NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
377562 |
1gb1   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1gb1
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 796
_Distance_constraint_stats_list.Viol_count 4088
_Distance_constraint_stats_list.Viol_total 14957.855
_Distance_constraint_stats_list.Viol_max 0.306
_Distance_constraint_stats_list.Viol_rms 0.0245
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0052
_Distance_constraint_stats_list.Viol_average_violations_only 0.0610
_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 0.585 0.169 60 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 2 THR 3.205 0.169 60 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 3 TYR 16.733 0.202 49 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 4 LYS 19.199 0.205 27 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 5 LEU 21.571 0.304 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 6 ILE 17.104 0.262 45 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 7 LEU 0.317 0.069 12 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 8 ASN 25.541 0.155 19 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 9 GLY 7.045 0.153 5 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 10 LYS 10.263 0.156 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 11 THR 5.358 0.175 28 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 12 LEU 6.239 0.156 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 13 LYS 3.872 0.108 12 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 15 GLU 7.461 0.191 1 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 16 THR 0.643 0.060 10 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 17 THR 4.964 0.129 56 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 18 THR 2.285 0.066 8 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 19 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 20 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 21 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 22 ASP 0.133 0.034 7 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 23 ALA 0.161 0.035 22 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 24 ALA 2.984 0.107 6 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 25 THR 0.846 0.060 6 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 26 ALA 1.974 0.061 16 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 27 GLU 8.817 0.107 6 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 28 LYS 2.127 0.074 10 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 29 VAL 2.082 0.063 6 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 30 PHE 24.099 0.190 58 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 31 LYS 7.029 0.104 30 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 32 GLN 1.102 0.045 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 33 TYR 8.557 0.067 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 34 ALA 8.103 0.080 25 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 35 ASN 0.577 0.039 4 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 36 ASP 1.053 0.036 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 37 ASN 1.692 0.058 11 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 38 GLY 1.392 0.058 11 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 39 VAL 2.765 0.080 25 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 40 ASP 0.155 0.024 17 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 41 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 42 GLU 12.132 0.200 22 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 43 TRP 25.281 0.200 22 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 44 THR 9.271 0.163 20 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 45 TYR 33.786 0.306 52 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 46 ASP 2.675 0.079 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 47 ASP 0.226 0.028 20 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 49 THR 0.682 0.053 19 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 50 LYS 4.790 0.092 37 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 51 THR 10.648 0.205 27 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 52 PHE 71.414 0.306 52 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 53 THR 6.986 0.105 14 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 54 VAL 13.117 0.163 20 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 55 THR 16.993 0.155 19 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 56 GLU 4.890 0.084 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 THR HA 1 18 THR H 4.000 . 5.000 4.401 4.197 4.860 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
2 1 4 LYS HA 1 18 THR H 4.000 . 5.000 3.976 3.893 4.091 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
3 1 5 LEU HA 1 52 PHE H 2.500 . 2.700 2.933 2.866 3.004 0.304 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
4 1 6 ILE HA 1 16 THR H 4.000 . 5.000 4.220 4.050 4.300 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
5 1 8 ASN HA 1 14 GLY H 4.000 . 5.000 4.321 4.172 4.485 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
6 1 7 LEU H 1 13 LYS HA 4.000 . 5.000 4.917 4.677 5.069 0.069 12 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
7 1 9 GLY H 1 13 LYS HA 2.500 . 2.700 2.665 2.474 2.775 0.075 29 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
8 1 7 LEU H 1 15 GLU HA 2.500 . 2.900 2.691 2.524 2.964 0.064 28 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
9 1 5 LEU H 1 17 THR HA 2.500 . 2.900 2.896 2.776 2.966 0.066 42 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
10 1 43 TRP HA 1 55 THR H 3.000 . 3.500 3.558 3.510 3.604 0.104 42 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
11 1 46 ASP H 1 52 PHE HA 3.000 . 3.500 2.877 2.794 2.934 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
12 1 6 ILE H 1 53 THR HA 2.500 . 2.900 2.023 1.901 2.179 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
13 1 44 THR H 1 54 VAL HA 2.500 . 2.700 2.821 2.781 2.863 0.163 20 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
14 1 42 GLU H 1 56 GLU HA 3.000 . 3.500 3.297 2.993 3.508 0.008 55 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
15 1 3 TYR H 1 18 THR H 3.000 . 3.500 3.425 3.277 3.512 0.012 39 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
16 1 6 ILE H 1 54 VAL H 4.000 . 5.000 3.365 3.217 3.521 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
17 1 7 LEU H 1 14 GLY H 3.000 . 3.500 3.065 2.871 3.281 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
18 1 8 ASN H 1 54 VAL H 3.000 . 3.500 3.598 3.536 3.647 0.147 27 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
19 1 5 LEU H 1 16 THR H 3.000 . 3.500 3.040 2.823 3.246 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
20 1 42 GLU H 1 55 THR H 3.000 . 3.500 3.538 3.315 3.576 0.076 17 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
21 1 44 THR H 1 53 THR H 3.000 . 3.500 3.534 3.500 3.564 0.064 30 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
22 1 4 LYS H 1 52 PHE H 3.000 . 3.500 2.675 2.378 2.925 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
23 1 6 ILE H 1 52 PHE H 4.000 . 5.000 4.788 4.704 4.894 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
24 1 4 LYS HA 1 17 THR HA 2.500 . 2.700 2.377 2.305 2.520 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
25 1 6 ILE HA 1 15 GLU HA 2.500 . 2.700 2.666 2.459 2.777 0.077 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
26 1 2 THR HA 1 19 GLU HA 2.500 . 2.700 2.461 2.339 2.674 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
27 1 43 TRP HA 1 54 VAL HA 2.500 . 2.700 2.389 2.336 2.437 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
28 1 5 LEU HA 1 51 THR HA 4.000 . 6.000 4.717 4.586 4.831 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
29 1 45 TYR HA 1 52 PHE HA 2.500 . 2.700 2.705 2.629 2.753 0.053 49 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
30 1 5 LEU HA 1 53 THR HA 4.000 . 6.000 3.610 3.518 3.724 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
31 1 7 LEU HA 1 53 THR HA 4.000 . 5.000 4.823 4.600 4.992 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
32 1 41 GLY HA3 1 56 GLU HA 2.500 . 3.700 2.778 2.361 3.180 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
33 1 2 THR HA 1 19 GLU QB 4.000 . 6.000 4.421 4.002 4.722 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
34 1 3 TYR HA 1 50 LYS HB3 4.000 . 5.000 2.848 2.553 3.315 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
35 1 3 TYR HA 1 50 LYS HB2 4.000 . 5.000 3.807 3.410 4.223 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
36 1 4 LYS HA 1 17 THR HB 3.000 . 3.300 3.338 3.260 3.429 0.129 56 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
37 1 5 LEU HA 1 52 PHE HB3 3.000 . 3.300 2.427 2.313 2.650 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
38 1 5 LEU HA 1 52 PHE HB2 3.000 . 3.300 2.579 2.462 2.700 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
39 1 7 LEU HB3 1 13 LYS HA 4.000 . 5.000 3.238 2.906 3.687 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
40 1 2 THR HB 1 17 THR HA 4.000 . 6.000 6.024 5.714 6.075 0.075 7 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
41 1 4 LYS HB3 1 17 THR HA 4.000 . 6.000 5.356 5.282 5.494 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
42 1 4 LYS HB2 1 17 THR HA 4.000 . 5.000 4.737 4.427 4.948 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
43 1 20 ALA MB 1 26 ALA HA 3.000 . 4.800 2.613 2.286 2.952 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
44 1 34 ALA MB 1 40 ASP HA 4.000 . 7.500 3.934 3.658 4.239 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
45 1 8 ASN HB3 1 55 THR HA 2.500 . 2.700 2.815 2.767 2.855 0.155 19 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
46 1 8 ASN HB2 1 55 THR HA 2.500 . 2.700 2.706 2.529 2.772 0.072 34 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
47 1 43 TRP HB3 1 54 VAL HA 4.000 . 5.000 4.710 4.637 4.773 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
48 1 43 TRP HA 1 54 VAL HB 4.000 . 5.000 3.378 3.165 3.568 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
49 1 4 LYS HB2 1 51 THR HA 3.000 . 3.300 3.413 3.334 3.505 0.205 27 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
50 1 4 LYS HB3 1 51 THR HA 4.000 . 5.000 2.750 2.328 2.955 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
51 1 3 TYR HB2 1 52 PHE HA 4.000 . 5.000 5.161 5.135 5.202 0.202 49 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
52 1 3 TYR HB3 1 46 ASP HB3 4.000 . 6.000 6.033 5.968 6.079 0.079 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
53 1 3 TYR HB2 1 26 ALA MB 3.000 . 4.800 3.891 3.856 3.955 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
54 1 20 ALA MB 1 26 ALA MB 2.500 . 5.700 2.244 2.011 2.739 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
55 1 34 ALA MB 1 54 VAL HB 4.000 . 6.500 4.669 4.372 4.963 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
56 1 8 ASN H 1 54 VAL HB 4.000 . 6.000 5.411 5.354 5.501 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
57 1 42 GLU HB3 1 55 THR HB 4.000 . 5.000 4.584 3.839 4.991 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
58 1 42 GLU HB2 1 55 THR HB 3.000 . 3.300 3.146 2.773 3.311 0.011 37 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
59 1 3 TYR H 1 17 THR HB 4.000 . 5.000 4.669 4.373 4.843 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
60 1 46 ASP H 1 51 THR HB 4.000 . 5.000 4.596 4.322 4.684 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
61 1 44 THR H 1 53 THR HB 4.000 . 5.000 4.034 3.680 4.303 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
62 1 42 GLU H 1 55 THR HB 4.000 . 5.000 4.470 4.010 4.776 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
63 1 3 TYR HB2 1 18 THR H 4.000 . 6.000 4.328 4.130 4.460 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
64 1 5 LEU HB3 1 16 THR H 3.000 . 3.500 2.448 2.306 2.925 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
65 1 5 LEU HB2 1 16 THR H 4.000 . 6.000 4.162 4.023 4.565 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
66 1 5 LEU HB3 1 15 GLU H 4.000 . 6.000 6.114 6.045 6.191 0.191 1 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
67 1 7 LEU H 1 15 GLU QB 4.000 . 6.000 3.293 3.096 3.717 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
68 1 39 VAL HB 1 56 GLU H 4.000 . 6.000 6.016 5.965 6.041 0.041 47 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
69 1 10 LYS H 1 56 GLU HB3 2.500 . 2.900 2.886 2.316 2.958 0.058 17 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
70 1 10 LYS H 1 56 GLU HB2 2.500 . 2.900 2.943 2.910 2.984 0.084 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
71 1 5 LEU MD2 1 16 THR MG 3.000 . 6.300 2.335 2.160 2.830 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
72 1 5 LEU MD2 1 30 PHE HA 3.000 . 4.800 3.544 3.459 3.628 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
73 1 5 LEU MD1 1 30 PHE HB2 4.000 . 6.500 3.918 3.756 4.542 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
74 1 5 LEU MD2 1 30 PHE HB2 4.000 . 6.500 3.819 3.771 3.899 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
75 1 5 LEU MD2 1 30 PHE HB3 3.000 . 4.800 2.302 2.287 2.385 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
76 1 5 LEU MD1 1 30 PHE HB3 4.000 . 6.500 2.958 2.846 3.431 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
77 1 5 LEU MD2 1 33 TYR QB 4.000 . 7.500 3.426 3.215 3.694 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
