.850 2.853 6.465 . 0 0 "[ . 1 . 2]" 1
211 1 16 GLN H 1 16 GLN QB 2.900 . 3.770 2.304 2.106 2.704 . 0 0 "[ . 1 . 2]" 1
212 1 16 GLN H 1 17 ASN H 5.000 . 6.500 2.697 2.267 4.031 . 0 0 "[ . 1 . 2]" 1
213 1 16 GLN H 1 26 ALA MB 5.000 . 6.500 3.597 2.659 5.266 . 0 0 "[ . 1 . 2]" 1
214 1 16 GLN HA 1 16 GLN HE21 5.000 . 6.500 3.787 2.426 5.294 . 0 0 "[ . 1 . 2]" 1
215 1 16 GLN HA 1 16 GLN HE22 5.000 . 6.500 4.602 3.218 5.829 . 0 0 "[ . 1 . 2]" 1
216 1 16 GLN HA 1 17 ASN H 3.500 . 4.550 3.276 2.243 3.529 . 0 0 "[ . 1 . 2]" 1
217 1 16 GLN HA 1 18 ASP H 5.000 . 6.500 4.180 3.283 5.189 . 0 0 "[ . 1 . 2]" 1
218 1 16 GLN HA 1 23 GLY QA 5.000 . 6.500 2.461 1.838 3.618 . 0 0 "[ . 1 . 2]" 1
219 1 16 GLN HA 1 26 ALA MB 5.000 . 6.500 3.485 2.588 4.317 . 0 0 "[ . 1 . 2]" 1
220 1 16 GLN QB 1 17 ASN H 5.000 . 6.500 3.228 2.724 4.053 . 0 0 "[ . 1 . 2]" 1
221 1 16 GLN QB 1 26 ALA MB 5.000 . 6.500 2.152 1.764 3.233 0.036 17 0 "[ . 1 . 2]" 1
222 1 16 GLN QG 1 17 ASN H 5.000 . 6.500 4.142 2.634 4.819 . 0 0 "[ . 1 . 2]" 1
223 1 16 GLN QG 1 26 ALA MB 5.000 . 6.500 3.009 2.159 4.042 . 0 0 "[ . 1 . 2]" 1
224 1 17 ASN H 1 18 ASP H 5.000 . 6.500 2.736 2.130 3.219 . 0 0 "[ . 1 . 2]" 1
225 1 17 ASN HA 1 17 ASN HD22 5.000 . 6.500 4.159 3.496 4.736 . 0 0 "[ . 1 . 2]" 1
226 1 17 ASN HA 1 18 ASP H 5.000 . 6.500 3.488 2.876 3.596 . 0 0 "[ . 1 . 2]" 1
227 1 17 ASN QB 1 18 ASP H 5.000 . 6.500 2.637 2.008 3.870 . 0 0 "[ . 1 . 2]" 1
228 1 18 ASP H 1 18 ASP HB3 3.500 . 4.550 3.222 2.485 3.775 . 0 0 "[ . 1 . 2]" 1
229 1 18 ASP HB2 1 20 THR MG 5.000 . 6.500 3.361 2.221 4.204 . 0 0 "[ . 1 . 2]" 1
230 1 18 ASP HB3 1 20 THR MG 5.000 . 6.500 3.360 2.341 4.950 . 0 0 "[ . 1 . 2]" 1
231 1 19 ASN HA 1 19 ASN HD22 5.000 . 6.500 4.339 3.429 5.142 . 0 0 "[ . 1 . 2]" 1
232 1 19 ASN HA 1 20 THR MG 5.000 . 6.500 4.045 3.843 4.985 . 0 0 "[ . 1 . 2]" 1
233 1 20 THR H 1 23 GLY H 5.000 . 6.500 3.473 2.815 4.196 . 0 0 "[ . 1 . 2]" 1
234 1 20 THR H 1 23 GLY QA 5.000 . 6.500 3.199 2.485 4.203 . 0 0 "[ . 1 . 2]" 1
235 1 20 THR HA 1 21 PRO HD2 5.000 . 6.500 2.600 2.146 2.901 . 0 0 "[ . 1 . 2]" 1
236 1 20 THR HA 1 21 PRO HD3 5.000 . 6.500 2.274 2.013 2.759 . 0 0 "[ . 1 . 2]" 1
237 1 20 THR HB 1 21 PRO HD2 5.000 . 6.500 2.259 1.868 2.960 . 0 0 "[ . 1 . 2]" 1
238 1 20 THR HB 1 21 PRO HD3 5.000 . 6.500 3.423 3.046 3.881 . 0 0 "[ . 1 . 2]" 1
239 1 20 THR HB 1 21 PRO HG2 5.000 . 6.500 4.294 3.246 5.250 . 0 0 "[ . 1 . 2]" 1
240 1 20 THR HB 1 21 PRO HG3 5.000 . 6.500 4.932 4.298 5.579 . 0 0 "[ . 1 . 2]" 1
241 1 20 THR HB 1 22 PHE QD 5.000 . 6.500 2.473 2.021 2.974 . 0 0 "[ . 1 . 2]" 1
242 1 20 THR HB 1 23 GLY H 5.000 . 6.500 3.441 2.998 3.723 . 0 0 "[ . 1 . 2]" 1
243 1 20 THR MG 1 21 PRO HD2 5.000 . 6.500 3.477 3.081 3.890 . 0 0 "[ . 1 . 2]" 1
244 1 20 THR MG 1 21 PRO HD3 5.000 . 6.500 3.969 3.708 4.428 . 0 0 "[ . 1 . 2]" 1
245 1 20 THR MG 1 23 GLY H 5.000 . 6.500 4.020 3.842 4.398 . 0 0 "[ . 1 . 2]" 1
246 1 21 PRO HA 1 22 PHE H 5.000 . 6.500 3.520 3.474 3.548 . 0 0 "[ . 1 . 2]" 1
247 1 21 PRO HA 1 24 ILE H 5.000 . 6.500 3.620 3.234 4.049 . 0 0 "[ . 1 . 2]" 1
248 1 21 PRO HA 1 24 ILE HB 5.000 . 6.500 3.552 2.457 4.702 . 0 0 "[ . 1 . 2]" 1
249 1 21 PRO HA 1 24 ILE MD 5.000 . 6.500 3.635 2.128 4.868 . 0 0 "[ . 1 . 2]" 1
250 1 21 PRO HA 1 24 ILE HG12 5.000 . 6.500 3.142 2.295 4.747 . 0 0 "[ . 1 . 2]" 1
251 1 21 PRO HA 1 24 ILE HG13 5.000 . 6.500 3.049 2.583 3.780 . 0 0 "[ . 1 . 2]" 1
252 1 21 PRO HB2 1 22 PHE H 5.000 . 6.500 2.944 2.595 3.401 . 0 0 "[ . 1 . 2]" 1
253 1 21 PRO HB3 1 22 PHE H 5.000 . 6.500 4.112 3.945 4.265 . 0 0 "[ . 1 . 2]" 1
254 1 21 PRO HD2 1 22 PHE H 5.000 . 6.500 2.916 2.755 3.100 . 0 0 "[ . 1 . 2]" 1
255 1 21 PRO HD3 1 22 PHE H 5.000 . 6.500 4.047 3.949 4.164 . 0 0 "[ . 1 . 2]" 1
256 1 21 PRO QG 1 22 PHE QB 5.000 . 6.500 5.250 4.168 5.715 . 0 0 "[ . 1 . 2]" 1
257 1 22 PHE HA 1 22 PHE QE 5.000 . 6.500 4.697 4.595 4.800 . 0 0 "[ . 1 . 2]" 1
258 1 22 PHE HA 1 23 GLY H 5.000 . 6.500 3.538 3.484 3.580 . 0 0 "[ . 1 . 2]" 1
259 1 22 PHE HA 1 24 ILE H 5.000 . 6.500 4.137 3.732 4.506 . 0 0 "[ . 1 . 2]" 1
260 1 22 PHE HA 1 25 LEU H 5.000 . 6.500 3.564 3.330 3.864 . 0 0 "[ . 1 . 2]" 1
261 1 22 PHE HA 1 57 GLN QB 3.500 . 4.550 4.957 3.237 6.752 2.202 5 7 "[ +* *1 - *.* *]" 1
262 1 22 PHE HA 1 61 THR MG 5.000 . 6.500 2.747 2.039 3.929 . 0 0 "[ . 1 . 2]" 1
263 1 22 PHE QB 1 61 THR MG 5.000 . 6.500 2.790 2.152 3.562 . 0 0 "[ . 1 . 2]" 1
264 1 22 PHE HB2 1 23 GLY H 5.000 . 6.500 2.656 2.371 2.902 . 0 0 "[ . 1 . 2]" 1
265 1 22 PHE HB3 1 23 GLY H 5.000 . 6.500 3.752 3.457 3.950 . 0 0 "[ . 1 . 2]" 1
266 1 22 PHE QE 1 57 GLN HA 5.000 . 6.500 5.886 2.579 7.759 1.259 16 3 "[ -* 1 .+ 2]" 1
267 1 22 PHE QE 1 61 THR MG 5.000 . 6.500 3.647 2.654 5.294 . 0 0 "[ . 1 . 2]" 1
268 1 23 GLY H 1 24 ILE H 3.500 . 4.550 2.749 2.687 2.825 . 0 0 "[ . 1 . 2]" 1
269 1 23 GLY H 1 24 ILE QG 5.000 . 6.500 4.109 3.968 4.381 . 0 0 "[ . 1 . 2]" 1
270 1 23 GLY QA 1 27 GLU H 5.000 . 6.500 3.842 3.292 4.637 . 0 0 "[ . 1 . 2]" 1
271 1 23 GLY HA2 1 24 ILE H 5.000 . 6.500 3.518 3.466 3.555 . 0 0 "[ . 1 . 2]" 1
272 1 23 GLY HA2 1 26 ALA H 5.000 . 6.500 3.286 2.905 3.650 . 0 0 "[ . 1 . 2]" 1
273 1 23 GLY HA2 1 26 ALA MB 5.000 . 6.500 2.584 1.984 3.421 . 0 0 "[ . 1 . 2]" 1
274 1 23 GLY HA3 1 24 ILE H 5.000 . 6.500 2.920 2.790 3.057 . 0 0 "[ . 1 . 2]" 1
275 1 23 GLY HA3 1 26 ALA H 5.000 . 6.500 4.605 4.276 4.868 . 0 0 "[ . 1 . 2]" 1
276 1 23 GLY HA3 1 26 ALA MB 5.000 . 6.500 3.854 3.277 4.207 . 0 0 "[ . 1 . 2]" 1
277 1 24 ILE H 1 24 ILE HB 3.500 . 4.550 2.582 2.509 2.687 . 0 0 "[ . 1 . 2]" 1
278 1 24 ILE H 1 24 ILE MD 5.000 . 6.500 3.221 2.883 3.644 . 0 0 "[ . 1 . 2]" 1
279 1 24 ILE H 1 24 ILE HG12 5.000 . 6.500 2.359 1.903 3.332 . 0 0 "[ . 1 . 2]" 1
280 1 24 ILE H 1 24 ILE HG13 5.000 . 6.500 3.191 2.002 3.644 . 0 0 "[ . 1 . 2]" 1
281 1 24 ILE H 1 25 LEU H 3.500 . 4.550 2.763 2.600 2.884 . 0 0 "[ . 1 . 2]" 1
282 1 24 ILE H 1 25 LEU QB 5.000 . 6.500 4.468 4.342 4.607 . 0 0 "[ . 1 . 2]" 1
283 1 24 ILE H 1 26 ALA MB 5.000 . 6.500 4.849 4.550 5.232 . 0 0 "[ . 1 . 2]" 1
284 1 24 ILE H 1 58 LEU QD 5.000 . 6.500 5.030 4.120 6.151 . 0 0 "[ . 1 . 2]" 1
285 1 24 ILE HA 1 25 LEU H 5.000 . 6.500 3.545 3.493 3.568 . 0 0 "[ . 1 . 2]" 1
286 1 24 ILE HA 1 27 GLU H 5.000 . 6.500 3.611 3.167 4.351 . 0 0 "[ . 1 . 2]" 1
287 1 24 ILE HA 1 27 GLU QB 5.000 . 6.500 2.920 2.187 4.034 . 0 0 "[ . 1 . 2]" 1
288 1 24 ILE HA 1 28 HIS H 5.000 . 6.500 4.187 3.836 4.954 . 0 0 "[ . 1 . 2]" 1
289 1 24 ILE HB 1 25 LEU H 3.500 . 4.550 2.640 2.380 2.992 . 0 0 "[ . 1 . 2]" 1
290 1 24 ILE HB 1 58 LEU QD 5.000 . 6.500 3.329 2.297 4.535 . 0 0 "[ . 1 . 2]" 1
291 1 24 ILE MD 1 25 LEU H 5.000 . 6.500 4.647 4.407 4.908 . 0 0 "[ . 1 . 2]" 1
292 1 24 ILE MD 1 58 LEU QD 5.000 . 6.500 4.660 3.334 5.917 . 0 0 "[ . 1 . 2]" 1
293 1 24 ILE HG12 1 25 LEU H 5.000 . 6.500 4.402 4.091 5.088 . 0 0 "[ . 1 . 2]" 1
294 1 24 ILE HG13 1 25 LEU H 5.000 . 6.500 4.783 4.124 5.060 . 0 0 "[ . 1 . 2]" 1
295 1 24 ILE MG 1 25 LEU H 5.000 . 6.500 3.476 3.271 3.715 . 0 0 "[ . 1 . 2]" 1
296 1 24 ILE MG 1 58 LEU QD 5.000 . 6.500 2.549 1.914 3.756 . 0 0 "[ . 1 . 2]" 1
297 1 25 LEU H 1 25 LEU MD1 5.000 . 6.500 4.248 4.156 4.292 . 0 0 "[ . 1 . 2]" 1
298 1 25 LEU H 1 25 LEU MD2 5.000 . 6.500 4.021 3.946 4.136 . 0 0 "[ . 1 . 2]" 1
299 1 25 LEU H 1 25 LEU HG 5.000 . 6.500 4.583 4.552 4.647 . 0 0 "[ . 1 . 2]" 1
300 1 25 LEU H 1 26 ALA H 5.000 . 6.500 2.732 2.391 2.895 . 0 0 "[ . 1 . 2]" 1
301 1 25 LEU H 1 58 LEU HA 5.000 . 6.500 5.067 4.276 6.530 0.030 5 0 "[ . 1 . 2]" 1
302 1 25 LEU H 1 58 LEU QD 5.000 . 6.500 3.462 2.683 4.489 . 0 0 "[ . 1 . 2]" 1
303 1 25 LEU HA 1 26 ALA H 5.000 . 6.500 3.565 3.535 3.583 . 0 0 "[ . 1 . 2]" 1
304 1 25 LEU HA 1 28 HIS H 5.000 . 6.500 3.531 3.145 3.782 . 0 0 "[ . 1 . 2]" 1
305 1 25 LEU HA 1 28 HIS HB2 5.000 . 6.500 3.625 2.667 4.415 . 0 0 "[ . 1 . 2]" 1
306 1 25 LEU HA 1 28 HIS HB3 5.000 . 6.500 2.952 2.294 3.441 . 0 0 "[ . 1 . 2]" 1
307 1 25 LEU HA 1 29 VAL H 5.000 . 6.500 4.067 3.922 4.497 . 0 0 "[ . 1 . 2]" 1
308 1 25 LEU HA 1 58 LEU MD1 5.000 . 6.500 4.416 3.355 5.293 . 0 0 "[ . 1 . 2]" 1
309 1 25 LEU HA 1 58 LEU MD2 5.000 . 6.500 2.579 1.845 3.363 . 0 0 "[ . 1 . 2]" 1
310 1 25 LEU QB 1 58 LEU MD1 5.000 . 6.500 4.916 3.461 5.695 . 0 0 "[ . 1 . 2]" 1
311 1 25 LEU QB 1 58 LEU MD2 5.000 . 6.500 2.672 1.689 3.379 0.111 14 0 "[ . 1 . 2]" 1
312 1 25 LEU QB 1 62 THR H 5.000 . 6.500 4.979 4.150 5.990 . 0 0 "[ . 1 . 2]" 1
313 1 25 LEU HB2 1 26 ALA H 5.000 . 6.500 3.714 3.619 3.884 . 0 0 "[ . 1 . 2]" 1
314 1 25 LEU HB2 1 58 LEU HA 5.000 . 6.500 3.164 2.069 4.422 . 0 0 "[ . 1 . 2]" 1
315 1 25 LEU HB2 1 61 THR HB 5.000 . 6.500 3.476 2.533 4.696 . 0 0 "[ . 1 . 2]" 1
316 1 25 LEU HB2 1 61 THR MG 5.000 . 6.500 3.176 2.429 4.858 . 0 0 "[ . 1 . 2]" 1
317 1 25 LEU HB3 1 26 ALA H 5.000 . 6.500 2.420 2.217 2.667 . 0 0 "[ . 1 . 2]" 1
318 1 25 LEU HB3 1 58 LEU HA 5.000 . 6.500 4.690 3.746 5.842 . 0 0 "[ . 1 . 2]" 1
