NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
555578 |
2lou   |
18225 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lou
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 743
_Distance_constraint_stats_list.Viol_count 1517
_Distance_constraint_stats_list.Viol_total 870.660
_Distance_constraint_stats_list.Viol_max 0.332
_Distance_constraint_stats_list.Viol_rms 0.0061
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0143
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.244 0.064 30 0 "[ . 1 . 2 . 3 . 4]"
1 2 GLU 0.106 0.053 30 0 "[ . 1 . 2 . 3 . 4]"
1 3 GLU 0.305 0.074 24 0 "[ . 1 . 2 . 3 . 4]"
1 4 GLY 0.002 0.001 18 0 "[ . 1 . 2 . 3 . 4]"
1 5 GLY 0.037 0.017 11 0 "[ . 1 . 2 . 3 . 4]"
1 6 ASP 0.497 0.049 17 0 "[ . 1 . 2 . 3 . 4]"
1 7 PHE 0.111 0.022 11 0 "[ . 1 . 2 . 3 . 4]"
1 8 ASP 0.529 0.091 11 0 "[ . 1 . 2 . 3 . 4]"
1 9 ASN 0.309 0.067 33 0 "[ . 1 . 2 . 3 . 4]"
1 10 TYR 0.496 0.067 33 0 "[ . 1 . 2 . 3 . 4]"
1 11 TYR 0.545 0.069 39 0 "[ . 1 . 2 . 3 . 4]"
1 12 GLY 0.210 0.037 39 0 "[ . 1 . 2 . 3 . 4]"
1 13 ALA 0.745 0.069 39 0 "[ . 1 . 2 . 3 . 4]"
1 14 ASP 0.327 0.056 5 0 "[ . 1 . 2 . 3 . 4]"
1 15 ASN 0.126 0.025 5 0 "[ . 1 . 2 . 3 . 4]"
1 16 GLN 0.356 0.084 5 0 "[ . 1 . 2 . 3 . 4]"
1 17 SER 0.278 0.080 5 0 "[ . 1 . 2 . 3 . 4]"
1 18 GLU 0.736 0.064 8 0 "[ . 1 . 2 . 3 . 4]"
1 19 CYS 0.444 0.055 8 0 "[ . 1 . 2 . 3 . 4]"
1 20 GLU 0.246 0.031 14 0 "[ . 1 . 2 . 3 . 4]"
1 21 TYR 0.271 0.067 33 0 "[ . 1 . 2 . 3 . 4]"
1 22 THR 0.400 0.049 19 0 "[ . 1 . 2 . 3 . 4]"
1 23 ASP 0.401 0.049 19 0 "[ . 1 . 2 . 3 . 4]"
1 24 TRP 0.653 0.067 33 0 "[ . 1 . 2 . 3 . 4]"
1 25 LYS 1.124 0.133 31 0 "[ . 1 . 2 . 3 . 4]"
1 26 SER 0.787 0.087 23 0 "[ . 1 . 2 . 3 . 4]"
1 27 SER 0.570 0.066 38 0 "[ . 1 . 2 . 3 . 4]"
1 28 GLY 0.259 0.109 38 0 "[ . 1 . 2 . 3 . 4]"
1 29 ALA 0.958 0.094 38 0 "[ . 1 . 2 . 3 . 4]"
1 30 LEU 2.317 0.109 38 0 "[ . 1 . 2 . 3 . 4]"
1 31 ILE 1.605 0.103 24 0 "[ . 1 . 2 . 3 . 4]"
1 32 PRO 0.245 0.094 38 0 "[ . 1 . 2 . 3 . 4]"
1 33 ALA 1.359 0.103 24 0 "[ . 1 . 2 . 3 . 4]"
1 34 ILE 0.959 0.106 32 0 "[ . 1 . 2 . 3 . 4]"
1 35 TYR 0.334 0.028 26 0 "[ . 1 . 2 . 3 . 4]"
1 36 MET 0.356 0.063 34 0 "[ . 1 . 2 . 3 . 4]"
1 37 LEU 0.534 0.063 34 0 "[ . 1 . 2 . 3 . 4]"
1 38 VAL 0.453 0.104 19 0 "[ . 1 . 2 . 3 . 4]"
1 39 PHE 0.382 0.049 13 0 "[ . 1 . 2 . 3 . 4]"
1 40 LEU 0.246 0.023 23 0 "[ . 1 . 2 . 3 . 4]"
1 41 LEU 0.575 0.104 19 0 "[ . 1 . 2 . 3 . 4]"
1 42 GLY 1.034 0.056 21 0 "[ . 1 . 2 . 3 . 4]"
1 43 THR 1.307 0.074 24 0 "[ . 1 . 2 . 3 . 4]"
1 44 THR 0.700 0.049 13 0 "[ . 1 . 2 . 3 . 4]"
1 45 GLY 1.070 0.165 35 0 "[ . 1 . 2 . 3 . 4]"
1 46 ASN 1.685 0.165 35 0 "[ . 1 . 2 . 3 . 4]"
1 47 GLY 0.439 0.064 23 0 "[ . 1 . 2 . 3 . 4]"
1 48 LEU 2.153 0.178 23 0 "[ . 1 . 2 . 3 . 4]"
1 49 VAL 1.045 0.119 10 0 "[ . 1 . 2 . 3 . 4]"
1 50 LEU 1.020 0.064 23 0 "[ . 1 . 2 . 3 . 4]"
1 51 TRP 1.494 0.116 39 0 "[ . 1 . 2 . 3 . 4]"
1 52 THR 0.777 0.055 29 0 "[ . 1 . 2 . 3 . 4]"
1 53 VAL 1.497 0.332 40 0 "[ . 1 . 2 . 3 . 4]"
1 54 PHE 0.305 0.143 34 0 "[ . 1 . 2 . 3 . 4]"
1 55 ARG 0.474 0.143 34 0 "[ . 1 . 2 . 3 . 4]"
1 56 LYS 1.749 0.332 40 0 "[ . 1 . 2 . 3 . 4]"
1 57 LYS 1.198 0.104 29 0 "[ . 1 . 2 . 3 . 4]"
1 58 GLY 0.283 0.035 4 0 "[ . 1 . 2 . 3 . 4]"
1 59 HIS 0.069 0.011 3 0 "[ . 1 . 2 . 3 . 4]"
1 60 HIS 0.108 0.062 37 0 "[ . 1 . 2 . 3 . 4]"
1 61 HIS 0.022 0.013 37 0 "[ . 1 . 2 . 3 . 4]"
1 62 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 63 HIS 0.001 0.001 11 0 "[ . 1 . 2 . 3 . 4]"
1 64 HIS 0.001 0.001 11 0 "[ . 1 . 2 . 3 . 4]"
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 1 MET HA 1 1 MET QB 2.300 . 2.800 2.360 2.179 2.546 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
2 1 1 MET HA 1 1 MET QG 3.400 . 4.000 2.545 2.228 3.372 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
3 1 1 MET HA 1 2 GLU H . . 2.800 2.455 2.154 2.853 0.053 30 0 "[ . 1 . 2 . 3 . 4]" 1
4 1 1 MET HA 1 3 GLU QG 3.400 . 5.000 4.497 3.040 5.064 0.064 30 0 "[ . 1 . 2 . 3 . 4]" 1
5 1 1 MET QB 1 2 GLU H 3.400 . 5.000 3.368 1.843 4.061 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
6 1 1 MET QB 1 3 GLU H 3.400 . 5.000 4.221 2.812 5.004 0.004 24 0 "[ . 1 . 2 . 3 . 4]" 1
7 1 1 MET QG 1 2 GLU H 3.900 . 6.000 4.069 2.330 4.833 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
8 1 2 GLU H 1 2 GLU HA 2.900 . 4.000 2.747 2.297 2.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
9 1 2 GLU H 1 2 GLU QB 2.900 . 4.000 2.666 2.187 3.372 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
10 1 2 GLU H 1 2 GLU QG 3.400 . 5.000 3.178 2.012 4.379 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
11 1 2 GLU H 1 3 GLU H 3.400 . 5.000 3.311 2.444 4.496 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
12 1 2 GLU HA 1 2 GLU QB . . 2.800 2.398 2.223 2.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
13 1 2 GLU HA 1 2 GLU QG 2.300 . 2.800 2.407 2.170 2.739 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
14 1 2 GLU HA 1 3 GLU H 2.300 . 2.800 2.566 2.148 2.801 0.001 35 0 "[ . 1 . 2 . 3 . 4]" 1
15 1 2 GLU QB 1 2 GLU QG 2.300 . 2.800 2.073 2.002 2.108 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
16 1 2 GLU QB 1 3 GLU H . . 2.800 2.339 2.067 2.790 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
17 1 2 GLU QG 1 3 GLU QG 2.900 . 4.000 2.546 1.866 3.878 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
18 1 3 GLU H 1 3 GLU HA 2.300 . 2.800 2.779 2.719 2.874 0.074 24 0 "[ . 1 . 2 . 3 . 4]" 1
19 1 3 GLU H 1 3 GLU QB 2.900 . 4.000 2.362 2.075 2.862 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
20 1 3 GLU H 1 3 GLU QG 2.900 . 4.000 2.551 1.867 3.931 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
21 1 3 GLU HA 1 3 GLU QB 2.300 . 2.800 2.432 2.221 2.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
22 1 3 GLU HA 1 3 GLU QG . . 2.800 2.325 2.144 2.725 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
23 1 3 GLU HA 1 4 GLY H 2.300 . 2.800 2.293 2.146 2.694 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
24 1 3 GLU HA 1 5 GLY H 2.900 . 4.000 3.819 3.306 4.003 0.003 25 0 "[ . 1 . 2 . 3 . 4]" 1
25 1 3 GLU QB 1 3 GLU QG 2.300 . 2.800 2.086 2.022 2.108 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
26 1 3 GLU QB 1 4 GLY H 2.900 . 4.000 2.849 1.854 3.708 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
27 1 3 GLU QG 1 4 GLY H 2.900 . 4.000 3.709 2.714 4.000 0.000 32 0 "[ . 1 . 2 . 3 . 4]" 1
28 1 4 GLY H 1 4 GLY QA 2.300 . 2.800 2.361 2.196 2.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
29 1 4 GLY H 1 5 GLY H . . 2.800 2.236 1.799 2.798 0.001 18 0 "[ . 1 . 2 . 3 . 4]" 1
30 1 5 GLY H 1 5 GLY QA 2.300 . 2.800 2.346 2.196 2.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
31 1 5 GLY H 1 8 ASP QB 3.400 . 5.000 4.514 2.181 5.005 0.005 25 0 "[ . 1 . 2 . 3 . 4]" 1
32 1 5 GLY QA 1 6 ASP H 2.300 . 2.800 2.235 2.120 2.800 0.000 16 0 "[ . 1 . 2 . 3 . 4]" 1
33 1 5 GLY QA 1 6 ASP QB 2.900 . 4.000 3.895 3.569 4.017 0.017 11 0 "[ . 1 . 2 . 3 . 4]" 1
34 1 5 GLY QA 1 7 PHE QD 3.400 . 5.000 4.431 2.335 5.006 0.006 6 0 "[ . 1 . 2 . 3 . 4]" 1
35 1 6 ASP H 1 6 ASP HA 2.300 . 2.800 2.693 2.302 2.849 0.049 17 0 "[ . 1 . 2 . 3 . 4]" 1
36 1 6 ASP H 1 6 ASP QB 2.300 . 2.800 2.291 2.043 2.824 0.024 20 0 "[ . 1 . 2 . 3 . 4]" 1
37 1 6 ASP HA 1 6 ASP QB 2.300 . 2.800 2.463 2.168 2.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
38 1 6 ASP HA 1 7 PHE QB 3.400 . 5.000 4.760 3.895 5.022 0.022 11 0 "[ . 1 . 2 . 3 . 4]" 1
39 1 7 PHE H 1 7 PHE HA 2.900 . 4.000 2.771 2.288 2.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
40 1 7 PHE H 1 7 PHE QB 2.900 . 4.000 2.817 2.057 3.450 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
41 1 7 PHE H 1 7 PHE QD 3.900 . 5.000 3.177 1.817 4.491 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
42 1 7 PHE HA 1 7 PHE QD 3.400 . 5.000 3.093 2.343 3.697 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
43 1 7 PHE QB 1 7 PHE QD 2.900 . 4.000 2.159 2.149 2.210 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
44 1 8 ASP H 1 8 ASP HA . . 2.800 2.730 2.313 2.891 0.091 11 0 "[ . 1 . 2 . 3 . 4]" 1
45 1 8 ASP H 1 8 ASP QB 2.300 . 2.800 2.384 2.042 2.815 0.015 31 0 "[ . 1 . 2 . 3 . 4]" 1
46 1 8 ASP HA 1 8 ASP QB . . 2.800 2.415 2.180 2.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
47 1 8 ASP HA 1 9 ASN H 2.900 . 4.000 2.323 2.147 3.503 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
48 1 8 ASP HA 1 10 TYR H 2.900 . 4.000 3.659 2.926 4.000 0.000 35 0 "[ . 1 . 2 . 3 . 4]" 1
49 1 8 ASP HA 1 11 TYR QE 3.900 . 6.000 4.362 4.064 5.123 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
50 1 8 ASP QB 1 9 ASN H 2.900 . 4.000 3.607 2.089 4.005 0.005 38 0 "[ . 1 . 2 . 3 . 4]" 1
51 1 9 ASN H 1 9 ASN HA 2.900 . 4.000 2.902 2.302 2.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
52 1 9 ASN H 1 9 ASN QB . . 2.800 2.640 2.133 2.822 0.022 31 0 "[ . 1 . 2 . 3 . 4]" 1
53 1 9 ASN H 1 9 ASN QD 3.900 . 5.000 4.126 1.807 5.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
54 1 9 ASN H 1 10 TYR H 2.300 . 2.800 2.201 1.761 2.808 0.039 33 0 "[ . 1 . 2 . 3 . 4]" 1
55 1 9 ASN H 1 10 TYR QE 3.900 . 6.000 5.450 3.884 6.067 0.067 33 0 "[ . 1 . 2 . 3 . 4]" 1
56 1 9 ASN H 1 11 TYR QB 3.400 . 5.000 4.588 3.948 5.044 0.044 33 0 "[ . 1 . 2 . 3 . 4]" 1
57 1 9 ASN HA 1 9 ASN QB 2.300 . 2.800 2.347 2.167 2.533 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
58 1 9 ASN HA 1 9 ASN QD 3.400 . 5.000 3.469 1.811 4.433 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
59 1 9 ASN HA 1 10 TYR H 2.900 . 4.000 3.303 2.877 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
60 1 9 ASN QB 1 9 ASN QD 2.900 . 4.000 2.353 2.179 2.816 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
61 1 9 ASN QB 1 10 TYR H 2.900 . 4.000 3.280 2.353 3.996 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
62 1 9 ASN QD 1 13 ALA MB 3.900 . 6.000 5.600 4.474 6.001 0.001 35 0 "[ . 1 . 2 . 3 . 4]" 1
63 1 10 TYR H 1 10 TYR HA 2.900 . 4.000 2.555 2.284 2.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
64 1 10 TYR H 1 10 TYR QB 2.900 . 4.000 3.049 2.268 3.488 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
65 1 10 TYR H 1 10 TYR QD 3.400 . 4.000 2.914 2.154 3.685 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
66 1 10 TYR H 1 13 ALA MB 3.900 . 6.000 5.416 3.991 6.031 0.031 36 0 "[ . 1 . 2 . 3 . 4]" 1