78 1 5 LEU MD2 1 34 ALA HA 4.000 . 6.500 4.379 4.074 4.768 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
79 1 5 LEU MD2 1 34 ALA H 4.000 . 6.500 3.846 3.615 4.149 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
80 1 5 LEU MD2 1 34 ALA MB 3.000 . 6.300 3.281 2.934 3.581 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
81 1 5 LEU MD1 1 34 ALA MB 4.000 . 8.000 4.283 3.977 4.601 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
82 1 5 LEU MD1 1 52 PHE H 4.000 . 6.500 4.381 4.302 4.518 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
83 1 5 LEU MD1 1 54 VAL H 2.500 . 4.400 2.841 2.574 3.165 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
84 1 5 LEU MD1 1 15 GLU HA 4.000 . 6.500 4.842 4.210 5.067 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
85 1 5 LEU MD1 1 53 THR HA 3.000 . 4.800 2.357 2.286 2.533 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
86 1 5 LEU MD1 1 54 VAL MG1 4.000 . 8.000 2.194 2.059 2.385 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
87 1 5 LEU MD1 1 54 VAL MG2 4.000 . 8.000 3.888 3.760 4.044 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
88 1 5 LEU MD1 1 54 VAL HB 4.000 . 6.500 2.670 2.480 2.993 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
89 1 5 LEU HG 1 15 GLU HA 4.000 . 5.000 3.395 2.827 3.680 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
90 1 6 ILE MG 1 14 GLY H 4.000 . 6.500 4.366 4.110 4.627 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
91 1 6 ILE MD 1 15 GLU QB 3.000 . 5.800 4.170 3.758 4.394 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
92 1 7 LEU MD1 1 15 GLU HA 3.000 . 4.800 2.939 2.559 3.394 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
93 1 7 LEU MD1 1 16 THR MG 3.000 . 6.300 3.086 2.528 3.603 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
94 1 7 LEU QD 1 34 ALA H 4.000 . 7.400 3.890 3.470 4.211 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
95 1 7 LEU MD1 1 34 ALA HA 4.000 . 6.500 3.910 3.398 4.655 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
96 1 7 LEU MD2 1 34 ALA HA 4.000 . 6.500 2.840 2.444 3.178 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
97 1 7 LEU QD 1 15 GLU HG3 4.000 . 9.400 5.405 4.528 6.176 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
98 1 7 LEU MD1 1 15 GLU HG2 4.000 . 8.500 5.143 4.609 5.955 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
99 1 7 LEU MD2 1 34 ALA MB 3.000 . 6.300 2.274 2.033 2.785 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
100 1 7 LEU MD2 1 54 VAL HB 4.000 . 6.500 4.503 4.295 4.739 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
101 1 7 LEU MD2 1 39 VAL HB 4.000 . 6.500 2.672 2.280 3.092 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
102 1 12 LEU MD2 1 37 ASN HB3 2.500 . 4.200 2.523 2.070 2.970 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
103 1 12 LEU MD1 1 37 ASN HB2 4.000 . 7.500 5.989 5.409 6.285 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
104 1 12 LEU MD2 1 37 ASN HB2 3.000 . 4.800 3.743 2.929 4.057 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
105 1 12 LEU MD1 1 37 ASN HB3 4.000 . 7.500 4.587 4.150 5.135 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
106 1 10 LYS H 1 56 GLU QG 4.000 . 6.000 4.289 3.783 4.683 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
107 1 9 GLY H 1 39 VAL MG1 3.000 . 5.000 3.383 2.937 3.779 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
108 1 9 GLY H 1 39 VAL MG2 4.000 . 7.500 3.840 3.409 4.472 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
109 1 8 ASN H 1 39 VAL MG1 4.000 . 6.500 3.700 3.266 3.967 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
110 1 10 LYS H 1 39 VAL MG1 4.000 . 6.500 4.411 3.990 4.784 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
111 1 10 LYS H 1 39 VAL MG2 4.000 . 7.500 4.557 3.659 5.396 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
112 1 12 LEU H 1 39 VAL MG2 4.000 . 6.500 4.548 3.885 5.245 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
113 1 12 LEU H 1 39 VAL MG1 4.000 . 7.500 5.482 4.964 6.068 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
114 1 39 VAL MG1 1 54 VAL HA 4.000 . 6.500 5.282 5.015 5.401 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
115 1 39 VAL MG1 1 56 GLU HA 4.000 . 6.500 3.526 3.157 3.848 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
116 1 39 VAL MG1 1 56 GLU H 4.000 . 6.500 2.966 2.894 3.058 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
117 1 39 VAL MG1 1 56 GLU QG 3.000 . 5.800 2.592 2.240 3.124 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
118 1 39 VAL MG1 1 56 GLU QB 4.000 . 7.500 2.459 2.263 2.669 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
119 1 39 VAL MG1 1 54 VAL MG1 2.500 . 5.700 2.374 2.145 2.588 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
120 1 39 VAL MG1 1 54 VAL MG2 2.500 . 5.700 2.784 2.413 3.027 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
121 1 39 VAL MG1 1 54 VAL HB 4.000 . 6.500 4.644 4.351 4.851 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
122 1 34 ALA MB 1 39 VAL MG1 4.000 . 8.000 3.008 2.477 3.449 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
123 1 34 ALA MB 1 39 VAL MG2 4.000 . 9.000 3.565 3.138 3.822 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
124 1 7 LEU HA 1 39 VAL MG1 4.000 . 6.500 3.681 3.239 4.057 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
125 1 5 LEU HB2 1 54 VAL MG1 4.000 . 7.500 5.274 5.064 5.507 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
126 1 7 LEU MD2 1 54 VAL MG1 2.500 . 5.700 2.209 2.033 2.426 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
127 1 7 LEU MD2 1 54 VAL MG2 4.000 . 8.000 3.835 3.502 4.150 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
128 1 7 LEU HG 1 54 VAL MG1 3.000 . 4.800 2.919 2.610 3.271 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
129 1 7 LEU HB3 1 54 VAL MG2 4.000 . 7.500 5.850 5.406 6.137 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
130 1 8 ASN H 1 54 VAL MG1 2.500 . 4.200 2.787 2.695 2.929 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
131 1 34 ALA MB 1 54 VAL MG1 3.000 . 6.300 3.007 2.760 3.251 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
132 1 34 ALA MB 1 54 VAL MG2 4.000 . 8.000 3.537 3.310 3.769 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
133 1 39 VAL HB 1 54 VAL MG1 4.000 . 7.500 3.866 3.425 4.215 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
134 1 40 ASP HA 1 54 VAL MG2 4.000 . 6.500 3.497 3.116 3.941 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
135 1 41 GLY H 1 54 VAL MG2 2.500 . 4.400 3.270 3.148 3.396 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
136 1 41 GLY H 1 54 VAL MG1 4.000 . 6.500 5.321 5.144 5.366 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
137 1 41 GLY HA3 1 54 VAL MG2 4.000 . 7.500 4.554 4.255 4.833 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
138 1 41 GLY HA2 1 54 VAL MG2 4.000 . 8.500 5.298 5.134 5.471 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
139 1 42 GLU H 1 54 VAL MG2 4.000 . 6.500 3.591 3.214 3.802 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
140 1 43 TRP HA 1 54 VAL MG2 3.000 . 4.800 2.370 2.296 2.486 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
141 1 2 THR MG 1 18 THR H 2.500 . 4.400 2.641 2.433 3.050 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
142 1 2 THR MG 1 17 THR HA 4.000 . 6.500 3.588 3.391 3.975 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
143 1 2 THR MG 1 19 GLU QG 4.000 . 7.500 2.952 2.079 4.183 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
144 1 5 LEU H 1 16 THR MG 3.000 . 5.000 3.611 3.243 3.794 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
145 1 5 LEU HB2 1 16 THR MG 3.000 . 4.800 3.579 3.431 3.683 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
146 1 16 THR MG 1 33 TYR QB 4.000 . 7.500 3.572 3.275 3.991 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
147 1 4 LYS HA 1 17 THR MG 3.000 . 4.800 2.733 2.250 2.972 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
148 1 4 LYS H 1 17 THR MG 4.000 . 7.500 4.926 4.255 5.204 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
149 1 3 TYR H 1 18 THR MG 3.000 . 5.000 3.319 3.048 3.596 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
150 1 3 TYR HB2 1 18 THR MG 4.000 . 6.500 3.782 3.603 4.098 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
151 1 18 THR MG 1 26 ALA HA 3.000 . 4.800 3.284 2.970 3.590 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
152 1 18 THR MG 1 29 VAL MG1 3.000 . 6.300 2.149 1.986 2.453 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
153 1 18 THR MG 1 29 VAL MG2 4.000 . 8.000 3.546 3.320 3.852 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
154 1 18 THR MG 1 29 VAL HB 3.000 . 4.800 3.004 2.710 3.317 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
155 1 25 THR HB 1 28 LYS QD 4.000 . 6.000 4.873 3.229 5.456 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
156 1 25 THR HB 1 28 LYS QE 4.000 . 6.000 4.717 3.274 5.420 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
157 1 4 LYS HB3 1 51 THR MG 3.000 . 4.800 2.295 2.057 2.631 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
158 1 4 LYS HB2 1 51 THR MG 3.000 . 4.800 3.710 3.119 3.946 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
159 1 5 LEU HA 1 51 THR MG 4.000 . 6.500 3.870 3.631 4.192 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
160 1 6 ILE QG 1 51 THR MG 4.000 . 7.500 2.547 2.205 2.881 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
161 1 6 ILE HB 1 53 THR MG 3.000 . 4.800 2.343 2.092 2.565 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
162 1 7 LEU H 1 53 THR MG 4.000 . 6.500 5.236 5.192 5.287 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
163 1 8 ASN HB3 1 53 THR MG 4.000 . 6.500 4.848 4.689 5.024 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
164 1 8 ASN HB2 1 53 THR MG 4.000 . 6.500 3.531 3.379 3.696 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
165 1 8 ASN H 1 55 THR MG 3.000 . 5.000 4.205 4.154 4.255 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
166 1 3 TYR HD1 1 20 ALA MB 3.000 . 4.800 2.822 2.514 3.511 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
167 1 3 TYR HE1 1 20 ALA MB 3.000 . 4.800 2.188 2.070 2.550 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
168 1 3 TYR HE2 1 23 ALA MB 4.000 . 6.500 4.532 4.199 4.998 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
169 1 3 TYR HD1 1 26 ALA MB 3.000 . 4.800 3.254 2.915 3.468 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
170 1 3 TYR HD2 1 45 TYR HE1 3.000 . 3.300 3.284 3.099 3.353 0.053 60 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
171 1 3 TYR HE2 1 45 TYR HE1 4.000 . 5.000 3.580 3.374 3.803 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
172 1 3 TYR HD2 1 50 LYS HA 3.000 . 3.300 2.333 2.311 2.477 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
173 1 3 TYR HD2 1 50 LYS HB2 4.000 . 5.000 4.219 3.959 4.278 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
174 1 3 TYR HD2 1 50 LYS HB3 2.500 . 2.700 2.711 2.406 2.747 0.047 29 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
175 1 3 TYR HB3 1 30 PHE HZ 4.000 . 5.000 5.034 4.932 5.069 0.069 39 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
176 1 3 TYR HB2 1 30 PHE HZ 4.000 . 5.000 3.621 3.511 3.741 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
177 1 3 TYR HB3 1 30 PHE HE2 4.000 . 5.000 3.983 3.922 4.028 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
178 1 3 TYR HB2 1 30 PHE HE2 4.000 . 5.000 2.312 2.281 2.335 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
179 1 4 LYS HA 1 30 PHE HZ 3.000 . 3.300 3.419 3.383 3.490 0.190 58 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
180 1 4 LYS HA 1 30 PHE HE1 4.000 . 5.000 4.682 4.583 4.899 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
181 1 4 LYS HA 1 30 PHE HE2 4.000 . 5.000 5.047 5.021 5.077 0.077 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
182 1 5 LEU HB2 1 30 PHE HD1 3.000 . 3.300 3.072 2.971 3.223 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
183 1 5 LEU HB2 1 30 PHE HE1 3.000 . 3.300 3.033 2.994 3.116 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
184 1 5 LEU HB2 1 30 PHE HZ 4.000 . 5.000 3.541 3.394 3.652 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
185 1 5 LEU H 1 30 PHE HZ 4.000 . 5.000 3.095 2.970 3.288 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
186 1 5 LEU H 1 30 PHE HE1 4.000 . 5.000 3.329 3.195 3.537 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
187 1 5 LEU H 1 30 PHE HE2 4.000 . 5.000 4.757 4.616 4.933 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
188 1 16 THR MG 1 30 PHE HE1 3.000 . 4.800 2.172 2.060 2.360 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
189 1 16 THR MG 1 30 PHE HZ 4.000 . 7.500 4.128 3.734 4.408 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
190 1 16 THR HB 1 30 PHE HE1 4.000 . 5.000 4.832 4.713 5.007 0.007 7 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
191 1 17 THR HA 1 30 PHE HZ 3.000 . 3.300 2.372 2.326 2.486 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
192 1 17 THR HA 1 30 PHE HE1 4.000 . 5.000 3.294 3.160 3.427 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
193 1 17 THR HA 1 30 PHE HE2 4.000 . 5.000 4.696 4.618 4.810 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
194 1 17 THR HB 1 30 PHE HZ 4.000 . 6.000 4.287 4.198 4.403 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
