NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
390803 |
1oqp   |
5722 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1oqp
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 1201
_Distance_constraint_stats_list.Viol_count 354
_Distance_constraint_stats_list.Viol_total 202.375
_Distance_constraint_stats_list.Viol_max 0.130
_Distance_constraint_stats_list.Viol_rms 0.0043
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0286
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLU 0.194 0.036 8 0 "[ . 1 . 2]"
1 10 GLU 0.352 0.040 11 0 "[ . 1 . 2]"
1 11 ILE 0.353 0.040 11 0 "[ . 1 . 2]"
1 12 LEU 0.194 0.036 8 0 "[ . 1 . 2]"
1 13 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 PHE 0.065 0.040 2 0 "[ . 1 . 2]"
1 16 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 LEU 0.004 0.004 13 0 "[ . 1 . 2]"
1 18 PHE 0.264 0.047 17 0 "[ . 1 . 2]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLY 0.065 0.040 2 0 "[ . 1 . 2]"
1 25 THR 0.625 0.059 6 0 "[ . 1 . 2]"
1 26 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 THR 0.082 0.029 1 0 "[ . 1 . 2]"
1 28 ILE 0.070 0.024 6 0 "[ . 1 . 2]"
1 29 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ASP 0.068 0.017 13 0 "[ . 1 . 2]"
1 31 LEU 0.138 0.024 6 0 "[ . 1 . 2]"
1 32 ARG 0.433 0.049 13 0 "[ . 1 . 2]"
1 33 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ALA 0.433 0.049 13 0 "[ . 1 . 2]"
1 36 LYS 0.006 0.006 10 0 "[ . 1 . 2]"
1 37 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LEU 0.737 0.086 18 0 "[ . 1 . 2]"
1 39 GLY 0.737 0.086 18 0 "[ . 1 . 2]"
1 40 GLU 0.324 0.036 4 0 "[ . 1 . 2]"
1 41 ASN 0.318 0.036 4 0 "[ . 1 . 2]"
1 42 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 THR 0.144 0.029 2 0 "[ . 1 . 2]"
1 44 GLU 0.144 0.029 2 0 "[ . 1 . 2]"
1 45 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLU 0.548 0.058 3 0 "[ . 1 . 2]"
1 50 MET 0.012 0.009 16 0 "[ . 1 . 2]"
1 51 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ALA 0.548 0.058 3 0 "[ . 1 . 2]"
1 53 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ARG 0.096 0.096 9 0 "[ . 1 . 2]"
1 57 ASN 0.038 0.038 12 0 "[ . 1 . 2]"
1 58 ASP 0.134 0.096 9 0 "[ . 1 . 2]"
1 59 ASP 0.611 0.075 13 0 "[ . 1 . 2]"
1 60 ASN 0.926 0.075 13 0 "[ . 1 . 2]"
1 61 GLU 0.400 0.055 14 0 "[ . 1 . 2]"
1 62 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ASP 0.608 0.059 6 0 "[ . 1 . 2]"
1 64 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 PHE 0.876 0.045 10 0 "[ . 1 . 2]"
1 68 ILE 0.673 0.045 10 0 "[ . 1 . 2]"
1 69 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ILE 0.038 0.031 15 0 "[ . 1 . 2]"
1 71 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 THR 0.632 0.075 8 0 "[ . 1 . 2]"
1 75 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LEU 0.872 0.075 8 0 "[ . 1 . 2]"
1 77 PHE 0.001 0.001 2 0 "[ . 1 . 2]"
2 2 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 LEU 0.188 0.064 4 0 "[ . 1 . 2]"
2 6 ILE 0.188 0.064 4 0 "[ . 1 . 2]"
2 7 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 TRP 0.779 0.096 7 0 "[ . 1 . 2]"
2 11 HIS 0.815 0.091 11 0 "[ . 1 . 2]"
2 12 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 LEU 1.805 0.096 7 0 "[ . 1 . 2]"
2 14 LEU 1.520 0.130 18 0 "[ . 1 . 2]"
2 15 PHE 1.022 0.130 18 0 "[ . 1 . 2]"
2 16 HIS 0.433 0.082 18 0 "[ . 1 . 2]"
2 17 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 18 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 19 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 GLU HA 1 4 GLU QG . . 3.500 2.575 2.305 3.236 . 0 0 "[ . 1 . 2]" 1
2 1 5 ARG H 1 5 ARG QB . . 3.500 2.397 2.153 3.203 . 0 0 "[ . 1 . 2]" 1
3 1 5 ARG H 1 5 ARG QD . . 5.800 3.923 2.296 4.721 . 0 0 "[ . 1 . 2]" 1
4 1 5 ARG HA 1 5 ARG QG . . 3.500 2.625 2.225 3.106 . 0 0 "[ . 1 . 2]" 1
5 1 8 ARG H 1 8 ARG QB . . 3.500 2.210 2.138 2.351 . 0 0 "[ . 1 . 2]" 1
6 1 8 ARG H 1 8 ARG QD . . 5.800 4.631 4.277 4.813 . 0 0 "[ . 1 . 2]" 1
7 1 9 GLU H 1 9 GLU QB . . 3.500 2.462 2.236 2.723 . 0 0 "[ . 1 . 2]" 1
8 1 9 GLU H 1 9 GLU QG . . 4.500 2.625 2.104 3.968 . 0 0 "[ . 1 . 2]" 1
9 1 10 GLU H 1 10 GLU QB . . 3.500 2.519 2.357 2.631 . 0 0 "[ . 1 . 2]" 1
10 1 10 GLU H 1 10 GLU QG . . 3.500 2.157 2.029 2.351 . 0 0 "[ . 1 . 2]" 1
11 1 11 ILE H 1 11 ILE HB . . 3.500 2.370 2.324 2.470 . 0 0 "[ . 1 . 2]" 1
12 1 11 ILE H 1 11 ILE QG . . 4.500 2.286 2.213 2.366 . 0 0 "[ . 1 . 2]" 1
13 1 11 ILE HA 1 11 ILE QG . . 3.500 2.349 2.322 2.401 . 0 0 "[ . 1 . 2]" 1
14 1 12 LEU H 1 12 LEU QB . . 3.500 2.144 2.120 2.167 . 0 0 "[ . 1 . 2]" 1
15 1 12 LEU HA 1 12 LEU MD2 . . 4.000 2.068 2.037 2.080 . 0 0 "[ . 1 . 2]" 1
16 1 13 LYS H 1 13 LYS QB . . 3.500 2.436 2.359 2.724 . 0 0 "[ . 1 . 2]" 1
17 1 13 LYS H 1 13 LYS QE . . 5.800 4.100 3.514 4.777 . 0 0 "[ . 1 . 2]" 1
18 1 13 LYS H 1 13 LYS QG . . 3.500 2.333 2.120 2.432 . 0 0 "[ . 1 . 2]" 1
19 1 13 LYS QE 1 13 LYS QG . . 3.500 2.336 2.141 2.811 . 0 0 "[ . 1 . 2]" 1
20 1 15 PHE H 1 15 PHE QB . . 3.500 2.217 2.190 2.239 . 0 0 "[ . 1 . 2]" 1
21 1 16 ARG H 1 16 ARG QB . . 3.500 2.367 2.170 2.536 . 0 0 "[ . 1 . 2]" 1
22 1 16 ARG QB 1 16 ARG QD . . 3.500 2.480 2.186 2.829 . 0 0 "[ . 1 . 2]" 1
23 1 16 ARG HA 1 16 ARG QG . . 3.500 2.588 2.143 3.084 . 0 0 "[ . 1 . 2]" 1
24 1 17 LEU H 1 17 LEU HG . . 3.500 3.351 3.239 3.504 0.004 13 0 "[ . 1 . 2]" 1
25 1 17 LEU H 1 17 LEU QB . . 3.500 2.177 2.145 2.198 . 0 0 "[ . 1 . 2]" 1
26 1 17 LEU HA 1 17 LEU MD1 . . 4.000 3.329 3.263 3.350 . 0 0 "[ . 1 . 2]" 1
27 1 26 ILE HA 1 26 ILE QG . . 3.500 2.647 2.583 2.704 . 0 0 "[ . 1 . 2]" 1
28 1 28 ILE H 1 28 ILE HB . . 3.500 2.351 2.154 2.507 . 0 0 "[ . 1 . 2]" 1
29 1 28 ILE HA 1 28 ILE MD . . 4.000 3.121 2.315 3.444 . 0 0 "[ . 1 . 2]" 1
30 1 28 ILE HA 1 28 ILE QG . . 3.500 2.353 2.100 2.888 . 0 0 "[ . 1 . 2]" 1
31 1 29 LYS H 1 29 LYS QB . . 3.500 2.481 2.380 2.552 . 0 0 "[ . 1 . 2]" 1
32 1 29 LYS H 1 29 LYS QE . . 5.800 4.383 3.535 4.967 . 0 0 "[ . 1 . 2]" 1
33 1 29 LYS H 1 29 LYS QG . . 3.500 2.161 2.033 2.540 . 0 0 "[ . 1 . 2]" 1
34 1 31 LEU HA 1 31 LEU HG . . 3.500 3.057 3.006 3.195 . 0 0 "[ . 1 . 2]" 1
35 1 31 LEU H 1 31 LEU HG . . 3.500 2.163 2.069 2.240 . 0 0 "[ . 1 . 2]" 1
36 1 31 LEU HA 1 31 LEU MD2 . . 4.000 2.144 2.122 2.183 . 0 0 "[ . 1 . 2]" 1
37 1 32 ARG HA 1 32 ARG QG . . 3.500 2.797 2.219 3.067 . 0 0 "[ . 1 . 2]" 1
38 1 32 ARG H 1 32 ARG QB . . 3.500 2.288 2.259 2.330 . 0 0 "[ . 1 . 2]" 1
39 1 32 ARG H 1 32 ARG QD . . 5.800 4.370 4.147 4.731 . 0 0 "[ . 1 . 2]" 1
40 1 32 ARG QB 1 32 ARG QD . . 3.500 2.477 2.312 2.604 . 0 0 "[ . 1 . 2]" 1
41 1 33 ARG HA 1 33 ARG QG . . 3.500 2.668 2.272 3.164 . 0 0 "[ . 1 . 2]" 1
42 1 33 ARG H 1 33 ARG QB . . 3.500 2.267 2.152 2.618 . 0 0 "[ . 1 . 2]" 1
43 1 33 ARG H 1 33 ARG QD . . 5.800 4.297 3.395 5.005 . 0 0 "[ . 1 . 2]" 1
44 1 33 ARG H 1 33 ARG QG . . 4.500 3.567 2.217 4.032 . 0 0 "[ . 1 . 2]" 1
45 1 33 ARG QB 1 33 ARG QD . . 3.500 2.362 2.098 2.813 . 0 0 "[ . 1 . 2]" 1
46 1 36 LYS H 1 36 LYS QB . . 3.500 2.296 2.146 2.576 . 0 0 "[ . 1 . 2]" 1
47 1 37 GLU H 1 37 GLU QB . . 3.500 2.406 2.332 2.480 . 0 0 "[ . 1 . 2]" 1
48 1 37 GLU H 1 37 GLU QG . . 3.500 2.341 2.238 2.435 . 0 0 "[ . 1 . 2]" 1
49 1 38 LEU HA 1 38 LEU HG . . 4.500 3.006 2.789 3.247 . 0 0 "[ . 1 . 2]" 1
50 1 38 LEU H 1 38 LEU HG . . 3.500 2.324 2.228 2.421 . 0 0 "[ . 1 . 2]" 1
51 1 38 LEU H 1 38 LEU QB . . 3.500 2.435 2.375 2.518 . 0 0 "[ . 1 . 2]" 1
52 1 38 LEU H 1 38 LEU MD1 . . 5.000 3.459 3.238 3.641 . 0 0 "[ . 1 . 2]" 1
53 1 38 LEU HA 1 38 LEU MD2 . . 4.000 2.225 2.142 2.338 . 0 0 "[ . 1 . 2]" 1
54 1 40 GLU H 1 40 GLU QB . . 3.500 2.396 2.290 2.496 . 0 0 "[ . 1 . 2]" 1
55 1 40 GLU H 1 40 GLU QG . . 4.500 2.300 2.001 2.660 . 0 0 "[ . 1 . 2]" 1
56 1 42 LEU HA 1 42 LEU HG . . 3.500 2.992 2.907 3.105 . 0 0 "[ . 1 . 2]" 1
57 1 42 LEU H 1 42 LEU HG . . 3.500 2.383 2.224 2.906 . 0 0 "[ . 1 . 2]" 1
58 1 42 LEU H 1 42 LEU QB . . 3.500 2.395 2.344 2.444 . 0 0 "[ . 1 . 2]" 1
59 1 42 LEU HA 1 42 LEU MD2 . . 4.000 2.161 2.099 2.215 . 0 0 "[ . 1 . 2]" 1
60 1 45 GLU HA 1 45 GLU QG . . 3.500 2.623 2.371 3.144 . 0 0 "[ . 1 . 2]" 1
61 1 45 GLU H 1 45 GLU QB . . 3.500 2.490 2.180 2.823 . 0 0 "[ . 1 . 2]" 1
62 1 45 GLU H 1 45 GLU QG . . 4.500 2.794 2.041 4.020 . 0 0 "[ . 1 . 2]" 1
63 1 46 GLU HA 1 46 GLU QG . . 3.500 2.503 2.357 2.971 . 0 0 "[ . 1 . 2]" 1
64 1 46 GLU H 1 46 GLU QB . . 3.500 2.375 2.295 2.473 . 0 0 "[ . 1 . 2]" 1
65 1 47 LEU HA 1 47 LEU HG . . 3.500 3.061 2.861 3.206 . 0 0 "[ . 1 . 2]" 1