67 1 10 TYR HA 1 10 TYR QB . . 2.800 2.322 2.208 2.542 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
68 1 10 TYR HA 1 10 TYR QD 3.400 . 5.000 2.580 2.336 3.145 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
69 1 10 TYR HA 1 10 TYR QE 3.400 . 5.000 4.567 4.157 4.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
70 1 10 TYR HA 1 11 TYR H 2.900 . 4.000 3.550 3.472 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
71 1 10 TYR QB 1 10 TYR QD 2.900 . 4.000 2.166 2.149 2.206 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
72 1 10 TYR QB 1 11 TYR H 2.300 . 2.800 2.246 1.815 2.862 0.062 18 0 "[ . 1 . 2 . 3 . 4]" 1
73 1 10 TYR QB 1 13 ALA HA 2.900 . 4.000 3.854 2.962 4.043 0.043 18 0 "[ . 1 . 2 . 3 . 4]" 1
74 1 10 TYR QD 1 11 TYR H 3.400 . 5.000 3.744 2.667 4.647 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
75 1 10 TYR QD 1 11 TYR HA 3.900 . 6.000 5.345 4.575 5.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
76 1 10 TYR QD 1 13 ALA MB 3.900 . 6.000 3.587 2.230 4.974 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
77 1 11 TYR H 1 11 TYR HA 2.300 . 2.800 2.311 2.292 2.693 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
78 1 11 TYR H 1 11 TYR QB 2.900 . 4.000 2.975 2.291 3.081 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
79 1 11 TYR H 1 11 TYR QD 3.400 . 5.000 4.075 1.956 4.543 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
80 1 11 TYR H 1 13 ALA HA 3.400 . 5.000 4.852 4.562 5.037 0.037 39 0 "[ . 1 . 2 . 3 . 4]" 1
81 1 11 TYR HA 1 11 TYR QB 2.300 . 2.800 2.453 2.164 2.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
82 1 11 TYR HA 1 11 TYR QD 2.900 . 4.000 2.744 2.344 3.117 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
83 1 11 TYR HA 1 11 TYR QD 3.900 . 6.000 2.744 2.343 3.116 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
84 1 11 TYR HA 1 12 GLY H 2.900 . 4.000 2.878 2.152 3.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
85 1 11 TYR HA 1 13 ALA MB 3.400 . 5.000 4.493 3.830 5.069 0.069 39 0 "[ . 1 . 2 . 3 . 4]" 1
86 1 11 TYR QB 1 11 TYR QD 2.900 . 4.000 2.158 2.148 2.204 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
87 1 11 TYR QB 1 12 GLY H 2.900 . 4.000 2.661 1.805 3.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
88 1 11 TYR QB 1 13 ALA MB 3.400 . 5.000 4.933 4.324 5.034 0.034 18 0 "[ . 1 . 2 . 3 . 4]" 1
89 1 11 TYR QD 1 12 GLY H 3.400 . 5.000 2.835 1.803 4.234 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
90 1 11 TYR QD 1 13 ALA MB 3.900 . 6.000 5.700 5.318 5.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
91 1 12 GLY H 1 12 GLY QA 2.300 . 2.800 2.207 2.195 2.264 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
92 1 12 GLY H 1 13 ALA H 2.900 . 4.000 3.023 2.484 4.018 0.018 39 0 "[ . 1 . 2 . 3 . 4]" 1
93 1 12 GLY QA 1 13 ALA H . . 2.800 2.688 2.314 2.823 0.023 18 0 "[ . 1 . 2 . 3 . 4]" 1
94 1 12 GLY QA 1 13 ALA MB 3.400 . 5.000 4.034 3.626 4.238 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
95 1 12 GLY QA 1 15 ASN QB 2.900 . 4.000 3.431 2.116 4.025 0.025 5 0 "[ . 1 . 2 . 3 . 4]" 1
96 1 13 ALA H 1 13 ALA HA 2.900 . 4.000 2.658 2.294 2.949 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
97 1 13 ALA H 1 13 ALA MB 2.900 . 4.000 2.424 2.066 2.943 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
98 1 13 ALA H 1 14 ASP H 3.400 . 5.000 3.307 1.821 4.650 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
99 1 13 ALA HA 1 14 ASP H 2.900 . 4.000 3.289 2.342 3.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
100 1 13 ALA MB 1 14 ASP H 2.900 . 4.000 2.452 1.796 3.687 0.004 9 0 "[ . 1 . 2 . 3 . 4]" 1
101 1 13 ALA MB 1 14 ASP HA 3.400 . 5.000 3.905 3.551 5.045 0.045 37 0 "[ . 1 . 2 . 3 . 4]" 1
102 1 13 ALA MB 1 15 ASN QB 3.400 . 5.000 4.389 2.343 4.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
103 1 13 ALA MB 1 16 GLN QG 3.400 . 5.000 4.883 4.504 5.041 0.041 5 0 "[ . 1 . 2 . 3 . 4]" 1
104 1 14 ASP H 1 14 ASP HA 2.300 . 2.800 2.699 2.306 2.804 0.004 35 0 "[ . 1 . 2 . 3 . 4]" 1
105 1 14 ASP H 1 14 ASP QB . . 2.800 2.419 2.046 2.821 0.021 5 0 "[ . 1 . 2 . 3 . 4]" 1
106 1 14 ASP H 1 15 ASN H 2.300 . 2.800 2.751 2.670 2.820 0.020 31 0 "[ . 1 . 2 . 3 . 4]" 1
107 1 14 ASP HA 1 14 ASP QB 2.300 . 2.800 2.336 2.157 2.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
108 1 14 ASP HA 1 17 SER H 2.900 . 4.000 3.962 3.425 4.056 0.056 5 0 "[ . 1 . 2 . 3 . 4]" 1
109 1 15 ASN H 1 15 ASN HA 2.900 . 4.000 2.812 2.721 2.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
110 1 15 ASN H 1 15 ASN QB 2.300 . 2.800 2.207 2.054 2.681 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
111 1 15 ASN H 1 15 ASN QD 3.900 . 6.000 4.147 2.175 4.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
112 1 15 ASN HA 1 15 ASN QB 2.300 . 2.800 2.454 2.286 2.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
113 1 15 ASN HA 1 15 ASN QD 3.400 . 5.000 2.930 1.858 4.121 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
114 1 15 ASN HA 1 16 GLN H 2.900 . 4.000 3.508 3.260 3.572 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
115 1 15 ASN HA 1 19 CYS QB 3.400 . 5.000 4.390 3.215 5.004 0.004 36 0 "[ . 1 . 2 . 3 . 4]" 1
116 1 15 ASN QB 1 15 ASN QD 2.900 . 4.000 2.380 2.178 2.817 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
117 1 15 ASN QB 1 16 GLN H 2.900 . 4.000 2.716 2.260 3.423 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
118 1 16 GLN H 1 16 GLN HA 2.900 . 4.000 2.943 2.932 2.953 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
119 1 16 GLN H 1 16 GLN QB 2.300 . 2.800 2.682 2.401 2.884 0.084 5 0 "[ . 1 . 2 . 3 . 4]" 1
120 1 16 GLN H 1 16 GLN QG 2.300 . 2.800 2.328 1.918 2.801 0.001 20 0 "[ . 1 . 2 . 3 . 4]" 1
121 1 16 GLN HA 1 16 GLN QB 2.300 . 2.800 2.279 2.196 2.385 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
122 1 16 GLN HA 1 16 GLN QG . . 2.800 2.529 2.379 2.812 0.012 5 0 "[ . 1 . 2 . 3 . 4]" 1
123 1 16 GLN HA 1 17 SER H 2.300 . 2.800 2.792 2.655 2.880 0.080 5 0 "[ . 1 . 2 . 3 . 4]" 1
124 1 16 GLN HA 1 19 CYS QB 3.400 . 5.000 3.989 2.879 4.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
125 1 16 GLN QB 1 16 GLN QG 2.300 . 2.800 2.090 2.041 2.107 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
126 1 16 GLN QB 1 17 SER H 2.900 . 4.000 3.886 3.856 3.915 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
127 1 16 GLN QE 1 16 GLN QG 2.900 . 4.000 2.324 2.179 2.783 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
128 1 16 GLN QG 1 17 SER H 3.400 . 5.000 4.362 4.249 4.516 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
129 1 17 SER H 1 17 SER HA 2.900 . 4.000 2.931 2.887 2.950 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
130 1 17 SER H 1 17 SER QB 2.300 . 2.800 2.635 2.178 2.794 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
131 1 17 SER HA 1 17 SER QB 2.300 . 2.800 2.408 2.158 2.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
132 1 17 SER HA 1 18 GLU H 2.300 . 2.800 2.498 2.138 2.801 0.001 28 0 "[ . 1 . 2 . 3 . 4]" 1
133 1 17 SER QB 1 18 GLU H 2.900 . 4.000 2.911 1.831 3.925 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
134 1 17 SER QB 1 19 CYS QB 3.400 . 5.000 4.510 3.640 5.005 0.005 25 0 "[ . 1 . 2 . 3 . 4]" 1
135 1 18 GLU H 1 18 GLU HA 2.300 . 2.800 2.621 2.306 2.850 0.050 26 0 "[ . 1 . 2 . 3 . 4]" 1
136 1 18 GLU H 1 18 GLU QB . . 2.800 2.632 2.277 2.853 0.053 11 0 "[ . 1 . 2 . 3 . 4]" 1
137 1 18 GLU H 1 18 GLU QG 2.900 . 4.000 2.670 1.803 4.064 0.064 8 0 "[ . 1 . 2 . 3 . 4]" 1
138 1 18 GLU H 1 22 THR MG 3.400 . 5.000 4.652 3.605 5.023 0.023 37 0 "[ . 1 . 2 . 3 . 4]" 1
139 1 18 GLU HA 1 18 GLU QB 2.300 . 2.800 2.323 2.172 2.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
140 1 18 GLU HA 1 18 GLU QG 2.900 . 4.000 2.671 2.135 3.349 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
141 1 18 GLU HA 1 19 CYS H 2.300 . 2.800 2.429 2.147 2.855 0.055 8 0 "[ . 1 . 2 . 3 . 4]" 1
142 1 18 GLU HA 1 21 TYR H 2.900 . 4.000 3.906 3.428 4.016 0.016 35 0 "[ . 1 . 2 . 3 . 4]" 1
143 1 18 GLU QB 1 18 GLU QG 2.300 . 2.800 2.078 1.999 2.108 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
144 1 18 GLU QB 1 19 CYS H 2.900 . 4.000 3.813 3.294 4.043 0.043 26 0 "[ . 1 . 2 . 3 . 4]" 1
145 1 19 CYS H 1 19 CYS HA 2.900 . 4.000 2.918 2.746 2.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
146 1 19 CYS H 1 19 CYS QB . . 2.800 2.500 2.183 2.827 0.027 14 0 "[ . 1 . 2 . 3 . 4]" 1
147 1 19 CYS H 1 20 GLU H 2.900 . 4.000 2.763 1.799 4.031 0.031 14 0 "[ . 1 . 2 . 3 . 4]" 1
148 1 19 CYS HA 1 19 CYS QB 2.300 . 2.800 2.386 2.180 2.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
149 1 19 CYS HA 1 20 GLU H 2.900 . 4.000 3.142 2.198 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
150 1 19 CYS HA 1 20 GLU QG 2.900 . 4.000 3.721 3.017 4.021 0.021 9 0 "[ . 1 . 2 . 3 . 4]" 1
151 1 19 CYS QB 1 20 GLU H 2.900 . 4.000 3.074 2.018 4.012 0.012 19 0 "[ . 1 . 2 . 3 . 4]" 1
152 1 19 CYS QB 1 20 GLU HA 3.900 . 6.000 4.311 3.913 4.731 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
153 1 19 CYS QB 1 22 THR HB 3.400 . 5.000 4.095 2.312 5.006 0.006 37 0 "[ . 1 . 2 . 3 . 4]" 1
154 1 20 GLU H 1 20 GLU HA 2.900 . 4.000 2.709 2.294 2.959 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
155 1 20 GLU H 1 20 GLU QB 2.900 . 4.000 3.046 2.631 3.467 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
156 1 20 GLU H 1 20 GLU QG 2.900 . 4.000 2.723 2.110 3.388 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
157 1 20 GLU H 1 21 TYR H 2.900 . 4.000 2.416 1.790 3.213 0.010 26 0 "[ . 1 . 2 . 3 . 4]" 1
158 1 20 GLU H 1 21 TYR QD 3.900 . 6.000 3.155 1.833 4.953 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
159 1 20 GLU H 1 21 TYR QE 3.900 . 6.000 4.439 2.430 6.014 0.014 35 0 "[ . 1 . 2 . 3 . 4]" 1
160 1 20 GLU HA 1 20 GLU QB . . 2.800 2.311 2.158 2.450 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
161 1 20 GLU HA 1 20 GLU QG 2.900 . 4.000 2.570 2.243 3.273 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
162 1 20 GLU HA 1 21 TYR H 2.900 . 4.000 2.977 2.458 3.570 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
163 1 20 GLU HA 1 22 THR H 3.400 . 5.000 3.584 3.063 4.963 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
164 1 20 GLU HA 1 23 ASP H 2.900 . 4.000 3.794 3.124 4.029 0.029 35 0 "[ . 1 . 2 . 3 . 4]" 1