195 1 18 THR H 1 30 PHE HE1 3.000 . 3.500 3.537 3.502 3.566 0.066 8 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
196 1 18 THR HB 1 30 PHE HZ 4.000 . 5.000 3.181 3.010 3.439 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
197 1 18 THR HB 1 30 PHE HE1 3.000 . 3.300 2.892 2.677 3.173 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
198 1 18 THR MG 1 30 PHE HZ 3.000 . 4.800 2.672 2.528 2.780 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
199 1 16 THR MG 1 33 TYR HD1 4.000 . 6.500 3.771 3.277 4.306 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
200 1 16 THR MG 1 33 TYR HE1 4.000 . 6.500 3.676 3.005 4.320 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
201 1 5 LEU MD2 1 33 TYR HD1 3.000 . 4.800 3.381 3.129 3.722 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
202 1 7 LEU MD1 1 33 TYR HD1 3.000 . 4.800 3.064 2.576 3.667 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
203 1 7 LEU MD1 1 33 TYR HE1 3.000 . 4.800 2.391 2.165 2.841 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
204 1 7 LEU MD2 1 33 TYR HD1 3.000 . 4.800 3.283 2.861 3.741 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
205 1 7 LEU MD2 1 33 TYR HE1 3.000 . 4.800 3.580 2.940 3.876 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
206 1 5 LEU MD1 1 43 TRP HH2 3.000 . 4.800 3.582 3.378 3.754 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
207 1 5 LEU MD1 1 43 TRP HZ3 3.000 . 4.800 2.822 2.639 3.305 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
208 1 5 LEU HB2 1 43 TRP HZ3 4.000 . 5.000 4.795 4.636 4.999 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
209 1 5 LEU MD1 1 43 TRP HE3 4.000 . 6.500 4.040 3.879 4.445 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
210 1 5 LEU MD1 1 43 TRP HZ2 4.000 . 6.500 4.966 4.798 5.120 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
211 1 30 PHE H 1 43 TRP HH2 4.000 . 6.000 5.105 4.877 5.426 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
212 1 31 LYS H 1 43 TRP HH2 4.000 . 5.000 3.376 3.163 3.604 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
213 1 31 LYS HA 1 43 TRP HH2 3.000 . 3.300 2.335 2.317 2.361 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
214 1 31 LYS HA 1 43 TRP HZ2 3.000 . 3.300 2.368 2.331 2.678 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
215 1 31 LYS HB2 1 43 TRP HE3 4.000 . 5.000 5.057 5.023 5.104 0.104 30 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
216 1 31 LYS HB2 1 43 TRP HH2 4.000 . 6.000 3.786 3.595 3.952 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
217 1 31 LYS HB2 1 43 TRP HZ2 4.000 . 6.000 3.821 3.506 4.102 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
218 1 31 LYS HA 1 43 TRP HE1 4.000 . 6.000 4.883 4.796 5.211 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
219 1 31 LYS HB2 1 43 TRP HE1 4.000 . 6.000 5.111 4.845 5.500 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
220 1 31 LYS QG 1 43 TRP HE1 4.000 . 7.000 3.967 3.490 4.626 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
221 1 34 ALA MB 1 43 TRP HH2 2.500 . 4.200 2.745 2.414 3.210 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
222 1 34 ALA MB 1 43 TRP HZ2 3.000 . 4.800 2.391 2.193 2.637 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
223 1 34 ALA MB 1 43 TRP HZ3 4.000 . 6.500 4.805 4.450 5.222 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
224 1 40 ASP HA 1 43 TRP HE1 4.000 . 5.000 2.614 2.134 3.025 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
225 1 43 TRP HZ3 1 52 PHE HD1 3.000 . 3.300 3.330 3.255 3.369 0.069 35 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
226 1 43 TRP HE3 1 52 PHE HD1 3.000 . 3.300 2.957 2.797 3.017 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
227 1 43 TRP HE3 1 52 PHE HE1 4.000 . 5.000 3.152 3.025 3.321 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
228 1 43 TRP HE3 1 52 PHE HA 4.000 . 6.000 5.990 5.798 6.036 0.036 29 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
229 1 43 TRP HE3 1 52 PHE HB3 4.000 . 5.000 4.885 4.702 5.001 0.001 16 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
230 1 43 TRP HE3 1 53 THR H 4.000 . 5.000 4.514 4.295 4.613 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
231 1 43 TRP HZ2 1 54 VAL HB 4.000 . 5.000 4.299 4.178 4.409 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
232 1 43 TRP HE3 1 54 VAL HB 4.000 . 5.000 3.456 3.306 3.651 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
233 1 43 TRP HE3 1 54 VAL HA 4.000 . 5.000 4.692 4.556 4.793 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
234 1 43 TRP HE1 1 54 VAL MG1 4.000 . 6.500 4.720 4.610 4.813 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
235 1 43 TRP HE1 1 54 VAL MG2 3.000 . 4.800 2.663 2.620 2.764 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
236 1 43 TRP HZ2 1 54 VAL MG2 3.000 . 4.800 2.946 2.823 3.151 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
237 1 43 TRP HZ2 1 54 VAL MG1 4.000 . 6.500 3.735 3.621 3.861 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
238 1 43 TRP HE3 1 54 VAL MG2 3.000 . 4.800 3.794 3.739 3.873 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
239 1 43 TRP HE3 1 54 VAL MG1 4.000 . 6.500 4.840 4.651 5.047 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
240 1 43 TRP HH2 1 54 VAL MG2 4.000 . 6.500 4.039 3.897 4.200 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
241 1 43 TRP HH2 1 54 VAL MG1 4.000 . 6.500 3.743 3.584 3.909 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
242 1 43 TRP HZ3 1 54 VAL MG2 4.000 . 6.500 4.438 4.356 4.559 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
243 1 43 TRP HZ3 1 54 VAL MG1 4.000 . 6.500 4.356 4.194 4.568 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
244 1 23 ALA MB 1 45 TYR HE2 4.000 . 6.500 2.152 2.082 2.291 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
245 1 26 ALA H 1 45 TYR HE2 4.000 . 5.000 5.005 4.820 5.061 0.061 16 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
246 1 45 TYR HE1 1 51 THR H 4.000 . 5.000 4.148 3.843 4.382 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
247 1 45 TYR HE1 1 52 PHE HD2 4.000 . 5.000 5.036 5.006 5.066 0.066 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
248 1 45 TYR HE2 1 52 PHE HD2 4.000 . 5.000 4.500 4.463 4.535 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
249 1 45 TYR HE2 1 52 PHE HE2 3.000 . 3.300 2.324 2.307 2.335 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
250 1 45 TYR HE2 1 52 PHE HZ 4.000 . 5.000 2.347 2.328 2.447 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
251 1 45 TYR HD2 1 52 PHE HD1 4.000 . 5.000 4.816 4.767 4.875 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
252 1 45 TYR HD2 1 52 PHE HD2 4.000 . 5.000 5.168 5.152 5.185 0.185 16 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
253 1 45 TYR HD2 1 52 PHE HE1 3.000 . 3.300 3.059 3.027 3.121 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
254 1 45 TYR QD 1 52 PHE HA 3.000 . 5.300 4.444 4.383 4.520 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
255 1 5 LEU HB2 1 52 PHE HD1 4.000 . 6.000 5.140 4.967 5.327 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
256 1 5 LEU HB2 1 52 PHE HD2 4.000 . 6.000 5.098 4.977 5.286 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
257 1 5 LEU MD1 1 52 PHE HD1 3.000 . 4.800 3.291 3.149 3.758 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
258 1 23 ALA MB 1 52 PHE HE2 4.000 . 6.500 3.936 3.826 4.149 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
259 1 23 ALA MB 1 52 PHE HZ 3.000 . 4.800 3.678 3.430 3.848 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
260 1 23 ALA HA 1 52 PHE HZ 4.000 . 5.000 3.948 3.666 4.189 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
261 1 26 ALA MB 1 52 PHE HD2 4.000 . 6.500 3.341 3.259 3.434 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
262 1 26 ALA MB 1 52 PHE HE2 3.000 . 4.800 2.065 2.051 2.108 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
263 1 26 ALA MB 1 52 PHE HZ 4.000 . 6.500 2.702 2.409 2.863 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
264 1 27 GLU H 1 52 PHE HE1 4.000 . 5.000 5.014 4.722 5.088 0.088 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
265 1 27 GLU H 1 52 PHE HE2 4.000 . 5.000 4.575 4.296 4.768 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
266 1 27 GLU H 1 52 PHE HZ 3.000 . 3.500 3.461 3.292 3.551 0.051 55 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
267 1 27 GLU HG2 1 52 PHE HE1 3.000 . 4.300 2.454 2.325 3.033 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
268 1 27 GLU HG3 1 52 PHE QE 3.000 . 6.300 3.351 2.494 3.585 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
269 1 27 GLU HG3 1 52 PHE HZ 3.000 . 4.300 2.335 2.316 2.347 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
270 1 27 GLU HA 1 52 PHE HZ 4.000 . 6.000 3.299 2.871 3.710 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
271 1 30 PHE HB3 1 52 PHE HD1 4.000 . 5.000 5.022 4.922 5.064 0.064 6 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
272 1 30 PHE HZ 1 52 PHE HD2 4.000 . 6.000 4.901 4.781 5.078 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
273 1 44 THR H 1 52 PHE HD1 4.000 . 5.000 4.114 4.015 4.360 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
274 1 45 TYR HB2 1 52 PHE QD 3.000 . 5.300 4.586 4.542 4.623 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
275 1 45 TYR HB3 1 52 PHE QD 4.000 . 7.000 5.792 5.755 5.823 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
276 1 45 TYR HB2 1 52 PHE HE1 3.000 . 3.300 3.583 3.550 3.606 0.306 52 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
277 1 45 TYR HB3 1 52 PHE QE 4.000 . 7.000 5.052 5.024 5.067 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
278 1 45 TYR HA 1 52 PHE HD1 4.000 . 5.000 3.806 3.731 3.860 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
279 1 45 TYR HA 1 52 PHE HD2 4.000 . 5.000 4.996 4.923 5.035 0.035 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
280 1 6 ILE MD 1 53 THR HA 4.000 . 6.500 4.129 3.650 4.567 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
281 1 6 ILE HB 1 53 THR HA 3.000 . 3.300 2.536 2.332 2.854 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
282 1 8 ASN HD21 1 53 THR MG 3.000 . 5.000 2.747 2.590 2.963 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
283 1 8 ASN HD22 1 53 THR MG 4.000 . 6.500 3.675 3.504 3.907 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
284 1 8 ASN HD21 1 55 THR MG 3.000 . 5.000 3.799 3.252 3.985 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
285 1 8 ASN HD22 1 55 THR MG 4.000 . 6.500 4.552 4.156 4.723 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
286 1 8 ASN HD21 1 55 THR H 4.000 . 6.000 6.033 6.004 6.059 0.059 25 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
287 1 1 MET HA 1 2 THR H 2.500 . 2.700 2.463 2.139 2.869 0.169 60 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
288 1 2 THR HA 1 3 TYR H 2.500 . 2.700 2.163 2.151 2.244 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
289 1 3 TYR HA 1 4 LYS H 2.500 . 2.700 2.406 2.265 2.582 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
290 1 4 LYS HA 1 5 LEU H 2.500 . 2.700 2.170 2.149 2.188 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
291 1 5 LEU HA 1 6 ILE H 2.500 . 2.700 2.277 2.258 2.308 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
292 1 6 ILE HA 1 7 LEU H 2.500 . 2.700 2.181 2.163 2.196 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
293 1 7 LEU HA 1 8 ASN H 2.500 . 2.700 2.144 2.120 2.168 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
294 1 8 ASN HA 1 9 GLY H 2.500 . 2.700 2.807 2.747 2.853 0.153 5 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
295 1 9 GLY HA3 1 10 LYS H 2.500 . 3.700 3.006 2.897 3.100 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
296 1 9 GLY HA2 1 10 LYS H 2.500 . 3.700 2.210 2.162 2.280 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
297 1 10 LYS HA 1 11 THR H 4.000 . 5.000 3.508 3.365 3.562 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
298 1 11 THR HA 1 12 LEU H 3.000 . 3.500 3.254 3.108 3.360 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
299 1 12 LEU HA 1 13 LYS H 2.500 . 2.700 2.227 2.142 2.321 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
300 1 13 LYS HA 1 14 GLY H 2.500 . 2.700 2.225 2.164 2.339 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
301 1 14 GLY HA3 1 15 GLU H 2.500 . 3.700 2.381 2.297 2.484 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
302 1 14 GLY HA2 1 15 GLU H 2.500 . 3.700 2.774 2.666 2.893 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
303 1 15 GLU HA 1 16 THR H 2.500 . 2.700 2.190 2.154 2.350 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
304 1 16 THR HA 1 17 THR H 3.000 . 3.500 2.341 2.252 2.684 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
305 1 17 THR HA 1 18 THR H 2.500 . 2.700 2.194 2.169 2.225 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
306 1 18 THR HA 1 19 GLU H 2.500 . 2.700 2.259 2.214 2.327 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
307 1 19 GLU HA 1 20 ALA H 2.500 . 2.700 2.157 2.144 2.253 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
308 1 20 ALA HA 1 21 VAL H 2.500 . 2.700 2.270 2.161 2.522 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
309 1 21 VAL H 1 22 ASP H . . 2.900 2.336 2.146 2.538 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