66 1 47 LEU H 1 47 LEU HG . . 3.500 2.255 2.161 2.366 . 0 0 "[ . 1 . 2]" 1
67 1 47 LEU H 1 47 LEU QB . . 3.500 2.437 2.369 2.546 . 0 0 "[ . 1 . 2]" 1
68 1 47 LEU H 1 47 LEU MD1 . . 5.000 3.535 3.140 3.763 . 0 0 "[ . 1 . 2]" 1
69 1 47 LEU HA 1 47 LEU MD2 . . 4.000 2.146 2.070 2.303 . 0 0 "[ . 1 . 2]" 1
70 1 48 GLN H 1 48 GLN QB . . 3.500 2.283 2.117 2.369 . 0 0 "[ . 1 . 2]" 1
71 1 48 GLN H 1 48 GLN QG . . 4.500 2.806 2.480 3.745 . 0 0 "[ . 1 . 2]" 1
72 1 48 GLN HA 1 48 GLN QE . . 5.800 3.840 2.255 4.340 . 0 0 "[ . 1 . 2]" 1
73 1 48 GLN HA 1 48 GLN QG . . 3.500 2.185 2.057 2.753 . 0 0 "[ . 1 . 2]" 1
74 1 49 GLU H 1 49 GLU QB . . 3.500 2.475 2.373 2.559 . 0 0 "[ . 1 . 2]" 1
75 1 49 GLU H 1 49 GLU QG . . 3.500 2.280 2.179 2.452 . 0 0 "[ . 1 . 2]" 1
76 1 50 MET HA 1 50 MET QG . . 3.500 2.439 2.303 2.519 . 0 0 "[ . 1 . 2]" 1
77 1 50 MET H 1 50 MET ME . . 6.300 4.604 4.143 4.748 . 0 0 "[ . 1 . 2]" 1
78 1 50 MET H 1 50 MET QG . . 4.500 2.193 2.084 2.560 . 0 0 "[ . 1 . 2]" 1
79 1 51 ILE H 1 51 ILE HB . . 3.500 2.419 2.299 2.512 . 0 0 "[ . 1 . 2]" 1
80 1 51 ILE H 1 51 ILE QG . . 3.500 2.277 2.185 2.475 . 0 0 "[ . 1 . 2]" 1
81 1 51 ILE HA 1 51 ILE MD . . 4.000 2.618 2.292 3.319 . 0 0 "[ . 1 . 2]" 1
82 1 51 ILE HA 1 51 ILE QG . . 3.500 2.635 2.266 2.789 . 0 0 "[ . 1 . 2]" 1
83 1 53 GLU H 1 53 GLU QB . . 3.500 2.220 2.064 2.534 . 0 0 "[ . 1 . 2]" 1
84 1 55 ASP H 1 55 ASP QB . . 3.500 2.215 2.126 2.402 . 0 0 "[ . 1 . 2]" 1
85 1 56 ARG H 1 56 ARG QD . . 5.800 3.676 2.808 4.420 . 0 0 "[ . 1 . 2]" 1
86 1 61 GLU HA 1 61 GLU QG . . 3.500 2.568 2.371 2.721 . 0 0 "[ . 1 . 2]" 1
87 1 61 GLU H 1 61 GLU QB . . 3.500 2.661 2.480 2.909 . 0 0 "[ . 1 . 2]" 1
88 1 61 GLU H 1 61 GLU QG . . 4.500 2.667 2.204 2.883 . 0 0 "[ . 1 . 2]" 1
89 1 62 ILE HA 1 62 ILE QG . . 3.500 3.167 2.769 3.254 . 0 0 "[ . 1 . 2]" 1
90 1 62 ILE HA 1 62 ILE MD . . 4.000 2.534 2.212 3.372 . 0 0 "[ . 1 . 2]" 1
91 1 64 GLU HA 1 64 GLU QG . . 3.500 2.254 2.203 2.354 . 0 0 "[ . 1 . 2]" 1
92 1 64 GLU H 1 64 GLU QB . . 3.500 2.319 2.157 2.442 . 0 0 "[ . 1 . 2]" 1
93 1 64 GLU H 1 64 GLU QG . . 4.500 2.878 2.233 3.920 . 0 0 "[ . 1 . 2]" 1
94 1 65 ASP H 1 65 ASP QB . . 3.500 2.287 2.193 2.607 . 0 0 "[ . 1 . 2]" 1
95 1 66 GLU H 1 66 GLU QG . . 4.500 2.230 2.158 2.307 . 0 0 "[ . 1 . 2]" 1
96 1 66 GLU HA 1 66 GLU QG . . 3.500 2.371 2.306 2.424 . 0 0 "[ . 1 . 2]" 1
97 1 67 PHE H 1 67 PHE QB . . 3.500 2.229 2.195 2.262 . 0 0 "[ . 1 . 2]" 1
98 1 68 ILE HA 1 68 ILE QG . . 3.500 2.356 2.307 2.389 . 0 0 "[ . 1 . 2]" 1
99 1 68 ILE H 1 68 ILE HB . . 3.500 2.310 2.275 2.373 . 0 0 "[ . 1 . 2]" 1
100 1 68 ILE H 1 68 ILE QG . . 4.500 2.317 2.232 2.404 . 0 0 "[ . 1 . 2]" 1
101 1 69 ARG H 1 69 ARG QB . . 3.500 2.293 2.091 2.687 . 0 0 "[ . 1 . 2]" 1
102 1 69 ARG H 1 69 ARG QG . . 4.500 3.392 2.235 4.028 . 0 0 "[ . 1 . 2]" 1
103 1 70 ILE H 1 70 ILE QG . . 4.500 4.029 4.014 4.039 . 0 0 "[ . 1 . 2]" 1
104 1 71 MET H 1 71 MET QB . . 3.500 2.387 2.151 2.708 . 0 0 "[ . 1 . 2]" 1
105 1 71 MET H 1 71 MET QG . . 4.500 2.808 2.353 3.614 . 0 0 "[ . 1 . 2]" 1
106 1 71 MET HA 1 71 MET ME . . 5.000 2.186 2.072 3.416 . 0 0 "[ . 1 . 2]" 1
107 1 72 LYS H 1 72 LYS QB . . 3.500 2.381 2.166 2.463 . 0 0 "[ . 1 . 2]" 1
108 1 72 LYS H 1 72 LYS QG . . 4.500 2.503 2.300 3.683 . 0 0 "[ . 1 . 2]" 1
109 1 72 LYS HA 1 72 LYS QE . . 5.800 4.542 3.954 4.989 . 0 0 "[ . 1 . 2]" 1
110 1 72 LYS QE 1 72 LYS QG . . 3.500 2.307 2.115 2.426 . 0 0 "[ . 1 . 2]" 1
111 1 72 LYS HA 1 72 LYS QG . . 3.500 2.312 2.158 2.474 . 0 0 "[ . 1 . 2]" 1
112 1 73 LYS HA 1 73 LYS QG . . 3.500 2.446 2.357 2.555 . 0 0 "[ . 1 . 2]" 1
113 1 73 LYS H 1 73 LYS QB . . 3.500 2.323 2.098 2.704 . 0 0 "[ . 1 . 2]" 1
114 1 76 LEU H 1 76 LEU HG . . 3.500 3.458 2.992 3.551 0.051 18 0 "[ . 1 . 2]" 1
115 1 76 LEU HA 1 76 LEU MD2 . . 4.000 2.678 2.545 2.921 . 0 0 "[ . 1 . 2]" 1
116 1 77 PHE H 1 77 PHE QD . . 4.500 3.976 3.820 4.054 . 0 0 "[ . 1 . 2]" 1
117 2 4 GLU H 2 4 GLU QG . . 4.600 2.892 1.956 4.085 . 0 0 "[ . 1 . 2]" 1
118 2 5 LEU H 2 5 LEU HG . . 4.600 3.203 2.040 4.520 . 0 0 "[ . 1 . 2]" 1
119 2 6 ILE H 2 6 ILE QG . . 4.600 2.467 2.019 4.041 . 0 0 "[ . 1 . 2]" 1
120 2 7 GLU H 2 7 GLU QG . . 4.600 2.521 2.024 4.034 . 0 0 "[ . 1 . 2]" 1
121 2 10 TRP HA 2 10 TRP HD1 . . 4.600 4.587 4.423 4.644 0.044 12 0 "[ . 1 . 2]" 1
122 2 10 TRP H 2 10 TRP HD1 . . 4.600 3.414 3.038 3.614 . 0 0 "[ . 1 . 2]" 1
123 2 10 TRP HA 2 10 TRP HE3 . . 4.600 2.441 2.285 2.716 . 0 0 "[ . 1 . 2]" 1
124 2 12 ARG H 2 12 ARG QG . . 4.600 3.924 2.413 4.092 . 0 0 "[ . 1 . 2]" 1
125 2 13 LEU H 2 13 LEU HG . . 4.600 3.120 2.382 4.477 . 0 0 "[ . 1 . 2]" 1
126 2 14 LEU H 2 14 LEU HG . . 4.600 3.673 2.537 4.543 . 0 0 "[ . 1 . 2]" 1
127 2 16 HIS HA 2 16 HIS HD2 . . 4.600 4.166 2.739 4.652 0.052 7 0 "[ . 1 . 2]" 1
128 2 19 LYS H 2 19 LYS QG . . 4.600 3.014 2.066 4.131 . 0 0 "[ . 1 . 2]" 1
129 1 3 GLY QA 1 4 GLU QB . . 5.800 4.364 4.067 4.638 . 0 0 "[ . 1 . 2]" 1
130 1 3 GLY QA 1 4 GLU HA . . 5.800 4.080 3.976 4.237 . 0 0 "[ . 1 . 2]" 1
131 1 3 GLY QA 1 4 GLU H . . 4.500 2.453 2.143 2.862 . 0 0 "[ . 1 . 2]" 1
132 1 4 GLU QB 1 5 ARG H . . 4.500 3.295 2.394 4.025 . 0 0 "[ . 1 . 2]" 1
133 1 4 GLU QG 1 5 ARG H . . 5.800 4.250 2.256 4.973 . 0 0 "[ . 1 . 2]" 1
134 1 7 SER HA 1 8 ARG H . . 4.500 3.473 2.616 3.635 . 0 0 "[ . 1 . 2]" 1
135 1 7 SER QB 1 8 ARG H . . 5.800 2.898 2.453 4.046 . 0 0 "[ . 1 . 2]" 1
136 1 8 ARG HA 1 9 GLU H . . 4.500 3.608 3.566 3.664 . 0 0 "[ . 1 . 2]" 1
137 1 8 ARG QB 1 9 GLU H . . 3.500 2.550 2.307 2.991 . 0 0 "[ . 1 . 2]" 1
138 1 9 GLU HA 1 10 GLU H . . 4.500 3.578 3.539 3.614 . 0 0 "[ . 1 . 2]" 1
139 1 9 GLU H 1 10 GLU H . . 3.500 2.672 2.498 2.960 . 0 0 "[ . 1 . 2]" 1
140 1 9 GLU QB 1 10 GLU H . . 4.500 2.721 2.444 3.571 . 0 0 "[ . 1 . 2]" 1
141 1 10 GLU H 1 11 ILE HB . . 4.500 4.509 4.413 4.540 0.040 11 0 "[ . 1 . 2]" 1
142 1 10 GLU HA 1 11 ILE H . . 4.500 3.562 3.535 3.588 . 0 0 "[ . 1 . 2]" 1
143 1 10 GLU QB 1 11 ILE H . . 4.500 2.468 2.323 2.626 . 0 0 "[ . 1 . 2]" 1
144 1 10 GLU QG 1 11 ILE H . . 5.800 3.950 3.799 4.132 . 0 0 "[ . 1 . 2]" 1
145 1 11 ILE MG 1 12 LEU HA . . 6.300 3.002 2.944 3.068 . 0 0 "[ . 1 . 2]" 1
146 1 11 ILE MG 1 12 LEU HG . . 6.300 5.279 5.259 5.293 . 0 0 "[ . 1 . 2]" 1
147 1 11 ILE HA 1 12 LEU H . . 4.500 3.612 3.564 3.632 . 0 0 "[ . 1 . 2]" 1
148 1 11 ILE HB 1 12 LEU H . . 4.500 2.531 2.480 2.633 . 0 0 "[ . 1 . 2]" 1
149 1 11 ILE H 1 12 LEU H . . 3.500 2.837 2.787 2.880 . 0 0 "[ . 1 . 2]" 1
150 1 11 ILE QG 1 12 LEU H . . 5.800 4.176 4.134 4.230 . 0 0 "[ . 1 . 2]" 1
151 1 11 ILE MG 1 12 LEU H . . 5.000 3.053 2.996 3.193 . 0 0 "[ . 1 . 2]" 1
152 1 11 ILE MG 1 12 LEU MD2 . . 6.800 3.572 3.475 3.661 . 0 0 "[ . 1 . 2]" 1
153 1 12 LEU H 1 13 LYS H . . 3.500 2.791 2.674 2.840 . 0 0 "[ . 1 . 2]" 1
154 1 12 LEU MD1 1 13 LYS HA . . 6.300 3.634 3.431 3.948 . 0 0 "[ . 1 . 2]" 1
155 1 12 LEU MD2 1 13 LYS HA . . 6.300 5.143 4.965 5.272 . 0 0 "[ . 1 . 2]" 1
156 1 12 LEU HA 1 13 LYS H . . 4.500 3.587 3.565 3.603 . 0 0 "[ . 1 . 2]" 1
157 1 12 LEU QB 1 13 LYS H . . 4.500 2.728 2.653 2.885 . 0 0 "[ . 1 . 2]" 1
158 1 12 LEU MD1 1 13 LYS H . . 6.300 3.759 3.596 4.061 . 0 0 "[ . 1 . 2]" 1
159 1 12 LEU MD2 1 13 LYS H . . 6.300 4.639 4.554 4.709 . 0 0 "[ . 1 . 2]" 1
160 1 13 LYS QB 1 14 ALA MB . . 6.300 3.794 3.691 3.899 . 0 0 "[ . 1 . 2]" 1
161 1 13 LYS QB 1 14 ALA HA . . 5.800 3.924 3.829 4.011 . 0 0 "[ . 1 . 2]" 1
162 1 13 LYS HA 1 14 ALA H . . 4.500 3.633 3.611 3.652 . 0 0 "[ . 1 . 2]" 1
163 1 13 LYS H 1 14 ALA H . . 3.500 2.867 2.799 2.914 . 0 0 "[ . 1 . 2]" 1
164 1 13 LYS QB 1 14 ALA H . . 3.500 2.449 2.372 2.559 . 0 0 "[ . 1 . 2]" 1
165 1 14 ALA H 1 15 PHE H . . 3.500 2.803 2.775 2.855 . 0 0 "[ . 1 . 2]" 1
166 1 14 ALA MB 1 15 PHE HA . . 6.300 3.950 3.905 4.009 . 0 0 "[ . 1 . 2]" 1
167 1 14 ALA HA 1 15 PHE H . . 4.500 3.557 3.537 3.579 . 0 0 "[ . 1 . 2]" 1
168 1 14 ALA MB 1 15 PHE H . . 5.000 2.578 2.500 2.674 . 0 0 "[ . 1 . 2]" 1
169 1 15 PHE H 1 16 ARG H . . 4.500 2.853 2.785 2.936 . 0 0 "[ . 1 . 2]" 1
170 1 15 PHE QD 1 16 ARG HA . . 5.800 3.437 2.713 4.149 . 0 0 "[ . 1 . 2]" 1
171 1 15 PHE HA 1 16 ARG H . . 4.500 3.605 3.573 3.629 . 0 0 "[ . 1 . 2]" 1
172 1 15 PHE QB 1 16 ARG H . . 4.500 2.356 2.273 2.426 . 0 0 "[ . 1 . 2]" 1
173 1 15 PHE QD 1 16 ARG H . . 5.800 3.349 3.152 3.594 . 0 0 "[ . 1 . 2]" 1
174 1 16 ARG HA 1 17 LEU H . . 4.500 3.607 3.558 3.622 . 0 0 "[ . 1 . 2]" 1