165 1 20 GLU QB 1 20 GLU QG 2.300 . 2.800 2.087 2.020 2.108 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
166 1 20 GLU QB 1 21 TYR H 2.900 . 4.000 3.648 2.252 4.004 0.004 10 0 "[ . 1 . 2 . 3 . 4]" 1
167 1 20 GLU QB 1 21 TYR HA 3.400 . 5.000 4.231 3.791 4.516 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
168 1 20 GLU QB 1 24 TRP HE1 3.400 . 5.000 4.359 2.330 5.005 0.005 5 0 "[ . 1 . 2 . 3 . 4]" 1
169 1 20 GLU QG 1 21 TYR H 3.400 . 5.000 4.168 2.564 4.651 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
170 1 21 TYR H 1 21 TYR HA 2.900 . 4.000 2.930 2.835 2.956 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
171 1 21 TYR H 1 21 TYR QB 2.900 . 4.000 2.623 2.219 3.094 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
172 1 21 TYR H 1 21 TYR QD 3.400 . 4.000 2.603 1.830 3.391 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
173 1 21 TYR H 1 21 TYR QE 3.400 . 5.000 4.520 3.586 5.015 0.015 14 0 "[ . 1 . 2 . 3 . 4]" 1
174 1 21 TYR H 1 22 THR H 2.900 . 4.000 2.507 1.803 4.013 0.013 35 0 "[ . 1 . 2 . 3 . 4]" 1
175 1 21 TYR HA 1 21 TYR QB . . 2.800 2.316 2.159 2.484 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
176 1 21 TYR HA 1 21 TYR QD 2.900 . 4.000 2.980 2.335 3.686 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
177 1 21 TYR HA 1 22 THR H 2.900 . 4.000 2.995 2.229 3.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
178 1 21 TYR HA 1 22 THR MG 3.400 . 5.000 4.317 3.810 4.878 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
179 1 21 TYR QB 1 21 TYR QD 2.900 . 4.000 2.157 2.149 2.198 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
180 1 21 TYR QB 1 22 THR H 3.400 . 5.000 3.711 2.361 4.055 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
181 1 21 TYR QD 1 22 THR H 3.900 . 6.000 4.378 3.109 4.918 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
182 1 22 THR H 1 22 THR HA 2.900 . 4.000 2.855 2.289 2.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
183 1 22 THR H 1 22 THR HB 2.900 . 4.000 3.636 3.172 3.938 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
184 1 22 THR H 1 22 THR MG 2.900 . 4.000 2.449 1.799 3.950 0.001 28 0 "[ . 1 . 2 . 3 . 4]" 1
185 1 22 THR H 1 23 ASP H 2.900 . 4.000 1.963 1.788 2.817 0.012 9 0 "[ . 1 . 2 . 3 . 4]" 1
186 1 22 THR H 1 25 LYS QE 3.400 . 5.000 4.637 2.620 5.003 0.003 4 0 "[ . 1 . 2 . 3 . 4]" 1
187 1 22 THR HA 1 22 THR MG 2.900 . 4.000 3.025 2.367 3.193 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
188 1 22 THR HA 1 23 ASP H 2.900 . 4.000 3.529 3.371 3.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
189 1 22 THR HA 1 24 TRP HE1 3.900 . 6.000 4.644 2.842 6.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
190 1 22 THR HA 1 25 LYS H 3.400 . 5.000 3.862 3.288 5.048 0.048 37 0 "[ . 1 . 2 . 3 . 4]" 1
191 1 22 THR HA 1 25 LYS QB 3.400 . 5.000 3.660 2.284 5.004 0.004 6 0 "[ . 1 . 2 . 3 . 4]" 1
192 1 22 THR HB 1 23 ASP H 2.900 . 4.000 3.965 3.792 4.049 0.049 19 0 "[ . 1 . 2 . 3 . 4]" 1
193 1 22 THR MG 1 23 ASP H 2.900 . 4.000 2.269 1.793 3.761 0.007 19 0 "[ . 1 . 2 . 3 . 4]" 1
194 1 22 THR MG 1 23 ASP QB 3.400 . 5.000 3.541 2.739 5.027 0.027 37 0 "[ . 1 . 2 . 3 . 4]" 1
195 1 22 THR MG 1 24 TRP H 3.900 . 6.000 4.385 3.889 5.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
196 1 22 THR MG 1 24 TRP HE1 3.900 . 6.000 4.711 3.551 5.614 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
197 1 23 ASP H 1 23 ASP HA 2.900 . 4.000 2.845 2.701 2.938 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
198 1 23 ASP H 1 23 ASP QB 2.900 . 4.000 2.301 2.053 2.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
199 1 23 ASP HA 1 23 ASP QB 2.300 . 2.800 2.388 2.177 2.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
200 1 23 ASP HA 1 24 TRP H 2.900 . 4.000 3.195 2.535 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
201 1 23 ASP QB 1 24 TRP H 2.900 . 4.000 3.320 2.061 4.024 0.024 40 0 "[ . 1 . 2 . 3 . 4]" 1
202 1 24 TRP H 1 24 TRP HA 2.900 . 4.000 2.897 2.717 2.953 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
203 1 24 TRP H 1 24 TRP QB 2.900 . 4.000 2.884 2.206 3.344 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
204 1 24 TRP H 1 24 TRP HD1 2.900 . 4.000 2.451 1.814 3.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
205 1 24 TRP H 1 24 TRP HE1 3.400 . 5.000 4.462 3.567 5.002 0.002 6 0 "[ . 1 . 2 . 3 . 4]" 1
206 1 24 TRP H 1 24 TRP HE3 3.900 . 6.000 5.393 4.771 5.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
207 1 24 TRP H 1 25 LYS H 2.900 . 4.000 2.376 1.752 3.909 0.048 5 0 "[ . 1 . 2 . 3 . 4]" 1
208 1 24 TRP HA 1 24 TRP HD1 3.400 . 5.000 4.235 3.876 4.615 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
209 1 24 TRP HA 1 24 TRP HE3 3.400 . 5.000 4.371 3.791 4.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
210 1 24 TRP HA 1 25 LYS H 2.900 . 4.000 3.357 2.157 3.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
211 1 24 TRP QB 1 24 TRP HD1 3.400 . 5.000 2.709 2.529 2.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
212 1 24 TRP QB 1 24 TRP HE3 3.400 . 4.000 2.513 2.445 2.726 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
213 1 24 TRP QB 1 25 LYS H 3.400 . 5.000 3.407 2.075 4.062 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
214 1 24 TRP HE1 1 25 LYS QE 3.400 . 5.000 4.733 3.541 5.058 0.058 37 0 "[ . 1 . 2 . 3 . 4]" 1
215 1 24 TRP HE3 1 26 SER HA 3.400 . 5.000 4.700 2.660 5.032 0.032 27 0 "[ . 1 . 2 . 3 . 4]" 1
216 1 25 LYS H 1 25 LYS HA 2.900 . 4.000 2.514 2.290 2.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
217 1 25 LYS H 1 25 LYS QB 2.900 . 4.000 2.615 2.052 3.242 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
218 1 25 LYS H 1 25 LYS QD 3.400 . 5.000 3.867 2.250 4.988 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
219 1 25 LYS H 1 25 LYS QE 3.400 . 5.000 4.054 2.969 4.866 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
220 1 25 LYS H 1 25 LYS QG 2.900 . 4.000 3.484 1.940 4.133 0.133 31 0 "[ . 1 . 2 . 3 . 4]" 1
221 1 25 LYS H 1 28 GLY H 3.400 . 5.000 3.755 2.874 4.765 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
222 1 25 LYS HA 1 25 LYS QG 2.900 . 4.000 2.348 2.134 3.300 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
223 1 25 LYS HA 1 26 SER H 2.900 . 4.000 2.759 2.146 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
224 1 25 LYS QB 1 26 SER H 2.900 . 4.000 3.106 1.783 4.011 0.017 27 0 "[ . 1 . 2 . 3 . 4]" 1
225 1 25 LYS QE 1 25 LYS QG 2.900 . 4.000 2.257 2.096 2.782 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
226 1 25 LYS QG 1 26 SER H 3.400 . 5.000 3.505 1.873 4.869 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
227 1 26 SER H 1 26 SER HA 2.900 . 4.000 2.782 2.294 2.949 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
228 1 26 SER H 1 26 SER QB 2.900 . 4.000 3.007 2.186 3.513 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
229 1 26 SER H 1 27 SER H 2.900 . 4.000 3.488 2.619 4.014 0.014 25 0 "[ . 1 . 2 . 3 . 4]" 1
230 1 26 SER H 1 27 SER HA 3.400 . 5.000 4.728 4.263 5.048 0.048 30 0 "[ . 1 . 2 . 3 . 4]" 1
231 1 26 SER HA 1 26 SER QB 2.300 . 2.800 2.244 2.156 2.509 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
232 1 26 SER HA 1 27 SER H 2.900 . 4.000 2.677 2.147 3.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
233 1 26 SER HA 1 29 ALA H 2.900 . 4.000 3.777 3.049 4.087 0.087 23 0 "[ . 1 . 2 . 3 . 4]" 1
234 1 26 SER HA 1 29 ALA MB 3.900 . 6.000 4.570 2.274 5.969 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
235 1 26 SER QB 1 27 SER H 2.900 . 4.000 3.147 1.935 3.875 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
236 1 26 SER QB 1 29 ALA MB 3.900 . 6.000 2.995 1.851 4.094 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
237 1 26 SER QB 1 29 ALA HA 2.900 . 4.000 3.042 2.085 4.044 0.044 22 0 "[ . 1 . 2 . 3 . 4]" 1
238 1 26 SER QB 1 30 LEU H 2.900 . 4.000 3.444 1.952 4.025 0.025 31 0 "[ . 1 . 2 . 3 . 4]" 1
239 1 27 SER H 1 27 SER HA 2.900 . 4.000 2.667 2.297 2.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
240 1 27 SER H 1 27 SER QB 2.900 . 4.000 2.648 2.052 3.508 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
241 1 27 SER H 1 28 GLY H 2.900 . 4.000 2.904 2.083 3.554 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
242 1 27 SER H 1 30 LEU QD 3.400 . 5.000 4.502 3.286 5.022 0.022 16 0 "[ . 1 . 2 . 3 . 4]" 1
243 1 27 SER H 1 31 ILE QG 2.900 . 4.000 3.554 2.599 4.011 0.011 22 0 "[ . 1 . 2 . 3 . 4]" 1
244 1 27 SER H 1 31 ILE MG 3.900 . 6.000 5.031 3.947 5.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
245 1 27 SER HA 1 27 SER QB . . 2.800 2.333 2.157 2.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
246 1 27 SER HA 1 28 GLY H 2.900 . 4.000 3.212 2.619 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
247 1 27 SER HA 1 30 LEU QD 3.900 . 6.000 5.450 4.046 6.050 0.050 32 0 "[ . 1 . 2 . 3 . 4]" 1
248 1 27 SER QB 1 28 GLY H 2.900 . 4.000 3.327 1.812 4.023 0.023 23 0 "[ . 1 . 2 . 3 . 4]" 1
249 1 27 SER QB 1 29 ALA MB 3.400 . 5.000 3.644 3.408 4.082 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
250 1 27 SER QB 1 30 LEU QD 3.900 . 6.000 4.745 2.668 6.012 0.012 32 0 "[ . 1 . 2 . 3 . 4]" 1
251 1 27 SER QB 1 31 ILE MD 3.400 . 5.000 3.489 2.068 4.912 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
252 1 27 SER QB 1 31 ILE QG 3.400 . 5.000 4.390 3.231 5.066 0.066 38 0 "[ . 1 . 2 . 3 . 4]" 1
253 1 28 GLY H 1 28 GLY QA 2.300 . 2.800 2.410 2.197 2.502 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
254 1 28 GLY H 1 29 ALA H 2.900 . 4.000 1.976 1.781 2.769 0.019 38 0 "[ . 1 . 2 . 3 . 4]" 1
255 1 28 GLY H 1 29 ALA MB 3.900 . 6.000 3.909 3.160 4.778 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
256 1 28 GLY QA 1 29 ALA H 2.900 . 4.000 2.852 2.507 2.929 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
257 1 28 GLY QA 1 29 ALA MB 3.900 . 6.000 3.702 3.426 4.264 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
258 1 28 GLY QA 1 30 LEU QB 3.400 . 5.000 4.141 2.117 5.109 0.109 38 0 "[ . 1 . 2 . 3 . 4]" 1
259 1 28 GLY QA 1 31 ILE MD 3.400 . 5.000 4.387 2.479 5.016 0.016 16 0 "[ . 1 . 2 . 3 . 4]" 1
260 1 29 ALA H 1 29 ALA HA 2.900 . 4.000 2.530 2.298 2.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
261 1 29 ALA H 1 29 ALA MB 2.900 . 4.000 2.782 2.138 3.013 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