310 1 22 ASP HA 1 23 ALA H 2.500 . 2.700 2.464 2.175 2.683 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
311 1 23 ALA HA 1 24 ALA H 4.000 . 5.000 3.493 3.388 3.564 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
312 1 24 ALA HA 1 25 THR H 4.000 . 5.000 3.565 3.553 3.574 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
313 1 25 THR HA 1 26 ALA H 4.000 . 5.000 3.472 3.404 3.559 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
314 1 26 ALA HA 1 27 GLU H 4.000 . 5.000 3.518 3.491 3.544 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
315 1 27 GLU HA 1 28 LYS H 4.000 . 5.000 3.540 3.484 3.577 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
316 1 28 LYS HA 1 29 VAL H 4.000 . 5.000 3.526 3.456 3.560 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
317 1 32 GLN HA 1 33 TYR H 4.000 . 5.000 3.486 3.458 3.525 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
318 1 33 TYR HA 1 34 ALA H 3.000 . 3.500 3.554 3.549 3.560 0.060 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
319 1 34 ALA HA 1 35 ASN H 4.000 . 5.000 3.498 3.402 3.543 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
320 1 35 ASN HA 1 36 ASP H 4.000 . 5.000 3.528 3.499 3.562 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
321 1 36 ASP HA 1 37 ASN H 4.000 . 5.000 3.193 3.019 3.410 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
322 1 37 ASN HA 1 38 GLY H 3.000 . 3.500 3.483 3.248 3.550 0.050 5 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
323 1 38 GLY HA3 1 39 VAL H 3.000 . 4.500 3.488 3.333 3.570 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
324 1 38 GLY HA2 1 39 VAL H 3.000 . 4.500 2.871 2.529 3.206 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
325 1 39 VAL HA 1 40 ASP H 3.000 . 3.500 2.274 2.156 2.688 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
326 1 40 ASP HA 1 41 GLY H 2.500 . 2.700 2.162 2.140 2.229 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
327 1 41 GLY HA3 1 42 GLU H 2.500 . 3.700 2.241 2.150 2.431 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
328 1 41 GLY HA2 1 42 GLU H 3.000 . 4.500 3.448 3.274 3.547 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
329 1 42 GLU HA 1 43 TRP H 2.500 . 2.700 2.198 2.144 2.295 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
330 1 43 TRP HA 1 44 THR H 2.500 . 2.700 2.163 2.143 2.188 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
331 1 44 THR HA 1 45 TYR H 2.500 . 2.700 2.368 2.138 2.467 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
332 1 45 TYR HA 1 46 ASP H 2.500 . 2.700 2.174 2.159 2.185 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
333 1 46 ASP HA 1 47 ASP H 2.500 . 2.700 2.386 2.251 2.488 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
334 1 47 ASP HA 1 48 ALA H 4.000 . 6.000 3.283 3.218 3.402 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
335 1 48 ALA HA 1 49 THR H 4.000 . 5.000 3.457 3.375 3.553 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
336 1 49 THR HA 1 50 LYS H 3.000 . 3.500 3.094 3.038 3.169 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
337 1 50 LYS HA 1 51 THR H 3.000 . 3.500 2.533 2.478 2.635 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
338 1 51 THR HA 1 52 PHE H 2.500 . 2.700 2.205 2.190 2.244 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
339 1 52 PHE HA 1 53 THR H 2.500 . 2.700 2.414 2.383 2.459 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
340 1 53 THR HA 1 54 VAL H 2.500 . 2.700 2.188 2.142 2.253 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
341 1 54 VAL HA 1 55 THR H 2.500 . 2.700 2.283 2.261 2.314 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
342 1 55 THR HA 1 56 GLU H 2.500 . 2.700 2.169 2.149 2.192 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
343 1 2 THR H 1 3 TYR H 4.000 . 5.000 4.305 4.142 4.539 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
344 1 6 ILE H 1 7 LEU H 4.000 . 5.000 3.961 3.880 4.022 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
345 1 8 ASN H 1 9 GLY H 3.000 . 3.500 2.924 2.790 3.120 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
346 1 9 GLY H 1 10 LYS H 4.000 . 5.000 4.641 4.604 4.674 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
347 1 10 LYS H 1 11 THR H 2.500 . 2.900 2.685 2.446 2.967 0.067 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
348 1 11 THR H 1 12 LEU H 2.500 . 2.900 2.218 1.793 2.522 0.007 5 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
349 1 12 LEU H 1 13 LYS H 4.000 . 5.000 4.148 3.665 4.412 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
350 1 15 GLU H 1 16 THR H 4.000 . 5.000 4.079 3.883 4.319 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
351 1 16 THR H 1 17 THR H 4.000 . 5.000 4.406 4.289 4.459 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
352 1 18 THR H 1 19 GLU H 4.000 . 5.000 4.462 4.417 4.504 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
353 1 22 ASP H 1 23 ALA H 4.000 . 5.000 4.435 4.298 4.550 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
354 1 23 ALA H 1 24 ALA H 3.000 . 3.500 2.536 2.425 2.833 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
355 1 24 ALA H 1 25 THR H 2.500 . 2.900 2.885 2.652 2.960 0.060 6 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
356 1 25 THR H 1 26 ALA H 2.500 . 2.900 2.645 2.528 2.730 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
357 1 26 ALA H 1 27 GLU H 2.500 . 2.900 2.558 2.436 2.804 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
358 1 27 GLU H 1 28 LYS H 2.500 . 2.900 2.705 2.479 2.886 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
359 1 28 LYS H 1 29 VAL H 2.500 . 2.900 2.517 2.331 2.728 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
360 1 29 VAL H 1 30 PHE H 2.500 . 2.900 2.905 2.728 2.963 0.063 6 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
361 1 30 PHE H 1 31 LYS H 2.500 . 2.900 2.704 2.595 2.788 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
362 1 31 LYS H 1 32 GLN H 2.500 . 2.900 2.701 2.611 2.840 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
363 1 32 GLN H 1 33 TYR H 2.500 . 2.900 2.578 2.462 2.693 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
364 1 33 TYR H 1 34 ALA H 2.500 . 2.900 2.713 2.595 2.855 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
365 1 34 ALA H 1 35 ASN H 2.500 . 2.900 2.814 2.681 2.899 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
366 1 35 ASN H 1 36 ASP H 2.500 . 2.900 2.708 2.542 2.898 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
367 1 36 ASP H 1 37 ASN H 2.500 . 2.900 2.756 2.577 2.908 0.008 29 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
368 1 37 ASN H 1 38 GLY H 2.500 . 2.900 1.876 1.742 2.299 0.058 11 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
369 1 38 GLY H 1 39 VAL H 2.500 . 2.900 2.240 1.799 2.712 0.001 55 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
370 1 42 GLU H 1 43 TRP H 4.000 . 5.000 4.513 4.377 4.610 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
371 1 44 THR H 1 45 TYR H 4.000 . 5.000 4.497 4.405 4.523 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
372 1 45 TYR H 1 46 ASP H 4.000 . 5.000 4.271 4.210 4.460 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
373 1 47 ASP H 1 48 ALA H 3.000 . 3.500 2.662 2.404 2.783 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
374 1 48 ALA H 1 49 THR H 3.000 . 3.500 2.434 2.267 2.795 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
375 1 49 THR H 1 50 LYS H 2.500 . 2.700 1.961 1.815 2.286 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
376 1 50 LYS H 1 51 THR H 2.500 . 2.900 2.959 2.922 2.992 0.092 37 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
377 1 51 THR H 1 52 PHE H 4.000 . 5.000 4.127 4.070 4.192 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
378 1 55 THR H 1 56 GLU H 4.000 . 5.000 4.124 4.024 4.237 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
379 1 2 THR HA 1 3 TYR HB2 4.000 . 5.000 4.894 4.837 4.948 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
380 1 4 LYS HA 1 5 LEU HB2 4.000 . 6.000 4.781 4.726 4.936 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
381 1 29 VAL HB 1 30 PHE HA 4.000 . 5.000 4.452 4.309 4.576 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
382 1 51 THR HA 1 52 PHE HB2 4.000 . 5.000 4.276 4.246 4.345 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
383 1 52 PHE HA 1 53 THR HB 4.000 . 5.000 4.410 4.317 4.521 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
384 1 48 ALA MB 1 49 THR HA 4.000 . 6.500 4.219 4.015 4.324 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
385 1 34 ALA HA 1 39 VAL HB 3.000 . 3.300 3.327 3.290 3.380 0.080 25 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
386 1 9 GLY HA3 1 11 THR H 4.000 . 6.000 3.707 3.048 4.229 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
387 1 9 GLY HA2 1 11 THR H 4.000 . 6.000 4.156 3.525 4.745 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
388 1 20 ALA HA 1 22 ASP H 4.000 . 5.000 3.931 3.597 4.661 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
389 1 28 LYS HA 1 30 PHE H 4.000 . 5.000 4.841 4.480 5.012 0.012 55 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
390 1 35 ASN HA 1 37 ASN H 3.000 . 3.500 3.374 3.247 3.523 0.023 13 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
391 1 46 ASP HA 1 48 ALA H 4.000 . 5.000 3.035 2.944 3.164 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
392 1 48 ALA HA 1 50 LYS H 4.000 . 5.000 4.461 4.305 4.571 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
393 1 23 ALA HA 1 26 ALA H 3.000 . 3.500 3.383 3.164 3.535 0.035 22 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
394 1 24 ALA HA 1 27 GLU H 3.000 . 3.500 3.527 3.439 3.607 0.107 6 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
395 1 26 ALA HA 1 29 VAL H 3.000 . 3.500 3.449 3.268 3.551 0.051 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
396 1 28 LYS HA 1 31 LYS H 3.000 . 3.500 3.524 3.432 3.574 0.074 10 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
397 1 30 PHE HA 1 33 TYR H 4.000 . 5.000 3.246 3.115 3.464 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
398 1 31 LYS HA 1 34 ALA H 3.000 . 3.500 3.522 3.421 3.556 0.056 17 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
399 1 32 GLN HA 1 35 ASN H 4.000 . 5.000 3.773 3.571 3.916 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
400 1 33 TYR HA 1 36 ASP H 3.000 . 3.500 3.432 3.246 3.533 0.033 4 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
401 1 34 ALA HA 1 37 ASN H 4.000 . 5.000 3.831 3.475 4.169 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
402 1 35 ASN HA 1 38 GLY H 3.000 . 3.500 3.133 2.758 3.483 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
403 1 10 LYS H 1 12 LEU H 3.000 . 3.500 3.604 3.549 3.656 0.156 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
404 1 24 ALA H 1 26 ALA H 4.000 . 5.000 3.794 3.508 4.203 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
405 1 27 GLU H 1 29 VAL H 4.000 . 5.000 4.054 3.753 4.462 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
406 1 28 LYS H 1 30 PHE H 4.000 . 5.000 4.486 4.070 4.767 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
407 1 29 VAL H 1 31 LYS H 4.000 . 5.000 4.014 3.709 4.457 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
408 1 31 LYS H 1 33 TYR H 4.000 . 5.000 4.049 3.875 4.233 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
409 1 32 GLN H 1 34 ALA H 4.000 . 5.000 4.562 4.338 4.834 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
410 1 34 ALA H 1 36 ASP H 4.000 . 5.000 4.419 4.197 4.733 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
411 1 36 ASP H 1 38 GLY H 4.000 . 5.000 4.253 4.032 4.620 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
412 1 37 ASN H 1 39 VAL H 4.000 . 5.000 3.692 3.059 4.235 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
413 1 47 ASP H 1 49 THR H 4.000 . 5.000 4.528 4.226 4.825 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
414 1 48 ALA H 1 50 LYS H 4.000 . 5.000 3.656 3.456 3.791 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
415 1 49 THR H 1 51 THR H 4.000 . 5.000 3.531 3.325 3.743 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
416 1 9 GLY H 1 12 LEU H 4.000 . 5.000 4.414 4.153 4.591 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
417 1 27 GLU H 1 30 PHE H 4.000 . 5.000 4.976 4.827 5.046 0.046 57 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
418 1 46 ASP H 1 51 THR H 4.000 . 5.000 3.475 3.337 3.562 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
419 1 23 ALA HA 1 27 GLU H 4.000 . 5.000 4.272 4.006 4.561 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
420 1 32 GLN HA 1 36 ASP H 4.000 . 5.000 4.904 4.625 5.035 0.035 10 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
421 1 35 ASN HA 1 39 VAL H 4.000 . 5.000 3.613 2.940 4.308 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
422 1 34 ALA HA 1 39 VAL H 4.000 . 5.000 4.067 3.706 4.411 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
423 1 46 ASP HA 1 51 THR H 4.000 . 5.000 4.712 4.573 4.832 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
424 1 23 ALA HA 1 26 ALA MB 3.000 . 4.800 2.316 2.196 2.504 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
425 1 24 ALA HA 1 27 GLU HB2 3.000 . 3.300 3.187 2.932 3.348 0.048 43 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
426 1 24 ALA HA 1 27 GLU HB3 4.000 . 5.000 4.766 4.419 5.003 0.003 10 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