175 1 16 ARG H 1 17 LEU H . . 3.500 2.794 2.613 2.871 . 0 0 "[ . 1 . 2]" 1
176 1 16 ARG QB 1 17 LEU H . . 4.500 2.643 2.455 3.127 . 0 0 "[ . 1 . 2]" 1
177 1 17 LEU HA 1 18 PHE H . . 5.800 3.580 3.561 3.592 . 0 0 "[ . 1 . 2]" 1
178 1 17 LEU QB 1 18 PHE H . . 5.800 3.416 3.311 3.472 . 0 0 "[ . 1 . 2]" 1
179 1 17 LEU MD2 1 18 PHE QD . . 6.300 3.841 3.554 4.641 . 0 0 "[ . 1 . 2]" 1
180 1 17 LEU MD2 1 18 PHE QE . . 6.300 3.674 3.179 4.684 . 0 0 "[ . 1 . 2]" 1
181 1 18 PHE H 1 19 ASP H . . 4.500 2.775 2.736 2.836 . 0 0 "[ . 1 . 2]" 1
182 1 18 PHE QB 1 19 ASP H . . 5.800 2.585 2.406 2.841 . 0 0 "[ . 1 . 2]" 1
183 1 21 ASP HA 1 22 ASN H . . 4.500 3.422 3.260 3.523 . 0 0 "[ . 1 . 2]" 1
184 1 22 ASN H 1 23 SER H . . 5.800 2.834 2.667 3.074 . 0 0 "[ . 1 . 2]" 1
185 1 22 ASN QB 1 23 SER H . . 5.800 4.020 3.878 4.104 . 0 0 "[ . 1 . 2]" 1
186 1 23 SER H 1 24 GLY H . . 4.500 2.569 2.232 3.299 . 0 0 "[ . 1 . 2]" 1
187 1 23 SER HA 1 24 GLY H . . 4.500 3.442 2.891 3.548 . 0 0 "[ . 1 . 2]" 1
188 1 24 GLY H 1 25 THR H . . 4.500 2.453 1.840 3.296 . 0 0 "[ . 1 . 2]" 1
189 1 24 GLY QA 1 25 THR MG . . 6.300 3.435 3.196 3.572 . 0 0 "[ . 1 . 2]" 1
190 1 24 GLY QA 1 25 THR H . . 4.500 2.893 2.640 3.012 . 0 0 "[ . 1 . 2]" 1
191 1 25 THR HA 1 26 ILE H . . 3.500 2.367 2.234 2.588 . 0 0 "[ . 1 . 2]" 1
192 1 25 THR HB 1 26 ILE H . . 4.500 2.870 2.284 3.374 . 0 0 "[ . 1 . 2]" 1
193 1 25 THR MG 1 26 ILE H . . 6.300 3.945 3.731 4.146 . 0 0 "[ . 1 . 2]" 1
194 1 25 THR HA 1 26 ILE MD . . 6.300 4.626 4.445 4.778 . 0 0 "[ . 1 . 2]" 1
195 1 26 ILE MG 1 27 THR HA . . 6.300 4.043 3.765 4.278 . 0 0 "[ . 1 . 2]" 1
196 1 26 ILE HA 1 27 THR H . . 3.500 2.293 2.242 2.398 . 0 0 "[ . 1 . 2]" 1
197 1 26 ILE HB 1 27 THR H . . 5.800 4.227 3.893 4.424 . 0 0 "[ . 1 . 2]" 1
198 1 26 ILE MG 1 27 THR H . . 6.300 2.890 2.372 3.229 . 0 0 "[ . 1 . 2]" 1
199 1 26 ILE HA 1 27 THR MG . . 6.300 3.648 3.441 3.821 . 0 0 "[ . 1 . 2]" 1
200 1 27 THR HA 1 28 ILE HB . . 5.800 4.565 4.327 4.735 . 0 0 "[ . 1 . 2]" 1
201 1 27 THR HB 1 28 ILE HB . . 5.800 4.650 4.346 4.889 . 0 0 "[ . 1 . 2]" 1
202 1 27 THR HA 1 28 ILE H . . 4.500 2.381 2.282 2.456 . 0 0 "[ . 1 . 2]" 1
203 1 27 THR MG 1 28 ILE H . . 6.300 3.799 3.692 3.887 . 0 0 "[ . 1 . 2]" 1
204 1 27 THR HA 1 28 ILE MG . . 6.300 4.148 3.832 4.462 . 0 0 "[ . 1 . 2]" 1
205 1 27 THR HB 1 28 ILE MG . . 5.000 3.083 2.815 3.400 . 0 0 "[ . 1 . 2]" 1
206 1 27 THR MG 1 28 ILE MG . . 6.800 4.376 4.106 4.670 . 0 0 "[ . 1 . 2]" 1
207 1 28 ILE H 1 29 LYS H . . 4.500 2.864 2.713 2.981 . 0 0 "[ . 1 . 2]" 1
208 1 28 ILE MG 1 29 LYS HA . . 5.000 3.481 3.355 3.672 . 0 0 "[ . 1 . 2]" 1
209 1 28 ILE HA 1 29 LYS H . . 4.500 3.552 3.513 3.571 . 0 0 "[ . 1 . 2]" 1
210 1 28 ILE MG 1 29 LYS H . . 4.000 2.260 2.080 2.396 . 0 0 "[ . 1 . 2]" 1
211 1 28 ILE MG 1 29 LYS QB . . 6.300 3.771 2.955 3.975 . 0 0 "[ . 1 . 2]" 1
212 1 28 ILE MG 1 29 LYS QE . . 6.300 3.835 2.571 4.714 . 0 0 "[ . 1 . 2]" 1
213 1 28 ILE MG 1 29 LYS QG . . 6.300 2.594 2.290 4.091 . 0 0 "[ . 1 . 2]" 1
214 1 29 LYS H 1 30 ASP QB . . 5.800 4.664 4.582 4.857 . 0 0 "[ . 1 . 2]" 1
215 1 29 LYS QB 1 30 ASP HA . . 5.800 4.002 3.761 4.594 . 0 0 "[ . 1 . 2]" 1
216 1 29 LYS HA 1 30 ASP H . . 4.500 3.585 3.555 3.605 . 0 0 "[ . 1 . 2]" 1
217 1 29 LYS H 1 30 ASP H . . 3.500 2.664 2.602 2.732 . 0 0 "[ . 1 . 2]" 1
218 1 29 LYS QB 1 30 ASP H . . 5.800 2.591 2.242 3.615 . 0 0 "[ . 1 . 2]" 1
219 1 29 LYS QG 1 30 ASP H . . 4.500 3.810 2.214 4.021 . 0 0 "[ . 1 . 2]" 1
220 1 30 ASP H 1 31 LEU HG . . 4.500 4.437 4.168 4.517 0.017 13 0 "[ . 1 . 2]" 1
221 1 30 ASP H 1 31 LEU MD1 . . 6.300 5.244 5.083 5.283 . 0 0 "[ . 1 . 2]" 1
222 1 30 ASP H 1 31 LEU H . . 4.500 2.709 2.555 2.812 . 0 0 "[ . 1 . 2]" 1
223 1 30 ASP QB 1 31 LEU H . . 5.800 2.392 2.288 2.527 . 0 0 "[ . 1 . 2]" 1
224 1 31 LEU HA 1 32 ARG H . . 4.500 3.631 3.609 3.649 . 0 0 "[ . 1 . 2]" 1
225 1 31 LEU H 1 32 ARG H . . 4.500 2.887 2.821 2.941 . 0 0 "[ . 1 . 2]" 1
226 1 31 LEU QB 1 32 ARG H . . 4.500 2.483 2.343 2.566 . 0 0 "[ . 1 . 2]" 1
227 1 31 LEU MD1 1 32 ARG H . . 6.300 4.356 4.211 4.459 . 0 0 "[ . 1 . 2]" 1
228 1 32 ARG H 1 33 ARG H . . 3.500 2.832 2.772 2.881 . 0 0 "[ . 1 . 2]" 1
229 1 32 ARG HA 1 33 ARG H . . 4.500 3.607 3.580 3.637 . 0 0 "[ . 1 . 2]" 1
230 1 32 ARG QB 1 33 ARG H . . 3.500 2.558 2.402 2.731 . 0 0 "[ . 1 . 2]" 1
231 1 33 ARG H 1 34 VAL MG2 . . 6.300 4.489 4.313 4.615 . 0 0 "[ . 1 . 2]" 1
232 1 33 ARG HA 1 34 VAL H . . 4.500 3.593 3.552 3.621 . 0 0 "[ . 1 . 2]" 1
233 1 33 ARG H 1 34 VAL H . . 4.500 2.911 2.825 3.011 . 0 0 "[ . 1 . 2]" 1
234 1 33 ARG QB 1 34 VAL H . . 3.500 2.359 2.222 2.507 . 0 0 "[ . 1 . 2]" 1
235 1 33 ARG QG 1 34 VAL H . . 4.500 3.529 3.061 4.039 . 0 0 "[ . 1 . 2]" 1
236 1 33 ARG QB 1 34 VAL MG2 . . 6.300 3.163 2.787 3.477 . 0 0 "[ . 1 . 2]" 1
237 1 33 ARG QG 1 34 VAL MG2 . . 6.300 3.928 3.222 4.734 . 0 0 "[ . 1 . 2]" 1
238 1 34 VAL HB 1 35 ALA MB . . 6.300 3.860 3.709 4.068 . 0 0 "[ . 1 . 2]" 1
239 1 34 VAL MG1 1 35 ALA HA . . 6.300 3.226 3.023 3.441 . 0 0 "[ . 1 . 2]" 1
240 1 34 VAL HA 1 35 ALA H . . 4.500 3.597 3.566 3.622 . 0 0 "[ . 1 . 2]" 1
241 1 34 VAL HB 1 35 ALA H . . 3.500 2.483 2.349 2.725 . 0 0 "[ . 1 . 2]" 1
242 1 34 VAL H 1 35 ALA H . . 3.500 2.865 2.804 2.949 . 0 0 "[ . 1 . 2]" 1
243 1 34 VAL MG1 1 35 ALA H . . 6.300 3.144 2.918 3.359 . 0 0 "[ . 1 . 2]" 1
244 1 34 VAL MG2 1 35 ALA H . . 6.300 3.911 3.800 4.016 . 0 0 "[ . 1 . 2]" 1
245 1 34 VAL MG1 1 35 ALA MB . . 6.800 3.753 3.463 3.991 . 0 0 "[ . 1 . 2]" 1
246 1 35 ALA H 1 36 LYS H . . 3.500 2.842 2.730 2.941 . 0 0 "[ . 1 . 2]" 1
247 1 35 ALA HA 1 36 LYS H . . 4.500 3.583 3.559 3.630 . 0 0 "[ . 1 . 2]" 1
248 1 35 ALA MB 1 36 LYS H . . 5.000 2.378 2.171 2.503 . 0 0 "[ . 1 . 2]" 1
249 1 35 ALA MB 1 36 LYS QB . . 6.300 3.893 3.603 4.268 . 0 0 "[ . 1 . 2]" 1
250 1 36 LYS HA 1 37 GLU H . . 4.500 3.615 3.592 3.634 . 0 0 "[ . 1 . 2]" 1
251 1 36 LYS H 1 37 GLU H . . 3.500 2.896 2.785 3.009 . 0 0 "[ . 1 . 2]" 1
252 1 36 LYS H 1 37 GLU QB . . 5.800 4.832 4.703 5.038 . 0 0 "[ . 1 . 2]" 1
253 1 36 LYS QG 1 37 GLU H . . 5.800 3.636 2.390 4.390 . 0 0 "[ . 1 . 2]" 1
254 1 37 GLU H 1 38 LEU HG . . 5.800 4.631 4.282 4.867 . 0 0 "[ . 1 . 2]" 1
255 1 37 GLU QB 1 38 LEU HG . . 5.800 3.344 2.948 3.592 . 0 0 "[ . 1 . 2]" 1
256 1 37 GLU HA 1 38 LEU H . . 4.500 3.587 3.529 3.616 . 0 0 "[ . 1 . 2]" 1
257 1 37 GLU H 1 38 LEU H . . 3.500 2.818 2.733 2.879 . 0 0 "[ . 1 . 2]" 1
258 1 37 GLU QB 1 38 LEU H . . 4.500 2.711 2.560 2.997 . 0 0 "[ . 1 . 2]" 1
259 1 37 GLU QB 1 38 LEU MD1 . . 6.300 4.485 4.026 4.685 . 0 0 "[ . 1 . 2]" 1
260 1 38 LEU HA 1 39 GLY H . . 4.500 3.398 3.163 3.506 . 0 0 "[ . 1 . 2]" 1
261 1 38 LEU HG 1 39 GLY H . . 4.500 4.537 4.505 4.586 0.086 18 0 "[ . 1 . 2]" 1
262 1 38 LEU H 1 39 GLY H . . 3.500 2.569 2.497 2.621 . 0 0 "[ . 1 . 2]" 1
263 1 38 LEU QB 1 39 GLY H . . 5.800 3.132 2.826 3.612 . 0 0 "[ . 1 . 2]" 1
264 1 38 LEU MD1 1 39 GLY H . . 6.300 4.892 4.545 5.264 . 0 0 "[ . 1 . 2]" 1
265 1 39 GLY H 1 40 GLU H . . 3.500 2.463 2.178 3.132 . 0 0 "[ . 1 . 2]" 1
266 1 39 GLY H 1 40 GLU QG . . 5.800 4.313 3.968 4.966 . 0 0 "[ . 1 . 2]" 1
267 1 39 GLY QA 1 40 GLU H . . 3.500 2.920 2.817 3.001 . 0 0 "[ . 1 . 2]" 1
268 1 40 GLU HA 1 41 ASN HA . . 4.500 4.516 4.507 4.536 0.036 4 0 "[ . 1 . 2]" 1
269 1 40 GLU H 1 41 ASN HA . . 5.800 5.132 4.750 5.474 . 0 0 "[ . 1 . 2]" 1
270 1 40 GLU HA 1 41 ASN H . . 4.500 2.267 2.176 2.448 . 0 0 "[ . 1 . 2]" 1
271 1 40 GLU H 1 41 ASN H . . 5.800 4.119 3.987 4.472 . 0 0 "[ . 1 . 2]" 1
272 1 40 GLU QB 1 41 ASN H . . 5.800 3.718 2.262 3.847 . 0 0 "[ . 1 . 2]" 1
273 1 40 GLU QG 1 41 ASN H . . 5.800 4.775 4.235 4.976 . 0 0 "[ . 1 . 2]" 1
274 1 41 ASN H 1 42 LEU H . . 5.800 3.803 3.643 4.058 . 0 0 "[ . 1 . 2]" 1
275 1 41 ASN HA 1 42 LEU H . . 3.500 2.376 2.181 2.472 . 0 0 "[ . 1 . 2]" 1
276 1 41 ASN QB 1 42 LEU H . . 5.800 3.950 3.874 4.094 . 0 0 "[ . 1 . 2]" 1
277 1 42 LEU H 1 43 THR H . . 5.800 4.627 4.310 4.693 . 0 0 "[ . 1 . 2]" 1
278 1 42 LEU MD2 1 43 THR MG . . 6.800 4.586 4.451 4.736 . 0 0 "[ . 1 . 2]" 1
279 1 42 LEU HA 1 43 THR H . . 4.500 2.211 2.130 2.292 . 0 0 "[ . 1 . 2]" 1
280 1 42 LEU HG 1 43 THR H . . 5.800 4.993 4.867 5.123 . 0 0 "[ . 1 . 2]" 1
281 1 42 LEU QB 1 43 THR H . . 4.500 3.015 2.728 3.471 . 0 0 "[ . 1 . 2]" 1
282 1 42 LEU MD2 1 43 THR H . . 6.300 3.512 3.311 3.668 . 0 0 "[ . 1 . 2]" 1
283 1 42 LEU HA 1 43 THR MG . . 6.300 3.620 3.498 3.735 . 0 0 "[ . 1 . 2]" 1