262 1 29 ALA H 1 30 LEU H 2.900 . 4.000 2.414 1.791 2.888 0.009 22 0 "[ . 1 . 2 . 3 . 4]" 1
263 1 29 ALA H 1 30 LEU QB 3.400 . 5.000 3.990 3.379 4.801 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
264 1 29 ALA H 1 31 ILE MG 3.900 . 6.000 5.695 4.652 6.044 0.044 28 0 "[ . 1 . 2 . 3 . 4]" 1
265 1 29 ALA HA 1 30 LEU H 2.900 . 4.000 3.029 2.600 3.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
266 1 29 ALA HA 1 30 LEU QB 3.400 . 5.000 4.656 4.253 5.083 0.083 22 0 "[ . 1 . 2 . 3 . 4]" 1
267 1 29 ALA HA 1 30 LEU QB 3.400 . 5.000 4.587 3.970 4.949 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
268 1 29 ALA HA 1 31 ILE MD 3.900 . 6.000 4.772 2.216 6.026 0.026 6 0 "[ . 1 . 2 . 3 . 4]" 1
269 1 29 ALA HA 1 32 PRO QB 3.400 . 5.000 3.871 2.528 5.010 0.010 15 0 "[ . 1 . 2 . 3 . 4]" 1
270 1 29 ALA HA 1 32 PRO QD 2.900 . 4.000 3.478 2.663 4.094 0.094 38 0 "[ . 1 . 2 . 3 . 4]" 1
271 1 29 ALA MB 1 30 LEU H 3.400 . 5.000 3.330 1.899 3.730 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
272 1 29 ALA MB 1 30 LEU HA 3.400 . 5.000 4.143 3.832 4.426 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
273 1 29 ALA MB 1 30 LEU QB 3.900 . 6.000 3.908 3.137 4.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
274 1 29 ALA MB 1 30 LEU QD 3.400 . 5.000 3.370 2.115 5.006 0.006 13 0 "[ . 1 . 2 . 3 . 4]" 1
275 1 29 ALA MB 1 31 ILE MD 3.900 . 6.000 5.015 3.589 6.007 0.007 6 0 "[ . 1 . 2 . 3 . 4]" 1
276 1 29 ALA MB 1 32 PRO QB 3.900 . 6.000 4.405 3.070 5.274 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
277 1 30 LEU H 1 30 LEU HA 2.900 . 4.000 2.931 2.833 2.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
278 1 30 LEU H 1 30 LEU QB 2.900 . 4.000 2.789 2.197 3.217 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
279 1 30 LEU H 1 30 LEU QD 3.400 . 5.000 2.575 1.771 4.063 0.029 38 0 "[ . 1 . 2 . 3 . 4]" 1
280 1 30 LEU H 1 30 LEU HG 3.400 . 5.000 3.231 1.878 4.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
281 1 30 LEU H 1 31 ILE H 2.900 . 4.000 2.037 1.722 2.548 0.078 6 0 "[ . 1 . 2 . 3 . 4]" 1
282 1 30 LEU HA 1 30 LEU QD 2.900 . 4.000 2.921 1.937 3.428 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
283 1 30 LEU HA 1 30 LEU HG 2.900 . 4.000 3.372 2.285 3.718 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
284 1 30 LEU HA 1 31 ILE H 3.400 . 5.000 3.231 2.925 3.518 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
285 1 30 LEU HA 1 31 ILE MD 3.900 . 6.000 4.888 3.909 6.103 0.103 24 0 "[ . 1 . 2 . 3 . 4]" 1
286 1 30 LEU HA 1 34 ILE MD 3.400 . 5.000 4.284 3.015 5.086 0.086 24 0 "[ . 1 . 2 . 3 . 4]" 1
287 1 30 LEU HA 1 33 ALA MB 3.400 . 5.000 3.151 2.400 3.884 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
288 1 30 LEU HA 1 34 ILE H 3.400 . 5.000 4.695 3.945 5.032 0.032 34 0 "[ . 1 . 2 . 3 . 4]" 1
289 1 30 LEU QB 1 30 LEU QD . . 2.800 1.910 1.850 2.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
290 1 30 LEU QB 1 31 ILE H 2.900 . 4.000 3.543 2.726 3.866 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
291 1 30 LEU QD 1 31 ILE H 3.400 . 5.000 3.293 2.338 4.046 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
292 1 30 LEU QD 1 33 ALA MB 3.400 . 4.000 3.794 2.442 4.054 0.054 38 0 "[ . 1 . 2 . 3 . 4]" 1
293 1 30 LEU HG 1 34 ILE MD 2.900 . 4.000 3.540 2.297 4.106 0.106 32 0 "[ . 1 . 2 . 3 . 4]" 1
294 1 31 ILE H 1 31 ILE HA 2.900 . 4.000 2.866 2.746 2.920 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
295 1 31 ILE H 1 31 ILE HB 2.900 . 4.000 2.713 2.089 3.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
296 1 31 ILE H 1 31 ILE MD 3.400 . 5.000 2.666 1.792 3.573 0.008 8 0 "[ . 1 . 2 . 3 . 4]" 1
297 1 31 ILE H 1 31 ILE QG 3.400 . 4.000 2.288 1.758 3.795 0.042 6 0 "[ . 1 . 2 . 3 . 4]" 1
298 1 31 ILE H 1 31 ILE MG 2.900 . 4.000 3.644 3.399 3.764 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
299 1 31 ILE H 1 32 PRO QD 3.400 . 5.000 1.954 1.797 2.306 0.003 18 0 "[ . 1 . 2 . 3 . 4]" 1
300 1 31 ILE H 1 33 ALA H 3.400 . 5.000 4.078 3.864 4.516 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
301 1 31 ILE H 1 35 TYR QD 3.900 . 6.000 3.491 2.138 4.511 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
302 1 31 ILE HA 1 31 ILE MD 2.900 . 4.000 2.938 2.192 3.787 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
303 1 31 ILE HA 1 31 ILE QG 2.900 . 4.000 2.753 2.167 3.308 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
304 1 31 ILE HA 1 31 ILE MG 2.900 . 4.000 2.324 2.150 2.862 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
305 1 31 ILE HA 1 34 ILE HB 3.400 . 5.000 3.519 2.347 5.022 0.022 24 0 "[ . 1 . 2 . 3 . 4]" 1
306 1 31 ILE HA 1 34 ILE MD 3.400 . 5.000 3.528 2.290 4.708 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
307 1 31 ILE HA 1 34 ILE QG 3.400 . 5.000 4.180 2.224 5.048 0.048 29 0 "[ . 1 . 2 . 3 . 4]" 1
308 1 31 ILE HB 1 31 ILE MD 3.400 . 4.000 2.628 2.151 3.218 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
309 1 31 ILE HB 1 32 PRO QD 3.400 . 5.000 2.286 2.068 2.319 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
310 1 31 ILE MD 1 32 PRO QD 3.400 . 5.000 3.462 2.264 3.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
311 1 31 ILE QG 1 31 ILE MG 2.900 . 4.000 2.243 1.959 2.422 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
312 1 31 ILE MG 1 32 PRO HA 3.900 . 6.000 3.992 2.957 4.543 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
313 1 31 ILE MG 1 32 PRO QD 3.900 . 6.000 3.406 2.239 3.753 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
314 1 31 ILE MG 1 32 PRO QD 2.900 . 4.000 3.388 2.238 3.728 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
315 1 31 ILE MG 1 32 PRO QG 3.900 . 6.000 4.511 2.945 5.074 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
316 1 31 ILE MG 1 33 ALA H 3.900 . 6.000 4.310 3.774 4.721 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
317 1 31 ILE MG 1 33 ALA MB 3.400 . 5.000 4.377 2.873 4.713 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
318 1 31 ILE MG 1 35 TYR H 3.400 . 5.000 3.118 2.154 3.648 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
319 1 31 ILE MG 1 35 TYR HA 3.400 . 5.000 2.910 2.186 3.296 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
320 1 31 ILE MG 1 35 TYR QE 3.900 . 6.000 4.414 3.212 5.161 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
321 1 31 ILE MG 1 35 TYR H 2.900 . 4.000 3.794 2.935 4.027 0.027 24 0 "[ . 1 . 2 . 3 . 4]" 1
322 1 31 ILE MG 1 35 TYR HA 3.400 . 5.000 4.872 4.227 5.028 0.028 26 0 "[ . 1 . 2 . 3 . 4]" 1
323 1 31 ILE MG 1 35 TYR QB 3.900 . 5.000 2.631 2.110 3.352 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
324 1 31 ILE MG 1 35 TYR QB 3.900 . 6.000 2.610 2.106 3.281 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
325 1 31 ILE MG 1 35 TYR QD 3.900 . 5.000 3.852 2.924 4.514 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
326 1 31 ILE MG 1 35 TYR QE 3.900 . 6.000 5.238 3.374 6.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
327 1 32 PRO HA 1 32 PRO QG 2.900 . 4.000 3.216 2.976 3.531 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
328 1 32 PRO HA 1 33 ALA H 3.400 . 5.000 3.302 2.996 3.562 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
329 1 32 PRO HA 1 35 TYR QB 3.400 . 5.000 3.506 2.353 4.682 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
330 1 32 PRO HA 1 35 TYR QD 3.400 . 5.000 4.007 2.347 5.007 0.007 22 0 "[ . 1 . 2 . 3 . 4]" 1
331 1 32 PRO HA 1 35 TYR QE 3.900 . 6.000 4.146 2.794 5.591 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
332 1 32 PRO QB 1 33 ALA HA 2.900 . 4.000 2.846 2.218 3.562 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
333 1 32 PRO QB 1 33 ALA H 2.900 . 4.000 3.440 2.441 3.944 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
334 1 32 PRO QD 1 33 ALA MB 3.400 . 5.000 3.294 3.090 3.503 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
335 1 32 PRO QG 1 33 ALA H 3.400 . 5.000 3.945 3.140 4.557 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
336 1 32 PRO QG 1 35 TYR QE 3.900 . 6.000 4.438 2.305 5.663 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
337 1 33 ALA H 1 33 ALA HA 2.900 . 4.000 2.929 2.757 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
338 1 33 ALA H 1 33 ALA MB 2.900 . 4.000 2.346 2.036 2.641 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
339 1 33 ALA H 1 34 ILE H 2.900 . 4.000 2.363 1.791 2.957 0.009 39 0 "[ . 1 . 2 . 3 . 4]" 1
340 1 33 ALA H 1 34 ILE MG 3.900 . 6.000 5.386 4.164 6.024 0.024 34 0 "[ . 1 . 2 . 3 . 4]" 1
341 1 33 ALA HA 1 34 ILE H 2.900 . 4.000 3.535 3.243 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
342 1 33 ALA HA 1 36 MET QG 3.400 . 5.000 4.242 2.189 4.850 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
343 1 33 ALA HA 1 36 MET QB 3.400 . 5.000 2.945 2.226 3.811 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
344 1 33 ALA HA 1 36 MET ME 3.900 . 6.000 4.456 2.671 5.634 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
345 1 33 ALA HA 1 36 MET QG 3.400 . 5.000 4.359 2.190 5.012 0.012 39 0 "[ . 1 . 2 . 3 . 4]" 1
346 1 33 ALA HA 1 37 LEU HG 3.400 . 5.000 3.518 2.559 4.436 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
347 1 33 ALA MB 1 34 ILE H 2.900 . 4.000 2.337 1.822 3.353 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
348 1 33 ALA MB 1 34 ILE HB 3.400 . 5.000 4.387 3.974 5.052 0.052 24 0 "[ . 1 . 2 . 3 . 4]" 1
349 1 33 ALA MB 1 34 ILE MD 3.400 . 5.000 3.677 1.964 4.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
350 1 33 ALA MB 1 34 ILE QG 3.400 . 5.000 3.064 2.513 4.194 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
351 1 33 ALA MB 1 37 LEU QB 3.400 . 5.000 4.261 3.684 4.864 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
352 1 33 ALA MB 1 36 MET QB 3.400 . 5.000 4.236 3.648 5.021 0.021 30 0 "[ . 1 . 2 . 3 . 4]" 1
353 1 33 ALA MB 1 36 MET ME 3.900 . 6.000 5.241 3.686 6.022 0.022 34 0 "[ . 1 . 2 . 3 . 4]" 1
354 1 33 ALA MB 1 37 LEU HG 2.900 . 4.000 3.946 3.508 4.025 0.025 34 0 "[ . 1 . 2 . 3 . 4]" 1
355 1 34 ILE H 1 34 ILE HA 2.900 . 4.000 2.829 2.710 2.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
356 1 34 ILE H 1 34 ILE HB 2.900 . 4.000 2.638 2.281 3.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
357 1 34 ILE H 1 34 ILE MD 3.400 . 5.000 3.171 1.740 4.097 0.060 30 0 "[ . 1 . 2 . 3 . 4]" 1