427 1 26 ALA HA 1 29 VAL HB 3.000 . 3.300 2.368 2.314 2.573 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
428 1 28 LYS HA 1 31 LYS HB2 3.000 . 3.300 3.206 2.825 3.351 0.051 42 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
429 1 28 LYS HA 1 31 LYS HB3 3.000 . 3.300 2.372 2.322 2.591 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
430 1 29 VAL HA 1 32 GLN HB3 3.000 . 3.300 3.275 3.054 3.345 0.045 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
431 1 29 VAL HA 1 32 GLN HB2 4.000 . 5.000 3.515 3.084 4.256 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
432 1 30 PHE HA 1 33 TYR HB3 3.000 . 3.300 2.916 2.603 3.188 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
433 1 30 PHE HA 1 33 TYR HB2 3.000 . 3.300 3.344 3.310 3.367 0.067 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
434 1 31 LYS HA 1 34 ALA MB 3.000 . 4.800 2.723 2.508 2.921 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
435 1 32 GLN HA 1 35 ASN HB3 3.000 . 3.300 3.163 2.505 3.320 0.020 8 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
436 1 32 GLN HA 1 35 ASN HB2 3.000 . 3.300 3.182 2.687 3.339 0.039 4 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
437 1 33 TYR HA 1 36 ASP HB2 3.000 . 3.300 3.248 2.816 3.334 0.034 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
438 1 33 TYR HA 1 36 ASP HB3 4.000 . 5.000 4.892 4.454 5.010 0.010 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
439 1 34 ALA HA 1 37 ASN HB2 3.000 . 3.300 2.805 2.345 3.264 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
440 1 34 ALA HA 1 37 ASN HB3 4.000 . 5.000 4.398 3.829 4.946 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
441 1 8 ASN HA 1 13 LYS HA 3.000 . 3.500 3.455 3.317 3.540 0.040 8 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
442 1 46 ASP HB3 1 51 THR HB 3.000 . 3.300 2.335 2.312 2.362 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
443 1 46 ASP HB2 1 51 THR HB 4.000 . 5.000 3.459 2.963 3.624 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
444 1 46 ASP HB3 1 49 THR H 4.000 . 5.000 3.537 3.403 3.684 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
445 1 46 ASP HB2 1 49 THR H 4.000 . 5.000 4.978 4.848 5.053 0.053 19 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
446 1 48 ALA MB 1 50 LYS H 4.000 . 6.500 4.436 4.155 4.585 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
447 1 6 ILE HB 1 7 LEU H 4.000 . 5.000 4.434 4.346 4.535 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
448 1 34 ALA MB 1 39 VAL H 4.000 . 6.500 3.241 2.790 3.821 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
449 1 37 ASN HB3 1 39 VAL H 4.000 . 5.000 4.317 3.228 5.030 0.030 12 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
450 1 23 ALA MB 1 26 ALA MB 4.000 . 8.000 3.495 3.371 3.676 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
451 1 22 ASP HB2 1 24 ALA H 4.000 . 5.000 2.872 2.315 3.842 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
452 1 20 ALA MB 1 22 ASP H 3.000 . 5.000 2.660 2.153 3.361 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
453 1 2 THR MG 1 3 TYR H 2.500 . 4.200 2.712 2.315 3.024 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
454 1 11 THR MG 1 12 LEU H 4.000 . 6.500 4.317 3.730 4.405 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
455 1 10 LYS QB 1 11 THR MG 4.000 . 7.500 3.094 2.211 3.878 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
456 1 16 THR MG 1 17 THR HA 4.000 . 7.500 4.053 3.314 4.303 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
457 1 16 THR MG 1 17 THR H 3.000 . 5.000 3.563 2.315 3.918 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
458 1 15 GLU HA 1 16 THR MG 4.000 . 6.500 3.739 3.414 4.173 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
459 1 17 THR HA 1 18 THR MG 4.000 . 7.500 4.255 4.098 4.288 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
460 1 18 THR MG 1 19 GLU H 3.000 . 5.000 3.262 3.089 3.384 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
461 1 18 THR MG 1 20 ALA H 4.000 . 6.500 3.936 3.052 4.159 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
462 1 18 THR MG 1 19 GLU HA 4.000 . 7.500 3.834 3.725 3.941 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
463 1 25 THR MG 1 26 ALA H 4.000 . 6.500 2.171 1.796 2.465 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
464 1 22 ASP H 1 25 THR MG 4.000 . 6.500 2.175 1.940 2.475 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
465 1 21 VAL H 1 25 THR MG 4.000 . 6.500 2.301 1.886 2.881 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
466 1 49 THR MG 1 50 LYS H 4.000 . 6.500 4.276 3.931 4.420 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
467 1 48 ALA MB 1 49 THR MG 3.000 . 6.300 2.496 2.119 2.953 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
468 1 48 ALA H 1 49 THR MG 4.000 . 7.500 4.410 3.764 4.900 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
469 1 46 ASP HB3 1 49 THR MG 4.000 . 7.500 4.926 4.002 5.522 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
470 1 51 THR MG 1 52 PHE H 2.500 . 4.200 3.050 2.928 3.206 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
471 1 46 ASP HB3 1 51 THR MG 4.000 . 6.500 3.487 3.005 4.038 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
472 1 53 THR MG 1 54 VAL H 2.500 . 4.200 2.283 1.980 2.626 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
473 1 53 THR MG 1 55 THR H 4.000 . 6.500 4.700 4.556 4.839 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
474 1 53 THR HA 1 54 VAL HB 4.000 . 5.000 4.398 4.325 4.472 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
475 1 53 THR HA 1 54 VAL MG1 4.000 . 6.500 3.709 3.587 3.847 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
476 1 55 THR MG 1 56 GLU H 3.000 . 5.000 2.825 2.575 3.138 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
477 1 54 VAL MG1 1 55 THR H 2.500 . 4.200 3.508 3.455 3.569 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
478 1 54 VAL MG2 1 55 THR H 2.500 . 4.200 2.063 2.034 2.096 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
479 1 54 VAL MG2 1 56 GLU QG 4.000 . 8.500 4.611 4.315 4.876 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
480 1 54 VAL MG1 1 56 GLU QG 4.000 . 7.500 5.291 5.196 5.377 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
481 1 38 GLY H 1 39 VAL MG2 4.000 . 6.500 3.636 3.120 4.257 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
482 1 39 VAL MG1 1 40 ASP HA 4.000 . 6.500 3.735 3.427 4.221 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
483 1 34 ALA HA 1 39 VAL MG1 4.000 . 6.500 4.599 4.289 4.774 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
484 1 26 ALA HA 1 29 VAL MG2 3.000 . 4.800 3.036 2.375 3.325 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
485 1 26 ALA HA 1 29 VAL MG1 3.000 . 4.800 3.721 3.544 4.001 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
486 1 28 LYS HA 1 29 VAL MG2 4.000 . 6.500 5.094 4.926 5.225 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
487 1 29 VAL MG1 1 30 PHE HA 4.000 . 6.500 3.118 2.950 3.324 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
488 1 29 VAL MG1 1 33 TYR QB 4.000 . 7.500 4.153 3.943 4.315 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
489 1 21 VAL MG1 1 22 ASP H 3.000 . 4.800 2.185 1.689 2.865 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
490 1 6 ILE MG 1 8 ASN H 4.000 . 6.500 4.192 3.721 4.591 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
491 1 6 ILE MG 1 8 ASN QB 4.000 . 7.500 3.871 3.352 4.344 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
492 1 33 TYR HA 1 37 ASN HD21 4.000 . 5.000 4.540 3.988 5.002 0.002 53 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
493 1 34 ALA HA 1 37 ASN HD21 4.000 . 6.000 3.000 1.816 3.888 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
494 1 36 ASP HB3 1 37 ASN HD21 4.000 . 5.000 3.896 2.692 4.801 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
495 1 6 ILE MG 1 8 ASN HD21 4.000 . 6.500 3.201 2.533 4.002 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
496 1 6 ILE MG 1 8 ASN HD22 4.000 . 6.500 3.224 2.760 3.917 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
497 1 29 VAL MG1 1 30 PHE HD1 4.000 . 6.500 4.376 4.198 4.550 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
498 1 29 VAL MG1 1 30 PHE HE1 4.000 . 7.500 4.950 4.737 5.164 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
499 1 29 VAL MG1 1 30 PHE HE2 4.000 . 7.500 4.905 4.715 5.080 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
500 1 27 GLU HA 1 30 PHE HD2 4.000 . 5.000 4.240 3.942 4.469 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
501 1 33 TYR HD1 1 37 ASN HD21 4.000 . 5.000 3.550 2.624 4.540 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
502 1 33 TYR HD1 1 37 ASN HD22 4.000 . 5.000 4.006 3.054 4.855 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
503 1 33 TYR HD1 1 34 ALA HA 2.500 . 2.700 2.521 2.478 2.620 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
504 1 33 TYR HD1 1 34 ALA H 2.500 . 2.700 2.628 2.604 2.652 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
505 1 33 TYR HE1 1 34 ALA H 4.000 . 5.000 5.029 4.984 5.051 0.051 40 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
506 1 33 TYR HD1 1 34 ALA MB 4.000 . 6.500 3.352 3.207 3.448 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
507 1 42 GLU HA 1 43 TRP HD1 3.000 . 3.300 3.228 3.060 3.361 0.061 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
508 1 45 TYR HE1 1 47 ASP HA 3.000 . 3.300 2.461 2.341 2.746 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
509 1 45 TYR HE1 1 50 LYS HA 4.000 . 5.000 3.328 3.015 3.573 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
510 1 45 TYR HE1 1 50 LYS H 4.000 . 5.000 4.520 4.263 4.738 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
511 1 45 TYR HE1 1 47 ASP HB2 3.000 . 3.300 3.189 2.735 3.328 0.028 20 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
512 1 45 TYR HE1 1 47 ASP HB3 4.000 . 5.000 4.630 4.235 4.830 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
513 1 41 GLY H 1 43 TRP HE1 2.500 . 2.700 2.366 2.103 2.622 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
514 1 41 GLY H 1 43 TRP HD1 4.000 . 5.000 3.125 2.763 3.477 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
515 1 42 GLU HB2 1 43 TRP HD1 4.000 . 5.000 5.155 5.117 5.200 0.200 22 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
516 1 52 PHE HD1 1 53 THR H 3.000 . 3.500 2.399 2.292 2.547 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
517 1 51 THR MG 1 52 PHE HD2 4.000 . 7.500 5.833 5.679 6.102 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
518 1 51 THR HA 1 52 PHE HD2 4.000 . 5.000 4.857 4.674 5.006 0.006 16 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
519 1 52 PHE HA 1 52 PHE HD1 3.000 . 3.300 3.100 3.042 3.153 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
520 1 52 PHE HA 1 52 PHE HD2 3.000 . 3.300 3.440 3.411 3.475 0.175 37 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
521 1 5 LEU HG 1 7 LEU HA 4.000 . 5.000 3.932 3.795 4.282 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
522 1 5 LEU MD1 1 7 LEU HA 3.000 . 4.800 3.729 3.056 3.835 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
523 1 5 LEU MD1 1 7 LEU HG 4.000 . 6.500 3.280 2.593 3.468 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
524 1 5 LEU MD2 1 7 LEU HG 4.000 . 6.500 2.314 2.271 2.424 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
525 1 5 LEU MD2 1 7 LEU MD1 3.000 . 6.300 2.601 2.361 2.832 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
526 1 5 LEU MD2 1 7 LEU MD2 3.000 . 6.300 2.473 2.225 2.767 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
527 1 7 LEU MD2 1 8 ASN H 4.000 . 6.500 3.788 3.473 4.096 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
528 1 7 LEU QD 1 8 ASN HA 4.000 . 8.400 5.269 5.103 5.386 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
529 1 5 LEU HB2 1 7 LEU QD 4.000 . 7.400 4.923 4.742 5.138 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
530 1 12 LEU MD1 1 13 LYS H 3.000 . 4.800 3.406 2.035 3.934 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
531 1 12 LEU MD2 1 13 LYS H 4.000 . 7.500 4.036 3.240 5.143 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
532 1 8 ASN HA 1 13 LYS QG 2.500 . 3.700 2.627 2.261 3.348 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
533 1 8 ASN HA 1 13 LYS QD 4.000 . 6.000 3.978 2.683 5.351 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
534 1 8 ASN HA 1 13 LYS HB3 4.000 . 6.000 3.704 3.358 4.145 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
535 1 8 ASN HA 1 13 LYS HB2 4.000 . 5.000 5.042 4.989 5.108 0.108 12 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
536 1 24 ALA HA 1 27 GLU HG3 3.000 . 4.500 3.558 3.148 4.504 0.004 42 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
537 1 2 THR H 1 2 THR HA 3.000 . 3.500 2.979 2.938 3.000 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
538 1 3 TYR H 1 3 TYR HA 3.000 . 3.500 2.983 2.969 3.002 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
539 1 5 LEU H 1 5 LEU HA 3.000 . 3.500 2.940 2.916 2.958 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
540 1 6 ILE H 1 6 ILE HA 2.500 . 2.700 2.954 2.941 2.962 0.262 45 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
541 1 7 LEU H 1 7 LEU HA 3.000 . 3.500 2.915 2.910 2.918 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
542 1 8 ASN H 1 8 ASN HA 3.000 . 3.500 2.984 2.980 2.995 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