284 1 43 THR H 1 44 GLU HA . . 5.800 5.776 5.564 5.829 0.029 2 0 "[ . 1 . 2]" 1
285 1 43 THR HA 1 44 GLU H . . 3.500 2.341 2.257 2.404 . 0 0 "[ . 1 . 2]" 1
286 1 43 THR H 1 44 GLU H . . 5.800 4.636 4.568 4.673 . 0 0 "[ . 1 . 2]" 1
287 1 43 THR MG 1 44 GLU H . . 6.300 3.813 3.681 3.928 . 0 0 "[ . 1 . 2]" 1
288 1 44 GLU H 1 45 GLU H . . 4.500 2.824 2.750 2.913 . 0 0 "[ . 1 . 2]" 1
289 1 44 GLU QB 1 45 GLU H . . 3.500 2.602 2.372 2.795 . 0 0 "[ . 1 . 2]" 1
290 1 45 GLU H 1 46 GLU H . . 3.500 2.886 2.795 3.004 . 0 0 "[ . 1 . 2]" 1
291 1 45 GLU QB 1 46 GLU H . . 3.500 2.376 2.314 2.463 . 0 0 "[ . 1 . 2]" 1
292 1 46 GLU H 1 47 LEU H . . 3.500 2.812 2.736 2.874 . 0 0 "[ . 1 . 2]" 1
293 1 46 GLU QB 1 47 LEU H . . 3.500 2.443 2.366 2.531 . 0 0 "[ . 1 . 2]" 1
294 1 47 LEU QB 1 48 GLN H . . 3.500 2.600 2.488 2.697 . 0 0 "[ . 1 . 2]" 1
295 1 47 LEU MD1 1 48 GLN H . . 6.300 4.534 4.309 4.677 . 0 0 "[ . 1 . 2]" 1
296 1 48 GLN HA 1 49 GLU H . . 4.500 3.563 3.536 3.597 . 0 0 "[ . 1 . 2]" 1
297 1 48 GLN H 1 49 GLU H . . 3.500 2.767 2.721 2.831 . 0 0 "[ . 1 . 2]" 1
298 1 49 GLU HA 1 50 MET H . . 4.500 3.596 3.575 3.619 . 0 0 "[ . 1 . 2]" 1
299 1 49 GLU H 1 50 MET H . . 3.500 2.763 2.695 2.874 . 0 0 "[ . 1 . 2]" 1
300 1 49 GLU QB 1 50 MET H . . 4.500 2.506 2.409 2.575 . 0 0 "[ . 1 . 2]" 1
301 1 50 MET HA 1 51 ILE H . . 4.500 3.561 3.531 3.590 . 0 0 "[ . 1 . 2]" 1
302 1 50 MET H 1 51 ILE H . . 3.500 2.795 2.733 2.892 . 0 0 "[ . 1 . 2]" 1
303 1 50 MET QB 1 51 ILE H . . 3.500 2.329 2.239 2.454 . 0 0 "[ . 1 . 2]" 1
304 1 50 MET QG 1 51 ILE H . . 5.800 4.016 3.904 4.129 . 0 0 "[ . 1 . 2]" 1
305 1 51 ILE MG 1 52 ALA HA . . 5.000 3.007 2.898 3.108 . 0 0 "[ . 1 . 2]" 1
306 1 51 ILE HA 1 52 ALA H . . 4.500 3.603 3.576 3.632 . 0 0 "[ . 1 . 2]" 1
307 1 51 ILE HB 1 52 ALA H . . 3.500 2.325 2.214 2.531 . 0 0 "[ . 1 . 2]" 1
308 1 51 ILE H 1 52 ALA H . . 3.500 2.944 2.859 3.032 . 0 0 "[ . 1 . 2]" 1
309 1 51 ILE MG 1 52 ALA H . . 6.300 2.929 2.787 3.230 . 0 0 "[ . 1 . 2]" 1
310 1 51 ILE HB 1 52 ALA MB . . 6.300 3.741 3.574 4.057 . 0 0 "[ . 1 . 2]" 1
311 1 51 ILE MG 1 52 ALA MB . . 6.800 3.486 3.247 3.684 . 0 0 "[ . 1 . 2]" 1
312 1 52 ALA HA 1 53 GLU H . . 4.500 3.578 3.438 3.629 . 0 0 "[ . 1 . 2]" 1
313 1 52 ALA H 1 53 GLU H . . 3.500 2.833 2.740 2.930 . 0 0 "[ . 1 . 2]" 1
314 1 52 ALA MB 1 53 GLU H . . 5.000 2.683 2.516 3.246 . 0 0 "[ . 1 . 2]" 1
315 1 53 GLU H 1 54 ALA MB . . 6.300 4.448 4.202 4.589 . 0 0 "[ . 1 . 2]" 1
316 1 53 GLU HA 1 54 ALA H . . 4.500 3.584 3.560 3.602 . 0 0 "[ . 1 . 2]" 1
317 1 53 GLU H 1 54 ALA H . . 3.500 2.761 2.350 2.874 . 0 0 "[ . 1 . 2]" 1
318 1 53 GLU QB 1 54 ALA H . . 4.500 2.629 2.430 2.808 . 0 0 "[ . 1 . 2]" 1
319 1 53 GLU QG 1 54 ALA H . . 5.800 3.916 3.267 4.595 . 0 0 "[ . 1 . 2]" 1
320 1 54 ALA H 1 55 ASP H . . 3.500 2.449 2.288 2.653 . 0 0 "[ . 1 . 2]" 1
321 1 54 ALA H 1 55 ASP QB . . 5.800 4.149 3.938 4.679 . 0 0 "[ . 1 . 2]" 1
322 1 54 ALA MB 1 55 ASP HA . . 6.300 3.711 3.560 3.809 . 0 0 "[ . 1 . 2]" 1
323 1 54 ALA MB 1 55 ASP QB . . 6.300 3.589 3.346 4.119 . 0 0 "[ . 1 . 2]" 1
324 1 54 ALA MB 1 55 ASP H . . 6.300 2.514 2.197 2.784 . 0 0 "[ . 1 . 2]" 1
325 1 55 ASP HA 1 56 ARG QG . . 5.800 4.079 3.757 4.424 . 0 0 "[ . 1 . 2]" 1
326 1 55 ASP HA 1 56 ARG H . . 3.500 2.219 2.156 2.327 . 0 0 "[ . 1 . 2]" 1
327 1 55 ASP H 1 56 ARG H . . 5.800 4.435 4.295 4.673 . 0 0 "[ . 1 . 2]" 1
328 1 55 ASP QB 1 56 ARG H . . 4.500 3.798 2.577 4.025 . 0 0 "[ . 1 . 2]" 1
329 1 56 ARG H 1 57 ASN H . . 3.500 2.502 2.024 3.360 . 0 0 "[ . 1 . 2]" 1
330 1 56 ARG HA 1 57 ASN H . . 4.500 3.272 2.507 3.522 . 0 0 "[ . 1 . 2]" 1
331 1 56 ARG QB 1 57 ASN H . . 5.800 3.885 3.658 4.046 . 0 0 "[ . 1 . 2]" 1
332 1 56 ARG QG 1 57 ASN QD . . 5.800 3.990 2.306 4.617 . 0 0 "[ . 1 . 2]" 1
333 1 57 ASN H 1 58 ASP HA . . 4.500 4.244 3.960 4.538 0.038 12 0 "[ . 1 . 2]" 1
334 1 57 ASN H 1 58 ASP QB . . 5.800 4.528 3.649 5.037 . 0 0 "[ . 1 . 2]" 1
335 1 57 ASN HA 1 58 ASP H . . 4.500 3.427 3.278 3.556 . 0 0 "[ . 1 . 2]" 1
336 1 57 ASN QB 1 58 ASP H . . 5.800 3.594 2.139 4.000 . 0 0 "[ . 1 . 2]" 1
337 1 57 ASN HA 1 58 ASP QB . . 5.800 4.231 4.010 4.580 . 0 0 "[ . 1 . 2]" 1
338 1 58 ASP HA 1 59 ASP H . . 3.500 2.878 2.480 3.134 . 0 0 "[ . 1 . 2]" 1
339 1 58 ASP H 1 59 ASP H . . 3.500 2.714 1.874 3.264 . 0 0 "[ . 1 . 2]" 1
340 1 58 ASP QB 1 59 ASP H . . 5.800 4.005 3.831 4.136 . 0 0 "[ . 1 . 2]" 1
341 1 59 ASP H 1 60 ASN HA . . 4.500 4.516 4.369 4.575 0.075 13 0 "[ . 1 . 2]" 1
342 1 59 ASP H 1 60 ASN H . . 3.500 2.400 2.191 2.614 . 0 0 "[ . 1 . 2]" 1
343 1 59 ASP QB 1 60 ASN H . . 5.800 3.861 3.559 4.013 . 0 0 "[ . 1 . 2]" 1
344 1 59 ASP HA 1 60 ASN QB . . 5.800 4.210 3.956 4.905 . 0 0 "[ . 1 . 2]" 1
345 1 60 ASN HA 1 61 GLU HA . . 4.500 4.447 4.280 4.555 0.055 14 0 "[ . 1 . 2]" 1
346 1 60 ASN H 1 61 GLU H . . 3.500 2.518 1.939 2.959 . 0 0 "[ . 1 . 2]" 1
347 1 60 ASN H 1 61 GLU QB . . 5.800 4.844 4.226 5.178 . 0 0 "[ . 1 . 2]" 1
348 1 60 ASN HA 1 61 GLU H . . 3.500 3.009 2.649 3.423 . 0 0 "[ . 1 . 2]" 1
349 1 60 ASN QB 1 61 GLU H . . 5.800 3.959 3.837 4.073 . 0 0 "[ . 1 . 2]" 1
350 1 61 GLU QB 1 62 ILE HA . . 5.800 4.311 3.990 4.612 . 0 0 "[ . 1 . 2]" 1
351 1 61 GLU HA 1 62 ILE H . . 4.500 2.296 2.126 2.504 . 0 0 "[ . 1 . 2]" 1
352 1 61 GLU H 1 62 ILE H . . 5.800 4.347 4.211 4.457 . 0 0 "[ . 1 . 2]" 1
353 1 61 GLU QB 1 62 ILE H . . 5.800 3.019 2.284 3.420 . 0 0 "[ . 1 . 2]" 1
354 1 61 GLU QG 1 62 ILE H . . 5.800 4.336 4.095 4.548 . 0 0 "[ . 1 . 2]" 1
355 1 61 GLU HA 1 62 ILE QG . . 5.800 3.688 3.339 3.969 . 0 0 "[ . 1 . 2]" 1
356 1 62 ILE H 1 63 ASP H . . 5.800 4.296 3.903 4.445 . 0 0 "[ . 1 . 2]" 1
357 1 62 ILE MG 1 63 ASP HA . . 6.300 4.354 4.148 4.689 . 0 0 "[ . 1 . 2]" 1
358 1 62 ILE HA 1 63 ASP H . . 3.500 2.209 2.165 2.256 . 0 0 "[ . 1 . 2]" 1
359 1 62 ILE MD 1 63 ASP H . . 6.300 4.377 3.957 5.006 . 0 0 "[ . 1 . 2]" 1
360 1 62 ILE QG 1 63 ASP H . . 5.800 4.894 4.663 4.948 . 0 0 "[ . 1 . 2]" 1
361 1 62 ILE MG 1 63 ASP H . . 6.300 3.001 2.732 3.388 . 0 0 "[ . 1 . 2]" 1
362 1 62 ILE HA 1 63 ASP QB . . 5.800 4.502 4.270 4.639 . 0 0 "[ . 1 . 2]" 1
363 1 63 ASP HA 1 64 GLU HA . . 5.800 4.290 4.168 4.393 . 0 0 "[ . 1 . 2]" 1
364 1 63 ASP H 1 64 GLU H . . 5.800 4.582 4.545 4.635 . 0 0 "[ . 1 . 2]" 1
365 1 63 ASP HA 1 64 GLU H . . 3.500 2.507 2.426 2.571 . 0 0 "[ . 1 . 2]" 1
366 1 63 ASP QB 1 64 GLU H . . 3.500 2.390 2.203 2.691 . 0 0 "[ . 1 . 2]" 1
367 1 64 GLU HA 1 65 ASP H . . 4.500 3.613 3.582 3.640 . 0 0 "[ . 1 . 2]" 1
368 1 64 GLU H 1 65 ASP H . . 3.500 2.980 2.908 3.057 . 0 0 "[ . 1 . 2]" 1
369 1 64 GLU QB 1 65 ASP H . . 3.500 2.579 2.489 2.799 . 0 0 "[ . 1 . 2]" 1
370 1 64 GLU QG 1 65 ASP H . . 5.800 4.190 3.851 4.517 . 0 0 "[ . 1 . 2]" 1
371 1 65 ASP H 1 66 GLU H . . 3.500 2.858 2.775 2.956 . 0 0 "[ . 1 . 2]" 1
372 1 65 ASP H 1 66 GLU QB . . 5.800 4.646 4.539 4.756 . 0 0 "[ . 1 . 2]" 1
373 1 65 ASP H 1 66 GLU QG . . 5.800 4.629 4.473 4.799 . 0 0 "[ . 1 . 2]" 1
374 1 65 ASP HA 1 66 GLU H . . 4.500 3.590 3.559 3.608 . 0 0 "[ . 1 . 2]" 1
375 1 65 ASP QB 1 66 GLU H . . 4.500 2.503 2.277 3.444 . 0 0 "[ . 1 . 2]" 1
376 1 66 GLU QB 1 67 PHE H . . 4.500 2.477 2.422 2.587 . 0 0 "[ . 1 . 2]" 1
377 1 67 PHE H 1 68 ILE HB . . 4.500 4.534 4.514 4.545 0.045 10 0 "[ . 1 . 2]" 1
378 1 67 PHE H 1 68 ILE H . . 3.500 2.752 2.704 2.815 . 0 0 "[ . 1 . 2]" 1
379 1 67 PHE H 1 68 ILE QG . . 5.800 4.676 4.547 4.787 . 0 0 "[ . 1 . 2]" 1
380 1 67 PHE HA 1 68 ILE H . . 5.800 3.595 3.571 3.611 . 0 0 "[ . 1 . 2]" 1
381 1 67 PHE QB 1 68 ILE H . . 4.500 2.385 2.295 2.457 . 0 0 "[ . 1 . 2]" 1
382 1 67 PHE QD 1 68 ILE H . . 5.800 3.736 3.448 3.930 . 0 0 "[ . 1 . 2]" 1
383 1 68 ILE H 1 69 ARG H . . 3.500 2.916 2.795 3.016 . 0 0 "[ . 1 . 2]" 1
384 1 68 ILE MG 1 69 ARG HA . . 5.000 3.195 2.979 3.343 . 0 0 "[ . 1 . 2]" 1
385 1 68 ILE HA 1 69 ARG H . . 4.500 3.594 3.562 3.636 . 0 0 "[ . 1 . 2]" 1
386 1 68 ILE MG 1 69 ARG H . . 6.300 2.974 2.877 3.097 . 0 0 "[ . 1 . 2]" 1
387 1 69 ARG H 1 70 ILE HA . . 5.800 5.487 5.419 5.532 . 0 0 "[ . 1 . 2]" 1
388 1 69 ARG H 1 70 ILE MG . . 6.300 4.506 4.423 4.619 . 0 0 "[ . 1 . 2]" 1
389 1 69 ARG H 1 70 ILE H . . 3.500 3.046 2.940 3.137 . 0 0 "[ . 1 . 2]" 1
390 1 70 ILE H 1 71 MET H . . 3.500 2.733 2.668 2.795 . 0 0 "[ . 1 . 2]" 1
391 1 70 ILE MG 1 71 MET HA . . 6.300 3.494 3.412 3.601 . 0 0 "[ . 1 . 2]" 1
392 1 70 ILE QG 1 71 MET H . . 4.500 3.922 3.755 4.006 . 0 0 "[ . 1 . 2]" 1
393 1 70 ILE MG 1 71 MET H . . 6.300 2.462 2.334 2.548 . 0 0 "[ . 1 . 2]" 1