358 1 34 ILE H 1 34 ILE QG 2.900 . 4.000 2.353 1.778 3.784 0.022 28 0 "[ . 1 . 2 . 3 . 4]" 1
359 1 34 ILE H 1 34 ILE MG 2.900 . 4.000 3.620 2.581 3.936 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
360 1 34 ILE HA 1 34 ILE MD 3.400 . 5.000 3.604 2.093 4.131 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
361 1 34 ILE HA 1 34 ILE QG 3.400 . 4.000 2.520 2.247 3.417 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
362 1 34 ILE HA 1 34 ILE MG 2.900 . 4.000 2.339 2.121 2.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
363 1 34 ILE HA 1 37 LEU HA 3.900 . 6.000 5.717 5.122 6.009 0.009 34 0 "[ . 1 . 2 . 3 . 4]" 1
364 1 34 ILE HA 1 37 LEU QB 3.400 . 5.000 3.105 2.332 3.679 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
365 1 34 ILE HA 1 37 LEU QD 3.400 . 5.000 3.225 2.203 4.422 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
366 1 34 ILE HA 1 37 LEU HG 3.400 . 5.000 3.961 2.609 4.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
367 1 34 ILE HB 1 34 ILE MD 2.900 . 4.000 2.313 2.128 3.200 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
368 1 34 ILE HB 1 35 TYR H 3.400 . 5.000 2.651 1.923 3.966 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
369 1 34 ILE HB 1 35 TYR HA 3.400 . 5.000 4.340 3.738 4.777 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
370 1 34 ILE QG 1 34 ILE MG 2.900 . 4.000 2.206 1.979 2.355 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
371 1 34 ILE MG 1 36 MET ME 3.400 . 5.000 4.137 2.636 5.009 0.009 4 0 "[ . 1 . 2 . 3 . 4]" 1
372 1 34 ILE MG 1 37 LEU H 2.900 . 4.000 2.844 2.440 3.358 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
373 1 35 TYR H 1 35 TYR HA 2.900 . 4.000 2.840 2.714 2.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
374 1 35 TYR H 1 35 TYR HA 2.900 . 4.000 2.820 2.703 2.912 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
375 1 35 TYR H 1 35 TYR QB 2.900 . 4.000 2.201 2.052 2.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
376 1 35 TYR H 1 35 TYR QD 3.400 . 5.000 3.890 2.467 4.205 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
377 1 35 TYR H 1 36 MET ME 3.900 . 6.000 5.575 4.725 6.004 0.004 31 0 "[ . 1 . 2 . 3 . 4]" 1
378 1 35 TYR H 1 38 VAL QG 2.900 . 4.000 3.336 2.966 3.612 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
379 1 35 TYR HA 1 35 TYR QD 3.400 . 5.000 2.890 2.434 3.514 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
380 1 35 TYR HA 1 36 MET H 2.900 . 4.000 3.486 3.328 3.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
381 1 35 TYR HA 1 36 MET QB 2.900 . 4.000 2.992 2.402 3.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
382 1 35 TYR HA 1 38 VAL HB 2.900 . 4.000 3.015 2.406 3.748 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
383 1 35 TYR HA 1 38 VAL QG 3.400 . 4.000 3.208 2.247 3.620 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
384 1 35 TYR QB 1 35 TYR QD 2.900 . 4.000 2.152 2.149 2.202 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
385 1 35 TYR QB 1 35 TYR QE 3.900 . 6.000 3.964 3.961 3.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
386 1 35 TYR QB 1 36 MET H 2.900 . 4.000 2.853 1.833 3.319 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
387 1 35 TYR QB 1 36 MET QB 3.400 . 5.000 4.136 3.586 4.524 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
388 1 35 TYR QB 1 38 VAL HB 3.400 . 5.000 4.859 4.379 5.024 0.024 24 0 "[ . 1 . 2 . 3 . 4]" 1
389 1 35 TYR QB 1 38 VAL QG 3.400 . 5.000 4.554 3.648 4.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
390 1 35 TYR QD 1 36 MET ME 3.900 . 6.000 5.218 2.793 6.014 0.014 30 0 "[ . 1 . 2 . 3 . 4]" 1
391 1 35 TYR QD 1 38 VAL QG 3.900 . 6.000 4.406 3.584 5.256 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
392 1 35 TYR QE 1 39 PHE QD 3.900 . 6.000 4.546 2.348 6.001 0.001 6 0 "[ . 1 . 2 . 3 . 4]" 1
393 1 36 MET H 1 36 MET HA 2.900 . 4.000 2.867 2.716 2.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
394 1 36 MET H 1 36 MET QB 2.900 . 4.000 2.266 2.084 2.449 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
395 1 36 MET H 1 36 MET ME 3.400 . 5.000 4.594 3.719 5.007 0.007 31 0 "[ . 1 . 2 . 3 . 4]" 1
396 1 36 MET H 1 36 MET QG 2.900 . 4.000 3.723 2.312 4.019 0.019 16 0 "[ . 1 . 2 . 3 . 4]" 1
397 1 36 MET HA 1 36 MET ME 3.400 . 5.000 3.767 2.098 4.721 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
398 1 36 MET HA 1 36 MET QG 3.400 . 4.000 2.425 2.222 3.418 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
399 1 36 MET HA 1 37 LEU H 2.900 . 4.000 3.542 3.459 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
400 1 36 MET HA 1 39 PHE H 2.900 . 4.000 3.497 3.022 4.006 0.006 23 0 "[ . 1 . 2 . 3 . 4]" 1
401 1 36 MET HA 1 39 PHE QB 2.900 . 4.000 2.957 2.140 4.002 0.002 23 0 "[ . 1 . 2 . 3 . 4]" 1
402 1 36 MET QB 1 37 LEU H 2.900 . 4.000 2.545 1.950 3.591 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
403 1 36 MET QB 1 37 LEU QD 3.400 . 5.000 3.285 2.566 4.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
404 1 36 MET ME 1 37 LEU HA 3.900 . 6.000 5.445 4.202 6.063 0.063 34 0 "[ . 1 . 2 . 3 . 4]" 1
405 1 36 MET ME 1 39 PHE QD 3.900 . 6.000 5.509 3.743 6.006 0.006 40 0 "[ . 1 . 2 . 3 . 4]" 1
406 1 36 MET ME 1 40 LEU QD 3.400 . 5.000 3.833 2.626 5.004 0.004 19 0 "[ . 1 . 2 . 3 . 4]" 1
407 1 36 MET QG 1 37 LEU HG 3.400 . 5.000 3.894 2.702 5.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
408 1 36 MET QG 1 39 PHE QB 3.400 . 5.000 3.886 2.668 5.001 0.001 31 0 "[ . 1 . 2 . 3 . 4]" 1
409 1 36 MET QG 1 40 LEU QD 3.400 . 5.000 3.036 1.956 5.002 0.002 7 0 "[ . 1 . 2 . 3 . 4]" 1
410 1 37 LEU H 1 37 LEU HA 2.900 . 4.000 2.852 2.741 2.916 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
411 1 37 LEU H 1 37 LEU QB 2.900 . 4.000 2.493 2.127 2.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
412 1 37 LEU H 1 37 LEU QD 3.400 . 5.000 2.866 2.447 3.405 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
413 1 37 LEU H 1 37 LEU HG 2.900 . 4.000 2.115 1.804 3.010 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
414 1 37 LEU H 1 40 LEU QD 3.400 . 5.000 4.625 4.206 5.007 0.007 35 0 "[ . 1 . 2 . 3 . 4]" 1
415 1 37 LEU H 1 41 LEU QD 3.900 . 6.000 5.675 4.738 6.007 0.007 40 0 "[ . 1 . 2 . 3 . 4]" 1
416 1 37 LEU H 1 41 LEU HG 3.900 . 6.000 4.596 2.155 5.553 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
417 1 37 LEU HA 1 37 LEU QD 2.900 . 4.000 2.144 2.090 2.286 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
418 1 37 LEU HA 1 37 LEU HG 2.900 . 4.000 3.011 2.349 3.373 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
419 1 37 LEU HA 1 38 VAL H 2.900 . 4.000 3.178 2.729 3.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
420 1 37 LEU HA 1 40 LEU HG 2.900 . 4.000 3.600 2.470 4.022 0.022 19 0 "[ . 1 . 2 . 3 . 4]" 1
421 1 37 LEU QB 1 37 LEU QD . . 2.800 1.912 1.880 1.950 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
422 1 37 LEU QB 1 38 VAL QG 2.900 . 4.000 3.032 2.641 3.499 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
423 1 37 LEU QB 1 38 VAL H 3.400 . 5.000 3.362 2.160 3.900 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
424 1 37 LEU QB 1 38 VAL H 3.400 . 5.000 3.346 2.160 3.870 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
425 1 37 LEU QB 1 38 VAL HA 2.900 . 4.000 3.097 2.500 3.771 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
426 1 37 LEU QB 1 41 LEU HG 2.900 . 4.000 3.663 2.335 4.040 0.040 35 0 "[ . 1 . 2 . 3 . 4]" 1
427 1 37 LEU HG 1 38 VAL H 3.400 . 5.000 4.546 3.892 4.886 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
428 1 38 VAL H 1 38 VAL HA 2.900 . 4.000 2.915 2.732 2.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
429 1 38 VAL H 1 38 VAL HB 2.900 . 4.000 2.607 2.327 2.837 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
430 1 38 VAL H 1 38 VAL QG 2.900 . 4.000 2.693 1.897 3.122 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
431 1 38 VAL HA 1 38 VAL QG 2.900 . 4.000 2.073 2.030 2.102 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
432 1 38 VAL HA 1 39 PHE H 2.900 . 4.000 3.394 3.024 3.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
433 1 38 VAL HA 1 41 LEU QB 3.400 . 4.000 3.217 2.528 4.104 0.104 19 0 "[ . 1 . 2 . 3 . 4]" 1
434 1 38 VAL HA 1 41 LEU QD 3.400 . 5.000 4.213 2.052 4.994 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
435 1 38 VAL HA 1 42 GLY QA 3.400 . 5.000 3.370 2.241 4.405 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
436 1 38 VAL HB 1 39 PHE H 2.900 . 4.000 3.203 2.715 3.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
437 1 38 VAL HB 1 42 GLY QA 3.400 . 5.000 4.893 4.415 5.036 0.036 19 0 "[ . 1 . 2 . 3 . 4]" 1
438 1 38 VAL QG 1 39 PHE H 3.400 . 5.000 3.439 3.007 3.724 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
439 1 38 VAL QG 1 39 PHE HA 3.900 . 5.000 3.595 3.142 4.186 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
440 1 38 VAL QG 1 39 PHE QB 3.900 . 6.000 4.173 3.576 4.528 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
441 1 38 VAL QG 1 39 PHE QD 3.900 . 6.000 4.990 3.746 5.494 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
442 1 38 VAL QG 1 40 LEU H 3.900 . 6.000 4.611 4.144 5.472 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
443 1 38 VAL QG 1 42 GLY H 2.900 . 4.000 3.884 3.115 4.034 0.034 13 0 "[ . 1 . 2 . 3 . 4]" 1
444 1 39 PHE H 1 39 PHE HA 2.900 . 4.000 2.880 2.828 2.956 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
445 1 39 PHE H 1 39 PHE QB . . 2.800 2.225 2.085 2.436 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
446 1 39 PHE H 1 39 PHE QD 3.900 . 5.000 4.084 3.346 4.277 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
447 1 39 PHE H 1 40 LEU H 2.900 . 4.000 2.468 2.021 2.761 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
448 1 39 PHE H 1 40 LEU QB 3.400 . 5.000 4.862 4.294 5.021 0.021 13 0 "[ . 1 . 2 . 3 . 4]" 1
449 1 39 PHE H 1 40 LEU QD 3.400 . 5.000 3.665 3.080 4.514 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
450 1 39 PHE H 1 41 LEU QB 3.400 . 5.000 4.812 4.102 5.043 0.043 19 0 "[ . 1 . 2 . 3 . 4]" 1
451 1 39 PHE HA 1 39 PHE QD 3.900 . 6.000 2.571 2.339 2.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
452 1 39 PHE HA 1 40 LEU H 3.400 . 5.000 3.504 3.302 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