319 1 25 LEU HB3 1 61 THR HB 5.000 . 6.500 4.018 3.099 4.836 . 0 0 "[ . 1 . 2]" 1
320 1 25 LEU HB3 1 61 THR MG 5.000 . 6.500 2.781 2.042 4.170 . 0 0 "[ . 1 . 2]" 1
321 1 25 LEU QD 1 26 ALA H 5.000 . 6.500 3.133 2.922 3.327 . 0 0 "[ . 1 . 2]" 1
322 1 25 LEU QD 1 26 ALA HA 5.000 . 6.500 2.907 2.727 3.106 . 0 0 "[ . 1 . 2]" 1
323 1 25 LEU QD 1 28 HIS H 5.000 . 6.500 4.064 3.708 4.336 . 0 0 "[ . 1 . 2]" 1
324 1 25 LEU QD 1 28 HIS HD2 5.000 . 6.500 4.156 2.850 6.690 0.190 4 0 "[ . 1 . 2]" 1
325 1 25 LEU QD 1 29 VAL H 5.000 . 6.500 3.285 2.974 3.488 . 0 0 "[ . 1 . 2]" 1
326 1 25 LEU QD 1 29 VAL HB 5.000 . 6.500 4.056 3.709 4.291 . 0 0 "[ . 1 . 2]" 1
327 1 25 LEU QD 1 58 LEU HA 5.000 . 6.500 2.531 1.770 3.623 0.030 6 0 "[ . 1 . 2]" 1
328 1 25 LEU QD 1 58 LEU MD1 5.000 . 6.500 3.339 2.158 4.127 . 0 0 "[ . 1 . 2]" 1
329 1 25 LEU QD 1 58 LEU MD2 5.000 . 6.500 2.167 1.806 2.614 . 0 0 "[ . 1 . 2]" 1
330 1 25 LEU QD 1 61 THR H 5.000 . 6.500 5.029 4.595 5.723 . 0 0 "[ . 1 . 2]" 1
331 1 25 LEU QD 1 62 THR H 5.000 . 6.500 3.911 3.263 4.506 . 0 0 "[ . 1 . 2]" 1
332 1 25 LEU QD 1 62 THR HA 5.000 . 6.500 3.742 3.031 4.819 . 0 0 "[ . 1 . 2]" 1
333 1 25 LEU MD1 1 28 HIS HB2 5.000 . 6.500 5.556 4.966 6.181 . 0 0 "[ . 1 . 2]" 1
334 1 25 LEU MD1 1 28 HIS HB3 5.000 . 6.500 4.341 3.563 4.911 . 0 0 "[ . 1 . 2]" 1
335 1 25 LEU MD1 1 29 VAL H 5.000 . 6.500 3.602 3.258 3.820 . 0 0 "[ . 1 . 2]" 1
336 1 25 LEU MD1 1 29 VAL QG 5.000 . 6.500 2.037 1.887 2.261 . 0 0 "[ . 1 . 2]" 1
337 1 25 LEU MD1 1 53 TYR QD 5.000 . 6.500 5.869 4.745 7.371 0.871 5 1 "[ + 1 . 2]" 1
338 1 25 LEU MD1 1 53 TYR QE 5.000 . 6.500 5.118 3.734 7.178 0.678 5 2 "[ + 1 - . 2]" 1
339 1 25 LEU MD1 1 58 LEU QB 5.000 . 6.500 4.911 4.203 5.621 . 0 0 "[ . 1 . 2]" 1
340 1 25 LEU MD2 1 28 HIS HB2 5.000 . 6.500 4.301 3.388 5.038 . 0 0 "[ . 1 . 2]" 1
341 1 25 LEU MD2 1 28 HIS HB3 5.000 . 6.500 3.108 2.153 3.760 . 0 0 "[ . 1 . 2]" 1
342 1 25 LEU MD2 1 29 VAL QG 5.000 . 6.500 2.452 2.030 3.167 . 0 0 "[ . 1 . 2]" 1
343 1 25 LEU MD2 1 53 TYR QD 5.000 . 6.500 3.968 2.859 5.626 . 0 0 "[ . 1 . 2]" 1
344 1 25 LEU MD2 1 53 TYR QE 5.000 . 6.500 3.606 2.115 5.698 . 0 0 "[ . 1 . 2]" 1
345 1 25 LEU MD2 1 58 LEU QB 5.000 . 6.500 2.468 1.921 3.223 . 0 0 "[ . 1 . 2]" 1
346 1 25 LEU MD2 1 62 THR H 5.000 . 6.500 4.363 3.633 5.340 . 0 0 "[ . 1 . 2]" 1
347 1 25 LEU HG 1 26 ALA H 5.000 . 6.500 4.781 4.545 5.016 . 0 0 "[ . 1 . 2]" 1
348 1 25 LEU HG 1 61 THR H 5.000 . 6.500 5.097 4.264 5.771 . 0 0 "[ . 1 . 2]" 1
349 1 25 LEU HG 1 61 THR HB 5.000 . 6.500 2.813 2.142 3.959 . 0 0 "[ . 1 . 2]" 1
350 1 25 LEU HG 1 62 THR H 5.000 . 6.500 3.773 2.988 4.546 . 0 0 "[ . 1 . 2]" 1
351 1 26 ALA H 1 27 GLU H 5.000 . 6.500 2.840 2.718 3.073 . 0 0 "[ . 1 . 2]" 1
352 1 26 ALA HA 1 27 GLU H 5.000 . 6.500 3.558 3.503 3.608 . 0 0 "[ . 1 . 2]" 1
353 1 26 ALA HA 1 29 VAL H 5.000 . 6.500 3.755 3.328 3.971 . 0 0 "[ . 1 . 2]" 1
354 1 26 ALA HA 1 29 VAL HB 5.000 . 6.500 5.044 4.777 5.491 . 0 0 "[ . 1 . 2]" 1
355 1 26 ALA HA 1 29 VAL MG1 5.000 . 6.500 3.767 3.323 4.227 . 0 0 "[ . 1 . 2]" 1
356 1 26 ALA HA 1 29 VAL MG2 5.000 . 6.500 2.131 1.924 2.485 . 0 0 "[ . 1 . 2]" 1
357 1 26 ALA HA 1 30 SER H 5.000 . 6.500 4.269 3.890 4.661 . 0 0 "[ . 1 . 2]" 1
358 1 26 ALA MB 1 27 GLU H 5.000 . 6.500 2.473 2.216 2.717 . 0 0 "[ . 1 . 2]" 1
359 1 26 ALA MB 1 27 GLU HA 5.000 . 6.500 3.854 3.770 3.946 . 0 0 "[ . 1 . 2]" 1
360 1 26 ALA MB 1 27 GLU QB 5.000 . 6.500 3.862 3.581 4.328 . 0 0 "[ . 1 . 2]" 1
361 1 26 ALA MB 1 28 HIS H 5.000 . 6.500 4.498 4.110 4.852 . 0 0 "[ . 1 . 2]" 1
362 1 26 ALA MB 1 29 VAL QG 5.000 . 6.500 3.371 3.119 3.653 . 0 0 "[ . 1 . 2]" 1
363 1 26 ALA MB 1 30 SER H 5.000 . 6.500 4.832 4.559 5.218 . 0 0 "[ . 1 . 2]" 1
364 1 27 GLU H 1 27 GLU QB 2.900 . 3.770 2.295 2.192 2.533 . 0 0 "[ . 1 . 2]" 1
365 1 27 GLU HA 1 28 HIS H 5.000 . 6.500 3.529 3.368 3.587 . 0 0 "[ . 1 . 2]" 1
366 1 27 GLU HA 1 30 SER H 5.000 . 6.500 3.586 3.167 4.032 . 0 0 "[ . 1 . 2]" 1
367 1 27 GLU HA 1 30 SER QB 3.500 . 4.550 2.624 2.024 3.117 . 0 0 "[ . 1 . 2]" 1
368 1 27 GLU HA 1 31 GLU H 5.000 . 6.500 4.639 3.802 5.532 . 0 0 "[ . 1 . 2]" 1
369 1 27 GLU QB 1 28 HIS H 3.500 . 4.550 2.712 2.341 3.594 . 0 0 "[ . 1 . 2]" 1
370 1 27 GLU QB 1 28 HIS HA 5.000 . 6.500 4.125 3.916 4.396 . 0 0 "[ . 1 . 2]" 1
371 1 27 GLU QG 1 28 HIS H 5.000 . 6.500 3.753 2.386 4.369 . 0 0 "[ . 1 . 2]" 1
372 1 27 GLU QG 1 30 SER HB2 5.000 . 6.500 5.218 4.482 6.260 . 0 0 "[ . 1 . 2]" 1
373 1 27 GLU QG 1 30 SER HB3 5.000 . 6.500 4.126 3.401 5.188 . 0 0 "[ . 1 . 2]" 1
374 1 28 HIS H 1 29 VAL H 5.000 . 6.500 2.679 2.393 2.872 . 0 0 "[ . 1 . 2]" 1
375 1 28 HIS H 1 29 VAL QG 5.000 . 6.500 3.609 3.349 3.747 . 0 0 "[ . 1 . 2]" 1
376 1 28 HIS H 1 31 GLU H 5.000 . 6.500 4.820 4.422 5.434 . 0 0 "[ . 1 . 2]" 1
377 1 28 HIS HA 1 28 HIS HD2 5.000 . 6.500 4.148 2.938 4.774 . 0 0 "[ . 1 . 2]" 1
378 1 28 HIS HA 1 29 VAL H 5.000 . 6.500 3.575 3.535 3.599 . 0 0 "[ . 1 . 2]" 1
379 1 28 HIS HA 1 31 GLU H 5.000 . 6.500 3.417 3.100 3.862 . 0 0 "[ . 1 . 2]" 1
380 1 28 HIS HA 1 31 GLU HB2 5.000 . 6.500 3.264 2.333 6.145 . 0 0 "[ . 1 . 2]" 1
381 1 28 HIS HA 1 31 GLU HB3 5.000 . 6.500 3.333 2.360 4.978 . 0 0 "[ . 1 . 2]" 1
382 1 28 HIS QB 1 53 TYR QE 5.000 . 6.500 4.399 3.041 5.525 . 0 0 "[ . 1 . 2]" 1
383 1 28 HIS HB2 1 29 VAL H 5.000 . 6.500 3.888 3.727 4.052 . 0 0 "[ . 1 . 2]" 1
384 1 28 HIS HB2 1 29 VAL MG1 5.000 . 6.500 4.759 4.600 4.924 . 0 0 "[ . 1 . 2]" 1
385 1 28 HIS HB2 1 29 VAL MG2 5.000 . 6.500 5.422 5.206 5.620 . 0 0 "[ . 1 . 2]" 1
386 1 28 HIS HB2 1 58 LEU MD1 5.000 . 6.500 4.637 3.349 6.131 . 0 0 "[ . 1 . 2]" 1
387 1 28 HIS HB2 1 58 LEU MD2 5.000 . 6.500 3.996 2.707 5.548 . 0 0 "[ . 1 . 2]" 1
388 1 28 HIS HB3 1 29 VAL H 5.000 . 6.500 2.672 2.459 2.918 . 0 0 "[ . 1 . 2]" 1
389 1 28 HIS HB3 1 29 VAL MG1 5.000 . 6.500 3.260 3.099 3.436 . 0 0 "[ . 1 . 2]" 1
390 1 28 HIS HB3 1 29 VAL MG2 5.000 . 6.500 4.327 4.094 4.548 . 0 0 "[ . 1 . 2]" 1
391 1 28 HIS HB3 1 58 LEU MD1 5.000 . 6.500 4.540 3.271 5.933 . 0 0 "[ . 1 . 2]" 1
392 1 28 HIS HB3 1 58 LEU MD2 5.000 . 6.500 3.833 2.473 5.093 . 0 0 "[ . 1 . 2]" 1
393 1 28 HIS HD2 1 29 VAL H 5.000 . 6.500 4.425 3.569 6.198 . 0 0 "[ . 1 . 2]" 1
394 1 28 HIS HD2 1 29 VAL MG1 5.000 . 6.500 3.894 2.812 6.524 0.024 19 0 "[ . 1 . 2]" 1
395 1 28 HIS HD2 1 29 VAL MG2 5.000 . 6.500 5.649 4.780 7.447 0.947 19 2 "[ -. 1 . +2]" 1
396 1 28 HIS HD2 1 58 LEU QD 5.000 . 6.500 4.120 2.734 5.434 . 0 0 "[ . 1 . 2]" 1
397 1 29 VAL H 1 29 VAL HB 3.500 . 4.550 3.672 3.649 3.688 . 0 0 "[ . 1 . 2]" 1
398 1 29 VAL H 1 30 SER H 3.500 . 4.550 2.563 2.400 2.713 . 0 0 "[ . 1 . 2]" 1
399 1 29 VAL H 1 30 SER QB 5.000 . 6.500 4.356 4.188 4.497 . 0 0 "[ . 1 . 2]" 1
400 1 29 VAL H 1 31 GLU H 5.000 . 6.500 4.007 3.634 4.271 . 0 0 "[ . 1 . 2]" 1
401 1 29 VAL H 1 32 ASP H 5.000 . 6.500 5.334 4.419 7.377 0.877 2 1 "[ + . 1 . 2]" 1
402 1 29 VAL HA 1 30 SER H 5.000 . 6.500 3.493 3.453 3.533 . 0 0 "[ . 1 . 2]" 1
403 1 29 VAL HA 1 31 GLU H 5.000 . 6.500 3.866 3.495 4.563 . 0 0 "[ . 1 . 2]" 1
404 1 29 VAL HA 1 32 ASP H 5.000 . 6.500 3.705 2.745 6.947 0.447 2 0 "[ . 1 . 2]" 1
405 1 29 VAL HA 1 32 ASP HB2 5.000 . 6.500 3.985 1.735 6.606 0.106 13 0 "[ . 1 . 2]" 1
406 1 29 VAL HA 1 32 ASP HB3 5.000 . 6.500 3.930 2.015 6.496 . 0 0 "[ . 1 . 2]" 1
407 1 29 VAL HB 1 30 SER H 5.000 . 6.500 3.966 3.835 4.047 . 0 0 "[ . 1 . 2]" 1
408 1 29 VAL HB 1 30 SER HB2 5.000 . 6.500 5.671 5.202 5.986 . 0 0 "[ . 1 . 2]" 1
409 1 29 VAL HB 1 30 SER HB3 5.000 . 6.500 6.289 6.115 6.412 . 0 0 "[ . 1 . 2]" 1
410 1 29 VAL QG 1 32 ASP H 5.000 . 6.500 4.795 4.194 6.981 0.481 2 0 "[ . 1 . 2]" 1
411 1 29 VAL QG 1 49 VAL QG 5.000 . 6.500 3.892 3.164 4.599 . 0 0 "[ . 1 . 2]" 1
412 1 29 VAL QG 1 53 TYR QE 5.000 . 6.500 3.802 2.739 5.630 . 0 0 "[ . 1 . 2]" 1
413 1 29 VAL MG1 1 30 SER H 5.000 . 6.500 4.008 3.953 4.068 . 0 0 "[ . 1 . 2]" 1
414 1 29 VAL MG1 1 30 SER HA 5.000 . 6.500 5.561 5.514 5.590 . 0 0 "[ . 1 . 2]" 1
415 1 29 VAL MG1 1 53 TYR QE 5.000 . 6.500 3.846 2.749 5.771 . 0 0 "[ . 1 . 2]" 1
416 1 29 VAL MG2 1 30 SER H 5.000 . 6.500 2.369 2.185 2.516 . 0 0 "[ . 1 . 2]" 1
417 1 29 VAL MG2 1 30 SER HA 5.000 . 6.500 3.440 3.296 3.642 . 0 0 "[ . 1 . 2]" 1
418 1 30 SER H 1 30 SER HB3 3.500 . 4.550 2.511 2.410 2.592 . 0 0 "[ . 1 . 2]" 1
419 1 30 SER H 1 31 GLU H 3.500 . 4.550 2.578 2.479 2.718 . 0 0 "[ . 1 . 2]" 1
420 1 30 SER H 1 31 GLU QB 5.000 . 6.500 4.344 3.897 4.866 . 0 0 "[ . 1 . 2]" 1
421 1 30 SER H 1 32 ASP H 5.000 . 6.500 4.509 3.873 6.569 0.069 2 0 "[ . 1 . 2]" 1
422 1 30 SER HA 1 31 GLU H 5.000 . 6.500 3.433 3.010 3.554 . 0 0 "[ . 1 . 2]" 1
423 1 30 SER HB2 1 31 GLU H 5.000 . 6.500 4.116 3.851 4.528 . 0 0 "[ . 1 . 2]" 1
424 1 30 SER HB3 1 31 GLU H 5.000 . 6.500 3.027 2.478 3.971 . 0 0 "[ . 1 . 2]" 1
425 1 31 GLU H 1 31 GLU HB2 3.500 . 4.550 2.631 2.443 3.283 . 0 0 "[ . 1 . 2]" 1
426 1 31 GLU H 1 31 GLU HB3 3.500 . 4.550 2.654 2.271 3.667 . 0 0 "[ . 1 . 2]" 1