394 1 70 ILE MD 1 71 MET ME . . 6.800 4.611 3.969 4.760 . 0 0 "[ . 1 . 2]" 1
395 1 70 ILE QG 1 71 MET ME . . 6.300 3.647 2.973 4.166 . 0 0 "[ . 1 . 2]" 1
396 1 70 ILE MG 1 71 MET ME . . 6.800 2.922 2.328 3.564 . 0 0 "[ . 1 . 2]" 1
397 1 71 MET QB 1 72 LYS H . . 3.500 2.690 2.570 2.982 . 0 0 "[ . 1 . 2]" 1
398 1 72 LYS H 1 73 LYS H . . 3.500 2.753 2.662 2.898 . 0 0 "[ . 1 . 2]" 1
399 1 73 LYS QB 1 74 THR HA . . 5.800 3.974 3.663 4.233 . 0 0 "[ . 1 . 2]" 1
400 1 73 LYS HA 1 74 THR H . . 4.500 3.556 3.518 3.590 . 0 0 "[ . 1 . 2]" 1
401 1 73 LYS QB 1 74 THR H . . 4.500 2.336 2.162 2.624 . 0 0 "[ . 1 . 2]" 1
402 1 73 LYS QG 1 74 THR H . . 4.500 3.686 3.083 4.036 . 0 0 "[ . 1 . 2]" 1
403 1 73 LYS QB 1 74 THR MG . . 6.300 4.633 4.449 4.710 . 0 0 "[ . 1 . 2]" 1
404 1 74 THR H 1 75 SER H . . 5.800 2.750 2.505 2.889 . 0 0 "[ . 1 . 2]" 1
405 1 74 THR MG 1 75 SER H . . 6.300 4.333 4.243 4.405 . 0 0 "[ . 1 . 2]" 1
406 1 75 SER HA 1 76 LEU H . . 3.500 2.841 2.800 2.938 . 0 0 "[ . 1 . 2]" 1
407 1 75 SER H 1 76 LEU H . . 4.500 2.726 2.644 2.894 . 0 0 "[ . 1 . 2]" 1
408 1 76 LEU QB 1 77 PHE QD . . 5.800 3.433 3.198 3.660 . 0 0 "[ . 1 . 2]" 1
409 1 76 LEU H 1 77 PHE H . . 3.500 2.210 2.094 2.350 . 0 0 "[ . 1 . 2]" 1
410 1 76 LEU QB 1 77 PHE H . . 3.500 2.861 2.660 3.069 . 0 0 "[ . 1 . 2]" 1
411 1 76 LEU MD1 1 77 PHE H . . 6.300 4.798 4.389 5.089 . 0 0 "[ . 1 . 2]" 1
412 2 2 LYS HA 2 3 ARG H . . 4.600 2.792 2.170 3.587 . 0 0 "[ . 1 . 2]" 1
413 2 3 ARG HA 2 4 GLU H . . 4.600 3.235 2.140 3.625 . 0 0 "[ . 1 . 2]" 1
414 2 3 ARG QB 2 4 GLU H . . 6.000 3.119 2.184 4.016 . 0 0 "[ . 1 . 2]" 1
415 2 4 GLU HA 2 5 LEU H . . 4.600 3.575 3.517 3.608 . 0 0 "[ . 1 . 2]" 1
416 2 4 GLU QB 2 5 LEU H . . 4.600 2.589 1.999 3.580 . 0 0 "[ . 1 . 2]" 1
417 2 4 GLU QG 2 5 LEU H . . 6.000 4.116 2.760 4.707 . 0 0 "[ . 1 . 2]" 1
418 2 5 LEU HA 2 6 ILE H . . 4.600 3.375 2.315 3.622 . 0 0 "[ . 1 . 2]" 1
419 2 5 LEU HG 2 6 ILE H . . 4.600 4.180 2.814 4.664 0.064 4 0 "[ . 1 . 2]" 1
420 2 5 LEU H 2 6 ILE H . . 4.600 2.961 2.511 4.349 . 0 0 "[ . 1 . 2]" 1
421 2 5 LEU QB 2 6 ILE H . . 4.600 2.894 2.185 3.891 . 0 0 "[ . 1 . 2]" 1
422 2 5 LEU QD 2 6 ILE H . . 6.500 3.824 2.111 4.387 . 0 0 "[ . 1 . 2]" 1
423 2 6 ILE HA 2 7 GLU H . . 4.600 3.566 3.435 3.616 . 0 0 "[ . 1 . 2]" 1
424 2 6 ILE HB 2 7 GLU H . . 4.600 2.549 2.252 3.908 . 0 0 "[ . 1 . 2]" 1
425 2 6 ILE MG 2 7 GLU HA . . 5.100 3.627 2.942 3.921 . 0 0 "[ . 1 . 2]" 1
426 2 6 ILE MG 2 7 GLU H . . 6.500 3.372 2.654 3.652 . 0 0 "[ . 1 . 2]" 1
427 2 6 ILE H 2 7 GLU H . . 6.000 2.512 2.155 3.156 . 0 0 "[ . 1 . 2]" 1
428 2 7 GLU H 2 8 SER H . . 4.600 2.875 2.734 3.037 . 0 0 "[ . 1 . 2]" 1
429 2 7 GLU HA 2 8 SER H . . 4.600 3.567 3.515 3.611 . 0 0 "[ . 1 . 2]" 1
430 2 7 GLU QB 2 8 SER H . . 4.600 2.738 2.439 3.651 . 0 0 "[ . 1 . 2]" 1
431 2 7 GLU QG 2 8 SER H . . 6.000 3.815 2.206 4.498 . 0 0 "[ . 1 . 2]" 1
432 2 10 TRP H 2 11 HIS H . . 4.600 2.767 2.672 2.914 . 0 0 "[ . 1 . 2]" 1
433 2 11 HIS HA 2 12 ARG H . . 4.600 3.596 3.503 3.644 . 0 0 "[ . 1 . 2]" 1
434 2 11 HIS H 2 12 ARG H . . 4.600 2.965 2.703 3.094 . 0 0 "[ . 1 . 2]" 1
435 2 11 HIS QB 2 12 ARG H . . 4.600 2.586 2.187 3.568 . 0 0 "[ . 1 . 2]" 1
436 2 12 ARG H 2 13 LEU H . . 4.600 2.881 2.705 3.085 . 0 0 "[ . 1 . 2]" 1
437 2 13 LEU H 2 14 LEU H . . 4.600 2.866 2.493 3.126 . 0 0 "[ . 1 . 2]" 1
438 2 13 LEU HA 2 14 LEU H . . 4.600 3.572 3.506 3.622 . 0 0 "[ . 1 . 2]" 1
439 2 13 LEU HG 2 14 LEU H . . 4.600 4.500 4.042 4.670 0.070 3 0 "[ . 1 . 2]" 1
440 2 13 LEU QD 2 14 LEU H . . 6.500 3.983 3.187 4.303 . 0 0 "[ . 1 . 2]" 1
441 2 14 LEU H 2 15 PHE H . . 4.600 2.583 2.236 2.842 . 0 0 "[ . 1 . 2]" 1
442 2 14 LEU QB 2 15 PHE H . . 4.600 2.411 2.183 2.735 . 0 0 "[ . 1 . 2]" 1
443 2 14 LEU QB 2 15 PHE QD . . 6.000 2.719 2.280 3.162 . 0 0 "[ . 1 . 2]" 1
444 2 14 LEU HA 2 15 PHE H . . 4.600 3.600 3.531 3.676 . 0 0 "[ . 1 . 2]" 1
445 2 14 LEU HG 2 15 PHE H . . 4.600 4.636 4.463 4.730 0.130 18 0 "[ . 1 . 2]" 1
446 2 14 LEU QD 2 15 PHE H . . 6.500 3.853 3.412 4.229 . 0 0 "[ . 1 . 2]" 1
447 2 14 LEU QB 2 15 PHE QE . . 4.600 3.550 3.136 3.683 . 0 0 "[ . 1 . 2]" 1
448 2 14 LEU QD 2 15 PHE QE . . 6.500 3.756 2.872 4.308 . 0 0 "[ . 1 . 2]" 1
449 2 15 PHE H 2 16 HIS H . . 4.600 3.089 2.584 3.761 . 0 0 "[ . 1 . 2]" 1
450 2 15 PHE QB 2 16 HIS H . . 4.600 3.362 2.650 3.932 . 0 0 "[ . 1 . 2]" 1
451 2 15 PHE QD 2 16 HIS H . . 6.000 4.697 4.506 5.079 . 0 0 "[ . 1 . 2]" 1
452 2 16 HIS HA 2 17 ASP H . . 6.000 3.262 2.327 3.643 . 0 0 "[ . 1 . 2]" 1
453 2 17 ASP HA 2 18 LYS H . . 4.600 3.001 2.155 3.593 . 0 0 "[ . 1 . 2]" 1
454 2 17 ASP QB 2 18 LYS H . . 4.600 3.283 2.050 4.065 . 0 0 "[ . 1 . 2]" 1
455 2 18 LYS HA 2 19 LYS H . . 4.600 2.852 2.211 3.602 . 0 0 "[ . 1 . 2]" 1
456 2 18 LYS QB 2 19 LYS H . . 4.600 3.337 2.212 4.073 . 0 0 "[ . 1 . 2]" 1
457 2 18 LYS QG 2 19 LYS H . . 6.000 4.270 3.766 4.897 . 0 0 "[ . 1 . 2]" 1
458 1 8 ARG HA 1 11 ILE MD . . 5.000 2.380 2.188 2.606 . 0 0 "[ . 1 . 2]" 1
459 1 7 SER HA 1 9 GLU H . . 5.800 4.361 3.799 4.978 . 0 0 "[ . 1 . 2]" 1
460 1 9 GLU HA 1 12 LEU HG . . 4.500 4.474 4.361 4.536 0.036 8 0 "[ . 1 . 2]" 1
461 1 9 GLU HA 1 12 LEU QB . . 3.500 2.644 2.478 2.752 . 0 0 "[ . 1 . 2]" 1
462 1 9 GLU HA 1 12 LEU MD1 . . 6.300 4.317 4.145 4.476 . 0 0 "[ . 1 . 2]" 1
463 1 7 SER HA 1 10 GLU H . . 5.800 3.525 3.069 3.906 . 0 0 "[ . 1 . 2]" 1
464 1 7 SER HA 1 10 GLU QB . . 4.500 3.007 2.599 4.088 . 0 0 "[ . 1 . 2]" 1
465 1 7 SER QB 1 10 GLU QB . . 5.800 3.962 2.126 4.604 . 0 0 "[ . 1 . 2]" 1
466 1 7 SER HA 1 10 GLU QG . . 4.500 3.263 2.684 4.030 . 0 0 "[ . 1 . 2]" 1
467 1 10 GLU HA 1 13 LYS QE . . 4.500 3.356 2.147 4.035 . 0 0 "[ . 1 . 2]" 1
468 1 7 SER HA 1 11 ILE MD . . 6.300 4.198 3.806 5.120 . 0 0 "[ . 1 . 2]" 1
469 1 7 SER QB 1 11 ILE MD . . 6.300 2.809 2.245 3.945 . 0 0 "[ . 1 . 2]" 1
470 1 8 ARG HA 1 11 ILE HB . . 3.500 2.540 2.248 2.763 . 0 0 "[ . 1 . 2]" 1
471 1 8 ARG HA 1 11 ILE H . . 4.500 3.707 3.412 3.991 . 0 0 "[ . 1 . 2]" 1
472 1 8 ARG HA 1 11 ILE MG . . 6.300 3.768 3.555 3.982 . 0 0 "[ . 1 . 2]" 1
473 1 8 ARG QG 1 12 LEU MD2 . . 6.300 4.447 3.931 4.685 . 0 0 "[ . 1 . 2]" 1
474 1 9 GLU HA 1 12 LEU H . . 4.500 3.371 3.178 3.557 . 0 0 "[ . 1 . 2]" 1
475 1 12 LEU HA 1 15 PHE QB . . 3.500 2.295 2.228 2.395 . 0 0 "[ . 1 . 2]" 1
476 1 12 LEU HA 1 15 PHE QD . . 5.800 4.075 3.870 4.241 . 0 0 "[ . 1 . 2]" 1
477 1 12 LEU MD2 1 15 PHE QD . . 6.300 2.702 2.461 3.271 . 0 0 "[ . 1 . 2]" 1
478 1 11 ILE HA 1 13 LYS H . . 5.800 4.692 4.522 4.785 . 0 0 "[ . 1 . 2]" 1
479 1 11 ILE HA 1 14 ALA H . . 4.500 3.623 3.517 3.758 . 0 0 "[ . 1 . 2]" 1
480 1 11 ILE HA 1 14 ALA MB . . 5.000 2.672 2.523 2.782 . 0 0 "[ . 1 . 2]" 1
481 1 11 ILE MG 1 14 ALA MB . . 6.800 3.723 3.600 3.841 . 0 0 "[ . 1 . 2]" 1
482 1 14 ALA HA 1 17 LEU H . . 4.500 3.345 3.140 3.472 . 0 0 "[ . 1 . 2]" 1
483 1 14 ALA MB 1 17 LEU QB . . 6.300 4.393 4.015 4.548 . 0 0 "[ . 1 . 2]" 1
484 1 14 ALA MB 1 18 PHE QE . . 6.300 3.894 3.297 4.190 . 0 0 "[ . 1 . 2]" 1
485 1 11 ILE MG 1 15 PHE H . . 6.300 3.829 3.735 3.908 . 0 0 "[ . 1 . 2]" 1
486 1 12 LEU MD2 1 15 PHE HA . . 6.300 5.059 4.943 5.187 . 0 0 "[ . 1 . 2]" 1
487 1 12 LEU HA 1 15 PHE H . . 4.500 3.201 3.121 3.299 . 0 0 "[ . 1 . 2]" 1
488 1 12 LEU MD2 1 15 PHE QB . . 6.300 2.367 2.278 2.512 . 0 0 "[ . 1 . 2]" 1
489 1 15 PHE HA 1 18 PHE QD . . 5.800 3.704 2.952 4.179 . 0 0 "[ . 1 . 2]" 1
490 1 12 LEU HA 1 16 ARG H . . 5.800 3.932 3.761 4.176 . 0 0 "[ . 1 . 2]" 1
491 1 12 LEU MD2 1 16 ARG H . . 6.300 3.843 3.637 4.191 . 0 0 "[ . 1 . 2]" 1
492 1 12 LEU MD1 1 16 ARG QB . . 6.300 3.541 2.592 3.950 . 0 0 "[ . 1 . 2]" 1
493 1 12 LEU MD1 1 16 ARG QD . . 5.000 3.046 2.250 3.747 . 0 0 "[ . 1 . 2]" 1
494 1 12 LEU MD2 1 16 ARG QD . . 6.300 4.096 3.419 4.687 . 0 0 "[ . 1 . 2]" 1
495 1 13 LYS HA 1 16 ARG H . . 4.500 3.535 3.424 3.655 . 0 0 "[ . 1 . 2]" 1
496 1 14 ALA HA 1 16 ARG H . . 5.800 4.555 4.482 4.630 . 0 0 "[ . 1 . 2]" 1
497 1 14 ALA H 1 16 ARG H . . 5.800 4.405 4.309 4.509 . 0 0 "[ . 1 . 2]" 1
498 1 16 ARG HA 1 19 ASP QB . . 4.500 2.551 2.258 2.869 . 0 0 "[ . 1 . 2]" 1
499 1 14 ALA HA 1 17 LEU HG . . 3.500 2.669 2.627 2.729 . 0 0 "[ . 1 . 2]" 1
500 1 14 ALA MB 1 17 LEU HG . . 6.300 3.676 3.487 3.808 . 0 0 "[ . 1 . 2]" 1
501 1 14 ALA HA 1 17 LEU QB . . 3.500 2.961 2.501 3.143 . 0 0 "[ . 1 . 2]" 1
502 1 14 ALA HA 1 17 LEU MD1 . . 5.000 4.177 4.158 4.200 . 0 0 "[ . 1 . 2]" 1