453 1 39 PHE QB 1 40 LEU H 3.400 . 5.000 2.762 2.226 3.364 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
454 1 39 PHE QD 1 40 LEU H 3.900 . 6.000 3.673 2.662 4.900 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
455 1 39 PHE QD 1 40 LEU QD 3.400 . 5.000 2.788 2.197 4.227 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
456 1 39 PHE QD 1 40 LEU HG 3.900 . 6.000 4.460 2.800 5.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
457 1 39 PHE QE 1 43 THR MG 3.400 . 5.000 4.366 2.682 5.004 0.004 34 0 "[ . 1 . 2 . 3 . 4]" 1
458 1 39 PHE QE 1 44 THR MG 3.400 . 5.000 4.841 4.009 5.049 0.049 13 0 "[ . 1 . 2 . 3 . 4]" 1
459 1 40 LEU H 1 40 LEU QB 3.400 . 4.000 2.817 2.428 3.249 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
460 1 40 LEU H 1 40 LEU QD 3.400 . 5.000 2.493 1.800 3.197 0.000 7 0 "[ . 1 . 2 . 3 . 4]" 1
461 1 40 LEU H 1 40 LEU HG 3.400 . 5.000 2.038 1.813 2.471 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
462 1 40 LEU H 1 44 THR MG 3.900 . 6.000 5.630 4.100 6.017 0.017 39 0 "[ . 1 . 2 . 3 . 4]" 1
463 1 40 LEU HA 1 40 LEU QD 2.900 . 4.000 3.148 2.104 3.431 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
464 1 40 LEU HA 1 40 LEU HG 3.400 . 5.000 3.445 2.648 3.569 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
465 1 40 LEU HA 1 44 THR HA 3.900 . 6.000 5.010 4.547 5.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
466 1 40 LEU QD 1 43 THR H 3.900 . 6.000 5.832 5.114 6.023 0.023 23 0 "[ . 1 . 2 . 3 . 4]" 1
467 1 41 LEU H 1 41 LEU QB 3.400 . 4.000 2.627 2.219 2.932 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
468 1 41 LEU H 1 41 LEU QD 3.400 . 5.000 3.636 2.362 4.108 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
469 1 41 LEU H 1 41 LEU HG 3.400 . 5.000 3.835 2.336 4.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
470 1 41 LEU H 1 42 GLY H 2.900 . 4.000 2.364 1.763 3.434 0.037 19 0 "[ . 1 . 2 . 3 . 4]" 1
471 1 41 LEU HA 1 41 LEU QD 2.900 . 4.000 2.373 1.937 3.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
472 1 41 LEU HA 1 41 LEU HG 2.900 . 4.000 2.487 2.342 3.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
473 1 41 LEU HA 1 42 GLY H 2.900 . 4.000 2.965 2.388 3.533 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
474 1 41 LEU HA 1 44 THR HB 3.400 . 5.000 4.368 3.592 5.008 0.008 35 0 "[ . 1 . 2 . 3 . 4]" 1
475 1 41 LEU HA 1 44 THR MG 3.400 . 5.000 4.622 2.416 5.019 0.019 34 0 "[ . 1 . 2 . 3 . 4]" 1
476 1 41 LEU QB 1 42 GLY H 3.400 . 5.000 3.597 2.596 4.044 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
477 1 41 LEU QB 1 44 THR HB 3.900 . 6.000 5.794 4.972 6.019 0.019 13 0 "[ . 1 . 2 . 3 . 4]" 1
478 1 41 LEU QD 1 42 GLY H 3.400 . 5.000 4.214 3.080 4.555 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
479 1 42 GLY H 1 43 THR H 2.900 . 4.000 2.074 1.780 3.026 0.020 5 0 "[ . 1 . 2 . 3 . 4]" 1
480 1 42 GLY H 1 43 THR HA 3.900 . 6.000 4.655 4.226 5.412 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
481 1 42 GLY H 1 43 THR MG 3.400 . 5.000 4.469 3.408 5.056 0.056 21 0 "[ . 1 . 2 . 3 . 4]" 1
482 1 42 GLY H 1 45 GLY QA 3.400 . 5.000 4.915 4.471 5.042 0.042 38 0 "[ . 1 . 2 . 3 . 4]" 1
483 1 42 GLY QA 1 43 THR H 2.900 . 4.000 2.817 2.598 2.923 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
484 1 43 THR H 1 43 THR HA 2.900 . 4.000 2.925 2.820 2.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
485 1 43 THR H 1 43 THR HB 2.900 . 4.000 3.049 2.480 3.772 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
486 1 43 THR H 1 43 THR MG 3.400 . 5.000 2.961 1.841 3.903 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
487 1 43 THR H 1 44 THR MG 3.400 . 5.000 4.811 3.486 5.035 0.035 25 0 "[ . 1 . 2 . 3 . 4]" 1
488 1 43 THR H 1 45 GLY QA 3.400 . 5.000 4.646 3.882 5.021 0.021 13 0 "[ . 1 . 2 . 3 . 4]" 1
489 1 43 THR HA 1 43 THR HB 2.900 . 4.000 2.730 2.325 3.013 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
490 1 43 THR HA 1 43 THR MG 2.900 . 4.000 2.800 2.122 3.192 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
491 1 43 THR HA 1 44 THR H 2.900 . 4.000 3.539 3.420 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
492 1 43 THR HA 1 46 ASN H 3.400 . 5.000 4.200 3.308 5.024 0.024 34 0 "[ . 1 . 2 . 3 . 4]" 1
493 1 43 THR MG 1 44 THR H 3.400 . 5.000 2.551 1.765 4.206 0.035 35 0 "[ . 1 . 2 . 3 . 4]" 1
494 1 43 THR MG 1 46 ASN H 3.400 . 5.000 4.940 4.527 5.074 0.074 24 0 "[ . 1 . 2 . 3 . 4]" 1
495 1 44 THR H 1 44 THR HA 2.900 . 4.000 2.804 2.716 2.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
496 1 44 THR H 1 44 THR HB 3.400 . 5.000 2.353 2.202 3.288 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
497 1 44 THR H 1 44 THR MG 3.400 . 5.000 3.562 2.349 3.733 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
498 1 44 THR H 1 45 GLY H 3.400 . 5.000 2.659 2.105 2.895 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
499 1 44 THR HA 1 44 THR MG 2.900 . 4.000 2.550 2.121 3.163 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
500 1 44 THR HA 1 45 GLY H 2.900 . 4.000 3.442 3.315 3.560 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
501 1 44 THR HB 1 45 GLY H 2.900 . 4.000 3.207 2.602 4.008 0.008 5 0 "[ . 1 . 2 . 3 . 4]" 1
502 1 44 THR MG 1 45 GLY H 3.400 . 5.000 3.355 2.030 4.430 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
503 1 44 THR MG 1 46 ASN QD 3.900 . 6.000 5.836 4.883 6.030 0.030 5 0 "[ . 1 . 2 . 3 . 4]" 1
504 1 45 GLY H 1 45 GLY QA 2.300 . 2.800 2.226 2.193 2.410 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
505 1 45 GLY H 1 48 LEU QD 3.400 . 5.000 4.831 4.299 5.065 0.065 38 0 "[ . 1 . 2 . 3 . 4]" 1
506 1 45 GLY QA 1 46 ASN H 2.900 . 4.000 2.631 2.220 2.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
507 1 45 GLY QA 1 46 ASN QB 2.900 . 4.000 3.867 3.548 4.165 0.165 35 0 "[ . 1 . 2 . 3 . 4]" 1
508 1 45 GLY QA 1 48 LEU QD 3.400 . 5.000 4.081 2.126 5.006 0.006 16 0 "[ . 1 . 2 . 3 . 4]" 1
509 1 46 ASN H 1 46 ASN HA 2.900 . 4.000 2.808 2.313 2.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
510 1 46 ASN H 1 46 ASN QB . . 2.800 2.710 2.171 2.876 0.076 24 0 "[ . 1 . 2 . 3 . 4]" 1
511 1 46 ASN H 1 46 ASN QD 3.400 . 5.000 3.636 1.787 4.997 0.013 7 0 "[ . 1 . 2 . 3 . 4]" 1
512 1 46 ASN H 1 47 GLY H 2.900 . 4.000 3.018 1.789 4.034 0.034 24 0 "[ . 1 . 2 . 3 . 4]" 1
513 1 46 ASN H 1 50 LEU QD 3.900 . 6.000 5.627 4.323 6.039 0.039 26 0 "[ . 1 . 2 . 3 . 4]" 1
514 1 46 ASN HA 1 47 GLY H 3.400 . 5.000 2.804 2.144 3.572 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
515 1 46 ASN HA 1 49 VAL QG 3.400 . 5.000 3.903 2.004 5.104 0.104 38 0 "[ . 1 . 2 . 3 . 4]" 1
516 1 46 ASN QB 1 46 ASN QD 2.900 . 4.000 2.494 2.186 2.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
517 1 46 ASN QB 1 47 GLY H 3.400 . 5.000 3.443 1.751 4.053 0.049 1 0 "[ . 1 . 2 . 3 . 4]" 1
518 1 46 ASN QB 1 48 LEU QD 3.900 . 6.000 5.136 2.861 6.010 0.010 17 0 "[ . 1 . 2 . 3 . 4]" 1
519 1 46 ASN QB 1 50 LEU QD 3.900 . 5.000 4.483 2.273 5.024 0.024 26 0 "[ . 1 . 2 . 3 . 4]" 1
520 1 46 ASN QD 1 50 LEU QD 3.900 . 6.000 4.676 2.323 6.017 0.017 10 0 "[ . 1 . 2 . 3 . 4]" 1
521 1 47 GLY H 1 48 LEU H 2.900 . 4.000 2.546 1.785 4.033 0.033 33 0 "[ . 1 . 2 . 3 . 4]" 1
522 1 47 GLY H 1 50 LEU QD 3.900 . 6.000 3.762 1.853 5.137 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
523 1 47 GLY H 1 50 LEU HG 3.900 . 6.000 5.204 3.828 6.012 0.012 39 0 "[ . 1 . 2 . 3 . 4]" 1
524 1 47 GLY QA 1 48 LEU H 2.900 . 4.000 2.744 2.119 2.916 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
525 1 47 GLY QA 1 48 LEU QB 3.400 . 5.000 4.463 3.739 4.748 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
526 1 47 GLY QA 1 48 LEU HG 3.900 . 6.000 4.573 3.329 6.023 0.023 19 0 "[ . 1 . 2 . 3 . 4]" 1
527 1 47 GLY QA 1 49 VAL QG 3.900 . 6.000 3.884 2.182 4.928 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
528 1 47 GLY QA 1 50 LEU QB 3.400 . 5.000 4.381 2.342 5.064 0.064 23 0 "[ . 1 . 2 . 3 . 4]" 1
529 1 47 GLY QA 1 50 LEU QD 3.400 . 5.000 2.412 1.943 4.192 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
530 1 48 LEU H 1 48 LEU HA 2.900 . 4.000 2.883 2.288 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
531 1 48 LEU H 1 48 LEU QB 2.900 . 4.000 2.502 2.087 3.437 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
532 1 48 LEU H 1 48 LEU QD 3.400 . 5.000 2.825 1.793 3.939 0.007 21 0 "[ . 1 . 2 . 3 . 4]" 1
533 1 48 LEU H 1 48 LEU HG 2.900 . 4.000 3.296 2.093 4.178 0.178 23 0 "[ . 1 . 2 . 3 . 4]" 1
534 1 48 LEU H 1 49 VAL QG 3.400 . 5.000 3.246 2.765 4.698 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
535 1 48 LEU HA 1 48 LEU QD 2.900 . 4.000 2.196 1.939 3.366 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
536 1 48 LEU HA 1 48 LEU HG 2.900 . 4.000 3.064 2.340 3.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
537 1 48 LEU HA 1 49 VAL H 2.900 . 4.000 3.355 2.653 3.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
538 1 48 LEU HA 1 49 VAL QG 3.400 . 5.000 4.432 3.817 4.850 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
539 1 48 LEU HA 1 50 LEU QD 3.400 . 5.000 4.419 2.957 5.014 0.014 38 0 "[ . 1 . 2 . 3 . 4]" 1
540 1 48 LEU HA 1 51 TRP H 2.900 . 4.000 3.395 2.902 3.964 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
541 1 48 LEU HA 1 51 TRP QB 2.900 . 4.000 2.648 2.205 3.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
542 1 48 LEU QB 1 48 LEU QD . . 2.800 1.932 1.864 2.009 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
543 1 48 LEU QB 1 49 VAL H 2.900 . 4.000 2.967 1.997 3.842 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
544 1 48 LEU QB 1 49 VAL H 3.400 . 5.000 3.081 2.002 3.889 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
545 1 48 LEU QB 1 49 VAL HA 3.400 . 5.000 4.062 3.710 4.611 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
546 1 48 LEU QB 1 49 VAL QG 2.900 . 4.000 3.459 2.813 4.119 0.119 10 0 "[ . 1 . 2 . 3 . 4]" 1
547 1 48 LEU QB 1 51 TRP H 3.400 . 5.000 4.774 4.193 5.116 0.116 39 0 "[ . 1 . 2 . 3 . 4]" 1
548 1 48 LEU QB 1 52 THR MG 2.900 . 4.000 3.758 2.460 4.017 0.017 34 0 "[ . 1 . 2 . 3 . 4]" 1
549 1 48 LEU QD 1 49 VAL H 3.400 . 5.000 3.931 1.910 4.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
550 1 48 LEU QD 1 51 TRP HE1 3.900 . 6.000 5.882 5.112 6.080 0.080 10 0 "[ . 1 . 2 . 3 . 4]" 1
551 1 48 LEU QD 1 51 TRP H 3.400 . 5.000 4.433 3.610 5.007 0.007 38 0 "[ . 1 . 2 . 3 . 4]" 1