427 1 31 GLU H 1 31 GLU HG2 5.000 . 6.500 4.249 2.454 4.635 . 0 0 "[ . 1 . 2]" 1
428 1 31 GLU H 1 31 GLU HG3 5.000 . 6.500 4.275 2.149 4.830 . 0 0 "[ . 1 . 2]" 1
429 1 31 GLU H 1 32 ASP H 3.500 . 4.550 2.737 2.319 4.203 . 0 0 "[ . 1 . 2]" 1
430 1 31 GLU H 1 32 ASP QB 5.000 . 6.500 4.401 4.048 4.795 . 0 0 "[ . 1 . 2]" 1
431 1 31 GLU HA 1 32 ASP H 5.000 . 6.500 3.436 2.337 3.600 . 0 0 "[ . 1 . 2]" 1
432 1 31 GLU HB2 1 32 ASP H 5.000 . 6.500 3.796 2.408 4.651 . 0 0 "[ . 1 . 2]" 1
433 1 31 GLU HB3 1 32 ASP H 5.000 . 6.500 2.834 1.820 4.479 . 0 0 "[ . 1 . 2]" 1
434 1 31 GLU HG2 1 32 ASP H 5.000 . 6.500 4.073 3.042 5.312 . 0 0 "[ . 1 . 2]" 1
435 1 31 GLU HG3 1 32 ASP H 5.000 . 6.500 4.611 3.856 5.181 . 0 0 "[ . 1 . 2]" 1
436 1 32 ASP H 1 32 ASP HB2 3.500 . 4.550 2.708 2.332 3.641 . 0 0 "[ . 1 . 2]" 1
437 1 32 ASP H 1 32 ASP HB3 3.500 . 4.550 2.836 2.395 3.611 . 0 0 "[ . 1 . 2]" 1
438 1 32 ASP H 1 33 LYS H 5.000 . 6.500 3.694 2.215 4.632 . 0 0 "[ . 1 . 2]" 1
439 1 32 ASP HA 1 33 LYS H 3.500 . 4.550 2.909 2.190 3.577 . 0 0 "[ . 1 . 2]" 1
440 1 32 ASP HA 1 34 ALA H 5.000 . 6.500 4.111 2.757 5.570 . 0 0 "[ . 1 . 2]" 1
441 1 32 ASP QB 1 35 PHE H 5.000 . 6.500 5.077 3.888 6.253 . 0 0 "[ . 1 . 2]" 1
442 1 32 ASP HB2 1 33 LYS H 5.000 . 6.500 3.826 2.923 4.605 . 0 0 "[ . 1 . 2]" 1
443 1 32 ASP HB3 1 33 LYS H 5.000 . 6.500 3.456 1.976 4.498 . 0 0 "[ . 1 . 2]" 1
444 1 33 LYS H 1 33 LYS QD 5.000 . 6.500 4.170 3.542 5.228 . 0 0 "[ . 1 . 2]" 1
445 1 33 LYS H 1 33 LYS HG2 5.000 . 6.500 3.388 1.964 4.628 . 0 0 "[ . 1 . 2]" 1
446 1 33 LYS H 1 33 LYS HG3 5.000 . 6.500 3.351 2.057 4.576 . 0 0 "[ . 1 . 2]" 1
447 1 33 LYS H 1 34 ALA H 3.500 . 4.550 2.562 1.867 3.206 . 0 0 "[ . 1 . 2]" 1
448 1 33 LYS H 1 35 PHE H 5.000 . 6.500 4.500 3.141 7.049 0.549 10 1 "[ . + . 2]" 1
449 1 33 LYS HA 1 34 ALA H 5.000 . 6.500 3.416 2.928 3.561 . 0 0 "[ . 1 . 2]" 1
450 1 33 LYS HA 1 35 PHE H 5.000 . 6.500 4.339 3.365 6.865 0.365 10 0 "[ . 1 . 2]" 1
451 1 33 LYS QB 1 34 ALA H 5.000 . 6.500 3.140 2.209 4.063 . 0 0 "[ . 1 . 2]" 1
452 1 33 LYS QB 1 35 PHE H 5.000 . 6.500 3.938 2.335 5.752 . 0 0 "[ . 1 . 2]" 1
453 1 33 LYS HG2 1 34 ALA H 5.000 . 6.500 4.429 2.486 5.252 . 0 0 "[ . 1 . 2]" 1
454 1 33 LYS HG3 1 34 ALA H 5.000 . 6.500 4.154 2.308 5.279 . 0 0 "[ . 1 . 2]" 1
455 1 34 ALA H 1 35 PHE H 2.900 . 3.770 2.696 1.893 4.074 0.304 10 0 "[ . 1 . 2]" 1
456 1 34 ALA H 1 35 PHE QB 5.000 . 6.500 4.506 3.596 5.023 . 0 0 "[ . 1 . 2]" 1
457 1 34 ALA HA 1 35 PHE H 5.000 . 6.500 3.132 2.188 3.543 . 0 0 "[ . 1 . 2]" 1
458 1 34 ALA MB 1 35 PHE H 5.000 . 6.500 3.301 2.634 3.734 . 0 0 "[ . 1 . 2]" 1
459 1 34 ALA MB 1 35 PHE HA 5.000 . 6.500 4.149 4.013 4.275 . 0 0 "[ . 1 . 2]" 1
460 1 35 PHE H 1 35 PHE QB 3.500 . 4.550 2.446 2.254 2.792 . 0 0 "[ . 1 . 2]" 1
461 1 35 PHE H 1 36 PRO HD2 5.000 . 6.500 4.977 4.697 5.291 . 0 0 "[ . 1 . 2]" 1
462 1 35 PHE H 1 36 PRO HD3 5.000 . 6.500 4.492 3.390 5.192 . 0 0 "[ . 1 . 2]" 1
463 1 35 PHE HA 1 36 PRO HD2 5.000 . 6.500 2.369 2.025 2.650 . 0 0 "[ . 1 . 2]" 1
464 1 35 PHE HA 1 36 PRO HD3 5.000 . 6.500 2.252 1.926 2.647 . 0 0 "[ . 1 . 2]" 1
465 1 35 PHE HA 1 36 PRO QG 5.000 . 6.500 3.913 3.789 4.101 . 0 0 "[ . 1 . 2]" 1
466 1 35 PHE QB 1 36 PRO HD2 5.000 . 6.500 3.580 2.086 4.282 . 0 0 "[ . 1 . 2]" 1
467 1 35 PHE QB 1 36 PRO HD3 5.000 . 6.500 4.105 3.595 4.513 . 0 0 "[ . 1 . 2]" 1
468 1 35 PHE QB 1 37 ARG H 5.000 . 6.500 4.987 3.983 6.208 . 0 0 "[ . 1 . 2]" 1
469 1 35 PHE QB 1 37 ARG QD 5.000 . 6.500 3.936 2.098 5.999 . 0 0 "[ . 1 . 2]" 1
470 1 35 PHE QB 1 37 ARG QG 5.000 . 6.500 3.841 2.821 6.198 . 0 0 "[ . 1 . 2]" 1
471 1 35 PHE QD 1 36 PRO HD2 5.000 . 6.500 3.286 2.587 4.643 . 0 0 "[ . 1 . 2]" 1
472 1 35 PHE QD 1 36 PRO HD3 5.000 . 6.500 4.091 3.411 4.882 . 0 0 "[ . 1 . 2]" 1
473 1 35 PHE QD 1 37 ARG HA 5.000 . 6.500 5.168 3.222 7.302 0.802 19 2 "[ . 1 . +-]" 1
474 1 35 PHE QD 1 37 ARG QG 5.000 . 6.500 4.143 1.786 7.182 0.682 9 1 "[ . +1 . 2]" 1
475 1 36 PRO HA 1 37 ARG H 3.500 . 4.550 2.245 2.175 2.415 . 0 0 "[ . 1 . 2]" 1
476 1 36 PRO HB2 1 37 ARG H 5.000 . 6.500 4.050 3.089 4.382 . 0 0 "[ . 1 . 2]" 1
477 1 36 PRO HB3 1 37 ARG H 5.000 . 6.500 4.097 3.354 4.569 . 0 0 "[ . 1 . 2]" 1
478 1 37 ARG H 1 37 ARG HD2 5.000 . 6.500 4.596 3.663 5.888 . 0 0 "[ . 1 . 2]" 1
479 1 37 ARG H 1 37 ARG HD3 5.000 . 6.500 4.353 2.247 5.350 . 0 0 "[ . 1 . 2]" 1
480 1 37 ARG H 1 37 ARG HG2 5.000 . 6.500 3.448 2.159 4.500 . 0 0 "[ . 1 . 2]" 1
481 1 37 ARG H 1 37 ARG HG3 5.000 . 6.500 3.333 2.285 4.676 . 0 0 "[ . 1 . 2]" 1
482 1 37 ARG H 1 38 LEU H 5.000 . 6.500 2.545 1.968 3.249 . 0 0 "[ . 1 . 2]" 1
483 1 37 ARG H 1 39 GLU H 5.000 . 6.500 4.351 2.780 6.338 . 0 0 "[ . 1 . 2]" 1
484 1 37 ARG HA 1 37 ARG HD2 5.000 . 6.500 3.924 2.115 5.065 . 0 0 "[ . 1 . 2]" 1
485 1 37 ARG HA 1 37 ARG HD3 5.000 . 6.500 4.099 1.831 4.860 . 0 0 "[ . 1 . 2]" 1
486 1 37 ARG HA 1 38 LEU H 5.000 . 6.500 3.535 3.279 3.615 . 0 0 "[ . 1 . 2]" 1
487 1 37 ARG QB 1 39 GLU QB 5.000 . 6.500 4.501 2.886 6.938 0.438 16 0 "[ . 1 . 2]" 1
488 1 37 ARG HB2 1 38 LEU H 5.000 . 6.500 2.549 1.822 3.709 . 0 0 "[ . 1 . 2]" 1
489 1 37 ARG HB2 1 38 LEU QD 5.000 . 6.500 4.393 2.626 6.018 . 0 0 "[ . 1 . 2]" 1
490 1 37 ARG HB2 1 39 GLU H 5.000 . 6.500 4.166 2.941 6.392 . 0 0 "[ . 1 . 2]" 1
491 1 37 ARG HB3 1 38 LEU H 5.000 . 6.500 3.264 2.227 4.252 . 0 0 "[ . 1 . 2]" 1
492 1 37 ARG HB3 1 38 LEU QD 5.000 . 6.500 4.473 2.122 5.363 . 0 0 "[ . 1 . 2]" 1
493 1 37 ARG HB3 1 39 GLU H 5.000 . 6.500 4.490 2.742 6.496 . 0 0 "[ . 1 . 2]" 1
494 1 37 ARG QG 1 38 LEU H 5.000 . 6.500 3.924 2.851 4.847 . 0 0 "[ . 1 . 2]" 1
495 1 38 LEU H 1 38 LEU QB 3.500 . 4.550 3.060 2.571 3.407 . 0 0 "[ . 1 . 2]" 1
496 1 38 LEU H 1 38 LEU MD2 5.000 . 6.500 4.005 2.071 5.037 . 0 0 "[ . 1 . 2]" 1
497 1 38 LEU H 1 38 LEU HG 5.000 . 6.500 3.981 2.554 5.311 . 0 0 "[ . 1 . 2]" 1
498 1 38 LEU H 1 39 GLU H 3.500 . 4.550 2.713 1.646 4.069 0.154 19 0 "[ . 1 . 2]" 1
499 1 38 LEU H 1 39 GLU QB 5.000 . 6.500 4.546 3.414 5.362 . 0 0 "[ . 1 . 2]" 1
500 1 38 LEU HA 1 39 GLU H 5.000 . 6.500 2.823 2.174 3.548 . 0 0 "[ . 1 . 2]" 1
501 1 38 LEU HA 1 40 GLU H 5.000 . 6.500 3.910 3.211 5.086 . 0 0 "[ . 1 . 2]" 1
502 1 38 LEU QB 1 39 GLU H 5.000 . 6.500 3.640 1.987 4.033 . 0 0 "[ . 1 . 2]" 1
503 1 38 LEU QD 1 39 GLU H 5.000 . 6.500 3.922 2.840 4.471 . 0 0 "[ . 1 . 2]" 1
504 1 39 GLU H 1 40 GLU H 5.000 . 6.500 3.095 2.424 4.065 . 0 0 "[ . 1 . 2]" 1
505 1 39 GLU H 1 45 ILE MD 5.000 . 6.500 5.345 4.132 7.190 0.690 2 1 "[ + . 1 . 2]" 1
506 1 39 GLU HA 1 40 GLU H 3.500 . 4.550 3.022 2.157 3.580 . 0 0 "[ . 1 . 2]" 1
507 1 39 GLU HA 1 41 ARG H 5.000 . 6.500 3.884 2.803 4.628 . 0 0 "[ . 1 . 2]" 1
508 1 39 GLU QB 1 40 GLU H 5.000 . 6.500 3.425 1.980 4.021 . 0 0 "[ . 1 . 2]" 1
509 1 39 GLU QB 1 45 ILE MD 5.000 . 6.500 3.046 1.678 5.079 0.122 17 0 "[ . 1 . 2]" 1
510 1 39 GLU QG 1 40 GLU H 5.000 . 6.500 4.288 1.853 4.979 . 0 0 "[ . 1 . 2]" 1
511 1 39 GLU QG 1 41 ARG H 5.000 . 6.500 5.477 3.427 6.751 0.251 20 0 "[ . 1 . 2]" 1
512 1 39 GLU QG 1 44 VAL QG 5.000 . 6.500 3.534 2.184 5.531 . 0 0 "[ . 1 . 2]" 1
513 1 39 GLU QG 1 45 ILE H 5.000 . 6.500 5.441 4.164 7.695 1.195 16 2 "[ - . 1 .+ 2]" 1
514 1 39 GLU QG 1 45 ILE MD 5.000 . 6.500 3.455 1.885 5.098 . 0 0 "[ . 1 . 2]" 1
515 1 39 GLU QG 1 45 ILE HG12 5.000 . 6.500 3.885 2.418 6.247 . 0 0 "[ . 1 . 2]" 1
516 1 39 GLU QG 1 45 ILE HG13 5.000 . 6.500 4.453 3.113 6.082 . 0 0 "[ . 1 . 2]" 1
517 1 40 GLU H 1 41 ARG H 3.500 . 4.550 2.964 2.066 3.939 . 0 0 "[ . 1 . 2]" 1
518 1 40 GLU H 1 41 ARG HA 5.000 . 6.500 5.340 4.677 6.002 . 0 0 "[ . 1 . 2]" 1
519 1 40 GLU H 1 41 ARG QB 5.000 . 6.500 4.970 4.045 6.070 . 0 0 "[ . 1 . 2]" 1
520 1 40 GLU H 1 41 ARG QG 5.000 . 6.500 4.912 3.780 5.818 . 0 0 "[ . 1 . 2]" 1
521 1 40 GLU HA 1 41 ARG H 5.000 . 6.500 3.532 3.323 3.603 . 0 0 "[ . 1 . 2]" 1
522 1 40 GLU QB 1 41 ARG QG 5.000 . 6.500 3.264 2.554 4.561 . 0 0 "[ . 1 . 2]" 1
523 1 40 GLU HB2 1 41 ARG H 5.000 . 6.500 3.320 2.054 4.135 . 0 0 "[ . 1 . 2]" 1
524 1 40 GLU HB3 1 41 ARG H 5.000 . 6.500 3.147 2.000 4.275 . 0 0 "[ . 1 . 2]" 1
525 1 41 ARG H 1 41 ARG HD2 5.000 . 6.500 4.241 2.350 5.092 . 0 0 "[ . 1 . 2]" 1
526 1 41 ARG H 1 41 ARG HD3 5.000 . 6.500 4.205 2.523 5.394 . 0 0 "[ . 1 . 2]" 1
527 1 41 ARG H 1 44 VAL QG 5.000 . 6.500 3.288 2.599 4.133 . 0 0 "[ . 1 . 2]" 1
528 1 41 ARG HA 1 42 HIS H 5.000 . 6.500 2.314 2.133 3.274 . 0 0 "[ . 1 . 2]" 1
529 1 41 ARG QB 1 44 VAL MG1 5.000 . 6.500 2.659 1.723 3.326 0.077 15 0 "[ . 1 . 2]" 1
530 1 41 ARG QB 1 44 VAL MG2 5.000 . 6.500 2.792 1.735 4.110 0.065 12 0 "[ . 1 . 2]" 1
531 1 41 ARG QB 1 45 ILE H 5.000 . 6.500 4.866 3.852 5.991 . 0 0 "[ . 1 . 2]" 1
532 1 41 ARG HB2 1 42 HIS H 5.000 . 6.500 4.040 3.119 4.574 . 0 0 "[ . 1 . 2]" 1
533 1 41 ARG HB2 1 44 VAL H 5.000 . 6.500 3.509 2.757 4.187 . 0 0 "[ . 1 . 2]" 1
534 1 41 ARG HB3 1 42 HIS H 5.000 . 6.500 3.228 1.894 4.192 . 0 0 "[ . 1 . 2]" 1
535 1 41 ARG HB3 1 44 VAL H 5.000 . 6.500 3.629 2.549 4.727 . 0 0 "[ . 1 . 2]" 1