503 1 14 ALA MB 1 17 LEU MD1 . . 6.800 4.579 4.428 4.669 . 0 0 "[ . 1 . 2]" 1
504 1 14 ALA HA 1 17 LEU MD2 . . 6.300 2.157 2.100 2.188 . 0 0 "[ . 1 . 2]" 1
505 1 14 ALA MB 1 17 LEU MD2 . . 6.800 3.115 2.890 3.243 . 0 0 "[ . 1 . 2]" 1
506 1 15 PHE HA 1 17 LEU H . . 5.800 4.717 4.623 4.784 . 0 0 "[ . 1 . 2]" 1
507 1 15 PHE H 1 17 LEU H . . 5.800 4.239 4.079 4.310 . 0 0 "[ . 1 . 2]" 1
508 1 15 PHE HA 1 18 PHE H . . 5.800 3.753 3.627 3.849 . 0 0 "[ . 1 . 2]" 1
509 1 16 ARG HA 1 19 ASP H . . 5.800 3.242 2.834 3.465 . 0 0 "[ . 1 . 2]" 1
510 1 19 ASP QB 1 22 ASN HA . . 5.800 3.571 3.263 3.842 . 0 0 "[ . 1 . 2]" 1
511 1 21 ASP HA 1 23 SER H . . 5.800 4.814 4.386 5.065 . 0 0 "[ . 1 . 2]" 1
512 1 22 ASN HA 1 24 GLY H . . 4.500 3.180 2.937 3.702 . 0 0 "[ . 1 . 2]" 1
513 1 22 ASN H 1 24 GLY H . . 5.800 4.521 4.130 5.074 . 0 0 "[ . 1 . 2]" 1
514 1 23 SER H 1 25 THR H . . 5.800 3.710 3.246 4.546 . 0 0 "[ . 1 . 2]" 1
515 1 25 THR HB 1 27 THR H . . 5.800 5.503 5.164 5.808 0.008 9 0 "[ . 1 . 2]" 1
516 1 27 THR H 1 30 ASP H . . 5.800 3.208 3.009 3.381 . 0 0 "[ . 1 . 2]" 1
517 1 27 THR H 1 30 ASP QB . . 5.800 2.249 1.954 2.618 . 0 0 "[ . 1 . 2]" 1
518 1 27 THR H 1 31 LEU HG . . 5.800 4.420 3.926 4.883 . 0 0 "[ . 1 . 2]" 1
519 1 27 THR H 1 31 LEU H . . 5.800 4.104 3.671 4.459 . 0 0 "[ . 1 . 2]" 1
520 1 28 ILE HA 1 31 LEU QB . . 4.500 2.675 2.539 2.891 . 0 0 "[ . 1 . 2]" 1
521 1 28 ILE HB 1 31 LEU MD1 . . 6.300 3.918 3.826 4.062 . 0 0 "[ . 1 . 2]" 1
522 1 28 ILE MD 1 31 LEU MD1 . . 6.800 3.706 2.690 4.040 . 0 0 "[ . 1 . 2]" 1
523 1 28 ILE QG 1 31 LEU QB . . 5.800 3.563 3.269 4.285 . 0 0 "[ . 1 . 2]" 1
524 1 28 ILE QG 1 31 LEU MD1 . . 6.300 3.621 2.906 4.343 . 0 0 "[ . 1 . 2]" 1
525 1 28 ILE MG 1 31 LEU MD1 . . 6.800 4.727 4.682 4.748 . 0 0 "[ . 1 . 2]" 1
526 1 27 THR HA 1 29 LYS H . . 5.800 4.241 4.083 4.576 . 0 0 "[ . 1 . 2]" 1
527 1 27 THR MG 1 29 LYS H . . 6.300 4.283 4.059 4.760 . 0 0 "[ . 1 . 2]" 1
528 1 29 LYS H 1 31 LEU MD1 . . 6.300 5.249 5.209 5.274 . 0 0 "[ . 1 . 2]" 1
529 1 26 ILE MG 1 30 ASP HA . . 6.300 4.599 4.303 4.921 . 0 0 "[ . 1 . 2]" 1
530 1 26 ILE MG 1 30 ASP H . . 6.300 4.260 4.096 4.522 . 0 0 "[ . 1 . 2]" 1
531 1 26 ILE HA 1 30 ASP QB . . 5.800 3.077 2.858 3.690 . 0 0 "[ . 1 . 2]" 1
532 1 26 ILE MG 1 30 ASP QB . . 6.300 2.168 1.952 2.382 . 0 0 "[ . 1 . 2]" 1
533 1 27 THR MG 1 30 ASP H . . 6.300 4.164 3.857 4.712 . 0 0 "[ . 1 . 2]" 1
534 1 28 ILE HA 1 30 ASP H . . 5.800 4.472 4.288 4.581 . 0 0 "[ . 1 . 2]" 1
535 1 28 ILE MG 1 30 ASP H . . 6.300 4.459 4.306 4.618 . 0 0 "[ . 1 . 2]" 1
536 1 28 ILE HA 1 31 LEU HG . . 3.500 3.412 3.073 3.524 0.024 6 0 "[ . 1 . 2]" 1
537 1 28 ILE MD 1 31 LEU QB . . 6.300 4.397 3.523 4.686 . 0 0 "[ . 1 . 2]" 1
538 1 28 ILE HA 1 31 LEU MD1 . . 5.000 2.282 2.226 2.349 . 0 0 "[ . 1 . 2]" 1
539 1 28 ILE HA 1 31 LEU MD2 . . 6.300 4.688 4.511 4.762 . 0 0 "[ . 1 . 2]" 1
540 1 31 LEU MD2 1 34 VAL MG2 . . 6.800 3.747 3.306 4.485 . 0 0 "[ . 1 . 2]" 1
541 1 28 ILE HA 1 32 ARG H . . 5.800 3.923 3.735 4.132 . 0 0 "[ . 1 . 2]" 1
542 1 29 LYS HA 1 32 ARG H . . 4.500 3.525 3.251 3.823 . 0 0 "[ . 1 . 2]" 1
543 1 30 ASP HA 1 32 ARG H . . 5.800 4.705 4.591 4.846 . 0 0 "[ . 1 . 2]" 1
544 1 30 ASP H 1 32 ARG H . . 5.800 4.279 4.096 4.377 . 0 0 "[ . 1 . 2]" 1
545 1 32 ARG HA 1 35 ALA H . . 3.500 3.513 3.405 3.549 0.049 13 0 "[ . 1 . 2]" 1
546 1 30 ASP HA 1 33 ARG H . . 4.500 3.581 3.355 3.801 . 0 0 "[ . 1 . 2]" 1
547 1 30 ASP HA 1 33 ARG QB . . 4.500 2.633 2.387 2.862 . 0 0 "[ . 1 . 2]" 1
548 1 33 ARG HA 1 35 ALA H . . 5.800 4.685 4.570 4.807 . 0 0 "[ . 1 . 2]" 1
549 1 30 ASP HA 1 34 VAL MG2 . . 6.300 3.800 3.552 3.988 . 0 0 "[ . 1 . 2]" 1
550 1 30 ASP QB 1 34 VAL MG2 . . 6.300 3.345 3.078 3.624 . 0 0 "[ . 1 . 2]" 1
551 1 31 LEU HA 1 34 VAL HB . . 3.500 2.680 2.373 3.043 . 0 0 "[ . 1 . 2]" 1
552 1 31 LEU MD2 1 34 VAL HB . . 6.300 3.882 3.669 4.235 . 0 0 "[ . 1 . 2]" 1
553 1 31 LEU HA 1 34 VAL MG1 . . 6.300 3.945 3.569 4.331 . 0 0 "[ . 1 . 2]" 1
554 1 31 LEU HA 1 34 VAL MG2 . . 5.000 3.337 2.953 3.972 . 0 0 "[ . 1 . 2]" 1
555 1 34 VAL HA 1 37 GLU QG . . 4.500 3.686 3.111 3.993 . 0 0 "[ . 1 . 2]" 1
556 1 34 VAL HA 1 38 LEU HG . . 5.800 4.199 3.929 4.621 . 0 0 "[ . 1 . 2]" 1
557 1 34 VAL MG1 1 38 LEU HG . . 6.300 3.177 2.792 3.760 . 0 0 "[ . 1 . 2]" 1
558 1 34 VAL MG1 1 38 LEU MD1 . . 5.500 2.385 2.038 2.996 . 0 0 "[ . 1 . 2]" 1
559 1 31 LEU HA 1 35 ALA MB . . 6.300 4.260 4.040 4.659 . 0 0 "[ . 1 . 2]" 1
560 1 32 ARG HA 1 35 ALA MB . . 4.000 2.553 2.427 2.744 . 0 0 "[ . 1 . 2]" 1
561 1 33 ARG H 1 35 ALA H . . 5.800 4.300 4.224 4.418 . 0 0 "[ . 1 . 2]" 1
562 1 32 ARG QG 1 36 LYS H . . 5.800 3.923 3.672 4.150 . 0 0 "[ . 1 . 2]" 1
563 1 34 VAL HA 1 36 LYS H . . 5.800 4.811 4.706 4.950 . 0 0 "[ . 1 . 2]" 1
564 1 34 VAL HA 1 37 GLU H . . 4.500 3.652 3.506 3.788 . 0 0 "[ . 1 . 2]" 1
565 1 34 VAL MG1 1 37 GLU H . . 6.300 4.908 4.773 5.022 . 0 0 "[ . 1 . 2]" 1
566 1 34 VAL HA 1 37 GLU QB . . 3.500 2.768 2.462 3.062 . 0 0 "[ . 1 . 2]" 1
567 1 34 VAL MG1 1 37 GLU QB . . 6.300 3.967 3.689 4.321 . 0 0 "[ . 1 . 2]" 1
568 1 35 ALA HA 1 37 GLU H . . 5.800 4.588 4.401 4.780 . 0 0 "[ . 1 . 2]" 1
569 1 37 GLU H 1 39 GLY H . . 5.800 3.930 3.791 4.088 . 0 0 "[ . 1 . 2]" 1
570 1 34 VAL HA 1 38 LEU H . . 5.800 4.287 3.973 4.925 . 0 0 "[ . 1 . 2]" 1
571 1 34 VAL HA 1 38 LEU MD1 . . 6.300 4.474 4.001 5.055 . 0 0 "[ . 1 . 2]" 1
572 1 34 VAL HB 1 38 LEU MD1 . . 6.300 4.548 4.066 5.253 . 0 0 "[ . 1 . 2]" 1
573 1 34 VAL HA 1 38 LEU MD2 . . 6.300 5.213 5.041 5.287 . 0 0 "[ . 1 . 2]" 1
574 1 35 ALA HA 1 38 LEU HG . . 4.500 3.858 3.352 4.267 . 0 0 "[ . 1 . 2]" 1
575 1 35 ALA HA 1 38 LEU H . . 4.500 3.515 3.274 3.707 . 0 0 "[ . 1 . 2]" 1
576 1 35 ALA HA 1 38 LEU QB . . 4.500 2.892 2.503 3.275 . 0 0 "[ . 1 . 2]" 1
577 1 35 ALA HA 1 38 LEU MD1 . . 5.000 2.615 2.190 3.291 . 0 0 "[ . 1 . 2]" 1
578 1 38 LEU QB 1 40 GLU QG . . 5.800 2.639 2.204 3.175 . 0 0 "[ . 1 . 2]" 1
579 1 38 LEU MD1 1 40 GLU QG . . 6.300 3.512 2.800 4.153 . 0 0 "[ . 1 . 2]" 1
580 1 36 LYS H 1 40 GLU H . . 5.800 5.045 4.667 5.806 0.006 10 0 "[ . 1 . 2]" 1
581 1 38 LEU QB 1 40 GLU H . . 4.500 2.685 2.469 3.101 . 0 0 "[ . 1 . 2]" 1
582 1 39 GLY QA 1 41 ASN QD . . 5.800 3.249 2.641 4.628 . 0 0 "[ . 1 . 2]" 1
583 1 40 GLU QB 1 42 LEU H . . 5.800 3.592 3.277 3.935 . 0 0 "[ . 1 . 2]" 1
584 1 40 GLU QB 1 42 LEU MD1 . . 6.300 3.002 2.657 3.598 . 0 0 "[ . 1 . 2]" 1
585 1 40 GLU QG 1 42 LEU MD1 . . 6.300 4.142 3.727 4.574 . 0 0 "[ . 1 . 2]" 1
586 1 40 GLU QB 1 42 LEU MD2 . . 6.300 2.951 2.524 3.803 . 0 0 "[ . 1 . 2]" 1
587 1 40 GLU QG 1 42 LEU MD2 . . 6.300 4.247 3.697 4.681 . 0 0 "[ . 1 . 2]" 1
588 1 42 LEU QB 1 46 GLU QB . . 5.800 2.464 2.297 2.952 . 0 0 "[ . 1 . 2]" 1
589 1 42 LEU MD2 1 46 GLU QB . . 6.300 2.478 2.342 2.796 . 0 0 "[ . 1 . 2]" 1
590 1 42 LEU MD2 1 46 GLU QG . . 6.300 3.490 2.950 3.746 . 0 0 "[ . 1 . 2]" 1
591 1 43 THR H 1 46 GLU H . . 5.800 3.673 3.501 3.808 . 0 0 "[ . 1 . 2]" 1
592 1 43 THR H 1 46 GLU QB . . 4.500 2.532 2.271 2.709 . 0 0 "[ . 1 . 2]" 1
593 1 43 THR H 1 46 GLU QG . . 5.800 3.252 2.466 3.632 . 0 0 "[ . 1 . 2]" 1
594 1 43 THR H 1 47 LEU H . . 5.800 4.284 4.063 4.507 . 0 0 "[ . 1 . 2]" 1
595 1 43 THR H 1 47 LEU MD2 . . 6.300 5.111 4.778 5.259 . 0 0 "[ . 1 . 2]" 1
596 1 44 GLU HA 1 47 LEU HG . . 4.500 3.833 3.314 4.445 . 0 0 "[ . 1 . 2]" 1
597 1 44 GLU HA 1 47 LEU QB . . 3.500 2.653 2.502 2.973 . 0 0 "[ . 1 . 2]" 1
598 1 44 GLU HA 1 47 LEU MD2 . . 6.300 4.928 4.686 5.252 . 0 0 "[ . 1 . 2]" 1
599 1 44 GLU H 1 47 LEU MD1 . . 6.300 4.223 3.584 4.828 . 0 0 "[ . 1 . 2]" 1
600 1 43 THR HA 1 45 GLU H . . 4.500 4.215 4.025 4.455 . 0 0 "[ . 1 . 2]" 1
601 1 43 THR HB 1 45 GLU H . . 3.500 2.737 2.480 3.084 . 0 0 "[ . 1 . 2]" 1
602 1 43 THR MG 1 45 GLU H . . 6.300 4.286 4.124 4.507 . 0 0 "[ . 1 . 2]" 1
603 1 45 GLU HA 1 48 GLN QG . . 4.500 4.036 3.958 4.081 . 0 0 "[ . 1 . 2]" 1
604 1 42 LEU MD2 1 46 GLU H . . 6.300 5.213 5.111 5.263 . 0 0 "[ . 1 . 2]" 1
605 1 42 LEU HA 1 46 GLU QB . . 4.500 3.468 3.098 3.966 . 0 0 "[ . 1 . 2]" 1
606 1 43 THR HA 1 46 GLU H . . 5.800 4.644 4.535 4.774 . 0 0 "[ . 1 . 2]" 1
607 1 43 THR MG 1 46 GLU H . . 6.300 4.051 3.930 4.211 . 0 0 "[ . 1 . 2]" 1
608 1 43 THR MG 1 46 GLU QG . . 6.300 3.526 2.975 3.842 . 0 0 "[ . 1 . 2]" 1
609 1 44 GLU H 1 46 GLU H . . 5.800 4.573 4.458 4.662 . 0 0 "[ . 1 . 2]" 1
610 1 43 THR HA 1 47 LEU H . . 5.800 5.062 4.967 5.203 . 0 0 "[ . 1 . 2]" 1