552 1 48 LEU QD 1 51 TRP HA 3.900 . 6.000 5.606 5.164 6.001 0.001 7 0 "[ . 1 . 2 . 3 . 4]" 1
553 1 48 LEU QD 1 51 TRP QB 3.400 . 5.000 3.228 2.802 3.808 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
554 1 48 LEU QD 1 51 TRP HD1 3.900 . 6.000 5.697 4.953 6.055 0.055 33 0 "[ . 1 . 2 . 3 . 4]" 1
555 1 48 LEU QD 1 51 TRP HE3 3.900 . 6.000 2.314 2.054 2.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
556 1 48 LEU QD 1 51 TRP HZ2 3.900 . 6.000 5.437 4.776 5.845 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
557 1 48 LEU QD 1 51 TRP HZ3 3.400 . 5.000 2.814 2.041 3.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
558 1 48 LEU QD 1 52 THR H 3.400 . 5.000 4.016 3.223 4.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
559 1 48 LEU QD 1 52 THR HB 3.400 . 5.000 4.394 2.553 5.007 0.007 38 0 "[ . 1 . 2 . 3 . 4]" 1
560 1 49 VAL H 1 49 VAL HA 2.900 . 4.000 2.877 2.311 2.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
561 1 49 VAL H 1 49 VAL HB 2.900 . 4.000 2.981 2.371 3.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
562 1 49 VAL H 1 49 VAL QG 2.900 . 4.000 2.105 1.785 3.035 0.015 39 0 "[ . 1 . 2 . 3 . 4]" 1
563 1 49 VAL H 1 50 LEU QB 3.400 . 5.000 4.664 3.765 5.011 0.011 10 0 "[ . 1 . 2 . 3 . 4]" 1
564 1 49 VAL HA 1 49 VAL HB 2.900 . 4.000 2.623 2.313 3.028 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
565 1 49 VAL HA 1 49 VAL QG 2.900 . 4.000 2.210 2.039 2.458 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
566 1 49 VAL HA 1 50 LEU H 2.900 . 4.000 3.271 2.946 3.531 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
567 1 49 VAL HA 1 50 LEU HG 3.900 . 6.000 4.960 4.404 5.431 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
568 1 49 VAL HA 1 51 TRP H 3.400 . 5.000 4.130 3.372 5.006 0.006 22 0 "[ . 1 . 2 . 3 . 4]" 1
569 1 49 VAL HA 1 53 VAL QG 3.400 . 5.000 3.077 2.181 3.932 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
570 1 49 VAL HA 1 52 THR MG 3.400 . 5.000 3.587 2.244 4.745 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
571 1 49 VAL HB 1 50 LEU H 3.400 . 5.000 4.037 2.712 4.572 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
572 1 49 VAL HB 1 50 LEU QD 3.400 . 5.000 3.981 2.245 5.034 0.034 20 0 "[ . 1 . 2 . 3 . 4]" 1
573 1 49 VAL QG 1 50 LEU H 3.400 . 5.000 2.963 1.946 3.682 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
574 1 49 VAL QG 1 50 LEU HA 2.900 . 4.000 3.717 3.248 4.023 0.023 22 0 "[ . 1 . 2 . 3 . 4]" 1
575 1 49 VAL QG 1 50 LEU QB 2.900 . 4.000 3.464 2.699 3.996 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
576 1 50 LEU H 1 50 LEU HA 2.900 . 4.000 2.940 2.827 2.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
577 1 50 LEU H 1 50 LEU QB 2.900 . 4.000 2.935 2.449 3.346 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
578 1 50 LEU H 1 50 LEU QD 3.400 . 5.000 2.523 1.784 3.638 0.016 36 0 "[ . 1 . 2 . 3 . 4]" 1
579 1 50 LEU H 1 50 LEU HG 2.900 . 4.000 2.374 1.806 3.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
580 1 50 LEU H 1 51 TRP H 2.900 . 4.000 1.992 1.771 2.538 0.029 21 0 "[ . 1 . 2 . 3 . 4]" 1
581 1 50 LEU H 1 54 PHE HA 3.900 . 6.000 4.253 3.421 5.240 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
582 1 50 LEU HA 1 50 LEU QD 2.900 . 4.000 3.063 2.100 3.417 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
583 1 50 LEU HA 1 50 LEU HG 2.900 . 4.000 3.237 2.344 3.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
584 1 50 LEU HA 1 51 TRP H 3.400 . 5.000 3.303 3.045 3.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
585 1 50 LEU HA 1 53 VAL HA 3.900 . 6.000 5.746 5.140 6.018 0.018 22 0 "[ . 1 . 2 . 3 . 4]" 1
586 1 50 LEU HA 1 53 VAL HB 2.900 . 4.000 2.867 2.348 3.672 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
587 1 50 LEU HA 1 53 VAL QG 2.900 . 4.000 3.274 2.330 3.828 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
588 1 50 LEU QB 1 50 LEU QD . . 2.800 1.886 1.852 1.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
589 1 50 LEU QB 1 50 LEU HG . . 2.800 2.473 2.344 2.546 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
590 1 50 LEU QB 1 51 TRP H 3.400 . 5.000 3.549 2.287 3.916 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
591 1 50 LEU QD 1 51 TRP H 3.400 . 5.000 3.366 2.196 4.327 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
592 1 50 LEU QD 1 51 TRP QB 3.900 . 6.000 3.776 2.563 5.121 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
593 1 50 LEU QD 1 53 VAL HB 3.400 . 5.000 4.873 3.857 5.057 0.057 34 0 "[ . 1 . 2 . 3 . 4]" 1
594 1 50 LEU QD 1 54 PHE QD 3.900 . 6.000 5.008 3.167 6.001 0.001 14 0 "[ . 1 . 2 . 3 . 4]" 1
595 1 50 LEU HG 1 52 THR MG 3.400 . 5.000 3.058 2.309 4.918 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
596 1 51 TRP H 1 51 TRP HA 2.900 . 4.000 2.919 2.757 2.959 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
597 1 51 TRP H 1 51 TRP QB 2.900 . 4.000 2.222 2.113 2.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
598 1 51 TRP H 1 51 TRP HD1 3.900 . 6.000 5.085 4.839 5.304 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
599 1 51 TRP H 1 51 TRP HE3 3.400 . 5.000 4.129 3.393 4.789 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
600 1 51 TRP H 1 55 ARG QD 3.900 . 6.000 5.941 5.633 6.066 0.066 34 0 "[ . 1 . 2 . 3 . 4]" 1
601 1 51 TRP HA 1 51 TRP HD1 2.900 . 4.000 2.799 2.347 3.312 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
602 1 51 TRP HA 1 51 TRP HE3 3.900 . 6.000 5.108 4.868 5.274 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
603 1 51 TRP HA 1 52 THR H 3.400 . 5.000 3.549 3.436 3.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
604 1 51 TRP HA 1 53 VAL H 3.400 . 5.000 4.427 3.524 4.912 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
605 1 51 TRP HA 1 54 PHE H 2.900 . 4.000 3.740 3.019 4.020 0.020 13 0 "[ . 1 . 2 . 3 . 4]" 1
606 1 51 TRP QB 1 51 TRP HD1 3.400 . 5.000 2.831 2.646 3.056 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
607 1 51 TRP QB 1 51 TRP HE3 3.400 . 5.000 2.463 2.443 2.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
608 1 51 TRP QB 1 52 THR H 3.400 . 5.000 2.381 1.883 3.014 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
609 1 51 TRP QB 1 52 THR MG 3.900 . 6.000 3.679 2.754 5.379 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
610 1 51 TRP HD1 1 52 THR H 3.400 . 5.000 4.411 3.873 4.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
611 1 51 TRP HE1 1 52 THR HA 3.400 . 5.000 4.328 3.686 5.002 0.002 14 0 "[ . 1 . 2 . 3 . 4]" 1
612 1 51 TRP HE1 1 55 ARG QB 3.900 . 6.000 5.230 4.050 6.011 0.011 15 0 "[ . 1 . 2 . 3 . 4]" 1
613 1 51 TRP HE1 1 55 ARG QD 3.400 . 5.000 3.171 2.146 5.009 0.009 34 0 "[ . 1 . 2 . 3 . 4]" 1
614 1 51 TRP HE1 1 55 ARG QG 3.400 . 5.000 4.287 2.731 5.007 0.007 29 0 "[ . 1 . 2 . 3 . 4]" 1
615 1 51 TRP HE3 1 52 THR MG 3.900 . 6.000 3.116 2.313 5.432 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
616 1 51 TRP HZ2 1 52 THR MG 3.900 . 6.000 5.641 4.551 6.036 0.036 33 0 "[ . 1 . 2 . 3 . 4]" 1
617 1 51 TRP HZ3 1 52 THR MG 3.900 . 6.000 3.808 2.923 5.648 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
618 1 52 THR H 1 52 THR HA 2.900 . 4.000 2.806 2.710 2.928 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
619 1 52 THR H 1 52 THR HB 2.900 . 4.000 2.702 2.202 3.548 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
620 1 52 THR H 1 52 THR MG 2.900 . 4.000 2.117 1.788 3.766 0.012 37 0 "[ . 1 . 2 . 3 . 4]" 1
621 1 52 THR H 1 53 VAL H 2.900 . 4.000 2.688 2.225 3.033 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
622 1 52 THR HA 1 52 THR HB 2.900 . 4.000 2.458 2.272 3.022 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
623 1 52 THR HA 1 52 THR MG 2.900 . 4.000 3.066 2.246 3.195 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
624 1 52 THR HA 1 53 VAL H 2.900 . 4.000 3.507 3.362 3.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
625 1 52 THR HA 1 55 ARG QB 3.400 . 5.000 3.412 2.333 5.016 0.016 21 0 "[ . 1 . 2 . 3 . 4]" 1
626 1 52 THR HB 1 52 THR MG 2.300 . 2.800 2.133 2.107 2.147 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
627 1 52 THR HB 1 53 VAL H 2.900 . 4.000 3.918 2.332 4.055 0.055 29 0 "[ . 1 . 2 . 3 . 4]" 1
628 1 52 THR HB 1 53 VAL QG 3.400 . 5.000 4.724 3.500 5.002 0.002 7 0 "[ . 1 . 2 . 3 . 4]" 1
629 1 52 THR MG 1 53 VAL H 3.900 . 6.000 2.215 1.783 3.803 0.017 29 0 "[ . 1 . 2 . 3 . 4]" 1
630 1 52 THR MG 1 53 VAL HA 3.400 . 5.000 3.612 3.051 5.036 0.036 10 0 "[ . 1 . 2 . 3 . 4]" 1
631 1 52 THR MG 1 53 VAL HB 3.400 . 5.000 3.984 3.438 5.006 0.006 16 0 "[ . 1 . 2 . 3 . 4]" 1
632 1 52 THR MG 1 53 VAL QG 3.400 . 5.000 2.616 2.140 4.500 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
633 1 52 THR MG 1 54 PHE QB 3.900 . 6.000 5.409 4.874 5.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
634 1 52 THR MG 1 56 LYS QE 3.400 . 5.000 4.199 2.961 4.895 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
635 1 52 THR MG 1 56 LYS QE 3.400 . 5.000 4.377 2.976 5.017 0.017 34 0 "[ . 1 . 2 . 3 . 4]" 1
636 1 53 VAL H 1 53 VAL HA 2.900 . 4.000 2.821 2.716 2.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
637 1 53 VAL H 1 53 VAL HB 2.900 . 4.000 2.405 2.190 2.775 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
638 1 53 VAL H 1 53 VAL QG 2.900 . 4.000 2.319 1.802 2.808 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
639 1 53 VAL HA 1 53 VAL HB 2.900 . 4.000 3.008 2.638 3.029 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
640 1 53 VAL HA 1 54 PHE H 2.900 . 4.000 3.204 2.936 3.420 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
641 1 53 VAL HA 1 56 LYS QB 3.400 . 4.000 2.939 2.120 4.332 0.332 40 0 "[ . 1 . 2 . 3 . 4]" 1
642 1 53 VAL HA 1 56 LYS QD 3.400 . 5.000 3.861 2.070 5.016 0.016 21 0 "[ . 1 . 2 . 3 . 4]" 1
643 1 53 VAL HB 1 54 PHE H 2.900 . 4.000 2.909 2.253 3.797 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
644 1 53 VAL HB 1 54 PHE QB 3.400 . 5.000 4.290 3.914 5.066 0.066 14 0 "[ . 1 . 2 . 3 . 4]" 1
645 1 53 VAL QG 1 54 PHE H 3.400 . 4.000 3.226 2.123 3.670 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
646 1 53 VAL QG 1 54 PHE HA 3.400 . 5.000 3.402 3.013 3.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
647 1 53 VAL QG 1 54 PHE HA 3.400 . 5.000 3.258 2.593 3.812 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