536 1 41 ARG HD2 1 44 VAL QG 5.000 . 6.500 4.472 3.269 5.421 . 0 0 "[ . 1 . 2]" 1
537 1 41 ARG HD3 1 44 VAL QG 5.000 . 6.500 4.501 2.432 5.526 . 0 0 "[ . 1 . 2]" 1
538 1 41 ARG QG 1 42 HIS H 5.000 . 6.500 4.362 3.551 4.852 . 0 0 "[ . 1 . 2]" 1
539 1 41 ARG QG 1 44 VAL H 5.000 . 6.500 5.029 4.318 5.970 . 0 0 "[ . 1 . 2]" 1
540 1 41 ARG QG 1 44 VAL MG1 5.000 . 6.500 3.913 2.537 4.910 . 0 0 "[ . 1 . 2]" 1
541 1 41 ARG QG 1 44 VAL MG2 5.000 . 6.500 4.251 2.942 5.394 . 0 0 "[ . 1 . 2]" 1
542 1 42 HIS H 1 42 HIS HD2 5.000 . 6.500 4.256 2.532 5.213 . 0 0 "[ . 1 . 2]" 1
543 1 42 HIS H 1 44 VAL QG 5.000 . 6.500 4.241 3.097 4.690 . 0 0 "[ . 1 . 2]" 1
544 1 42 HIS H 1 45 ILE H 5.000 . 6.500 5.374 4.524 5.985 . 0 0 "[ . 1 . 2]" 1
545 1 42 HIS HA 1 42 HIS HD2 5.000 . 6.500 3.026 2.450 4.710 . 0 0 "[ . 1 . 2]" 1
546 1 42 HIS HA 1 43 GLN H 5.000 . 6.500 3.456 2.976 3.592 . 0 0 "[ . 1 . 2]" 1
547 1 42 HIS HA 1 44 VAL QG 5.000 . 6.500 3.918 2.855 4.851 . 0 0 "[ . 1 . 2]" 1
548 1 42 HIS HA 1 45 ILE H 5.000 . 6.500 3.726 3.146 4.568 . 0 0 "[ . 1 . 2]" 1
549 1 42 HIS HA 1 45 ILE HB 5.000 . 6.500 3.723 2.501 5.307 . 0 0 "[ . 1 . 2]" 1
550 1 42 HIS HA 1 45 ILE MD 5.000 . 6.500 2.973 1.864 4.951 . 0 0 "[ . 1 . 2]" 1
551 1 42 HIS HA 1 45 ILE HG12 5.000 . 6.500 3.942 2.324 5.566 . 0 0 "[ . 1 . 2]" 1
552 1 42 HIS HA 1 45 ILE HG13 5.000 . 6.500 2.942 2.401 4.004 . 0 0 "[ . 1 . 2]" 1
553 1 42 HIS HA 1 45 ILE MG 5.000 . 6.500 4.659 3.758 6.055 . 0 0 "[ . 1 . 2]" 1
554 1 42 HIS HA 1 46 ARG H 5.000 . 6.500 5.251 4.195 6.419 . 0 0 "[ . 1 . 2]" 1
555 1 42 HIS HA 1 66 ILE MG 5.000 . 6.500 4.302 3.222 5.674 . 0 0 "[ . 1 . 2]" 1
556 1 42 HIS QB 1 46 ARG H 5.000 . 6.500 5.391 4.043 6.585 0.085 12 0 "[ . 1 . 2]" 1
557 1 42 HIS HB2 1 43 GLN H 5.000 . 6.500 3.017 2.451 4.057 . 0 0 "[ . 1 . 2]" 1
558 1 42 HIS HB2 1 43 GLN QB 5.000 . 6.500 4.420 3.655 5.074 . 0 0 "[ . 1 . 2]" 1
559 1 42 HIS HB2 1 66 ILE MD 5.000 . 6.500 4.187 2.554 5.845 . 0 0 "[ . 1 . 2]" 1
560 1 42 HIS HB2 1 66 ILE MG 5.000 . 6.500 3.394 2.335 5.646 . 0 0 "[ . 1 . 2]" 1
561 1 42 HIS HB3 1 43 GLN H 5.000 . 6.500 3.943 3.429 4.518 . 0 0 "[ . 1 . 2]" 1
562 1 42 HIS HB3 1 43 GLN QB 5.000 . 6.500 5.302 4.358 5.927 . 0 0 "[ . 1 . 2]" 1
563 1 42 HIS HB3 1 66 ILE MD 5.000 . 6.500 2.999 1.660 4.965 0.140 19 0 "[ . 1 . 2]" 1
564 1 42 HIS HB3 1 66 ILE MG 5.000 . 6.500 2.716 1.728 4.942 0.072 5 0 "[ . 1 . 2]" 1
565 1 42 HIS HD2 1 65 ALA MB 5.000 . 6.500 7.081 3.582 9.894 3.394 14 10 "[ * *.** *** +*- 2]" 1
566 1 42 HIS HD2 1 66 ILE MG 5.000 . 6.500 5.039 3.715 7.061 0.561 11 1 "[ . 1+ . 2]" 1
567 1 43 GLN H 1 43 GLN HG2 5.000 . 6.500 4.333 3.209 4.696 . 0 0 "[ . 1 . 2]" 1
568 1 43 GLN H 1 43 GLN HG3 5.000 . 6.500 4.151 1.775 4.630 0.025 7 0 "[ . 1 . 2]" 1
569 1 43 GLN H 1 44 VAL H 5.000 . 6.500 2.758 2.336 2.950 . 0 0 "[ . 1 . 2]" 1
570 1 43 GLN H 1 44 VAL QG 5.000 . 6.500 3.615 3.064 3.864 . 0 0 "[ . 1 . 2]" 1
571 1 43 GLN H 1 66 ILE MG 5.000 . 6.500 4.391 3.601 5.211 . 0 0 "[ . 1 . 2]" 1
572 1 43 GLN HA 1 44 VAL H 5.000 . 6.500 3.553 3.421 3.593 . 0 0 "[ . 1 . 2]" 1
573 1 43 GLN HA 1 45 ILE H 5.000 . 6.500 4.213 3.820 4.488 . 0 0 "[ . 1 . 2]" 1
574 1 43 GLN HA 1 46 ARG H 5.000 . 6.500 3.809 3.250 4.380 . 0 0 "[ . 1 . 2]" 1
575 1 43 GLN HA 1 46 ARG QB 5.000 . 6.500 3.464 2.195 4.517 . 0 0 "[ . 1 . 2]" 1
576 1 43 GLN HA 1 47 ALA H 5.000 . 6.500 5.281 3.984 6.626 0.126 13 0 "[ . 1 . 2]" 1
577 1 43 GLN HA 1 66 ILE MG 5.000 . 6.500 3.180 2.334 4.369 . 0 0 "[ . 1 . 2]" 1
578 1 43 GLN QB 1 44 VAL HA 5.000 . 6.500 4.089 3.753 4.255 . 0 0 "[ . 1 . 2]" 1
579 1 43 GLN HB2 1 43 GLN HE22 5.000 . 6.500 4.344 3.471 5.089 . 0 0 "[ . 1 . 2]" 1
580 1 43 GLN HB2 1 44 VAL H 5.000 . 6.500 3.735 2.156 4.155 . 0 0 "[ . 1 . 2]" 1
581 1 43 GLN HB2 1 44 VAL MG1 5.000 . 6.500 4.595 3.034 5.272 . 0 0 "[ . 1 . 2]" 1
582 1 43 GLN HB2 1 44 VAL MG2 5.000 . 6.500 5.365 3.949 5.822 . 0 0 "[ . 1 . 2]" 1
583 1 43 GLN HB3 1 43 GLN HE22 5.000 . 6.500 4.297 3.322 5.319 . 0 0 "[ . 1 . 2]" 1
584 1 43 GLN HB3 1 44 VAL H 5.000 . 6.500 2.842 2.133 4.324 . 0 0 "[ . 1 . 2]" 1
585 1 43 GLN HB3 1 44 VAL MG1 5.000 . 6.500 3.511 2.888 5.448 . 0 0 "[ . 1 . 2]" 1
586 1 43 GLN HB3 1 44 VAL MG2 5.000 . 6.500 4.564 3.938 6.144 . 0 0 "[ . 1 . 2]" 1
587 1 43 GLN HG2 1 44 VAL H 5.000 . 6.500 4.203 3.385 5.088 . 0 0 "[ . 1 . 2]" 1
588 1 43 GLN HG3 1 44 VAL H 5.000 . 6.500 4.671 3.877 5.246 . 0 0 "[ . 1 . 2]" 1
589 1 44 VAL H 1 44 VAL HB 3.500 . 4.550 3.592 2.558 3.672 . 0 0 "[ . 1 . 2]" 1
590 1 44 VAL H 1 45 ILE H 3.500 . 4.550 2.707 2.471 2.871 . 0 0 "[ . 1 . 2]" 1
591 1 44 VAL H 1 45 ILE QG 5.000 . 6.500 3.988 3.716 4.211 . 0 0 "[ . 1 . 2]" 1
592 1 44 VAL H 1 47 ALA MB 5.000 . 6.500 5.254 4.632 6.442 . 0 0 "[ . 1 . 2]" 1
593 1 44 VAL HA 1 45 ILE H 5.000 . 6.500 3.503 3.427 3.556 . 0 0 "[ . 1 . 2]" 1
594 1 44 VAL HA 1 47 ALA H 5.000 . 6.500 3.429 3.110 4.257 . 0 0 "[ . 1 . 2]" 1
595 1 44 VAL HA 1 47 ALA MB 5.000 . 6.500 2.993 2.373 4.248 . 0 0 "[ . 1 . 2]" 1
596 1 44 VAL HB 1 45 ILE H 5.000 . 6.500 3.930 3.617 4.136 . 0 0 "[ . 1 . 2]" 1
597 1 44 VAL QG 1 45 ILE H 5.000 . 6.500 2.301 1.925 2.603 . 0 0 "[ . 1 . 2]" 1
598 1 44 VAL QG 1 46 ARG H 5.000 . 6.500 4.316 4.063 4.553 . 0 0 "[ . 1 . 2]" 1
599 1 44 VAL QG 1 47 ALA MB 5.000 . 6.500 3.868 3.413 4.634 . 0 0 "[ . 1 . 2]" 1
600 1 44 VAL MG1 1 45 ILE HA 5.000 . 6.500 5.391 3.315 5.564 . 0 0 "[ . 1 . 2]" 1
601 1 44 VAL MG2 1 45 ILE HA 5.000 . 6.500 3.260 3.071 3.707 . 0 0 "[ . 1 . 2]" 1
602 1 45 ILE H 1 45 ILE HB 3.500 . 4.550 2.593 2.506 2.657 . 0 0 "[ . 1 . 2]" 1
603 1 45 ILE H 1 45 ILE MD 5.000 . 6.500 3.440 3.045 3.605 . 0 0 "[ . 1 . 2]" 1
604 1 45 ILE H 1 45 ILE HG12 5.000 . 6.500 2.894 1.985 3.326 . 0 0 "[ . 1 . 2]" 1
605 1 45 ILE H 1 45 ILE HG13 5.000 . 6.500 2.471 1.895 3.606 . 0 0 "[ . 1 . 2]" 1
606 1 45 ILE H 1 46 ARG H 3.500 . 4.550 2.762 2.621 2.883 . 0 0 "[ . 1 . 2]" 1
607 1 45 ILE HA 1 46 ARG H 5.000 . 6.500 3.541 3.484 3.582 . 0 0 "[ . 1 . 2]" 1
608 1 45 ILE HA 1 47 ALA H 5.000 . 6.500 4.273 3.866 4.557 . 0 0 "[ . 1 . 2]" 1
609 1 45 ILE HA 1 48 TYR H 5.000 . 6.500 3.501 3.100 4.132 . 0 0 "[ . 1 . 2]" 1
610 1 45 ILE HA 1 48 TYR QB 5.000 . 6.500 2.895 2.263 4.162 . 0 0 "[ . 1 . 2]" 1
611 1 45 ILE HA 1 48 TYR QD 5.000 . 6.500 2.928 1.804 4.290 . 0 0 "[ . 1 . 2]" 1
612 1 45 ILE HA 1 49 VAL H 5.000 . 6.500 4.239 3.701 5.695 . 0 0 "[ . 1 . 2]" 1
613 1 45 ILE HA 1 49 VAL QG 5.000 . 6.500 3.815 3.021 5.169 . 0 0 "[ . 1 . 2]" 1
614 1 45 ILE HB 1 46 ARG H 3.500 . 4.550 2.586 2.243 3.071 . 0 0 "[ . 1 . 2]" 1
615 1 45 ILE HB 1 62 THR MG 5.000 . 6.500 3.876 3.431 4.406 . 0 0 "[ . 1 . 2]" 1
616 1 45 ILE MD 1 46 ARG H 5.000 . 6.500 4.588 4.265 4.931 . 0 0 "[ . 1 . 2]" 1
617 1 45 ILE QG 1 49 VAL QG 5.000 . 6.500 4.791 4.077 5.727 . 0 0 "[ . 1 . 2]" 1
618 1 45 ILE HG12 1 46 ARG H 5.000 . 6.500 4.725 4.162 5.126 . 0 0 "[ . 1 . 2]" 1
619 1 45 ILE HG13 1 46 ARG H 5.000 . 6.500 4.382 3.984 5.102 . 0 0 "[ . 1 . 2]" 1
620 1 45 ILE MG 1 46 ARG H 5.000 . 6.500 3.453 3.189 3.800 . 0 0 "[ . 1 . 2]" 1
621 1 45 ILE MG 1 46 ARG HA 5.000 . 6.500 3.523 3.203 3.806 . 0 0 "[ . 1 . 2]" 1
622 1 45 ILE MG 1 48 TYR QB 5.000 . 6.500 3.690 3.038 4.481 . 0 0 "[ . 1 . 2]" 1
623 1 45 ILE MG 1 49 VAL H 5.000 . 6.500 3.960 3.598 4.460 . 0 0 "[ . 1 . 2]" 1
624 1 45 ILE MG 1 49 VAL QG 5.000 . 6.500 2.534 1.994 3.336 . 0 0 "[ . 1 . 2]" 1
625 1 45 ILE MG 1 62 THR MG 5.000 . 6.500 2.338 1.948 3.206 . 0 0 "[ . 1 . 2]" 1
626 1 45 ILE MG 1 66 ILE QG 5.000 . 6.500 3.581 2.666 4.361 . 0 0 "[ . 1 . 2]" 1
627 1 46 ARG H 1 46 ARG QB 3.500 . 4.550 2.220 2.166 2.263 . 0 0 "[ . 1 . 2]" 1
628 1 46 ARG H 1 46 ARG QD 5.000 . 6.500 4.516 4.116 4.803 . 0 0 "[ . 1 . 2]" 1
629 1 46 ARG H 1 47 ALA H 5.000 . 6.500 2.776 2.621 2.994 . 0 0 "[ . 1 . 2]" 1
630 1 46 ARG H 1 47 ALA MB 5.000 . 6.500 4.456 4.301 4.660 . 0 0 "[ . 1 . 2]" 1
631 1 46 ARG H 1 49 VAL QG 5.000 . 6.500 4.120 3.740 4.705 . 0 0 "[ . 1 . 2]" 1
632 1 46 ARG H 1 62 THR MG 5.000 . 6.500 4.308 3.919 4.843 . 0 0 "[ . 1 . 2]" 1
633 1 46 ARG H 1 66 ILE MD 5.000 . 6.500 3.344 2.463 4.523 . 0 0 "[ . 1 . 2]" 1
634 1 46 ARG HA 1 47 ALA H 5.000 . 6.500 3.531 3.420 3.568 . 0 0 "[ . 1 . 2]" 1
635 1 46 ARG HA 1 49 VAL H 5.000 . 6.500 3.976 3.658 4.343 . 0 0 "[ . 1 . 2]" 1
636 1 46 ARG HA 1 49 VAL HB 5.000 . 6.500 5.288 4.816 5.973 . 0 0 "[ . 1 . 2]" 1
637 1 46 ARG HA 1 49 VAL QG 5.000 . 6.500 2.372 1.980 2.855 . 0 0 "[ . 1 . 2]" 1
638 1 46 ARG HA 1 50 MET H 5.000 . 6.500 4.570 3.802 5.552 . 0 0 "[ . 1 . 2]" 1
639 1 46 ARG HA 1 62 THR MG 5.000 . 6.500 2.946 2.104 4.073 . 0 0 "[ . 1 . 2]" 1
640 1 46 ARG HA 1 66 ILE MD 5.000 . 6.500 3.823 2.398 5.308 . 0 0 "[ . 1 . 2]" 1
641 1 46 ARG QB 1 47 ALA H 5.000 . 6.500 2.672 2.324 3.075 . 0 0 "[ . 1 . 2]" 1
642 1 46 ARG QB 1 47 ALA HA 5.000 . 6.500 4.216 3.996 4.563 . 0 0 "[ . 1 . 2]" 1
643 1 46 ARG QB 1 48 TYR H 5.000 . 6.500 4.887 4.672 5.138 . 0 0 "[ . 1 . 2]" 1
644 1 46 ARG QB 1 49 VAL QG 5.000 . 6.500 3.933 3.636 4.354 . 0 0 "[ . 1 . 2]" 1