611 1 44 GLU HA 1 47 LEU MD1 . . 4.000 2.643 2.245 3.257 . 0 0 "[ . 1 . 2]" 1
612 1 44 GLU QG 1 47 LEU MD1 . . 6.300 3.863 3.424 4.689 . 0 0 "[ . 1 . 2]" 1
613 1 45 GLU H 1 47 LEU H . . 5.800 4.223 4.134 4.356 . 0 0 "[ . 1 . 2]" 1
614 1 47 LEU H 1 49 GLU H . . 5.800 4.177 4.062 4.260 . 0 0 "[ . 1 . 2]" 1
615 1 47 LEU MD2 1 50 MET ME . . 6.800 3.014 2.347 3.736 . 0 0 "[ . 1 . 2]" 1
616 1 45 GLU HA 1 48 GLN QB . . 3.500 2.498 2.368 2.755 . 0 0 "[ . 1 . 2]" 1
617 1 48 GLN QE 1 51 ILE QG . . 5.800 4.287 2.802 4.642 . 0 0 "[ . 1 . 2]" 1
618 1 48 GLN QE 1 51 ILE MG . . 6.300 3.914 2.003 4.698 . 0 0 "[ . 1 . 2]" 1
619 1 48 GLN HA 1 52 ALA MB . . 6.300 4.284 3.869 4.634 . 0 0 "[ . 1 . 2]" 1
620 1 48 GLN QB 1 52 ALA MB . . 6.300 3.854 3.289 4.449 . 0 0 "[ . 1 . 2]" 1
621 1 46 GLU HA 1 49 GLU H . . 4.500 3.394 3.242 3.557 . 0 0 "[ . 1 . 2]" 1
622 1 49 GLU QB 1 52 ALA MB . . 6.300 4.263 4.095 4.506 . 0 0 "[ . 1 . 2]" 1
623 1 49 GLU QG 1 52 ALA MB . . 6.300 4.291 4.086 4.694 . 0 0 "[ . 1 . 2]" 1
624 1 47 LEU HA 1 50 MET H . . 4.500 3.342 3.247 3.497 . 0 0 "[ . 1 . 2]" 1
625 1 47 LEU HA 1 50 MET QB . . 5.800 2.693 2.432 2.891 . 0 0 "[ . 1 . 2]" 1
626 1 47 LEU HA 1 50 MET ME . . 6.300 3.809 2.763 4.295 . 0 0 "[ . 1 . 2]" 1
627 1 47 LEU HA 1 50 MET QG . . 5.800 3.296 3.037 3.514 . 0 0 "[ . 1 . 2]" 1
628 1 48 GLN H 1 50 MET H . . 5.800 4.353 4.233 4.489 . 0 0 "[ . 1 . 2]" 1
629 1 48 GLN HA 1 51 ILE HB . . 3.500 2.166 2.063 2.430 . 0 0 "[ . 1 . 2]" 1
630 1 48 GLN HA 1 51 ILE MD . . 5.000 4.159 3.995 4.238 . 0 0 "[ . 1 . 2]" 1
631 1 48 GLN QG 1 51 ILE MD . . 6.300 4.425 4.274 4.706 . 0 0 "[ . 1 . 2]" 1
632 1 48 GLN HA 1 51 ILE QG . . 4.500 2.602 2.483 2.940 . 0 0 "[ . 1 . 2]" 1
633 1 48 GLN HA 1 51 ILE MG . . 6.300 3.467 3.301 3.785 . 0 0 "[ . 1 . 2]" 1
634 1 51 ILE MG 1 54 ALA MB . . 6.800 4.328 3.840 4.718 . 0 0 "[ . 1 . 2]" 1
635 1 51 ILE MG 1 55 ASP QB . . 6.300 2.458 2.043 3.172 . 0 0 "[ . 1 . 2]" 1
636 1 48 GLN QG 1 52 ALA MB . . 6.300 4.722 4.677 4.760 . 0 0 "[ . 1 . 2]" 1
637 1 49 GLU HA 1 52 ALA H . . 3.500 3.527 3.503 3.558 0.058 3 0 "[ . 1 . 2]" 1
638 1 49 GLU HA 1 52 ALA MB . . 4.000 2.620 2.481 2.766 . 0 0 "[ . 1 . 2]" 1
639 1 50 MET H 1 52 ALA H . . 5.800 4.353 4.231 4.539 . 0 0 "[ . 1 . 2]" 1
640 1 52 ALA H 1 54 ALA H . . 5.800 4.335 4.131 4.525 . 0 0 "[ . 1 . 2]" 1
641 1 52 ALA HA 1 55 ASP QB . . 3.500 2.920 2.446 3.146 . 0 0 "[ . 1 . 2]" 1
642 1 51 ILE HA 1 53 GLU H . . 5.800 4.558 4.018 4.812 . 0 0 "[ . 1 . 2]" 1
643 1 51 ILE H 1 53 GLU H . . 5.800 4.285 4.048 4.475 . 0 0 "[ . 1 . 2]" 1
644 1 51 ILE MG 1 53 GLU H . . 6.300 4.833 4.514 5.027 . 0 0 "[ . 1 . 2]" 1
645 1 51 ILE HA 1 54 ALA H . . 5.800 3.682 3.417 3.947 . 0 0 "[ . 1 . 2]" 1
646 1 51 ILE MG 1 54 ALA H . . 6.300 4.738 4.572 4.950 . 0 0 "[ . 1 . 2]" 1
647 1 51 ILE HA 1 54 ALA MB . . 5.000 3.153 2.591 3.737 . 0 0 "[ . 1 . 2]" 1
648 1 51 ILE MD 1 54 ALA MB . . 6.800 4.526 4.194 4.731 . 0 0 "[ . 1 . 2]" 1
649 1 51 ILE MG 1 55 ASP HA . . 6.300 4.712 4.431 5.200 . 0 0 "[ . 1 . 2]" 1
650 1 51 ILE HA 1 55 ASP H . . 5.800 3.723 3.209 4.238 . 0 0 "[ . 1 . 2]" 1
651 1 51 ILE MG 1 55 ASP H . . 6.300 3.800 3.548 4.022 . 0 0 "[ . 1 . 2]" 1
652 1 52 ALA HA 1 55 ASP H . . 4.500 3.665 3.228 4.038 . 0 0 "[ . 1 . 2]" 1
653 1 52 ALA MB 1 55 ASP QB . . 6.300 4.339 3.895 4.578 . 0 0 "[ . 1 . 2]" 1
654 1 55 ASP HA 1 57 ASN H . . 4.500 3.535 3.145 4.255 . 0 0 "[ . 1 . 2]" 1
655 1 55 ASP QB 1 57 ASN H . . 4.500 3.860 2.881 4.082 . 0 0 "[ . 1 . 2]" 1
656 1 57 ASN QD 1 59 ASP QB . . 5.800 3.783 2.630 4.639 . 0 0 "[ . 1 . 2]" 1
657 1 56 ARG HA 1 58 ASP H . . 5.800 4.336 3.658 5.896 0.096 9 0 "[ . 1 . 2]" 1
658 1 56 ARG H 1 58 ASP H . . 5.800 4.063 3.062 4.889 . 0 0 "[ . 1 . 2]" 1
659 1 58 ASP H 1 60 ASN H . . 5.800 4.079 3.486 4.789 . 0 0 "[ . 1 . 2]" 1
660 1 59 ASP H 1 61 GLU QG . . 5.800 5.022 4.776 5.190 . 0 0 "[ . 1 . 2]" 1
661 1 58 ASP HA 1 60 ASN H . . 4.500 3.032 2.709 3.529 . 0 0 "[ . 1 . 2]" 1
662 1 59 ASP H 1 61 GLU H . . 4.500 3.521 3.204 4.016 . 0 0 "[ . 1 . 2]" 1
663 1 59 ASP QB 1 61 GLU H . . 4.500 3.926 3.695 4.048 . 0 0 "[ . 1 . 2]" 1
664 1 62 ILE HA 1 66 GLU QB . . 4.500 3.008 2.679 3.239 . 0 0 "[ . 1 . 2]" 1
665 1 62 ILE MG 1 66 GLU QB . . 5.000 2.205 2.049 2.337 . 0 0 "[ . 1 . 2]" 1
666 1 63 ASP H 1 66 GLU QB . . 4.500 2.373 2.176 2.592 . 0 0 "[ . 1 . 2]" 1
667 1 63 ASP H 1 66 GLU QG . . 5.800 3.653 3.563 3.787 . 0 0 "[ . 1 . 2]" 1
668 1 62 ILE MG 1 64 GLU HA . . 6.300 4.721 4.447 5.028 . 0 0 "[ . 1 . 2]" 1
669 1 64 GLU HA 1 67 PHE QD . . 5.800 4.124 3.875 4.346 . 0 0 "[ . 1 . 2]" 1
670 1 63 ASP HA 1 65 ASP H . . 5.800 4.762 4.611 4.958 . 0 0 "[ . 1 . 2]" 1
671 1 63 ASP QB 1 65 ASP H . . 4.500 3.550 3.332 3.713 . 0 0 "[ . 1 . 2]" 1
672 1 65 ASP H 1 68 ILE HB . . 5.800 4.881 4.804 4.944 . 0 0 "[ . 1 . 2]" 1
673 1 65 ASP H 1 68 ILE MD . . 6.300 3.927 3.724 4.050 . 0 0 "[ . 1 . 2]" 1
674 1 62 ILE MG 1 66 GLU HA . . 6.300 4.309 4.172 4.473 . 0 0 "[ . 1 . 2]" 1
675 1 62 ILE MG 1 66 GLU H . . 6.300 4.214 4.039 4.408 . 0 0 "[ . 1 . 2]" 1
676 1 62 ILE MD 1 66 GLU QB . . 6.300 3.679 3.302 4.060 . 0 0 "[ . 1 . 2]" 1
677 1 62 ILE MG 1 66 GLU QG . . 6.300 4.018 3.840 4.169 . 0 0 "[ . 1 . 2]" 1
678 1 63 ASP H 1 66 GLU H . . 5.800 3.808 3.550 3.959 . 0 0 "[ . 1 . 2]" 1
679 1 64 GLU H 1 66 GLU H . . 5.800 4.610 4.440 4.776 . 0 0 "[ . 1 . 2]" 1
680 1 64 GLU QB 1 66 GLU H . . 5.800 4.918 4.748 5.086 . 0 0 "[ . 1 . 2]" 1
681 1 63 ASP H 1 67 PHE H . . 5.800 4.140 3.963 4.349 . 0 0 "[ . 1 . 2]" 1
682 1 64 GLU HA 1 67 PHE QB . . 4.500 2.670 2.511 2.809 . 0 0 "[ . 1 . 2]" 1
683 1 65 ASP HA 1 67 PHE H . . 5.800 4.491 4.344 4.570 . 0 0 "[ . 1 . 2]" 1
684 1 65 ASP H 1 67 PHE H . . 5.800 4.177 4.058 4.249 . 0 0 "[ . 1 . 2]" 1
685 1 65 ASP QB 1 67 PHE H . . 5.800 4.751 4.642 5.189 . 0 0 "[ . 1 . 2]" 1
686 1 67 PHE H 1 69 ARG H . . 5.800 4.173 4.076 4.318 . 0 0 "[ . 1 . 2]" 1
687 1 67 PHE H 1 70 ILE MG . . 6.300 4.357 4.285 4.420 . 0 0 "[ . 1 . 2]" 1
688 1 64 GLU HA 1 68 ILE H . . 5.800 3.744 3.623 3.946 . 0 0 "[ . 1 . 2]" 1
689 1 64 GLU QG 1 68 ILE H . . 5.800 4.847 3.914 5.239 . 0 0 "[ . 1 . 2]" 1
690 1 64 GLU HA 1 68 ILE MD . . 6.300 3.894 3.667 4.239 . 0 0 "[ . 1 . 2]" 1
691 1 64 GLU QB 1 68 ILE MD . . 6.300 2.797 2.354 3.619 . 0 0 "[ . 1 . 2]" 1
692 1 64 GLU QG 1 68 ILE MD . . 6.300 3.355 2.122 4.211 . 0 0 "[ . 1 . 2]" 1
693 1 65 ASP HA 1 68 ILE HB . . 3.500 2.571 2.429 2.688 . 0 0 "[ . 1 . 2]" 1
694 1 65 ASP HA 1 68 ILE H . . 4.500 3.680 3.521 3.800 . 0 0 "[ . 1 . 2]" 1
695 1 65 ASP QB 1 68 ILE H . . 5.800 5.173 5.065 5.220 . 0 0 "[ . 1 . 2]" 1
696 1 65 ASP HA 1 68 ILE MD . . 4.000 2.573 2.319 2.875 . 0 0 "[ . 1 . 2]" 1
697 1 65 ASP HA 1 68 ILE QG . . 5.800 4.028 3.827 4.250 . 0 0 "[ . 1 . 2]" 1
698 1 65 ASP HA 1 68 ILE MG . . 5.000 3.757 3.648 3.827 . 0 0 "[ . 1 . 2]" 1
699 1 66 GLU HA 1 68 ILE H . . 5.800 4.858 4.718 4.978 . 0 0 "[ . 1 . 2]" 1
700 1 66 GLU QB 1 68 ILE H . . 5.800 4.823 4.730 4.912 . 0 0 "[ . 1 . 2]" 1
701 1 68 ILE H 1 70 ILE MG . . 6.300 4.674 4.588 4.774 . 0 0 "[ . 1 . 2]" 1
702 1 68 ILE HA 1 71 MET QB . . 4.500 2.670 2.425 3.116 . 0 0 "[ . 1 . 2]" 1
703 1 65 ASP HA 1 69 ARG H . . 5.800 3.903 3.766 4.106 . 0 0 "[ . 1 . 2]" 1
704 1 69 ARG HA 1 72 LYS QE . . 5.800 4.215 2.370 5.192 . 0 0 "[ . 1 . 2]" 1
705 1 69 ARG HA 1 72 LYS QG . . 4.500 4.008 3.905 4.041 . 0 0 "[ . 1 . 2]" 1
706 1 67 PHE HA 1 70 ILE HB . . 4.500 4.429 4.316 4.531 0.031 15 0 "[ . 1 . 2]" 1
707 1 67 PHE HA 1 70 ILE MD . . 6.300 5.101 5.003 5.218 . 0 0 "[ . 1 . 2]" 1
708 1 67 PHE HA 1 70 ILE QG . . 5.800 5.234 5.201 5.263 . 0 0 "[ . 1 . 2]" 1
709 1 67 PHE HA 1 70 ILE MG . . 4.000 2.114 2.080 2.141 . 0 0 "[ . 1 . 2]" 1
710 1 70 ILE MD 1 73 LYS QG . . 6.300 4.691 4.678 4.707 . 0 0 "[ . 1 . 2]" 1
711 1 67 PHE HA 1 71 MET H . . 5.800 3.873 3.778 3.957 . 0 0 "[ . 1 . 2]" 1
712 1 67 PHE HZ 1 71 MET ME . . 6.300 3.359 2.445 3.910 . 0 0 "[ . 1 . 2]" 1
713 1 67 PHE QE 1 71 MET ME . . 6.300 3.058 2.565 3.547 . 0 0 "[ . 1 . 2]" 1
714 1 68 ILE HA 1 71 MET H . . 5.800 3.718 3.639 3.813 . 0 0 "[ . 1 . 2]" 1
715 1 68 ILE MG 1 71 MET QB . . 6.300 4.121 3.929 4.408 . 0 0 "[ . 1 . 2]" 1
716 1 68 ILE HA 1 72 LYS H . . 5.800 4.060 3.937 4.228 . 0 0 "[ . 1 . 2]" 1
717 1 68 ILE MG 1 72 LYS H . . 6.300 4.199 4.107 4.390 . 0 0 "[ . 1 . 2]" 1
718 1 68 ILE MG 1 72 LYS QB . . 6.300 4.060 3.855 4.328 . 0 0 "[ . 1 . 2]" 1
719 1 68 ILE MG 1 72 LYS QD . . 5.000 2.853 2.208 3.304 . 0 0 "[ . 1 . 2]" 1