543 1 12 LEU H 1 12 LEU HA 3.000 . 3.500 2.953 2.911 2.988 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
544 1 13 LYS H 1 13 LYS HA 3.000 . 3.500 2.974 2.951 2.998 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
545 1 15 GLU H 1 15 GLU HA 3.000 . 3.500 2.860 2.846 2.872 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
546 1 16 THR H 1 16 THR HA 3.000 . 3.500 2.956 2.877 2.979 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
547 1 17 THR H 1 17 THR HA 3.000 . 3.500 2.990 2.979 3.003 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
548 1 18 THR H 1 18 THR HA 3.000 . 3.500 2.993 2.978 3.001 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
549 1 20 ALA H 1 20 ALA HA 3.000 . 3.500 2.979 2.976 2.999 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
550 1 21 VAL H 1 21 VAL HA 3.000 . 3.500 2.940 2.890 2.977 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
551 1 22 ASP H 1 22 ASP HA 3.000 . 3.500 2.965 2.888 2.998 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
552 1 23 ALA H 1 23 ALA HA 3.000 . 3.500 2.893 2.768 2.941 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
553 1 24 ALA H 1 24 ALA HA 3.000 . 3.500 2.847 2.776 2.905 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
554 1 25 THR H 1 25 THR HA 3.000 . 3.500 2.851 2.819 2.887 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
555 1 26 ALA H 1 26 ALA HA 3.000 . 3.500 2.886 2.806 2.918 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
556 1 27 GLU H 1 27 GLU HA 2.500 . 2.900 2.853 2.803 2.883 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
557 1 28 LYS H 1 28 LYS HA 3.000 . 3.500 2.910 2.854 2.953 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
558 1 29 VAL H 1 29 VAL HA 3.000 . 3.500 2.840 2.762 2.891 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
559 1 30 PHE H 1 30 PHE HA 3.000 . 3.500 2.849 2.812 2.886 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
560 1 31 LYS H 1 31 LYS HA 3.000 . 3.500 2.838 2.789 2.872 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
561 1 32 GLN H 1 32 GLN HA 3.000 . 3.500 2.862 2.822 2.894 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
562 1 33 TYR H 1 33 TYR HA 2.500 . 2.900 2.904 2.858 2.924 0.024 12 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
563 1 34 ALA H 1 34 ALA HA 2.500 . 2.900 2.786 2.761 2.825 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
564 1 35 ASN H 1 35 ASN HA 3.000 . 3.500 2.844 2.800 2.907 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
565 1 36 ASP H 1 36 ASP HA 2.500 . 2.900 2.886 2.785 2.936 0.036 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
566 1 37 ASN H 1 37 ASN HA 3.000 . 3.500 2.988 2.975 2.999 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
567 1 39 VAL H 1 39 VAL HA 3.000 . 3.500 2.976 2.940 3.000 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
568 1 40 ASP H 1 40 ASP HA 3.000 . 3.500 2.973 2.918 2.999 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
569 1 42 GLU H 1 42 GLU HA 3.000 . 3.500 2.982 2.963 2.999 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
570 1 43 TRP H 1 43 TRP HA 3.000 . 3.500 2.998 2.994 3.001 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
571 1 44 THR H 1 44 THR HA 3.000 . 3.500 2.999 2.992 3.003 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
572 1 46 ASP H 1 46 ASP HA 3.000 . 3.500 2.992 2.982 2.999 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
573 1 47 ASP H 1 47 ASP HA 3.000 . 3.500 2.882 2.843 2.933 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
574 1 50 LYS H 1 50 LYS HA 2.500 . 2.900 2.347 2.340 2.357 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
575 1 51 THR H 1 51 THR HA 3.000 . 3.500 2.984 2.971 3.001 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
576 1 53 THR H 1 53 THR HA 3.000 . 3.500 2.925 2.920 2.936 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
577 1 54 VAL H 1 54 VAL HA 3.000 . 3.500 2.983 2.955 2.997 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
578 1 55 THR H 1 55 THR HA 3.000 . 3.500 2.976 2.969 2.989 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
579 1 56 GLU H 1 56 GLU HA 3.000 . 3.500 2.861 2.841 2.913 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
580 1 9 GLY H 1 9 GLY HA3 2.500 . 3.300 2.354 2.347 2.366 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
581 1 9 GLY H 1 9 GLY HA2 3.000 . 4.100 2.818 2.776 2.858 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
582 1 14 GLY H 1 14 GLY HA3 3.000 . 4.100 2.760 2.678 2.826 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
583 1 14 GLY H 1 14 GLY HA2 3.000 . 4.100 2.918 2.872 2.962 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
584 1 38 GLY H 1 38 GLY HA3 3.000 . 4.100 2.974 2.901 3.000 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
585 1 38 GLY H 1 38 GLY HA2 2.500 . 3.300 2.444 2.357 2.554 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
586 1 41 GLY H 1 41 GLY HA3 2.500 . 3.300 2.827 2.744 2.918 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
587 1 41 GLY H 1 41 GLY HA2 3.000 . 4.100 2.863 2.763 2.929 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
588 1 3 TYR HA 1 3 TYR HB3 2.500 . 2.700 2.360 2.345 2.387 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
589 1 4 LYS HA 1 4 LYS HB2 2.500 . 2.700 2.645 2.511 2.686 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
590 1 5 LEU HA 1 5 LEU HB2 2.500 . 2.700 2.407 2.352 2.421 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
591 1 6 ILE HA 1 6 ILE HB 3.000 . 3.300 3.018 3.001 3.029 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
592 1 7 LEU HA 1 7 LEU HB3 2.500 . 2.700 2.542 2.471 2.602 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
593 1 12 LEU HA 1 12 LEU HB2 2.500 . 2.700 2.564 2.403 2.603 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
594 1 13 LYS HA 1 13 LYS HB3 2.500 . 2.700 2.486 2.352 2.608 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
595 1 16 THR HA 1 16 THR HB 2.500 . 2.700 2.476 2.382 2.614 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
596 1 17 THR HA 1 17 THR HB 2.500 . 2.700 2.386 2.376 2.473 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
597 1 18 THR HA 1 18 THR HB 2.500 . 2.700 2.638 2.591 2.643 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
598 1 21 VAL HA 1 21 VAL HB 2.500 . 2.700 2.475 2.349 2.595 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
599 1 22 ASP HA 1 22 ASP HB3 2.500 . 2.700 2.480 2.326 2.665 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
600 1 22 ASP HA 1 22 ASP HB2 2.500 . 2.700 2.465 2.311 2.637 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
601 1 27 GLU HA 1 27 GLU HB3 2.500 . 2.700 2.588 2.464 2.678 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
602 1 30 PHE HA 1 30 PHE HB3 2.500 . 2.700 2.654 2.621 2.685 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
603 1 31 LYS HA 1 31 LYS HB3 3.000 . 3.300 3.027 3.018 3.032 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
604 1 31 LYS HA 1 31 LYS HB2 2.500 . 2.700 2.479 2.412 2.548 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
605 1 32 GLN HA 1 32 GLN HB2 2.500 . 2.700 2.498 2.341 2.581 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
606 1 36 ASP HA 1 36 ASP HB3 2.500 . 2.700 2.602 2.450 2.736 0.036 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
607 1 37 ASN HA 1 37 ASN HB3 2.500 . 2.700 2.539 2.403 2.666 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
608 1 40 ASP HA 1 40 ASP HB3 2.500 . 2.700 2.531 2.318 2.713 0.013 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
609 1 42 GLU HA 1 42 GLU HB3 2.500 . 2.700 2.424 2.323 2.600 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
610 1 43 TRP HA 1 43 TRP HB3 2.500 . 2.700 2.600 2.583 2.611 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
611 1 44 THR HA 1 44 THR HB 2.500 . 2.700 2.594 2.341 2.629 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
612 1 45 TYR HA 1 45 TYR HB2 2.500 . 2.700 2.596 2.586 2.604 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
613 1 46 ASP HA 1 46 ASP HB2 2.500 . 2.700 2.605 2.578 2.663 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
614 1 47 ASP HA 1 47 ASP HB2 2.500 . 2.700 2.470 2.312 2.597 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
615 1 50 LYS HA 1 50 LYS HB3 2.500 . 2.700 2.440 2.376 2.608 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
616 1 52 PHE HA 1 52 PHE QB 2.500 . 3.700 2.528 2.525 2.533 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
617 1 54 VAL HA 1 54 VAL HB 2.500 . 2.700 2.527 2.502 2.554 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
618 1 2 THR H 1 2 THR HB 2.500 . 2.900 2.856 2.573 2.955 0.055 50 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
619 1 3 TYR H 1 3 TYR HB3 4.000 . 5.000 3.735 3.710 3.856 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
620 1 3 TYR H 1 3 TYR HB2 3.000 . 3.500 2.761 2.693 2.885 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
621 1 4 LYS H 1 4 LYS HB3 2.500 . 2.900 2.844 2.680 2.923 0.023 60 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
622 1 4 LYS H 1 4 LYS HB2 4.000 . 5.000 2.643 2.495 3.003 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
623 1 5 LEU H 1 5 LEU HB3 2.500 . 2.900 2.348 2.245 2.371 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
624 1 5 LEU H 1 5 LEU HB2 4.000 . 5.000 2.893 2.799 3.070 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
625 1 6 ILE H 1 6 ILE HB 3.000 . 3.500 2.691 2.515 2.862 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
626 1 7 LEU H 1 7 LEU HB2 2.500 . 2.900 2.354 2.268 2.478 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
627 1 7 LEU H 1 7 LEU HB3 4.000 . 5.000 3.603 3.568 3.641 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
628 1 8 ASN H 1 8 ASN QB 3.000 . 4.100 2.233 2.208 2.277 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
629 1 10 LYS H 1 10 LYS QB 3.000 . 4.100 2.278 2.061 2.942 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
630 1 11 THR H 1 11 THR HB 3.000 . 3.500 3.585 3.526 3.675 0.175 28 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
631 1 12 LEU H 1 12 LEU HB3 3.000 . 3.500 3.058 2.800 3.192 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
632 1 12 LEU H 1 12 LEU HB2 3.000 . 3.500 3.229 3.107 3.516 0.016 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
633 1 13 LYS H 1 13 LYS HB3 4.000 . 5.000 3.823 3.624 3.950 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
634 1 13 LYS H 1 13 LYS HB2 2.500 . 2.900 2.704 2.360 2.908 0.008 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
635 1 15 GLU H 1 15 GLU QB 3.000 . 4.100 3.362 2.922 3.441 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
636 1 16 THR H 1 16 THR HB 3.000 . 3.500 3.444 3.201 3.560 0.060 10 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
637 1 17 THR H 1 17 THR HB 4.000 . 5.000 3.775 3.730 3.943 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
638 1 18 THR H 1 18 THR HB 4.000 . 5.000 2.973 2.874 3.082 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
639 1 20 ALA H 1 20 ALA MB 3.000 . 4.600 2.529 2.251 2.584 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
640 1 21 VAL H 1 21 VAL HB 3.000 . 3.500 2.730 2.386 3.100 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
641 1 22 ASP H 1 22 ASP HB2 4.000 . 5.000 3.908 3.685 4.096 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
642 1 22 ASP H 1 22 ASP HB3 3.000 . 3.500 3.297 2.830 3.534 0.034 7 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
643 1 23 ALA H 1 23 ALA MB 3.000 . 4.600 2.137 2.077 2.255 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
644 1 24 ALA H 1 24 ALA MB 3.000 . 4.600 2.137 2.041 2.271 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
645 1 25 THR H 1 25 THR HB 3.000 . 3.500 2.488 2.270 2.967 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
646 1 26 ALA H 1 26 ALA MB 3.000 . 4.600 2.266 2.202 2.286 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
647 1 27 GLU H 1 27 GLU HB2 2.500 . 2.900 2.323 2.195 2.543 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
648 1 27 GLU H 1 27 GLU HB3 3.000 . 3.500 3.567 3.517 3.607 0.107 6 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
649 1 28 LYS H 1 28 LYS QB 3.000 . 4.100 2.508 2.059 2.956 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
650 1 29 VAL H 1 29 VAL HB 2.500 . 2.900 2.415 2.292 2.546 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
651 1 30 PHE H 1 30 PHE HB3 4.000 . 5.000 3.560 3.532 3.591 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
652 1 30 PHE H 1 30 PHE HB2 2.500 . 2.900 2.260 2.216 2.314 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
653 1 31 LYS H 1 31 LYS HB2 2.500 . 2.900 2.522 2.375 2.686 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
654 1 31 LYS H 1 31 LYS HB3 3.000 . 3.500 2.598 2.433 2.759 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
655 1 32 GLN H 1 32 GLN HB3 2.500 . 2.900 2.595 2.290 2.744 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
656 1 32 GLN H 1 32 GLN HB2 4.000 . 5.000 2.523 2.363 2.865 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
657 1 33 TYR H 1 33 TYR QB 3.000 . 4.100 2.284 2.266 2.305 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
658 1 34 ALA H 1 34 ALA MB 2.500 . 4.000 2.108 2.047 2.257 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
659 1 35 ASN H 1 35 ASN QB 3.000 . 4.100 2.251 2.148 2.290 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