645 1 46 ARG QB 1 62 THR MG 5.000 . 6.500 3.939 3.087 4.744 . 0 0 "[ . 1 . 2]" 1
646 1 46 ARG QB 1 66 ILE MD 5.000 . 6.500 3.169 1.966 4.747 . 0 0 "[ . 1 . 2]" 1
647 1 46 ARG QB 1 66 ILE QG 5.000 . 6.500 3.425 1.962 4.939 . 0 0 "[ . 1 . 2]" 1
648 1 46 ARG QB 1 66 ILE MG 5.000 . 6.500 2.998 1.882 4.017 . 0 0 "[ . 1 . 2]" 1
649 1 46 ARG QG 1 47 ALA H 5.000 . 6.500 3.823 3.228 4.524 . 0 0 "[ . 1 . 2]" 1
650 1 46 ARG QG 1 49 VAL QG 5.000 . 6.500 3.421 2.950 3.912 . 0 0 "[ . 1 . 2]" 1
651 1 46 ARG QG 1 50 MET H 5.000 . 6.500 4.872 3.726 5.893 . 0 0 "[ . 1 . 2]" 1
652 1 46 ARG QG 1 50 MET HG2 5.000 . 6.500 4.644 3.628 5.608 . 0 0 "[ . 1 . 2]" 1
653 1 46 ARG QG 1 50 MET HG3 5.000 . 6.500 3.578 2.437 4.607 . 0 0 "[ . 1 . 2]" 1
654 1 46 ARG QG 1 59 ILE MG 5.000 . 6.500 4.485 3.508 5.502 . 0 0 "[ . 1 . 2]" 1
655 1 46 ARG QG 1 62 THR MG 5.000 . 6.500 3.974 2.529 5.601 . 0 0 "[ . 1 . 2]" 1
656 1 46 ARG QG 1 63 ASN H 5.000 . 6.500 4.654 3.729 5.603 . 0 0 "[ . 1 . 2]" 1
657 1 46 ARG QG 1 63 ASN HA 5.000 . 6.500 3.306 1.942 4.381 . 0 0 "[ . 1 . 2]" 1
658 1 46 ARG QG 1 66 ILE HB 5.000 . 6.500 4.580 2.715 5.924 . 0 0 "[ . 1 . 2]" 1
659 1 46 ARG QG 1 66 ILE MD 5.000 . 6.500 4.355 2.944 6.283 . 0 0 "[ . 1 . 2]" 1
660 1 46 ARG QG 1 66 ILE QG 5.000 . 6.500 4.453 2.705 5.940 . 0 0 "[ . 1 . 2]" 1
661 1 46 ARG QG 1 66 ILE MG 5.000 . 6.500 4.315 2.917 5.566 . 0 0 "[ . 1 . 2]" 1
662 1 47 ALA H 1 48 TYR H 3.500 . 4.550 2.643 2.372 2.862 . 0 0 "[ . 1 . 2]" 1
663 1 47 ALA H 1 50 MET QB 5.000 . 6.500 5.451 5.011 5.912 . 0 0 "[ . 1 . 2]" 1
664 1 47 ALA HA 1 48 TYR H 5.000 . 6.500 3.553 3.435 3.579 . 0 0 "[ . 1 . 2]" 1
665 1 47 ALA HA 1 50 MET H 5.000 . 6.500 3.845 3.428 4.173 . 0 0 "[ . 1 . 2]" 1
666 1 47 ALA HA 1 50 MET QB 5.000 . 6.500 3.219 2.614 3.777 . 0 0 "[ . 1 . 2]" 1
667 1 47 ALA HA 1 50 MET HG2 5.000 . 6.500 5.406 4.419 6.181 . 0 0 "[ . 1 . 2]" 1
668 1 47 ALA HA 1 50 MET HG3 5.000 . 6.500 3.964 3.047 5.171 . 0 0 "[ . 1 . 2]" 1
669 1 47 ALA MB 1 48 TYR H 5.000 . 6.500 2.535 2.366 3.080 . 0 0 "[ . 1 . 2]" 1
670 1 47 ALA MB 1 48 TYR HA 5.000 . 6.500 3.803 3.729 3.934 . 0 0 "[ . 1 . 2]" 1
671 1 47 ALA MB 1 49 VAL H 5.000 . 6.500 4.709 4.514 5.059 . 0 0 "[ . 1 . 2]" 1
672 1 47 ALA MB 1 50 MET H 5.000 . 6.500 4.851 4.524 5.128 . 0 0 "[ . 1 . 2]" 1
673 1 47 ALA MB 1 50 MET QB 5.000 . 6.500 4.396 3.706 4.820 . 0 0 "[ . 1 . 2]" 1
674 1 48 TYR H 1 48 TYR QB 3.500 . 4.550 2.345 2.234 2.515 . 0 0 "[ . 1 . 2]" 1
675 1 48 TYR H 1 48 TYR QD 5.000 . 6.500 3.110 2.287 4.210 . 0 0 "[ . 1 . 2]" 1
676 1 48 TYR H 1 49 VAL H 5.000 . 6.500 2.825 2.550 3.074 . 0 0 "[ . 1 . 2]" 1
677 1 48 TYR H 1 49 VAL QG 5.000 . 6.500 3.688 3.443 3.888 . 0 0 "[ . 1 . 2]" 1
678 1 48 TYR HA 1 49 VAL H 5.000 . 6.500 3.574 3.530 3.596 . 0 0 "[ . 1 . 2]" 1
679 1 48 TYR HA 1 51 SER H 5.000 . 6.500 3.669 3.005 5.493 . 0 0 "[ . 1 . 2]" 1
680 1 48 TYR HA 1 52 ASN HD21 5.000 . 6.500 3.763 2.734 5.026 . 0 0 "[ . 1 . 2]" 1
681 1 48 TYR HA 1 52 ASN HD22 5.000 . 6.500 3.993 3.321 5.460 . 0 0 "[ . 1 . 2]" 1
682 1 48 TYR QB 1 49 VAL H 3.500 . 4.550 2.567 2.359 2.983 . 0 0 "[ . 1 . 2]" 1
683 1 48 TYR QB 1 49 VAL QG 5.000 . 6.500 3.111 2.867 3.517 . 0 0 "[ . 1 . 2]" 1
684 1 48 TYR QB 1 52 ASN HD21 5.000 . 6.500 3.686 2.593 5.335 . 0 0 "[ . 1 . 2]" 1
685 1 48 TYR QB 1 52 ASN HD22 5.000 . 6.500 3.907 2.331 5.371 . 0 0 "[ . 1 . 2]" 1
686 1 48 TYR QD 1 49 VAL H 5.000 . 6.500 4.137 3.334 4.703 . 0 0 "[ . 1 . 2]" 1
687 1 48 TYR QD 1 49 VAL QG 5.000 . 6.500 4.102 2.381 4.914 . 0 0 "[ . 1 . 2]" 1
688 1 49 VAL H 1 49 VAL HB 3.500 . 4.550 3.653 3.629 3.687 . 0 0 "[ . 1 . 2]" 1
689 1 49 VAL H 1 50 MET H 2.900 . 3.770 2.752 2.608 2.879 . 0 0 "[ . 1 . 2]" 1
690 1 49 VAL HA 1 50 MET H 5.000 . 6.500 3.550 3.500 3.613 . 0 0 "[ . 1 . 2]" 1
691 1 49 VAL HA 1 51 SER H 5.000 . 6.500 4.044 3.680 4.437 . 0 0 "[ . 1 . 2]" 1
692 1 49 VAL HA 1 52 ASN H 5.000 . 6.500 3.491 2.963 3.917 . 0 0 "[ . 1 . 2]" 1
693 1 49 VAL HA 1 52 ASN HB2 5.000 . 6.500 3.205 2.583 4.018 . 0 0 "[ . 1 . 2]" 1
694 1 49 VAL HA 1 52 ASN HB3 5.000 . 6.500 4.875 4.182 5.690 . 0 0 "[ . 1 . 2]" 1
695 1 49 VAL HA 1 52 ASN HD21 5.000 . 6.500 3.854 3.042 5.401 . 0 0 "[ . 1 . 2]" 1
696 1 49 VAL HA 1 52 ASN HD22 5.000 . 6.500 5.321 4.290 6.368 . 0 0 "[ . 1 . 2]" 1
697 1 49 VAL HA 1 53 TYR H 5.000 . 6.500 3.357 2.895 3.897 . 0 0 "[ . 1 . 2]" 1
698 1 49 VAL HA 1 53 TYR QB 5.000 . 6.500 3.786 3.049 4.689 . 0 0 "[ . 1 . 2]" 1
699 1 49 VAL HA 1 53 TYR QD 5.000 . 6.500 2.511 1.627 4.185 0.173 3 0 "[ . 1 . 2]" 1
700 1 49 VAL HA 1 53 TYR QE 5.000 . 6.500 3.434 2.820 4.708 . 0 0 "[ . 1 . 2]" 1
701 1 49 VAL HB 1 53 TYR H 5.000 . 6.500 4.456 3.714 4.915 . 0 0 "[ . 1 . 2]" 1
702 1 49 VAL HB 1 53 TYR HB2 5.000 . 6.500 3.505 2.622 4.145 . 0 0 "[ . 1 . 2]" 1
703 1 49 VAL HB 1 53 TYR HB3 5.000 . 6.500 4.944 4.124 5.828 . 0 0 "[ . 1 . 2]" 1
704 1 49 VAL HB 1 53 TYR QD 5.000 . 6.500 2.767 1.786 3.915 0.014 18 0 "[ . 1 . 2]" 1
705 1 49 VAL HB 1 62 THR HB 5.000 . 6.500 4.014 3.584 5.126 . 0 0 "[ . 1 . 2]" 1
706 1 49 VAL QG 1 50 MET H 5.000 . 6.500 2.127 1.836 2.421 . 0 0 "[ . 1 . 2]" 1
707 1 49 VAL QG 1 50 MET HA 5.000 . 6.500 3.326 3.207 3.544 . 0 0 "[ . 1 . 2]" 1
708 1 49 VAL QG 1 50 MET HG2 5.000 . 6.500 3.151 2.820 3.591 . 0 0 "[ . 1 . 2]" 1
709 1 49 VAL QG 1 50 MET HG3 5.000 . 6.500 2.304 2.059 2.777 . 0 0 "[ . 1 . 2]" 1
710 1 49 VAL QG 1 52 ASN H 5.000 . 6.500 4.588 4.349 4.876 . 0 0 "[ . 1 . 2]" 1
711 1 49 VAL QG 1 52 ASN HB2 5.000 . 6.500 4.505 3.850 5.144 . 0 0 "[ . 1 . 2]" 1
712 1 49 VAL QG 1 52 ASN HB3 5.000 . 6.500 5.698 4.987 6.405 . 0 0 "[ . 1 . 2]" 1
713 1 49 VAL QG 1 53 TYR H 5.000 . 6.500 4.414 4.004 4.713 . 0 0 "[ . 1 . 2]" 1
714 1 49 VAL QG 1 53 TYR HB2 5.000 . 6.500 4.010 3.494 4.541 . 0 0 "[ . 1 . 2]" 1
715 1 49 VAL QG 1 53 TYR HB3 5.000 . 6.500 5.067 4.502 5.777 . 0 0 "[ . 1 . 2]" 1
716 1 49 VAL QG 1 53 TYR QD 5.000 . 6.500 2.980 2.413 3.721 . 0 0 "[ . 1 . 2]" 1
717 1 49 VAL QG 1 53 TYR QE 5.000 . 6.500 2.844 1.997 4.251 . 0 0 "[ . 1 . 2]" 1
718 1 49 VAL QG 1 59 ILE HA 5.000 . 6.500 2.972 2.409 3.837 . 0 0 "[ . 1 . 2]" 1
719 1 49 VAL QG 1 62 THR HB 5.000 . 6.500 2.389 1.956 3.060 . 0 0 "[ . 1 . 2]" 1
720 1 50 MET H 1 50 MET QB 2.900 . 3.770 2.442 2.385 2.496 . 0 0 "[ . 1 . 2]" 1
721 1 50 MET H 1 50 MET HG2 5.000 . 6.500 3.464 3.255 3.713 . 0 0 "[ . 1 . 2]" 1
722 1 50 MET H 1 50 MET HG3 5.000 . 6.500 2.326 2.196 2.519 . 0 0 "[ . 1 . 2]" 1
723 1 50 MET H 1 51 SER H 5.000 . 6.500 2.630 2.446 3.702 . 0 0 "[ . 1 . 2]" 1
724 1 50 MET H 1 51 SER QB 5.000 . 6.500 4.366 4.230 4.738 . 0 0 "[ . 1 . 2]" 1
725 1 50 MET HA 1 51 SER H 5.000 . 6.500 3.407 2.437 3.523 . 0 0 "[ . 1 . 2]" 1
726 1 50 MET HA 1 52 ASN H 5.000 . 6.500 4.289 3.586 5.021 . 0 0 "[ . 1 . 2]" 1
727 1 50 MET HA 1 53 TYR H 5.000 . 6.500 4.120 3.465 4.758 . 0 0 "[ . 1 . 2]" 1
728 1 50 MET HA 1 59 ILE MD 5.000 . 6.500 2.589 1.856 3.844 . 0 0 "[ . 1 . 2]" 1
729 1 50 MET HA 1 59 ILE QG 5.000 . 6.500 3.151 2.079 4.011 . 0 0 "[ . 1 . 2]" 1
730 1 50 MET HA 1 59 ILE MG 5.000 . 6.500 3.276 2.076 4.180 . 0 0 "[ . 1 . 2]" 1
731 1 50 MET QB 1 51 SER H 3.500 . 4.550 2.996 2.746 3.894 . 0 0 "[ . 1 . 2]" 1
732 1 50 MET QB 1 51 SER HA 5.000 . 6.500 4.073 3.937 4.575 . 0 0 "[ . 1 . 2]" 1
733 1 50 MET QB 1 51 SER QB 5.000 . 6.500 4.001 3.791 4.333 . 0 0 "[ . 1 . 2]" 1
734 1 50 MET QB 1 52 ASN H 5.000 . 6.500 4.865 4.458 5.627 . 0 0 "[ . 1 . 2]" 1
735 1 50 MET QG 1 51 SER H 5.000 . 6.500 4.219 4.076 4.471 . 0 0 "[ . 1 . 2]" 1
736 1 50 MET HG2 1 59 ILE MG 5.000 . 6.500 2.251 1.644 3.302 0.156 1 0 "[ . 1 . 2]" 1
737 1 50 MET HG3 1 59 ILE MG 5.000 . 6.500 3.050 2.351 4.067 . 0 0 "[ . 1 . 2]" 1
738 1 51 SER H 1 51 SER QB 3.500 . 4.550 2.349 2.268 3.008 . 0 0 "[ . 1 . 2]" 1
739 1 51 SER H 1 52 ASN H 3.500 . 4.550 2.453 2.097 2.673 . 0 0 "[ . 1 . 2]" 1
740 1 51 SER H 1 53 TYR H 5.000 . 6.500 4.090 3.000 4.644 . 0 0 "[ . 1 . 2]" 1
741 1 51 SER HA 1 52 ASN H 5.000 . 6.500 3.474 3.256 3.584 . 0 0 "[ . 1 . 2]" 1
742 1 51 SER QB 1 52 ASN H 3.500 . 4.550 2.891 2.202 3.481 . 0 0 "[ . 1 . 2]" 1
743 1 51 SER QB 1 52 ASN HD21 5.000 . 6.500 3.336 2.454 5.013 . 0 0 "[ . 1 . 2]" 1
744 1 51 SER QB 1 52 ASN HD22 5.000 . 6.500 3.585 2.826 4.476 . 0 0 "[ . 1 . 2]" 1
745 1 52 ASN H 1 52 ASN HD21 5.000 . 6.500 2.920 2.333 3.944 . 0 0 "[ . 1 . 2]" 1
746 1 52 ASN H 1 52 ASN HD22 5.000 . 6.500 4.110 3.551 4.571 . 0 0 "[ . 1 . 2]" 1
747 1 52 ASN H 1 53 TYR H 2.900 . 3.770 2.362 1.947 2.608 . 0 0 "[ . 1 . 2]" 1
748 1 52 ASN H 1 53 TYR QB 5.000 . 6.500 4.494 4.097 4.731 . 0 0 "[ . 1 . 2]" 1
749 1 52 ASN HA 1 52 ASN HD22 5.000 . 6.500 4.302 3.571 4.734 . 0 0 "[ . 1 . 2]" 1
750 1 52 ASN HA 1 53 TYR H 5.000 . 6.500 3.555 3.332 3.597 . 0 0 "[ . 1 . 2]" 1
751 1 52 ASN HB2 1 53 TYR H 5.000 . 6.500 2.676 2.291 3.539 . 0 0 "[ . 1 . 2]" 1
752 1 52 ASN HB2 1 53 TYR QD 5.000 . 6.500 3.302 2.432 4.196 . 0 0 "[ . 1 . 2]" 1
753 1 52 ASN HB2 1 53 TYR QE 5.000 . 6.500 3.752 2.784 4.472 . 0 0 "[ . 1 . 2]" 1