648 1 53 VAL QG 1 54 PHE QB 3.400 . 5.000 4.061 2.586 4.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
649 1 53 VAL QG 1 54 PHE QD 3.900 . 6.000 4.171 2.574 5.388 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
650 1 53 VAL QG 1 55 ARG QD 3.900 . 6.000 5.449 4.537 6.000 0.000 25 0 "[ . 1 . 2 . 3 . 4]" 1
651 1 53 VAL QG 1 56 LYS QG 2.900 . 4.000 3.629 2.783 4.038 0.038 29 0 "[ . 1 . 2 . 3 . 4]" 1
652 1 53 VAL QG 1 57 LYS QB 3.400 . 5.000 4.166 2.701 5.029 0.029 17 0 "[ . 1 . 2 . 3 . 4]" 1
653 1 53 VAL QG 1 57 LYS QG 3.400 . 5.000 4.524 3.123 5.003 0.003 39 0 "[ . 1 . 2 . 3 . 4]" 1
654 1 54 PHE H 1 54 PHE HA 2.900 . 4.000 2.848 2.738 2.943 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
655 1 54 PHE H 1 54 PHE QB 2.900 . 4.000 2.191 2.045 2.378 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
656 1 54 PHE H 1 54 PHE QD 3.900 . 6.000 3.783 2.046 4.221 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
657 1 54 PHE HA 1 54 PHE QD 3.400 . 5.000 2.759 2.383 3.043 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
658 1 54 PHE HA 1 55 ARG H 2.900 . 4.000 3.360 2.928 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
659 1 54 PHE HA 1 55 ARG HA 3.400 . 5.000 4.608 4.404 4.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
660 1 54 PHE HA 1 57 LYS QG 3.400 . 5.000 4.311 2.328 5.006 0.006 29 0 "[ . 1 . 2 . 3 . 4]" 1
661 1 54 PHE QD 1 55 ARG QG 3.400 . 5.000 4.184 2.476 5.143 0.143 34 0 "[ . 1 . 2 . 3 . 4]" 1
662 1 55 ARG H 1 55 ARG HA 2.900 . 4.000 2.911 2.752 2.956 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
663 1 55 ARG H 1 55 ARG QB 2.900 . 4.000 2.584 2.215 3.297 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
664 1 55 ARG H 1 55 ARG QD 3.400 . 5.000 2.893 1.774 4.460 0.026 16 0 "[ . 1 . 2 . 3 . 4]" 1
665 1 55 ARG H 1 55 ARG QG 2.900 . 4.000 2.735 1.793 3.769 0.007 16 0 "[ . 1 . 2 . 3 . 4]" 1
666 1 55 ARG HA 1 55 ARG QD 3.400 . 5.000 3.539 2.260 4.400 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
667 1 55 ARG HA 1 55 ARG QG 2.900 . 4.000 2.577 2.222 3.425 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
668 1 55 ARG HA 1 56 LYS H 2.900 . 4.000 3.394 2.339 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
669 1 55 ARG HA 1 56 LYS HA 3.400 . 5.000 4.701 4.331 4.882 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
670 1 55 ARG QB 1 55 ARG QD 2.900 . 4.000 2.234 2.093 2.600 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
671 1 55 ARG QB 1 55 ARG HE 3.400 . 5.000 3.469 1.870 4.447 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
672 1 55 ARG QD 1 55 ARG QH 3.400 . 5.000 1.882 1.771 2.174 0.029 16 0 "[ . 1 . 2 . 3 . 4]" 1
673 1 55 ARG HE 1 55 ARG QG 3.400 . 5.000 2.772 2.056 3.383 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
674 1 55 ARG QG 1 56 LYS H 3.400 . 5.000 4.036 2.221 4.798 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
675 1 56 LYS H 1 56 LYS HA 2.900 . 4.000 2.882 2.756 2.955 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
676 1 56 LYS H 1 56 LYS QB 2.900 . 4.000 2.451 2.108 3.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
677 1 56 LYS H 1 56 LYS QD 3.400 . 4.000 3.552 2.221 4.091 0.091 29 0 "[ . 1 . 2 . 3 . 4]" 1
678 1 56 LYS H 1 56 LYS QG 3.400 . 4.000 2.851 1.856 4.051 0.051 29 0 "[ . 1 . 2 . 3 . 4]" 1
679 1 56 LYS H 1 57 LYS H 2.300 . 2.800 2.557 1.799 2.804 0.004 34 0 "[ . 1 . 2 . 3 . 4]" 1
680 1 56 LYS HA 1 56 LYS QD 2.900 . 4.000 3.023 2.116 4.174 0.174 32 0 "[ . 1 . 2 . 3 . 4]" 1
681 1 56 LYS HA 1 56 LYS QE 3.400 . 5.000 4.264 3.382 4.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
682 1 56 LYS HA 1 56 LYS QG 2.900 . 4.000 2.699 2.280 3.348 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
683 1 56 LYS HA 1 57 LYS H 2.900 . 4.000 3.413 2.780 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
684 1 56 LYS HA 1 58 GLY H 2.900 . 4.000 3.710 3.184 4.031 0.031 1 0 "[ . 1 . 2 . 3 . 4]" 1
685 1 56 LYS QB 1 56 LYS QD 2.300 . 2.800 2.235 2.115 2.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
686 1 56 LYS QB 1 56 LYS QE 2.900 . 4.000 3.034 2.094 3.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
687 1 56 LYS QD 1 56 LYS QG 2.300 . 2.800 2.074 2.028 2.109 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
688 1 56 LYS QE 1 56 LYS QG 2.900 . 4.000 2.256 2.103 2.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
689 1 56 LYS QG 1 57 LYS H 3.400 . 5.000 3.679 1.813 4.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
690 1 57 LYS H 1 57 LYS HA 2.300 . 2.800 2.712 2.297 2.870 0.070 13 0 "[ . 1 . 2 . 3 . 4]" 1
691 1 57 LYS H 1 57 LYS QB 2.900 . 4.000 2.410 2.074 3.277 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
692 1 57 LYS H 1 57 LYS QD 3.400 . 5.000 4.258 2.705 5.104 0.104 29 0 "[ . 1 . 2 . 3 . 4]" 1
693 1 57 LYS H 1 57 LYS QG 2.900 . 4.000 3.305 2.104 4.042 0.042 14 0 "[ . 1 . 2 . 3 . 4]" 1
694 1 57 LYS H 1 58 GLY H 2.900 . 4.000 2.926 1.793 3.827 0.007 13 0 "[ . 1 . 2 . 3 . 4]" 1
695 1 57 LYS HA 1 57 LYS QB . . 2.800 2.346 2.179 2.542 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
696 1 57 LYS HA 1 57 LYS QD 2.900 . 4.000 3.477 2.129 4.012 0.012 15 0 "[ . 1 . 2 . 3 . 4]" 1
697 1 57 LYS HA 1 57 LYS QE 3.400 . 5.000 4.256 2.316 5.103 0.103 37 0 "[ . 1 . 2 . 3 . 4]" 1
698 1 57 LYS HA 1 57 LYS QG 2.900 . 4.000 2.692 2.162 3.382 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
699 1 57 LYS HA 1 58 GLY H 2.900 . 4.000 3.302 2.473 3.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
700 1 57 LYS HA 1 58 GLY QA 3.400 . 5.000 4.298 4.106 4.490 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
701 1 57 LYS QB 1 57 LYS QD 2.300 . 2.800 2.230 2.094 2.338 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
702 1 57 LYS QB 1 58 GLY H 3.400 . 4.000 3.275 2.086 4.035 0.035 4 0 "[ . 1 . 2 . 3 . 4]" 1
703 1 57 LYS QB 1 59 HIS H 3.400 . 5.000 4.051 2.017 5.002 0.002 21 0 "[ . 1 . 2 . 3 . 4]" 1
704 1 57 LYS QD 1 57 LYS QE 2.300 . 2.800 2.056 1.970 2.108 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
705 1 57 LYS QD 1 57 LYS QG 2.300 . 2.800 2.060 2.013 2.109 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
706 1 57 LYS QD 1 58 GLY H 3.400 . 5.000 4.252 2.780 5.031 0.031 28 0 "[ . 1 . 2 . 3 . 4]" 1
707 1 57 LYS QD 1 61 HIS HA 3.400 . 5.000 4.434 2.622 5.013 0.013 37 0 "[ . 1 . 2 . 3 . 4]" 1
708 1 57 LYS QG 1 58 GLY H 3.400 . 5.000 3.444 1.792 4.829 0.008 22 0 "[ . 1 . 2 . 3 . 4]" 1
709 1 57 LYS QG 1 59 HIS H 3.400 . 5.000 3.570 2.415 5.009 0.009 39 0 "[ . 1 . 2 . 3 . 4]" 1
710 1 57 LYS QG 1 59 HIS HD2 3.400 . 5.000 4.343 2.331 5.011 0.011 3 0 "[ . 1 . 2 . 3 . 4]" 1
711 1 57 LYS QG 1 60 HIS H 3.400 . 5.000 4.405 2.080 5.062 0.062 37 0 "[ . 1 . 2 . 3 . 4]" 1
712 1 58 GLY H 1 58 GLY QA . . 2.800 2.260 2.194 2.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
713 1 58 GLY QA 1 59 HIS H 2.900 . 4.000 2.551 2.153 2.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
714 1 58 GLY QA 1 59 HIS HD2 3.400 . 5.000 3.819 2.977 4.875 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
715 1 59 HIS H 1 59 HIS HA 2.900 . 4.000 2.717 2.295 2.956 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
716 1 59 HIS H 1 59 HIS QB 2.900 . 4.000 3.056 2.233 3.467 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
717 1 59 HIS H 1 59 HIS HD2 3.400 . 5.000 2.623 1.810 4.828 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
718 1 59 HIS HA 1 59 HIS QB 2.300 . 2.800 2.304 2.163 2.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
719 1 59 HIS HA 1 59 HIS HD2 2.900 . 4.000 3.502 2.445 4.008 0.008 22 0 "[ . 1 . 2 . 3 . 4]" 1
720 1 59 HIS QB 1 59 HIS HD2 3.400 . 4.000 3.138 2.713 3.321 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
721 1 60 HIS H 1 60 HIS HA 2.900 . 4.000 2.788 2.298 2.948 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
722 1 60 HIS H 1 60 HIS QB 3.400 . 4.000 2.698 2.129 3.355 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
723 1 60 HIS HA 1 60 HIS QB 2.300 . 2.800 2.446 2.170 2.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
724 1 60 HIS QB 1 60 HIS HD2 2.900 . 4.000 2.926 2.681 3.322 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
725 1 61 HIS H 1 61 HIS HA 2.900 . 4.000 2.728 2.296 2.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
726 1 61 HIS H 1 61 HIS QB 3.400 . 4.000 2.584 2.053 3.056 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
727 1 61 HIS HA 1 61 HIS QB 2.300 . 2.800 2.449 2.262 2.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
728 1 61 HIS HA 1 61 HIS HD2 2.300 . 2.800 2.532 2.352 2.800 0.000 6 0 "[ . 1 . 2 . 3 . 4]" 1
729 1 61 HIS QB 1 61 HIS HD2 2.900 . 4.000 3.125 2.935 3.320 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
730 1 62 HIS H 1 62 HIS HA 2.900 . 4.000 2.817 2.297 2.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
731 1 62 HIS H 1 62 HIS QB 3.400 . 4.000 2.610 2.052 3.231 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
732 1 62 HIS HA 1 62 HIS QB 2.300 . 2.800 2.331 2.163 2.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
733 1 62 HIS QB 1 62 HIS HD2 2.900 . 4.000 2.799 2.681 3.207 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
734 1 63 HIS H 1 63 HIS HA 2.900 . 4.000 2.867 2.821 2.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
735 1 63 HIS H 1 63 HIS QB 2.900 . 4.000 3.012 2.819 3.402 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
736 1 63 HIS H 1 64 HIS HA 2.900 . 4.000 3.972 3.887 4.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
737 1 63 HIS HA 1 63 HIS QB 2.300 . 2.800 2.337 2.182 2.493 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
738 1 63 HIS HA 1 63 HIS HD2 3.400 . 5.000 3.933 2.397 4.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
739 1 63 HIS HA 1 64 HIS H 2.300 . 2.800 2.668 2.454 2.801 0.001 11 0 "[ . 1 . 2 . 3 . 4]" 1
740 1 63 HIS QB 1 63 HIS HD2 2.900 . 4.000 2.816 2.681 3.260 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
741 1 64 HIS H 1 64 HIS HA 2.900 . 4.000 2.732 2.313 2.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
742 1 64 HIS H 1 64 HIS QB . . 2.800 2.272 2.044 2.798 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
743 1 64 HIS QB 1 64 HIS HD2 3.400 . 4.000 2.818 2.681 3.272 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
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