660 1 36 ASP H 1 36 ASP HB2 2.500 . 2.900 2.305 2.139 2.561 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
661 1 36 ASP H 1 36 ASP HB3 4.000 . 5.000 3.565 3.457 3.648 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
662 1 37 ASN H 1 37 ASN HB3 4.000 . 5.000 3.777 3.569 3.925 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
663 1 37 ASN H 1 37 ASN HB2 2.500 . 2.900 2.625 2.346 2.891 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
664 1 39 VAL H 1 39 VAL HB 2.500 . 2.900 2.660 2.371 2.915 0.015 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
665 1 40 ASP H 1 40 ASP HB2 2.500 . 2.900 2.757 2.364 2.924 0.024 17 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
666 1 40 ASP H 1 40 ASP HB3 4.000 . 5.000 3.821 3.632 3.951 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
667 1 42 GLU H 1 42 GLU HB3 4.000 . 5.000 3.701 3.585 3.842 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
668 1 42 GLU H 1 42 GLU HB2 2.500 . 2.900 2.607 2.288 2.911 0.011 49 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
669 1 43 TRP H 1 43 TRP HB3 4.000 . 5.000 3.672 3.629 3.706 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
670 1 43 TRP H 1 43 TRP HB2 2.500 . 2.900 2.463 2.382 2.531 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
671 1 44 THR H 1 44 THR HB 4.000 . 5.000 3.739 3.693 3.866 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
672 1 45 TYR H 1 45 TYR HB2 4.000 . 5.000 2.991 2.675 3.072 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
673 1 45 TYR H 1 45 TYR HB3 2.500 . 2.900 2.889 2.698 2.945 0.045 36 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
674 1 46 ASP H 1 46 ASP HB3 3.000 . 3.500 2.797 2.740 2.914 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
675 1 46 ASP H 1 46 ASP HB2 3.000 . 3.500 2.703 2.598 2.805 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
676 1 47 ASP H 1 47 ASP HB3 3.000 . 3.500 2.535 2.205 2.799 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
677 1 47 ASP H 1 47 ASP HB2 3.000 . 3.500 2.606 2.343 3.087 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
678 1 48 ALA H 1 48 ALA MB 3.000 . 4.600 2.192 2.040 2.314 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
679 1 50 LYS H 1 50 LYS HB3 4.000 . 5.000 4.052 3.983 4.112 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
680 1 50 LYS H 1 50 LYS HB2 4.000 . 5.000 3.599 3.358 3.720 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
681 1 51 THR H 1 51 THR HB 2.500 . 2.900 2.741 2.645 2.985 0.085 43 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
682 1 52 PHE H 1 52 PHE QB 2.500 . 3.500 2.100 2.085 2.125 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
683 1 53 THR H 1 53 THR HB 2.500 . 2.900 2.983 2.955 3.005 0.105 14 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
684 1 54 VAL H 1 54 VAL HB 3.000 . 3.500 3.168 3.080 3.304 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
685 1 55 THR H 1 55 THR HB 2.500 . 2.900 2.895 2.822 2.985 0.085 49 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
686 1 56 GLU H 1 56 GLU QB 3.000 . 4.100 2.097 2.076 2.171 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
687 1 21 VAL H 1 21 VAL QG 3.000 . 5.200 1.966 1.745 2.354 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
688 1 21 VAL HA 1 21 VAL QG 3.000 . 3.900 2.279 2.196 2.412 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
689 1 29 VAL HA 1 29 VAL MG2 2.500 . 4.000 2.291 2.211 2.349 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
690 1 29 VAL HA 1 29 VAL MG1 3.000 . 4.600 2.410 2.324 2.501 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
691 1 29 VAL H 1 29 VAL MG2 2.500 . 4.400 2.348 2.008 2.650 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
692 1 29 VAL H 1 29 VAL MG1 4.000 . 6.500 3.754 3.706 3.775 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
693 1 39 VAL HA 1 39 VAL MG1 2.500 . 4.000 2.299 2.243 2.418 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
694 1 39 VAL HA 1 39 VAL MG2 3.000 . 4.400 2.359 2.274 2.459 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
695 1 39 VAL H 1 39 VAL MG2 2.500 . 4.400 2.667 2.148 3.110 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
696 1 39 VAL H 1 39 VAL MG1 4.000 . 6.500 3.868 3.735 3.982 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
697 1 54 VAL HA 1 54 VAL MG2 2.500 . 4.000 2.371 2.327 2.416 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
698 1 54 VAL H 1 54 VAL MG1 2.500 . 4.400 2.148 2.033 2.279 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
699 1 54 VAL H 1 54 VAL MG2 4.000 . 6.500 3.958 3.921 3.995 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
700 1 2 THR HA 1 2 THR MG 3.000 . 4.400 2.311 2.216 2.379 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
701 1 11 THR HA 1 11 THR MG 2.500 . 4.000 2.286 2.228 2.726 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
702 1 16 THR HA 1 16 THR MG 3.000 . 4.400 3.205 3.183 3.217 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
703 1 17 THR HA 1 17 THR MG 2.500 . 4.000 2.613 2.544 2.650 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
704 1 25 THR HA 1 25 THR MG 2.500 . 4.000 3.185 3.141 3.217 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
705 1 44 THR HA 1 44 THR MG 2.500 . 4.000 2.331 2.249 2.737 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
706 1 51 THR HA 1 51 THR MG 2.500 . 4.000 2.520 2.237 2.633 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
707 1 53 THR HA 1 53 THR MG 2.500 . 4.000 2.321 2.273 2.401 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
708 1 2 THR H 1 2 THR MG 4.000 . 6.500 3.938 3.796 4.012 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
709 1 11 THR H 1 11 THR MG 3.000 . 5.000 2.984 1.850 3.350 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
710 1 16 THR H 1 16 THR MG 3.000 . 5.000 2.283 2.046 2.782 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
711 1 17 THR H 1 17 THR MG 3.000 . 5.000 2.306 2.065 2.541 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
712 1 18 THR H 1 18 THR MG 3.000 . 5.000 2.488 2.370 2.542 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
713 1 25 THR H 1 25 THR MG 4.000 . 6.500 2.473 1.927 2.875 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
714 1 44 THR H 1 44 THR MG 3.000 . 5.000 2.986 2.185 3.134 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
715 1 49 THR H 1 49 THR MG 3.000 . 5.000 3.081 2.443 3.441 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
716 1 51 THR H 1 51 THR MG 4.000 . 6.500 3.885 3.741 3.983 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
717 1 53 THR H 1 53 THR MG 4.000 . 6.500 4.008 3.971 4.028 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
718 1 55 THR H 1 55 THR MG 4.000 . 6.500 3.994 3.971 4.013 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
719 1 15 GLU H 1 15 GLU QG 4.000 . 6.000 2.567 2.404 4.319 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
720 1 15 GLU HA 1 15 GLU QG 3.000 . 3.900 3.280 2.560 3.508 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
721 1 19 GLU H 1 19 GLU QG 4.000 . 6.000 3.378 1.998 4.126 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
722 1 19 GLU HA 1 19 GLU HG3 4.000 . 5.600 2.799 2.331 3.691 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
723 1 19 GLU HA 1 19 GLU HG2 4.000 . 5.600 2.808 2.341 3.737 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
724 1 27 GLU HA 1 27 GLU HG3 3.000 . 3.900 2.893 2.346 3.040 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
725 1 27 GLU HA 1 27 GLU HG2 2.500 . 3.300 2.353 2.316 2.682 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
726 1 27 GLU H 1 27 GLU HG3 2.500 . 3.700 2.513 2.016 2.918 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
727 1 27 GLU H 1 27 GLU HG2 4.000 . 6.000 3.640 3.343 4.161 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
728 1 42 GLU H 1 42 GLU QG 4.000 . 6.000 2.544 1.948 3.656 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
729 1 56 GLU H 1 56 GLU QG 3.000 . 4.300 3.650 3.567 3.835 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
730 1 56 GLU HA 1 56 GLU QG 2.500 . 3.300 2.240 2.142 2.335 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
731 1 1 MET HA 1 1 MET QG 3.000 . 3.900 2.561 2.096 3.502 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
732 1 5 LEU HA 1 5 LEU MD2 4.000 . 7.500 3.938 3.919 3.953 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
733 1 5 LEU HA 1 5 LEU MD1 2.500 . 4.200 2.236 2.223 2.245 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
734 1 5 LEU HA 1 5 LEU HG 4.000 . 5.000 3.237 3.191 3.472 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
735 1 5 LEU H 1 5 LEU MD2 4.000 . 7.500 4.256 4.237 4.279 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
736 1 5 LEU H 1 5 LEU MD1 4.000 . 6.500 4.318 4.278 4.344 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
737 1 7 LEU HA 1 7 LEU HG 2.500 . 2.700 2.394 2.331 2.509 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
738 1 7 LEU H 1 7 LEU HG 3.000 . 3.300 2.726 2.451 2.910 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
739 1 7 LEU HA 1 7 LEU MD2 2.500 . 4.200 2.525 2.289 2.733 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
740 1 7 LEU H 1 7 LEU MD1 3.000 . 4.800 2.890 2.575 3.231 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
741 1 12 LEU HA 1 12 LEU MD1 3.000 . 4.800 2.339 2.076 2.520 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
742 1 12 LEU HA 1 12 LEU MD2 4.000 . 7.500 3.761 3.719 3.811 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
743 1 6 ILE H 1 6 ILE HG13 3.000 . 4.300 3.049 2.732 3.414 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
744 1 6 ILE H 1 6 ILE HG12 3.000 . 4.300 4.036 3.628 4.420 0.120 21 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
745 1 6 ILE H 1 6 ILE MG 4.000 . 6.500 3.848 3.695 3.957 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
746 1 6 ILE HA 1 6 ILE MG 2.500 . 3.800 2.391 2.266 2.517 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
747 1 6 ILE HA 1 6 ILE MD 4.000 . 6.500 3.762 3.699 3.874 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
748 1 6 ILE HA 1 6 ILE HG13 3.000 . 3.900 2.970 2.553 3.298 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
749 1 6 ILE HA 1 6 ILE HG12 3.000 . 3.900 2.498 2.372 2.690 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
750 1 6 ILE HB 1 6 ILE MD 3.000 . 4.800 2.329 2.207 2.459 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
751 1 6 ILE HB 1 6 ILE HG13 2.500 . 3.700 2.493 2.400 2.645 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
752 1 6 ILE HB 1 6 ILE HG12 3.000 . 4.300 3.033 3.002 3.045 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
753 1 4 LYS HA 1 4 LYS QG 2.500 . 3.300 2.217 2.196 2.274 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
754 1 10 LYS H 1 10 LYS QG 4.000 . 6.000 3.235 1.629 4.085 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
755 1 10 LYS H 1 10 LYS QD 4.000 . 6.000 4.051 2.167 4.835 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
756 1 13 LYS H 1 13 LYS QG 3.000 . 4.300 3.035 2.359 3.656 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
757 1 13 LYS HA 1 13 LYS QG 2.500 . 3.300 2.337 2.232 2.521 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
758 1 28 LYS H 1 28 LYS QG 4.000 . 6.000 2.428 1.650 4.053 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
759 1 28 LYS HA 1 28 LYS QG 3.000 . 3.900 2.801 2.258 3.325 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
760 1 31 LYS H 1 31 LYS HG3 4.000 . 6.000 4.461 4.394 4.651 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
761 1 31 LYS HA 1 31 LYS QG 2.500 . 3.300 2.330 2.256 2.387 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
762 1 31 LYS HA 1 31 LYS QD 4.000 . 6.000 3.805 2.807 4.196 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
763 1 31 LYS H 1 31 LYS HG2 4.000 . 6.000 4.493 4.399 4.684 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
764 1 50 LYS H 1 50 LYS QG 4.000 . 6.000 2.558 2.386 3.596 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
765 1 50 LYS H 1 50 LYS QD 4.000 . 6.000 4.195 1.966 4.647 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
766 1 50 LYS HA 1 50 LYS QG 3.000 . 3.900 2.433 2.273 2.716 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
767 1 50 LYS HA 1 50 LYS QD 4.000 . 6.000 3.753 2.314 4.172 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
768 1 8 ASN HB3 1 8 ASN HD21 3.000 . 3.300 3.171 3.125 3.235 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
769 1 32 GLN HA 1 32 GLN HE21 4.000 . 6.000 4.512 1.995 5.434 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
770 1 35 ASN HA 1 35 ASN HD21 4.000 . 5.000 3.497 1.846 4.525 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
771 1 37 ASN HB2 1 37 ASN HD21 2.500 . 2.700 2.426 2.234 2.704 0.004 18 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
772 1 37 ASN HB2 1 37 ASN HD22 4.000 . 5.000 3.578 3.503 3.691 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
773 1 3 TYR H 1 3 TYR HD1 3.000 . 3.300 1.864 1.796 2.370 0.004 52 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
774 1 30 PHE H 1 30 PHE HD2 3.000 . 3.500 3.196 3.115 3.290 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
775 1 33 TYR H 1 33 TYR HD1 4.000 . 5.000 4.558 4.448 4.677 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
776 1 33 TYR H 1 33 TYR HD2 4.000 . 5.000 4.899 4.783 4.989 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