754 1 52 ASN HB3 1 53 TYR H 5.000 . 6.500 3.568 3.007 4.328 . 0 0 "[ . 1 . 2]" 1
755 1 52 ASN HB3 1 53 TYR QD 5.000 . 6.500 3.962 3.135 4.363 . 0 0 "[ . 1 . 2]" 1
756 1 52 ASN HB3 1 53 TYR QE 5.000 . 6.500 4.156 3.539 4.619 . 0 0 "[ . 1 . 2]" 1
757 1 53 TYR H 1 53 TYR QD 5.000 . 6.500 2.850 1.943 3.555 . 0 0 "[ . 1 . 2]" 1
758 1 53 TYR H 1 59 ILE MD 5.000 . 6.500 4.242 3.250 5.400 . 0 0 "[ . 1 . 2]" 1
759 1 53 TYR HA 1 54 THR H 5.000 . 6.500 2.248 2.145 2.505 . 0 0 "[ . 1 . 2]" 1
760 1 53 TYR HA 1 54 THR MG 5.000 . 6.500 3.614 3.373 3.897 . 0 0 "[ . 1 . 2]" 1
761 1 53 TYR HA 1 55 ASP H 5.000 . 6.500 4.060 3.272 4.823 . 0 0 "[ . 1 . 2]" 1
762 1 53 TYR HA 1 58 LEU QD 5.000 . 6.500 3.994 3.085 4.932 . 0 0 "[ . 1 . 2]" 1
763 1 53 TYR HB2 1 54 THR H 5.000 . 6.500 3.972 3.345 4.416 . 0 0 "[ . 1 . 2]" 1
764 1 53 TYR HB2 1 55 ASP H 5.000 . 6.500 4.604 3.649 5.434 . 0 0 "[ . 1 . 2]" 1
765 1 53 TYR HB2 1 58 LEU HB2 5.000 . 6.500 3.711 3.253 4.351 . 0 0 "[ . 1 . 2]" 1
766 1 53 TYR HB2 1 58 LEU HB3 5.000 . 6.500 4.021 3.225 4.960 . 0 0 "[ . 1 . 2]" 1
767 1 53 TYR HB2 1 58 LEU QD 5.000 . 6.500 3.938 3.487 4.461 . 0 0 "[ . 1 . 2]" 1
768 1 53 TYR HB2 1 59 ILE MD 5.000 . 6.500 3.307 2.031 4.244 . 0 0 "[ . 1 . 2]" 1
769 1 53 TYR HB2 1 59 ILE HG12 5.000 . 6.500 3.053 2.059 4.724 . 0 0 "[ . 1 . 2]" 1
770 1 53 TYR HB2 1 59 ILE HG13 5.000 . 6.500 3.464 2.132 5.500 . 0 0 "[ . 1 . 2]" 1
771 1 53 TYR HB3 1 54 THR H 5.000 . 6.500 2.963 2.136 3.837 . 0 0 "[ . 1 . 2]" 1
772 1 53 TYR HB3 1 55 ASP H 5.000 . 6.500 3.358 2.448 4.112 . 0 0 "[ . 1 . 2]" 1
773 1 53 TYR HB3 1 58 LEU HB2 5.000 . 6.500 2.855 2.390 4.230 . 0 0 "[ . 1 . 2]" 1
774 1 53 TYR HB3 1 58 LEU HB3 5.000 . 6.500 3.427 2.251 5.033 . 0 0 "[ . 1 . 2]" 1
775 1 53 TYR HB3 1 58 LEU QD 5.000 . 6.500 2.717 2.205 3.223 . 0 0 "[ . 1 . 2]" 1
776 1 53 TYR HB3 1 59 ILE MD 5.000 . 6.500 3.922 2.776 4.879 . 0 0 "[ . 1 . 2]" 1
777 1 53 TYR HB3 1 59 ILE HG12 5.000 . 6.500 4.007 3.080 5.188 . 0 0 "[ . 1 . 2]" 1
778 1 53 TYR HB3 1 59 ILE HG13 5.000 . 6.500 3.822 2.866 6.145 . 0 0 "[ . 1 . 2]" 1
779 1 53 TYR QD 1 54 THR H 5.000 . 6.500 3.953 3.573 4.389 . 0 0 "[ . 1 . 2]" 1
780 1 53 TYR QD 1 58 LEU HB2 5.000 . 6.500 3.978 2.866 5.210 . 0 0 "[ . 1 . 2]" 1
781 1 53 TYR QD 1 58 LEU HB3 5.000 . 6.500 3.545 2.238 5.113 . 0 0 "[ . 1 . 2]" 1
782 1 53 TYR QD 1 58 LEU QD 5.000 . 6.500 2.664 1.890 3.693 . 0 0 "[ . 1 . 2]" 1
783 1 53 TYR QE 1 58 LEU HB2 5.000 . 6.500 5.508 4.655 6.823 0.323 12 0 "[ . 1 . 2]" 1
784 1 53 TYR QE 1 58 LEU HB3 5.000 . 6.500 4.547 3.411 6.403 . 0 0 "[ . 1 . 2]" 1
785 1 53 TYR QE 1 58 LEU MD1 5.000 . 6.500 3.555 2.592 4.592 . 0 0 "[ . 1 . 2]" 1
786 1 53 TYR QE 1 58 LEU MD2 5.000 . 6.500 4.660 3.682 6.287 . 0 0 "[ . 1 . 2]" 1
787 1 54 THR H 1 55 ASP H 5.000 . 6.500 2.313 1.819 3.836 . 0 0 "[ . 1 . 2]" 1
788 1 54 THR H 1 58 LEU QD 5.000 . 6.500 3.918 2.636 5.112 . 0 0 "[ . 1 . 2]" 1
789 1 54 THR HA 1 55 ASP H 5.000 . 6.500 3.416 2.360 3.603 . 0 0 "[ . 1 . 2]" 1
790 1 54 THR HA 1 59 ILE MD 5.000 . 6.500 3.105 2.365 4.324 . 0 0 "[ . 1 . 2]" 1
791 1 54 THR HB 1 55 ASP H 5.000 . 6.500 3.923 3.175 4.450 . 0 0 "[ . 1 . 2]" 1
792 1 54 THR MG 1 55 ASP H 5.000 . 6.500 3.521 1.694 4.358 0.106 8 0 "[ . 1 . 2]" 1
793 1 55 ASP H 1 58 LEU H 5.000 . 6.500 4.947 4.612 5.284 . 0 0 "[ . 1 . 2]" 1
794 1 55 ASP H 1 58 LEU HB2 5.000 . 6.500 3.967 3.451 4.569 . 0 0 "[ . 1 . 2]" 1
795 1 55 ASP H 1 58 LEU HB3 5.000 . 6.500 5.431 4.737 6.171 . 0 0 "[ . 1 . 2]" 1
796 1 55 ASP H 1 58 LEU QD 5.000 . 6.500 3.270 2.058 4.278 . 0 0 "[ . 1 . 2]" 1
797 1 55 ASP H 1 59 ILE H 5.000 . 6.500 5.150 4.282 5.644 . 0 0 "[ . 1 . 2]" 1
798 1 55 ASP H 1 59 ILE MD 5.000 . 6.500 4.198 3.601 5.344 . 0 0 "[ . 1 . 2]" 1
799 1 55 ASP HA 1 56 HIS H 5.000 . 6.500 2.197 2.122 2.355 . 0 0 "[ . 1 . 2]" 1
800 1 55 ASP HA 1 57 GLN H 5.000 . 6.500 4.104 3.619 4.900 . 0 0 "[ . 1 . 2]" 1
801 1 55 ASP HA 1 58 LEU H 5.000 . 6.500 4.710 4.405 5.259 . 0 0 "[ . 1 . 2]" 1
802 1 55 ASP HB2 1 57 GLN H 5.000 . 6.500 4.488 3.841 5.210 . 0 0 "[ . 1 . 2]" 1
803 1 55 ASP HB2 1 57 GLN QB 5.000 . 6.500 4.671 3.456 5.839 . 0 0 "[ . 1 . 2]" 1
804 1 55 ASP HB2 1 58 LEU H 5.000 . 6.500 3.745 2.786 4.983 . 0 0 "[ . 1 . 2]" 1
805 1 55 ASP HB2 1 58 LEU HB2 5.000 . 6.500 3.586 2.183 5.444 . 0 0 "[ . 1 . 2]" 1
806 1 55 ASP HB2 1 58 LEU HB3 5.000 . 6.500 4.991 3.723 6.907 0.407 13 0 "[ . 1 . 2]" 1
807 1 55 ASP HB2 1 58 LEU QD 5.000 . 6.500 2.728 2.012 4.099 . 0 0 "[ . 1 . 2]" 1
808 1 55 ASP HB2 1 58 LEU HG 5.000 . 6.500 3.039 2.032 4.625 . 0 0 "[ . 1 . 2]" 1
809 1 55 ASP HB3 1 57 GLN H 5.000 . 6.500 3.500 2.693 4.583 . 0 0 "[ . 1 . 2]" 1
810 1 55 ASP HB3 1 57 GLN QB 5.000 . 6.500 3.737 2.577 5.087 . 0 0 "[ . 1 . 2]" 1
811 1 55 ASP HB3 1 58 LEU H 5.000 . 6.500 3.172 2.818 3.574 . 0 0 "[ . 1 . 2]" 1
812 1 55 ASP HB3 1 58 LEU HB2 5.000 . 6.500 3.689 2.326 4.666 . 0 0 "[ . 1 . 2]" 1
813 1 55 ASP HB3 1 58 LEU HB3 5.000 . 6.500 5.103 3.830 6.172 . 0 0 "[ . 1 . 2]" 1
814 1 55 ASP HB3 1 58 LEU QD 5.000 . 6.500 3.050 2.058 4.087 . 0 0 "[ . 1 . 2]" 1
815 1 55 ASP HB3 1 58 LEU HG 5.000 . 6.500 2.836 2.074 3.786 . 0 0 "[ . 1 . 2]" 1
816 1 56 HIS H 1 57 GLN H 5.000 . 6.500 2.780 2.600 3.026 . 0 0 "[ . 1 . 2]" 1
817 1 56 HIS HA 1 56 HIS HD2 5.000 . 6.500 3.480 2.448 4.666 . 0 0 "[ . 1 . 2]" 1
818 1 56 HIS HA 1 57 GLN H 5.000 . 6.500 3.541 3.473 3.595 . 0 0 "[ . 1 . 2]" 1
819 1 56 HIS HA 1 59 ILE H 5.000 . 6.500 3.400 2.648 4.057 . 0 0 "[ . 1 . 2]" 1
820 1 56 HIS HA 1 59 ILE HB 3.500 . 4.550 2.705 1.930 3.811 . 0 0 "[ . 1 . 2]" 1
821 1 56 HIS HA 1 59 ILE MD 5.000 . 6.500 3.382 1.936 5.757 . 0 0 "[ . 1 . 2]" 1
822 1 56 HIS HA 1 60 GLU H 5.000 . 6.500 3.440 2.315 4.115 . 0 0 "[ . 1 . 2]" 1
823 1 56 HIS QB 1 57 GLN H 5.000 . 6.500 2.726 2.200 3.571 . 0 0 "[ . 1 . 2]" 1
824 1 56 HIS QB 1 57 GLN HA 5.000 . 6.500 3.999 3.661 4.338 . 0 0 "[ . 1 . 2]" 1
825 1 57 GLN H 1 57 GLN QB 3.500 . 4.550 2.415 2.276 2.507 . 0 0 "[ . 1 . 2]" 1
826 1 57 GLN H 1 58 LEU H 5.000 . 6.500 2.723 2.534 2.821 . 0 0 "[ . 1 . 2]" 1
827 1 57 GLN HA 1 57 GLN HE21 5.000 . 6.500 3.627 2.367 4.848 . 0 0 "[ . 1 . 2]" 1
828 1 57 GLN HA 1 57 GLN HE22 5.000 . 6.500 4.284 3.097 5.663 . 0 0 "[ . 1 . 2]" 1
829 1 57 GLN HA 1 58 LEU H 5.000 . 6.500 3.504 3.267 3.586 . 0 0 "[ . 1 . 2]" 1
830 1 57 GLN HA 1 60 GLU H 5.000 . 6.500 3.983 3.183 4.763 . 0 0 "[ . 1 . 2]" 1
831 1 57 GLN HA 1 60 GLU QB 5.000 . 6.500 3.181 2.087 4.663 . 0 0 "[ . 1 . 2]" 1
832 1 57 GLN HA 1 61 THR H 5.000 . 6.500 3.759 2.729 4.634 . 0 0 "[ . 1 . 2]" 1
833 1 57 GLN QB 1 58 LEU H 3.500 . 4.550 2.777 2.302 3.443 . 0 0 "[ . 1 . 2]" 1
834 1 57 GLN QB 1 58 LEU MD1 5.000 . 6.500 4.701 4.362 5.120 . 0 0 "[ . 1 . 2]" 1
835 1 57 GLN QB 1 58 LEU MD2 5.000 . 6.500 3.489 3.082 3.902 . 0 0 "[ . 1 . 2]" 1
836 1 57 GLN QB 1 58 LEU HG 5.000 . 6.500 3.441 3.030 3.961 . 0 0 "[ . 1 . 2]" 1
837 1 57 GLN QG 1 58 LEU H 5.000 . 6.500 4.362 3.990 4.828 . 0 0 "[ . 1 . 2]" 1
838 1 58 LEU H 1 58 LEU HB2 3.500 . 4.550 2.526 2.466 2.567 . 0 0 "[ . 1 . 2]" 1
839 1 58 LEU H 1 58 LEU HB3 3.500 . 4.550 3.632 3.596 3.685 . 0 0 "[ . 1 . 2]" 1
840 1 58 LEU H 1 58 LEU MD1 5.000 . 6.500 3.745 3.628 3.881 . 0 0 "[ . 1 . 2]" 1
841 1 58 LEU H 1 58 LEU MD2 5.000 . 6.500 3.289 3.003 3.572 . 0 0 "[ . 1 . 2]" 1
842 1 58 LEU H 1 58 LEU HG 5.000 . 6.500 2.392 2.166 2.676 . 0 0 "[ . 1 . 2]" 1
843 1 58 LEU H 1 59 ILE H 2.900 . 3.770 2.520 2.181 2.828 . 0 0 "[ . 1 . 2]" 1
844 1 58 LEU H 1 59 ILE QG 5.000 . 6.500 4.051 3.502 4.412 . 0 0 "[ . 1 . 2]" 1
845 1 58 LEU H 1 61 THR H 5.000 . 6.500 4.804 4.257 5.197 . 0 0 "[ . 1 . 2]" 1
846 1 58 LEU HA 1 59 ILE H 5.000 . 6.500 3.531 3.368 3.582 . 0 0 "[ . 1 . 2]" 1
847 1 58 LEU HA 1 61 THR H 5.000 . 6.500 4.162 3.461 4.790 . 0 0 "[ . 1 . 2]" 1
848 1 58 LEU HA 1 62 THR H 5.000 . 6.500 4.471 4.049 5.123 . 0 0 "[ . 1 . 2]" 1
849 1 58 LEU QB 1 59 ILE QG 5.000 . 6.500 3.058 2.828 3.282 . 0 0 "[ . 1 . 2]" 1
850 1 58 LEU HB2 1 59 ILE H 5.000 . 6.500 2.635 2.249 3.307 . 0 0 "[ . 1 . 2]" 1
851 1 58 LEU HB2 1 59 ILE MD 5.000 . 6.500 4.399 3.487 4.816 . 0 0 "[ . 1 . 2]" 1
852 1 58 LEU HB3 1 59 ILE H 5.000 . 6.500 3.690 3.395 4.162 . 0 0 "[ . 1 . 2]" 1
853 1 58 LEU HB3 1 59 ILE MD 5.000 . 6.500 5.318 3.652 6.004 . 0 0 "[ . 1 . 2]" 1
854 1 58 LEU QD 1 59 ILE H 5.000 . 6.500 4.086 3.879 4.320 . 0 0 "[ . 1 . 2]" 1
855 1 59 ILE H 1 59 ILE HB 3.500 . 4.550 2.533 2.410 2.595 . 0 0 "[ . 1 . 2]" 1
856 1 59 ILE H 1 59 ILE MD 5.000 . 6.500 3.550 3.089 4.023 . 0 0 "[ . 1 . 2]" 1
857 1 59 ILE H 1 59 ILE HG12 5.000 . 6.500 3.193 2.071 3.904 . 0 0 "[ . 1 . 2]" 1
858 1 59 ILE H 1 59 ILE HG13 5.000 . 6.500 2.503 2.005 3.759 . 0 0 "[ . 1 . 2]" 1
859 1 59 ILE H 1 60 GLU H 5.000 . 6.500 2.732 2.279 3.092 . 0 0 "[ . 1 . 2]" 1
860 1 59 ILE H 1 60 GLU QB 5.000 . 6.500 4.505 3.806 4.933 . 0 0 "[ . 1 . 2]" 1
861 1 59 ILE HA 1 60 GLU H 5.000 . 6.500 3.573 3.516 3.614 . 0 0 "[ . 1 . 2]" 1
862 1 59 ILE HA 1 62 THR H 5.000 . 6.500 3.815 3.387 4.440 . 0 0 "[ . 1 . 2]" 1
863 1 59 ILE HA 1 62 THR HB 3.500 . 4.550 3.223 2.687 3.801 . 0 0 "[ . 1 . 2]" 1
864 1 59 ILE HA 1 62 THR MG 5.000 . 6.500 4.495 3.948 5.011 . 0 0 "[ . 1 . 2]" 1
865 1 59 ILE HA 1 63 ASN H 5.000 . 6.500 4.171 3.717 4.722 . 0 0 "[ . 1 . 2]" 1
866 1 59 ILE HB 1 60 GLU H 3.500 . 4.550 2.352 2.025 2.708 . 0 0 "[ . 1 . 2]" 1
867 1 59 ILE MG 1 60 GLU H 5.000 . 6.500 3.179 2.851 3.537 . 0 0 "[ . 1 . 2]" 1
868 1 59 ILE MG 1 60 GLU HA 5.000 . 6.500 3.260 2.997 3.519 . 0 0 "[ . 1 . 2]" 1
869 1 59 ILE MG 1 63 ASN H 5.000 . 6.500 3.928 3.611 4.531 . 0 0 "[ . 1 . 2]" 1
870 1 59 ILE MG 1 63 ASN HB2 5.000 . 6.500 4.155 2.841 5.509 . 0 0 "[ . 1 . 2]" 1
871 1 59 ILE MG 1 63 ASN HB3 5.000 . 6.500 3.910 2.980 4.895 . 0 0 "[ . 1 . 2]" 1
872 1 59 ILE MG 1 63 ASN HD21 5.000 . 6.500 3.925 2.321 6.501 0.001 12 0 "[ . 1 . 2]" 1
873 1 59 ILE MG 1 63 ASN HD22 5.000 . 6.500 4.142 1.803 7.162 0.662 12 1 "[ . 1 + . 2]" 1
874 1 60 GLU H 1 60 GLU QB 2.900 . 3.770 2.297 2.129 2.482 . 0 0 "[ . 1 . 2]" 1
875 1 60 GLU H 1 60 GLU HG2 5.000 . 6.500 3.805 2.190 4.613 . 0 0 "[ . 1 . 2]" 1
876 1 60 GLU H 1 60 GLU HG3 5.000 . 6.500 4.073 2.412 4.539 . 0 0 "[ . 1 . 2]" 1
877 1 60 GLU H 1 61 THR H 3.500 . 4.550 2.829 2.604 3.065 . 0 0 "[ . 1 . 2]" 1
878 1 60 GLU HA 1 61 THR H 5.000 . 6.500 3.554 3.468 3.593 . 0 0 "[ . 1 . 2]" 1
879 1 60 GLU HA 1 63 ASN H 5.000 . 6.500 3.642 3.104 4.148 . 0 0 "[ . 1 . 2]" 1
880 1 60 GLU HA 1 63 ASN HB2 5.000 . 6.500 4.250 2.290 5.628 . 0 0 "[ . 1 . 2]" 1
881 1 60 GLU HA 1 63 ASN HB3 5.000 . 6.500 3.747 1.940 5.000 . 0 0 "[ . 1 . 2]" 1
882 1 60 GLU HA 1 63 ASN HD21 5.000 . 6.500 3.274 2.068 5.302 . 0 0 "[ . 1 . 2]" 1
883 1 60 GLU HA 1 63 ASN HD22 5.000 . 6.500 3.402 1.504 6.484 0.296 16 0 "[ . 1 . 2]" 1
884 1 60 GLU QB 1 61 THR H 3.500 . 4.550 2.549 2.164 2.957 . 0 0 "[ . 1 . 2]" 1
885 1 60 GLU QB 1 61 THR HA 5.000 . 6.500 4.063 3.792 4.311 . 0 0 "[ . 1 . 2]" 1
886 1 60 GLU QB 1 62 THR H 5.000 . 6.500 4.827 4.448 5.211 . 0 0 "[ . 1 . 2]" 1
887 1 60 GLU QB 1 63 ASN QD 5.000 . 6.500 4.181 3.332 6.525 0.025 18 0 "[ . 1 . 2]" 1
888 1 60 GLU QG 1 61 THR H 5.000 . 6.500 3.885 3.236 4.565 . 0 0 "[ . 1 . 2]" 1
889 1 61 THR H 1 62 THR H 3.500 . 4.550 2.837 2.620 3.015 . 0 0 "[ . 1 . 2]" 1
890 1 61 THR HA 1 62 THR H 5.000 . 6.500 3.556 3.492 3.588 . 0 0 "[ . 1 . 2]" 1
891 1 61 THR HA 1 64 ARG H 5.000 . 6.500 3.913 3.480 4.426 . 0 0 "[ . 1 . 2]" 1
892 1 61 THR HA 1 64 ARG QB 5.000 . 6.500 2.968 2.469 3.566 . 0 0 "[ . 1 . 2]" 1
893 1 61 THR HA 1 64 ARG QD 5.000 . 6.500 3.919 2.834 5.192 . 0 0 "[ . 1 . 2]" 1
894 1 61 THR HA 1 65 ALA H 5.000 . 6.500 4.223 3.862 4.883 . 0 0 "[ . 1 . 2]" 1
895 1 61 THR HB 1 62 THR H 5.000 . 6.500 2.522 2.216 2.923 . 0 0 "[ . 1 . 2]" 1
896 1 61 THR MG 1 62 THR H 5.000 . 6.500 3.358 3.073 3.720 . 0 0 "[ . 1 . 2]" 1
897 1 61 THR MG 1 62 THR HA 5.000 . 6.500 3.422 3.195 3.631 . 0 0 "[ . 1 . 2]" 1
898 1 61 THR MG 1 64 ARG H 5.000 . 6.500 5.009 4.702 5.521 . 0 0 "[ . 1 . 2]" 1
899 1 61 THR MG 1 64 ARG QB 5.000 . 6.500 4.084 3.485 4.793 . 0 0 "[ . 1 . 2]" 1
900 1 61 THR MG 1 65 ALA H 5.000 . 6.500 4.254 3.870 5.094 . 0 0 "[ . 1 . 2]" 1
901 1 61 THR MG 1 65 ALA MB 5.000 . 6.500 3.477 2.851 4.366 . 0 0 "[ . 1 . 2]" 1
902 1 62 THR H 1 62 THR HB 3.500 . 4.550 2.564 2.506 2.630 . 0 0 "[ . 1 . 2]" 1
903 1 62 THR H 1 63 ASN H 5.000 . 6.500 2.818 2.600 2.999 . 0 0 "[ . 1 . 2]" 1
904 1 62 THR H 1 65 ALA H 5.000 . 6.500 4.857 4.555 5.247 . 0 0 "[ . 1 . 2]" 1
905 1 62 THR HA 1 63 ASN H 5.000 . 6.500 3.586 3.551 3.617 . 0 0 "[ . 1 . 2]" 1
906 1 62 THR HA 1 65 ALA H 5.000 . 6.500 3.687 3.284 4.164 . 0 0 "[ . 1 . 2]" 1
907 1 62 THR HA 1 65 ALA MB 5.000 . 6.500 2.942 2.422 3.640 . 0 0 "[ . 1 . 2]" 1
908 1 62 THR HA 1 66 ILE H 5.000 . 6.500 4.183 3.417 4.872 . 0 0 "[ . 1 . 2]" 1
909 1 62 THR HB 1 63 ASN H 5.000 . 6.500 2.392 2.207 2.551 . 0 0 "[ . 1 . 2]" 1
910 1 62 THR MG 1 63 ASN H 5.000 . 6.500 3.245 2.926 3.513 . 0 0 "[ . 1 . 2]" 1
911 1 62 THR MG 1 63 ASN HA 5.000 . 6.500 3.311 2.984 3.683 . 0 0 "[ . 1 . 2]" 1
912 1 62 THR MG 1 65 ALA MB 5.000 . 6.500 3.845 3.342 4.414 . 0 0 "[ . 1 . 2]" 1
913 1 62 THR MG 1 66 ILE H 5.000 . 6.500 4.057 3.601 4.690 . 0 0 "[ . 1 . 2]" 1
914 1 62 THR MG 1 66 ILE MD 5.000 . 6.500 2.714 2.028 3.740 . 0 0 "[ . 1 . 2]" 1
915 1 62 THR MG 1 66 ILE QG 5.000 . 6.500 2.650 2.099 3.387 . 0 0 "[ . 1 . 2]" 1
916 1 63 ASN H 1 63 ASN HD21 5.000 . 6.500 3.618 1.939 4.714 . 0 0 "[ . 1 . 2]" 1
917 1 63 ASN H 1 63 ASN HD22 5.000 . 6.500 4.549 3.319 5.814 . 0 0 "[ . 1 . 2]" 1
918 1 63 ASN HA 1 64 ARG H 5.000 . 6.500 3.518 3.367 3.566 . 0 0 "[ . 1 . 2]" 1
919 1 63 ASN HA 1 65 ALA H 5.000 . 6.500 4.640 4.261 4.989 . 0 0 "[ . 1 . 2]" 1
920 1 63 ASN HA 1 66 ILE H 5.000 . 6.500 3.670 3.234 4.285 . 0 0 "[ . 1 . 2]" 1
921 1 63 ASN HA 1 66 ILE HB 5.000 . 6.500 2.939 2.158 3.676 . 0 0 "[ . 1 . 2]" 1
922 1 63 ASN HA 1 66 ILE MD 5.000 . 6.500 3.855 1.985 5.572 . 0 0 "[ . 1 . 2]" 1
923 1 63 ASN HA 1 66 ILE HG12 5.000 . 6.500 4.127 2.571 5.784 . 0 0 "[ . 1 . 2]" 1
924 1 63 ASN HA 1 66 ILE HG13 5.000 . 6.500 3.588 2.809 4.515 . 0 0 "[ . 1 . 2]" 1
925 1 63 ASN HA 1 67 SER H 5.000 . 6.500 4.191 3.445 5.186 . 0 0 "[ . 1 . 2]" 1
926 1 63 ASN QB 1 64 ARG QB 5.000 . 6.500 4.384 3.798 4.984 . 0 0 "[ . 1 . 2]" 1
927 1 63 ASN HB2 1 64 ARG H 5.000 . 6.500 3.807 2.469 4.234 . 0 0 "[ . 1 . 2]" 1
928 1 63 ASN HB3 1 64 ARG H 5.000 . 6.500 3.444 2.483 4.314 . 0 0 "[ . 1 . 2]" 1
929 1 64 ARG H 1 64 ARG QB 3.500 . 4.550 2.243 2.170 2.283 . 0 0 "[ . 1 . 2]" 1
930 1 64 ARG H 1 64 ARG QD 5.000 . 6.500 4.502 4.196 4.793 . 0 0 "[ . 1 . 2]" 1
931 1 64 ARG H 1 64 ARG HG2 5.000 . 6.500 4.479 4.374 4.607 . 0 0 "[ . 1 . 2]" 1
932 1 64 ARG H 1 64 ARG HG3 5.000 . 6.500 4.472 4.332 4.547 . 0 0 "[ . 1 . 2]" 1
933 1 64 ARG H 1 65 ALA H 5.000 . 6.500 2.728 2.456 2.976 . 0 0 "[ . 1 . 2]" 1
934 1 64 ARG H 1 65 ALA MB 5.000 . 6.500 4.365 4.108 4.602 . 0 0 "[ . 1 . 2]" 1
935 1 64 ARG HA 1 65 ALA H 5.000 . 6.500 3.568 3.544 3.591 . 0 0 "[ . 1 . 2]" 1
936 1 64 ARG HA 1 67 SER H 5.000 . 6.500 3.647 3.282 4.281 . 0 0 "[ . 1 . 2]" 1
937 1 64 ARG HA 1 67 SER QB 5.000 . 6.500 2.947 2.279 4.089 . 0 0 "[ . 1 . 2]" 1
938 1 64 ARG HA 1 68 LEU H 5.000 . 6.500 4.336 3.861 5.546 . 0 0 "[ . 1 . 2]" 1
939 1 64 ARG QB 1 65 ALA H 5.000 . 6.500 2.409 2.177 2.623 . 0 0 "[ . 1 . 2]" 1
940 1 64 ARG QB 1 65 ALA HA 5.000 . 6.500 4.123 3.939 4.255 . 0 0 "[ . 1 . 2]" 1
941 1 64 ARG QB 1 65 ALA MB 5.000 . 6.500 3.796 3.646 3.923 . 0 0 "[ . 1 . 2]" 1
942 1 64 ARG QB 1 68 LEU QD 5.000 . 6.500 4.004 3.540 5.156 . 0 0 "[ . 1 . 2]" 1
943 1 64 ARG QD 1 65 ALA MB 5.000 . 6.500 4.848 3.801 5.523 . 0 0 "[ . 1 . 2]" 1
944 1 64 ARG HG2 1 65 ALA H 5.000 . 6.500 3.770 3.243 4.820 . 0 0 "[ . 1 . 2]" 1
945 1 64 ARG HG3 1 65 ALA H 5.000 . 6.500 4.623 3.262 5.008 . 0 0 "[ . 1 . 2]" 1
946 1 65 ALA H 1 66 ILE H 2.900 . 3.770 2.807 2.662 2.944 . 0 0 "[ . 1 . 2]" 1
947 1 65 ALA H 1 66 ILE QG 5.000 . 6.500 4.332 3.995 4.602 . 0 0 "[ . 1 . 2]" 1
948 1 65 ALA HA 1 66 ILE H 5.000 . 6.500 3.557 3.459 3.586 . 0 0 "[ . 1 . 2]" 1
949 1 65 ALA HA 1 68 LEU H 5.000 . 6.500 3.678 3.345 4.293 . 0 0 "[ . 1 . 2]" 1
950 1 65 ALA HA 1 68 LEU HB2 5.000 . 6.500 3.115 2.540 4.036 . 0 0 "[ . 1 . 2]" 1
951 1 65 ALA HA 1 68 LEU HB3 5.000 . 6.500 4.689 4.135 5.699 . 0 0 "[ . 1 . 2]" 1
952 1 65 ALA HA 1 68 LEU QD 5.000 . 6.500 2.901 1.953 4.369 . 0 0 "[ . 1 . 2]" 1
953 1 65 ALA HA 1 69 TYR H 5.000 . 6.500 4.391 3.730 5.472 . 0 0 "[ . 1 . 2]" 1
954 1 65 ALA MB 1 66 ILE H 5.000 . 6.500 2.484 2.161 2.931 . 0 0 "[ . 1 . 2]" 1
955 1 65 ALA MB 1 66 ILE HA 5.000 . 6.500 3.871 3.721 4.005 . 0 0 "[ . 1 . 2]" 1
956 1 65 ALA MB 1 66 ILE HB 5.000 . 6.500 4.643 4.305 4.990 . 0 0 "[ . 1 . 2]" 1
957 1 65 ALA MB 1 66 ILE MD 5.000 . 6.500 3.940 3.323 4.563 . 0 0 "[ . 1 . 2]" 1
958 1 65 ALA MB 1 66 ILE QG 5.000 . 6.500 3.228 2.980 3.510 . 0 0 "[ . 1 . 2]" 1
959 1 65 ALA MB 1 67 SER H 5.000 . 6.500 4.588 4.422 4.977 . 0 0 "[ . 1 . 2]" 1
960 1 65 ALA MB 1 68 LEU H 5.000 . 6.500 4.768 4.508 5.151 . 0 0 "[ . 1 . 2]" 1
961 1 65 ALA MB 1 69 TYR H 5.000 . 6.500 4.802 4.468 5.749 . 0 0 "[ . 1 . 2]" 1
962 1 65 ALA MB 1 69 TYR QD 5.000 . 6.500 4.223 3.060 5.514 . 0 0 "[ . 1 . 2]" 1
963 1 66 ILE H 1 66 ILE HB 3.500 . 4.550 2.542 2.450 2.628 . 0 0 "[ . 1 . 2]" 1
964 1 66 ILE H 1 66 ILE MD 5.000 . 6.500 3.375 2.953 3.665 . 0 0 "[ . 1 . 2]" 1
965 1 66 ILE H 1 66 ILE HG12 5.000 . 6.500 2.683 1.951 3.421 . 0 0 "[ . 1 . 2]" 1
966 1 66 ILE H 1 66 ILE HG13 5.000 . 6.500 2.948 2.024 3.670 . 0 0 "[ . 1 . 2]" 1
967 1 66 ILE H 1 67 SER H 5.000 . 6.500 2.783 2.565 2.962 . 0 0 "[ . 1 . 2]" 1
968 1 66 ILE HA 1 67 SER H 5.000 . 6.500 3.557 3.519 3.585 . 0 0 "[ . 1 . 2]" 1
969 1 66 ILE HA 1 69 TYR H 5.000 . 6.500 3.643 3.191 4.486 . 0 0 "[ . 1 . 2]" 1
970 1 66 ILE HA 1 69 TYR HB2 5.000 . 6.500 3.245 2.303 4.679 . 0 0 "[ . 1 . 2]" 1
971 1 66 ILE HA 1 69 TYR HB3 5.000 . 6.500 4.037 2.026 6.198 . 0 0 "[ . 1 . 2]" 1