777 1 43 TRP H 1 43 TRP HD1 3.000 . 3.300 2.950 2.786 3.083 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
778 1 52 PHE H 1 52 PHE HD2 3.000 . 3.300 3.346 3.269 3.401 0.101 16 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
779 1 3 TYR HA 1 3 TYR HD2 3.000 . 3.300 3.288 3.063 3.351 0.051 55 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
780 1 30 PHE HA 1 30 PHE HD1 2.500 . 2.700 2.304 2.285 2.323 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
781 1 33 TYR HA 1 33 TYR HD2 3.000 . 3.300 3.147 3.038 3.193 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
782 1 43 TRP HA 1 43 TRP HD1 3.000 . 3.500 3.480 3.442 3.510 0.010 44 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
783 1 43 TRP HA 1 43 TRP HE3 3.000 . 3.500 3.520 3.487 3.544 0.044 25 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
784 1 45 TYR HA 1 45 TYR QD 3.000 . 5.300 3.022 2.994 3.050 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
785 1 52 PHE HA 1 52 PHE QD 3.000 . 5.300 2.886 2.855 2.908 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
786 1 3 TYR HB3 1 3 TYR HD2 2.500 . 2.700 2.376 2.351 2.427 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
787 1 3 TYR HB2 1 3 TYR HD1 2.500 . 2.700 2.565 2.486 2.605 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
788 1 30 PHE HB3 1 30 PHE HD1 2.500 . 2.700 2.766 2.747 2.786 0.086 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
789 1 30 PHE HB2 1 30 PHE HD2 3.000 . 3.300 2.337 2.329 2.340 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
790 1 33 TYR HB2 1 33 TYR HD2 2.500 . 2.700 2.407 2.395 2.438 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
791 1 33 TYR HB3 1 33 TYR HD1 2.500 . 2.700 2.511 2.467 2.529 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
792 1 43 TRP HB3 1 43 TRP HE3 2.500 . 2.700 2.239 2.231 2.246 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
793 1 43 TRP HB2 1 43 TRP HD1 2.500 . 2.700 2.783 2.772 2.798 0.098 28 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
794 1 45 TYR HB3 1 45 TYR HD1 3.000 . 3.300 2.898 2.881 2.908 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
795 1 52 PHE HB2 1 52 PHE HD2 3.000 . 3.300 2.402 2.378 2.431 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
796 1 52 PHE HB3 1 52 PHE HD1 2.500 . 2.700 2.511 2.487 2.533 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 68
_Distance_constraint_stats_list.Viol_count 707
_Distance_constraint_stats_list.Viol_total 16999.150
_Distance_constraint_stats_list.Viol_max 2.178
_Distance_constraint_stats_list.Viol_rms 0.3252
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0694
_Distance_constraint_stats_list.Viol_average_violations_only 0.4007
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.167 0.044 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 3 TYR 4.964 0.113 47 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 4 LYS 5.768 0.112 9 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 5 LEU 2.758 0.096 21 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 6 ILE 0.099 0.027 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 7 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 8 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 9 GLY 4.000 0.104 13 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 12 LEU 4.000 0.104 13 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 16 THR 2.758 0.096 21 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 18 THR 4.964 0.113 47 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 20 ALA 0.167 0.044 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 22 ASP 40.432 1.409 57 20 "[* * . ** 1* *. ** 2 * ** * 3 ** * *. 5 * .*+ -]"
1 23 ALA 0.059 0.024 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 24 ALA 0.825 0.053 22 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 25 THR 38.896 1.409 57 20 "[* * . ** 1* *. ** 2 * ** * 3 ** * *. 5 * .*+ -]"
1 26 ALA 1.536 0.105 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 27 GLU 0.169 0.031 43 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 28 LYS 0.825 0.053 22 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 29 VAL 1.646 0.079 41 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 30 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 31 LYS 0.118 0.031 43 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 32 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 33 TYR 1.646 0.079 41 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 34 ALA 0.143 0.025 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 35 ASN 0.009 0.009 27 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 39 VAL 0.143 0.025 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 42 GLU 0.108 0.033 41 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 44 THR 0.113 0.018 13 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 46 ASP 222.119 2.178 48 60 [***********************************************+*-**********]
1 48 ALA 221.811 2.178 48 60 [***********************************************+*-**********]
1 50 LYS 0.367 0.047 53 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 51 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 52 PHE 5.808 0.112 9 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 53 THR 0.113 0.018 13 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 54 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 55 THR 0.108 0.033 41 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
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 O 1 20 ALA N 3.300 2.500 3.500 3.174 2.757 3.492 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
2 1 3 TYR N 1 18 THR O 3.300 2.500 3.500 3.371 3.328 3.514 0.014 21 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
3 1 3 TYR O 1 18 THR N 3.300 2.500 3.500 3.318 3.251 3.397 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
4 1 5 LEU N 1 16 THR O 3.300 2.500 3.500 2.747 2.628 2.853 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
5 1 5 LEU O 1 16 THR N 3.300 2.500 3.500 3.260 3.186 3.357 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
6 1 7 LEU N 1 14 GLY O 3.300 2.500 3.500 2.741 2.643 2.976 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
7 1 7 LEU O 1 14 GLY N 3.300 2.500 3.500 3.032 2.926 3.202 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
8 1 9 GLY N 1 12 LEU O 3.300 2.500 3.500 2.855 2.573 3.132 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
9 1 9 GLY O 1 12 LEU N 3.300 2.500 3.500 3.322 3.167 3.433 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
10 1 4 LYS N 1 50 LYS O 3.300 2.500 3.500 3.205 2.977 3.386 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
11 1 4 LYS O 1 52 PHE N 3.300 2.500 3.500 2.405 2.388 2.426 0.112 9 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
12 1 6 ILE N 1 52 PHE O 3.300 2.500 3.500 2.960 2.826 3.047 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
13 1 6 ILE O 1 54 VAL N 3.300 2.500 3.500 3.099 2.990 3.229 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
14 1 8 ASN N 1 54 VAL O 3.300 2.500 3.500 2.887 2.785 3.076 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
15 1 42 GLU N 1 55 THR O 3.300 2.500 3.500 3.285 3.025 3.413 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
16 1 42 GLU O 1 55 THR N 3.300 2.500 3.500 3.013 2.902 3.145 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
17 1 44 THR N 1 53 THR O 3.300 2.500 3.500 2.697 2.659 2.744 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
18 1 44 THR O 1 53 THR N 3.300 2.500 3.500 3.296 2.851 3.458 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
19 1 46 ASP N 1 51 THR O 3.300 2.500 3.500 3.051 2.902 3.153 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
20 1 46 ASP O 1 50 LYS N 3.300 2.500 3.500 2.960 2.788 3.103 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
21 1 46 ASP O 1 51 THR N 3.300 2.500 3.500 3.185 2.915 3.396 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
22 1 22 ASP O 1 26 ALA N 3.300 2.500 3.500 3.300 3.146 3.444 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
23 1 23 ALA O 1 27 GLU N 3.300 2.500 3.500 3.029 2.696 3.379 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
24 1 24 ALA O 1 28 LYS N 3.300 2.500 3.500 3.424 3.203 3.499 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
25 1 25 THR O 1 29 VAL N 3.300 2.500 3.500 2.800 2.613 3.065 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
26 1 26 ALA O 1 30 PHE N 3.300 2.500 3.500 3.053 2.838 3.232 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
27 1 27 GLU O 1 31 LYS N 3.300 2.500 3.500 3.152 2.706 3.415 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
28 1 28 LYS O 1 32 GLN N 3.300 2.500 3.500 2.864 2.703 3.129 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
29 1 29 VAL O 1 33 TYR N 3.300 2.500 3.500 3.337 3.230 3.436 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
30 1 30 PHE O 1 34 ALA N 3.300 2.500 3.500 2.979 2.789 3.197 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
31 1 31 LYS O 1 35 ASN N 3.300 2.500 3.500 3.063 2.851 3.281 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
32 1 34 ALA O 1 39 VAL N 3.300 2.500 3.500 3.223 2.886 3.474 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
33 1 22 ASP OD2 1 25 THR N 3.300 2.500 3.500 3.500 2.706 4.778 1.278 57 18 "[* . ** 1* *. * 2 * ** * 3 ** * *. 5 * .*+ -]" 2
34 1 1 MET O 1 20 ALA H 2.300 . 2.500 2.256 1.810 2.544 0.044 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
35 1 3 TYR H 1 18 THR O 2.300 . 2.500 2.575 2.534 2.613 0.113 47 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
36 1 3 TYR O 1 18 THR H 2.300 . 2.500 2.447 2.352 2.560 0.060 27 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
37 1 5 LEU H 1 16 THR O 2.300 . 2.500 1.811 1.757 1.919 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
38 1 5 LEU O 1 16 THR H 2.300 . 2.500 2.541 2.314 2.596 0.096 21 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
39 1 7 LEU H 1 14 GLY O 2.300 . 2.500 1.911 1.814 2.167 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
40 1 7 LEU O 1 14 GLY H 2.300 . 2.500 2.130 1.999 2.302 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
41 1 9 GLY H 1 12 LEU O 2.300 . 2.500 2.543 2.236 2.604 0.104 13 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
42 1 9 GLY O 1 12 LEU H 2.300 . 2.500 2.508 2.368 2.557 0.057 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
43 1 4 LYS H 1 50 LYS O 2.300 . 2.500 2.341 2.114 2.524 0.024 60 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
44 1 4 LYS O 1 52 PHE H 2.300 . 2.500 1.834 1.795 1.882 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
45 1 6 ILE H 1 52 PHE O 2.300 . 2.500 2.447 2.324 2.527 0.027 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
46 1 6 ILE O 1 54 VAL H 2.300 . 2.500 2.126 2.008 2.256 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
47 1 8 ASN H 1 54 VAL O 2.300 . 2.500 1.983 1.885 2.168 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
48 1 42 GLU H 1 55 THR O 2.300 . 2.500 2.371 2.120 2.533 0.033 41 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
49 1 42 GLU O 1 55 THR H 2.300 . 2.500 2.043 1.931 2.175 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
50 1 44 THR H 1 53 THR O 2.300 . 2.500 1.777 1.749 1.848 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
51 1 44 THR O 1 53 THR H 2.300 . 2.500 2.404 2.097 2.518 0.018 13 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
52 1 46 ASP H 1 51 THR O 2.300 . 2.500 2.296 2.106 2.421 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
53 1 46 ASP O 1 50 LYS H 2.300 . 2.500 2.442 2.208 2.547 0.047 53 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
54 1 46 ASP O 1 51 THR H 2.300 . 2.500 2.241 1.951 2.451 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
55 1 22 ASP O 1 26 ALA H 2.300 . 2.500 2.512 2.288 2.605 0.105 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
56 1 23 ALA O 1 27 GLU H 2.300 . 2.500 2.176 1.810 2.524 0.024 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
57 1 24 ALA O 1 28 LYS H 2.300 . 2.500 2.493 2.313 2.553 0.053 22 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
58 1 25 THR O 1 29 VAL H 2.300 . 2.500 1.901 1.760 2.272 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
59 1 26 ALA O 1 30 PHE H 2.300 . 2.500 2.103 1.873 2.306 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
60 1 27 GLU O 1 31 LYS H 2.300 . 2.500 2.292 1.819 2.531 0.031 43 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
61 1 28 LYS O 1 32 GLN H 2.300 . 2.500 2.005 1.813 2.355 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
62 1 29 VAL O 1 33 TYR H 2.300 . 2.500 2.526 2.425 2.579 0.079 41 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
63 1 30 PHE O 1 34 ALA H 2.300 . 2.500 2.036 1.829 2.241 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
64 1 31 LYS O 1 35 ASN H 2.300 . 2.500 2.208 1.981 2.509 0.009 27 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
65 1 34 ALA O 1 39 VAL H 2.300 . 2.500 2.341 1.997 2.525 0.025 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
66 1 22 ASP OD2 1 25 THR H 2.300 . 2.500 2.575 1.806 3.909 1.409 57 20 "[* - . ** 1* *. ** 2 * ** * 3 ** * *. 5 * .*+ *]" 2
67 1 46 ASP OD2 1 48 ALA H 2.300 . 2.500 4.473 4.235 4.678 2.178 48 60 [***********************************************+*-**********] 2
68 1 46 ASP OD2 1 48 ALA N 3.300 2.500 3.500 5.223 5.015 5.388 1.888 49 60 [************************************************+-**********] 2
stop_
save_
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