972 1 66 ILE HA 1 69 TYR QD 5.000 . 6.500 3.422 1.908 5.353 . 0 0 "[ . 1 . 2]" 1
973 1 66 ILE HA 1 70 MET H 5.000 . 6.500 4.482 3.591 5.652 . 0 0 "[ . 1 . 2]" 1
974 1 66 ILE HB 1 67 SER H 5.000 . 6.500 2.583 2.263 2.797 . 0 0 "[ . 1 . 2]" 1
975 1 66 ILE MD 1 67 SER H 5.000 . 6.500 4.629 4.339 4.785 . 0 0 "[ . 1 . 2]" 1
976 1 66 ILE QG 1 67 SER H 5.000 . 6.500 4.031 3.819 4.126 . 0 0 "[ . 1 . 2]" 1
977 1 66 ILE MG 1 67 SER H 5.000 . 6.500 3.351 2.990 3.582 . 0 0 "[ . 1 . 2]" 1
978 1 66 ILE MG 1 67 SER HA 5.000 . 6.500 3.395 3.071 3.650 . 0 0 "[ . 1 . 2]" 1
979 1 66 ILE MG 1 69 TYR HB2 5.000 . 6.500 4.395 3.114 6.021 . 0 0 "[ . 1 . 2]" 1
980 1 66 ILE MG 1 69 TYR HB3 5.000 . 6.500 4.685 3.459 6.737 0.237 18 0 "[ . 1 . 2]" 1
981 1 66 ILE MG 1 69 TYR QD 5.000 . 6.500 4.556 2.775 6.566 0.066 18 0 "[ . 1 . 2]" 1
982 1 66 ILE MG 1 70 MET H 5.000 . 6.500 4.249 3.537 5.379 . 0 0 "[ . 1 . 2]" 1
983 1 66 ILE MG 1 70 MET QB 5.000 . 6.500 3.900 3.162 4.778 . 0 0 "[ . 1 . 2]" 1
984 1 66 ILE MG 1 70 MET HG2 5.000 . 6.500 3.474 2.418 5.900 . 0 0 "[ . 1 . 2]" 1
985 1 66 ILE MG 1 70 MET HG3 5.000 . 6.500 3.258 2.358 5.007 . 0 0 "[ . 1 . 2]" 1
986 1 67 SER H 1 68 LEU H 2.900 . 3.770 2.801 2.658 2.929 . 0 0 "[ . 1 . 2]" 1
987 1 67 SER HA 1 68 LEU H 5.000 . 6.500 3.561 3.504 3.589 . 0 0 "[ . 1 . 2]" 1
988 1 67 SER HA 1 70 MET H 5.000 . 6.500 3.695 3.159 3.988 . 0 0 "[ . 1 . 2]" 1
989 1 67 SER HA 1 70 MET QB 5.000 . 6.500 3.221 2.367 4.731 . 0 0 "[ . 1 . 2]" 1
990 1 67 SER HA 1 70 MET HG2 5.000 . 6.500 4.194 2.392 6.144 . 0 0 "[ . 1 . 2]" 1
991 1 67 SER HA 1 70 MET HG3 5.000 . 6.500 3.653 2.319 4.742 . 0 0 "[ . 1 . 2]" 1
992 1 67 SER HB2 1 68 LEU H 5.000 . 6.500 3.557 2.422 4.014 . 0 0 "[ . 1 . 2]" 1
993 1 67 SER HB3 1 68 LEU H 5.000 . 6.500 2.880 2.264 4.004 . 0 0 "[ . 1 . 2]" 1
994 1 68 LEU H 1 68 LEU HB2 3.500 . 4.550 2.420 2.266 2.542 . 0 0 "[ . 1 . 2]" 1
995 1 68 LEU H 1 68 LEU HG 5.000 . 6.500 3.026 2.194 4.020 . 0 0 "[ . 1 . 2]" 1
996 1 68 LEU H 1 69 TYR H 5.000 . 6.500 2.764 2.587 3.128 . 0 0 "[ . 1 . 2]" 1
997 1 68 LEU H 1 69 TYR QB 5.000 . 6.500 4.602 4.287 5.094 . 0 0 "[ . 1 . 2]" 1
998 1 68 LEU HA 1 69 TYR H 5.000 . 6.500 3.536 3.307 3.608 . 0 0 "[ . 1 . 2]" 1
999 1 68 LEU HA 1 71 ALA H 5.000 . 6.500 3.788 3.242 4.919 . 0 0 "[ . 1 . 2]" 1
1000 1 68 LEU HA 1 71 ALA MB 5.000 . 6.500 2.987 2.150 4.214 . 0 0 "[ . 1 . 2]" 1
1001 1 68 LEU HB2 1 69 TYR H 5.000 . 6.500 2.738 2.262 3.583 . 0 0 "[ . 1 . 2]" 1
1002 1 68 LEU HB2 1 69 TYR HA 5.000 . 6.500 4.537 4.273 5.059 . 0 0 "[ . 1 . 2]" 1
1003 1 68 LEU HB3 1 69 TYR H 5.000 . 6.500 3.575 3.167 4.121 . 0 0 "[ . 1 . 2]" 1
1004 1 68 LEU HB3 1 69 TYR HA 5.000 . 6.500 4.373 4.154 4.633 . 0 0 "[ . 1 . 2]" 1
1005 1 68 LEU QD 1 69 TYR H 5.000 . 6.500 3.995 3.722 4.189 . 0 0 "[ . 1 . 2]" 1
1006 1 68 LEU QD 1 72 ASN QD 5.000 . 6.500 4.563 2.018 6.390 . 0 0 "[ . 1 . 2]" 1
1007 1 68 LEU MD1 1 72 ASN QB 5.000 . 6.500 4.665 2.311 5.878 . 0 0 "[ . 1 . 2]" 1
1008 1 68 LEU MD2 1 72 ASN QB 5.000 . 6.500 4.658 2.988 6.204 . 0 0 "[ . 1 . 2]" 1
1009 1 69 TYR H 1 69 TYR QD 5.000 . 6.500 3.252 2.224 4.211 . 0 0 "[ . 1 . 2]" 1
1010 1 69 TYR H 1 70 MET H 3.500 . 4.550 2.754 2.307 2.958 . 0 0 "[ . 1 . 2]" 1
1011 1 69 TYR HA 1 69 TYR QE 5.000 . 6.500 4.505 4.221 4.847 . 0 0 "[ . 1 . 2]" 1
1012 1 69 TYR HA 1 70 MET H 5.000 . 6.500 3.444 3.068 3.599 . 0 0 "[ . 1 . 2]" 1
1013 1 69 TYR HA 1 72 ASN H 5.000 . 6.500 4.109 3.391 5.281 . 0 0 "[ . 1 . 2]" 1
1014 1 69 TYR HA 1 73 LEU H 5.000 . 6.500 3.869 3.293 4.610 . 0 0 "[ . 1 . 2]" 1
1015 1 69 TYR HB2 1 70 MET H 5.000 . 6.500 3.435 2.485 4.036 . 0 0 "[ . 1 . 2]" 1
1016 1 69 TYR HB3 1 70 MET H 5.000 . 6.500 3.369 2.298 4.378 . 0 0 "[ . 1 . 2]" 1
1017 1 69 TYR QD 1 70 MET H 5.000 . 6.500 4.199 2.616 5.003 . 0 0 "[ . 1 . 2]" 1
1018 1 69 TYR QD 1 70 MET HA 5.000 . 6.500 5.153 3.190 6.092 . 0 0 "[ . 1 . 2]" 1
1019 1 69 TYR QD 1 70 MET QG 5.000 . 6.500 4.777 2.275 5.690 . 0 0 "[ . 1 . 2]" 1
1020 1 69 TYR QD 1 73 LEU QD 5.000 . 6.500 4.410 3.073 5.501 . 0 0 "[ . 1 . 2]" 1
1021 1 69 TYR QE 1 73 LEU QD 5.000 . 6.500 5.041 3.152 6.770 0.270 13 0 "[ . 1 . 2]" 1
1022 1 69 TYR QE 1 73 LEU MD2 5.000 . 6.500 5.290 3.221 7.080 0.580 13 1 "[ . 1 + . 2]" 1
1023 1 70 MET H 1 70 MET HG2 5.000 . 6.500 3.071 2.125 4.081 . 0 0 "[ . 1 . 2]" 1
1024 1 70 MET H 1 70 MET HG3 5.000 . 6.500 3.110 2.152 4.358 . 0 0 "[ . 1 . 2]" 1
1025 1 70 MET H 1 71 ALA H 3.500 . 4.550 2.613 2.265 2.986 . 0 0 "[ . 1 . 2]" 1
1026 1 70 MET H 1 71 ALA MB 5.000 . 6.500 4.257 3.836 4.568 . 0 0 "[ . 1 . 2]" 1
1027 1 70 MET HA 1 71 ALA H 5.000 . 6.500 3.554 3.466 3.589 . 0 0 "[ . 1 . 2]" 1
1028 1 70 MET HA 1 73 LEU H 5.000 . 6.500 3.823 3.279 4.425 . 0 0 "[ . 1 . 2]" 1
1029 1 70 MET HA 1 73 LEU HB2 5.000 . 6.500 3.606 2.253 4.423 . 0 0 "[ . 1 . 2]" 1
1030 1 70 MET HA 1 73 LEU HB3 5.000 . 6.500 3.092 2.624 3.667 . 0 0 "[ . 1 . 2]" 1
1031 1 70 MET HA 1 73 LEU QD 5.000 . 6.500 4.129 3.242 4.739 . 0 0 "[ . 1 . 2]" 1
1032 1 70 MET HA 1 74 GLU H 5.000 . 6.500 4.122 3.616 4.735 . 0 0 "[ . 1 . 2]" 1
1033 1 70 MET QB 1 71 ALA H 3.500 . 4.550 2.581 1.945 3.537 . 0 0 "[ . 1 . 2]" 1
1034 1 70 MET QB 1 71 ALA MB 5.000 . 6.500 3.838 3.388 4.657 . 0 0 "[ . 1 . 2]" 1
1035 1 70 MET HG2 1 71 ALA H 5.000 . 6.500 4.347 2.671 5.169 . 0 0 "[ . 1 . 2]" 1
1036 1 70 MET HG3 1 71 ALA H 5.000 . 6.500 4.031 2.264 4.720 . 0 0 "[ . 1 . 2]" 1
1037 1 71 ALA H 1 72 ASN H 3.500 . 4.550 2.746 2.550 2.905 . 0 0 "[ . 1 . 2]" 1
1038 1 71 ALA H 1 72 ASN QB 5.000 . 6.500 4.487 4.226 4.666 . 0 0 "[ . 1 . 2]" 1
1039 1 71 ALA HA 1 72 ASN H 5.000 . 6.500 3.547 3.301 3.592 . 0 0 "[ . 1 . 2]" 1
1040 1 71 ALA HA 1 74 GLU H 5.000 . 6.500 3.871 3.471 4.532 . 0 0 "[ . 1 . 2]" 1
1041 1 71 ALA HA 1 74 GLU QB 5.000 . 6.500 3.417 2.554 5.059 . 0 0 "[ . 1 . 2]" 1
1042 1 71 ALA HA 1 74 GLU HG2 5.000 . 6.500 4.039 2.183 6.855 0.355 5 0 "[ . 1 . 2]" 1
1043 1 71 ALA HA 1 74 GLU HG3 5.000 . 6.500 4.029 2.964 7.314 0.814 5 1 "[ + 1 . 2]" 1
1044 1 71 ALA HA 1 75 HIS H 5.000 . 6.500 4.320 3.849 5.412 . 0 0 "[ . 1 . 2]" 1
1045 1 71 ALA MB 1 72 ASN H 5.000 . 6.500 2.512 2.159 3.278 . 0 0 "[ . 1 . 2]" 1
1046 1 71 ALA MB 1 72 ASN HA 5.000 . 6.500 3.869 3.745 4.145 . 0 0 "[ . 1 . 2]" 1
1047 1 72 ASN H 1 72 ASN QB 2.900 . 3.770 2.259 2.194 2.382 . 0 0 "[ . 1 . 2]" 1
1048 1 72 ASN H 1 73 LEU H 2.900 . 3.770 2.674 2.221 2.869 . 0 0 "[ . 1 . 2]" 1
1049 1 72 ASN HA 1 73 LEU H 5.000 . 6.500 3.551 3.436 3.593 . 0 0 "[ . 1 . 2]" 1
1050 1 72 ASN HA 1 74 GLU H 5.000 . 6.500 4.692 4.297 5.153 . 0 0 "[ . 1 . 2]" 1
1051 1 72 ASN HA 1 75 HIS H 5.000 . 6.500 3.636 3.124 4.269 . 0 0 "[ . 1 . 2]" 1
1052 1 72 ASN HA 1 75 HIS QB 5.000 . 6.500 2.907 2.307 3.820 . 0 0 "[ . 1 . 2]" 1
1053 1 72 ASN QB 1 73 LEU H 3.500 . 4.550 2.526 2.246 3.083 . 0 0 "[ . 1 . 2]" 1
1054 1 72 ASN QB 1 73 LEU HB2 5.000 . 6.500 4.122 3.825 4.701 . 0 0 "[ . 1 . 2]" 1
1055 1 72 ASN QB 1 73 LEU HB3 5.000 . 6.500 4.958 4.644 5.486 . 0 0 "[ . 1 . 2]" 1
1056 1 73 LEU H 1 73 LEU HG 5.000 . 6.500 4.544 4.491 4.578 . 0 0 "[ . 1 . 2]" 1
1057 1 73 LEU H 1 74 GLU H 2.900 . 3.770 2.873 2.708 3.063 . 0 0 "[ . 1 . 2]" 1
1058 1 73 LEU HA 1 74 GLU H 5.000 . 6.500 3.576 3.557 3.611 . 0 0 "[ . 1 . 2]" 1
1059 1 73 LEU HA 1 76 HIS QB 5.000 . 6.500 2.773 2.199 3.373 . 0 0 "[ . 1 . 2]" 1
1060 1 73 LEU HB2 1 74 GLU H 5.000 . 6.500 3.666 3.510 3.903 . 0 0 "[ . 1 . 2]" 1
1061 1 73 LEU HB3 1 74 GLU H 5.000 . 6.500 2.383 2.156 2.641 . 0 0 "[ . 1 . 2]" 1
1062 1 73 LEU QD 1 74 GLU H 5.000 . 6.500 3.326 2.879 3.961 . 0 0 "[ . 1 . 2]" 1
1063 1 73 LEU MD1 1 76 HIS QB 5.000 . 6.500 3.784 2.383 4.926 . 0 0 "[ . 1 . 2]" 1
1064 1 73 LEU MD2 1 76 HIS QB 5.000 . 6.500 3.648 2.603 5.603 . 0 0 "[ . 1 . 2]" 1
1065 1 73 LEU HG 1 74 GLU H 5.000 . 6.500 4.519 3.443 5.033 . 0 0 "[ . 1 . 2]" 1
1066 1 74 GLU H 1 74 GLU QB 2.900 . 3.770 2.436 2.220 2.669 . 0 0 "[ . 1 . 2]" 1
1067 1 74 GLU H 1 74 GLU HG2 5.000 . 6.500 2.909 2.046 4.635 . 0 0 "[ . 1 . 2]" 1
1068 1 74 GLU H 1 74 GLU HG3 5.000 . 6.500 3.425 1.924 4.559 . 0 0 "[ . 1 . 2]" 1
1069 1 74 GLU HA 1 75 HIS H 5.000 . 6.500 3.554 3.483 3.607 . 0 0 "[ . 1 . 2]" 1
1070 1 74 GLU HA 1 77 HIS H 5.000 . 6.500 3.550 2.995 4.485 . 0 0 "[ . 1 . 2]" 1
1071 1 74 GLU QB 1 75 HIS H 5.000 . 6.500 2.770 2.191 3.619 . 0 0 "[ . 1 . 2]" 1
1072 1 74 GLU HG2 1 75 HIS H 5.000 . 6.500 4.126 2.678 5.163 . 0 0 "[ . 1 . 2]" 1
1073 1 74 GLU HG3 1 75 HIS H 5.000 . 6.500 4.047 2.065 5.354 . 0 0 "[ . 1 . 2]" 1
1074 1 75 HIS HA 1 76 HIS H 5.000 . 6.500 3.492 3.287 3.566 . 0 0 "[ . 1 . 2]" 1
1075 1 75 HIS QB 1 76 HIS H 5.000 . 6.500 2.862 2.532 3.465 . 0 0 "[ . 1 . 2]" 1
1076 1 76 HIS HA 1 77 HIS H 5.000 . 6.500 3.477 3.230 3.565 . 0 0 "[ . 1 . 2]" 1
1077 1 76 HIS QB 1 77 HIS H 5.000 . 6.500 2.865 2.474 3.511 . 0 0 "[ . 1 . 2]" 1
1078 1 76 HIS QB 1 77 HIS HA 5.000 . 6.500 4.242 3.881 4.762 . 0 0 "[ . 1 . 2]" 1
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