720 1 68 ILE MG 1 72 LYS QE . . 5.000 2.464 2.165 3.599 . 0 0 "[ . 1 . 2]" 1
721 1 68 ILE MG 1 72 LYS QG . . 6.300 3.094 2.830 3.895 . 0 0 "[ . 1 . 2]" 1
722 1 69 ARG HA 1 72 LYS H . . 4.500 3.706 3.512 3.869 . 0 0 "[ . 1 . 2]" 1
723 1 70 ILE H 1 72 LYS H . . 5.800 4.317 4.233 4.396 . 0 0 "[ . 1 . 2]" 1
724 1 70 ILE QG 1 73 LYS H . . 5.800 4.522 4.317 4.694 . 0 0 "[ . 1 . 2]" 1
725 1 70 ILE HA 1 73 LYS QB . . 3.500 2.171 2.032 2.630 . 0 0 "[ . 1 . 2]" 1
726 1 70 ILE MD 1 73 LYS QB . . 6.300 3.997 3.691 4.226 . 0 0 "[ . 1 . 2]" 1
727 1 70 ILE HA 1 73 LYS QD . . 4.500 3.347 2.220 4.011 . 0 0 "[ . 1 . 2]" 1
728 1 70 ILE HA 1 73 LYS QE . . 5.800 3.272 2.203 5.125 . 0 0 "[ . 1 . 2]" 1
729 1 70 ILE MD 1 73 LYS QE . . 6.300 3.444 2.439 4.580 . 0 0 "[ . 1 . 2]" 1
730 1 70 ILE HA 1 73 LYS QG . . 4.500 3.561 2.334 4.082 . 0 0 "[ . 1 . 2]" 1
731 1 70 ILE MD 1 74 THR MG . . 6.800 4.291 3.842 4.607 . 0 0 "[ . 1 . 2]" 1
732 1 70 ILE QG 1 74 THR MG . . 6.300 3.780 3.487 4.118 . 0 0 "[ . 1 . 2]" 1
733 1 71 MET HA 1 74 THR MG . . 6.300 4.781 4.494 5.168 . 0 0 "[ . 1 . 2]" 1
734 1 74 THR HA 1 76 LEU MD1 . . 6.300 4.469 4.259 4.535 . 0 0 "[ . 1 . 2]" 1
735 1 74 THR HB 1 76 LEU MD2 . . 6.300 4.557 4.357 4.642 . 0 0 "[ . 1 . 2]" 1
736 1 74 THR MG 1 76 LEU HG . . 6.300 2.954 2.453 3.448 . 0 0 "[ . 1 . 2]" 1
737 1 74 THR HB 1 76 LEU HG . . 3.500 3.527 3.405 3.575 0.075 8 0 "[ . 1 . 2]" 1
738 1 74 THR HB 1 76 LEU MD1 . . 6.300 2.035 1.940 2.102 . 0 0 "[ . 1 . 2]" 1
739 1 74 THR MG 1 76 LEU MD1 . . 6.800 2.087 1.962 2.234 . 0 0 "[ . 1 . 2]" 1
740 2 3 ARG HA 2 6 ILE MD . . 6.500 3.883 2.435 5.439 . 0 0 "[ . 1 . 2]" 1
741 2 6 ILE HA 2 9 LYS QB . . 4.600 3.827 3.447 4.125 . 0 0 "[ . 1 . 2]" 1
742 2 6 ILE HA 2 9 LYS QD . . 4.600 2.892 2.282 4.116 . 0 0 "[ . 1 . 2]" 1
743 2 6 ILE MG 2 10 TRP HD1 . . 5.100 3.370 2.812 3.988 . 0 0 "[ . 1 . 2]" 1
744 2 6 ILE MG 2 10 TRP HE1 . . 6.500 3.538 3.134 4.035 . 0 0 "[ . 1 . 2]" 1
745 2 7 GLU HA 2 10 TRP HD1 . . 4.600 2.836 2.330 3.601 . 0 0 "[ . 1 . 2]" 1
746 2 10 TRP HA 2 13 LEU H . . 4.600 3.535 3.289 3.781 . 0 0 "[ . 1 . 2]" 1
747 2 10 TRP HE3 2 13 LEU HG . . 4.600 4.428 3.807 4.696 0.096 7 0 "[ . 1 . 2]" 1
748 2 10 TRP HZ3 2 13 LEU QB . . 6.000 4.755 4.112 5.311 . 0 0 "[ . 1 . 2]" 1
749 2 10 TRP HE3 2 14 LEU QD . . 5.100 3.740 2.478 3.835 . 0 0 "[ . 1 . 2]" 1
750 2 11 HIS HA 2 13 LEU H . . 4.600 4.639 4.583 4.691 0.091 11 0 "[ . 1 . 2]" 1
751 2 11 HIS HA 2 14 LEU QB . . 4.600 3.781 3.230 4.061 . 0 0 "[ . 1 . 2]" 1
752 2 11 HIS QB 2 15 PHE HZ . . 6.000 4.481 2.953 5.006 . 0 0 "[ . 1 . 2]" 1
753 2 12 ARG QG 2 16 HIS QB . . 4.600 3.337 2.109 3.707 . 0 0 "[ . 1 . 2]" 1
754 2 10 TRP HA 2 13 LEU QD . . 6.500 3.244 2.463 4.243 . 0 0 "[ . 1 . 2]" 1
755 2 10 TRP HE3 2 13 LEU QD . . 6.500 3.154 2.432 4.359 . 0 0 "[ . 1 . 2]" 1
756 2 10 TRP HZ3 2 13 LEU QD . . 6.500 3.543 2.319 4.847 . 0 0 "[ . 1 . 2]" 1
757 2 10 TRP HZ3 2 14 LEU QD . . 6.500 4.680 3.505 4.846 . 0 0 "[ . 1 . 2]" 1
758 2 11 HIS HA 2 14 LEU H . . 4.600 4.085 3.670 4.320 . 0 0 "[ . 1 . 2]" 1
759 2 11 HIS HA 2 14 LEU QD . . 6.500 4.646 4.037 4.882 . 0 0 "[ . 1 . 2]" 1
760 2 11 HIS HA 2 15 PHE H . . 4.600 3.653 3.338 3.933 . 0 0 "[ . 1 . 2]" 1
761 2 11 HIS HA 2 15 PHE HZ . . 4.600 4.140 3.808 4.521 . 0 0 "[ . 1 . 2]" 1
762 2 11 HIS HA 2 15 PHE QD . . 4.600 3.657 2.382 4.101 . 0 0 "[ . 1 . 2]" 1
763 2 11 HIS HA 2 15 PHE QE . . 4.600 3.620 2.955 3.934 . 0 0 "[ . 1 . 2]" 1
764 2 12 ARG HA 2 15 PHE H . . 4.600 3.961 3.618 4.375 . 0 0 "[ . 1 . 2]" 1
765 2 13 LEU H 2 15 PHE H . . 4.600 4.427 4.249 4.632 0.032 12 0 "[ . 1 . 2]" 1
766 2 13 LEU HA 2 16 HIS HD2 . . 4.600 4.193 2.796 4.682 0.082 18 0 "[ . 1 . 2]" 1
767 1 8 ARG HA 1 68 ILE MG . . 6.300 4.501 4.195 4.767 . 0 0 "[ . 1 . 2]" 1
768 1 10 GLU QB 1 77 PHE QD . . 5.800 3.082 2.898 3.237 . 0 0 "[ . 1 . 2]" 1
769 1 10 GLU QB 1 77 PHE QE . . 5.800 2.631 2.447 2.818 . 0 0 "[ . 1 . 2]" 1
770 1 11 ILE MG 1 67 PHE HZ . . 6.300 4.615 4.340 4.816 . 0 0 "[ . 1 . 2]" 1
771 1 11 ILE MG 1 67 PHE QD . . 6.300 2.166 2.113 2.265 . 0 0 "[ . 1 . 2]" 1
772 1 11 ILE MG 1 71 MET QG . . 6.300 2.465 2.322 2.973 . 0 0 "[ . 1 . 2]" 1
773 1 11 ILE MD 1 72 LYS HA . . 6.300 4.508 4.173 4.862 . 0 0 "[ . 1 . 2]" 1
774 1 11 ILE MD 1 72 LYS QG . . 6.300 3.022 2.555 4.483 . 0 0 "[ . 1 . 2]" 1
775 1 11 ILE H 1 77 PHE HZ . . 5.800 5.456 5.227 5.801 0.001 2 0 "[ . 1 . 2]" 1
776 1 11 ILE MD 1 77 PHE QB . . 6.300 2.294 2.159 2.438 . 0 0 "[ . 1 . 2]" 1
777 1 11 ILE MD 1 77 PHE QD . . 6.300 3.720 3.654 4.015 . 0 0 "[ . 1 . 2]" 1
778 1 11 ILE QG 1 77 PHE QD . . 5.800 2.253 2.173 2.561 . 0 0 "[ . 1 . 2]" 1
779 1 12 LEU MD2 1 64 GLU QG . . 5.000 2.447 2.284 2.709 . 0 0 "[ . 1 . 2]" 1
780 1 12 LEU HA 1 67 PHE QD . . 5.800 4.324 4.242 4.430 . 0 0 "[ . 1 . 2]" 1
781 1 12 LEU MD2 1 67 PHE QD . . 6.300 4.647 4.457 4.690 . 0 0 "[ . 1 . 2]" 1
782 1 14 ALA H 1 67 PHE QE . . 5.800 4.283 4.168 4.401 . 0 0 "[ . 1 . 2]" 1
783 1 14 ALA MB 1 67 PHE HZ . . 5.000 2.607 2.358 2.764 . 0 0 "[ . 1 . 2]" 1
784 1 14 ALA MB 1 67 PHE QD . . 6.300 4.348 4.223 4.513 . 0 0 "[ . 1 . 2]" 1
785 1 14 ALA MB 1 67 PHE QE . . 6.300 2.321 2.225 2.471 . 0 0 "[ . 1 . 2]" 1
786 1 14 ALA H 1 77 PHE QE . . 4.500 4.019 3.871 4.041 . 0 0 "[ . 1 . 2]" 1
787 1 14 ALA MB 1 77 PHE HZ . . 5.000 3.126 2.799 3.455 . 0 0 "[ . 1 . 2]" 1
788 1 14 ALA MB 1 77 PHE QE . . 6.300 2.148 2.064 2.272 . 0 0 "[ . 1 . 2]" 1
789 1 15 PHE HZ 1 25 THR HA . . 3.500 2.266 2.019 2.448 . 0 0 "[ . 1 . 2]" 1
790 1 15 PHE QE 1 25 THR HA . . 5.800 3.290 3.003 3.555 . 0 0 "[ . 1 . 2]" 1
791 1 15 PHE HA 1 67 PHE HZ . . 5.800 3.734 3.389 3.926 . 0 0 "[ . 1 . 2]" 1
792 1 15 PHE H 1 67 PHE QD . . 5.800 3.994 3.852 4.155 . 0 0 "[ . 1 . 2]" 1
793 1 15 PHE H 1 67 PHE QE . . 5.800 2.640 2.524 2.805 . 0 0 "[ . 1 . 2]" 1
794 1 15 PHE QB 1 67 PHE QD . . 5.800 2.445 2.344 2.567 . 0 0 "[ . 1 . 2]" 1
795 1 15 PHE QB 1 67 PHE QE . . 5.800 2.859 2.725 3.092 . 0 0 "[ . 1 . 2]" 1
796 1 15 PHE QE 1 67 PHE QD . . 5.800 4.306 4.124 4.599 . 0 0 "[ . 1 . 2]" 1
797 1 18 PHE HA 1 30 ASP QB . . 5.800 4.188 3.885 4.433 . 0 0 "[ . 1 . 2]" 1
798 1 18 PHE QE 1 67 PHE HZ . . 4.500 2.710 2.239 3.087 . 0 0 "[ . 1 . 2]" 1
799 1 18 PHE QE 1 67 PHE QD . . 5.800 4.604 4.507 4.645 . 0 0 "[ . 1 . 2]" 1
800 1 18 PHE QE 1 67 PHE QE . . 5.800 2.314 2.229 2.402 . 0 0 "[ . 1 . 2]" 1
801 1 19 ASP QB 1 26 ILE MD . . 6.300 3.878 3.518 4.423 . 0 0 "[ . 1 . 2]" 1
802 1 19 ASP QB 1 26 ILE QG . . 5.800 2.391 2.096 3.035 . 0 0 "[ . 1 . 2]" 1
803 1 19 ASP QB 1 26 ILE MG . . 6.300 3.690 3.244 4.380 . 0 0 "[ . 1 . 2]" 1
804 1 20 ASP H 1 30 ASP QB . . 5.800 3.058 2.700 3.317 . 0 0 "[ . 1 . 2]" 1
805 1 15 PHE HZ 1 24 GLY H . . 5.800 5.538 4.520 5.840 0.040 2 0 "[ . 1 . 2]" 1
806 1 15 PHE QE 1 24 GLY H . . 5.800 4.712 3.815 5.092 . 0 0 "[ . 1 . 2]" 1
807 1 15 PHE QE 1 24 GLY QA . . 5.800 3.293 2.289 4.015 . 0 0 "[ . 1 . 2]" 1
808 1 15 PHE HZ 1 25 THR MG . . 6.300 3.443 3.108 3.897 . 0 0 "[ . 1 . 2]" 1
809 1 15 PHE QE 1 25 THR MG . . 6.300 4.281 4.053 4.637 . 0 0 "[ . 1 . 2]" 1
810 1 25 THR HB 1 61 GLU HA . . 4.500 3.828 3.308 4.510 0.010 9 0 "[ . 1 . 2]" 1
811 1 25 THR HB 1 61 GLU QG . . 4.500 4.035 3.849 4.088 . 0 0 "[ . 1 . 2]" 1
812 1 25 THR MG 1 63 ASP QB . . 5.000 2.633 2.402 3.245 . 0 0 "[ . 1 . 2]" 1
813 1 15 PHE HZ 1 26 ILE H . . 5.800 3.689 2.648 4.314 . 0 0 "[ . 1 . 2]" 1
814 1 15 PHE QE 1 26 ILE H . . 5.800 3.302 3.036 3.630 . 0 0 "[ . 1 . 2]" 1
815 1 15 PHE HA 1 26 ILE MD . . 6.300 2.316 2.179 2.453 . 0 0 "[ . 1 . 2]" 1
816 1 15 PHE QD 1 26 ILE MD . . 6.300 2.217 2.101 2.750 . 0 0 "[ . 1 . 2]" 1
817 1 15 PHE QE 1 26 ILE MD . . 6.300 2.632 2.433 2.898 . 0 0 "[ . 1 . 2]" 1
818 1 18 PHE HA 1 26 ILE MD . . 6.300 5.187 4.577 5.272 . 0 0 "[ . 1 . 2]" 1
819 1 18 PHE QB 1 26 ILE MD . . 6.300 2.650 2.150 2.743 . 0 0 "[ . 1 . 2]" 1
820 1 18 PHE QD 1 26 ILE MD . . 6.300 2.442 2.238 3.199 . 0 0 "[ . 1 . 2]" 1
821 1 18 PHE QB 1 26 ILE QG . . 5.800 2.325 2.162 2.547 . 0 0 "[ . 1 . 2]" 1
822 1 18 PHE HA 1 26 ILE MG . . 6.300 4.097 3.857 4.379 . 0 0 "[ . 1 . 2]" 1
823 1 18 PHE QB 1 26 ILE MG . . 6.300 2.217 2.022 2.495 . 0 0 "[ . 1 . 2]" 1
824 1 18 PHE QD 1 26 ILE MG . . 6.300 3.050 2.510 3.595 . 0 0 "[ . 1 . 2]" 1
825 1 26 ILE MD 1 31 LEU MD2 . . 6.800 3.341 3.092 3.474 . 0 0 "[ . 1 . 2]" 1
826 1 26 ILE MG 1 31 LEU HG . . 5.000 2.242 2.139 2.525 . 0 0 "[ . 1 . 2]" 1
827 1 26 ILE H 1 61 GLU QB . . 5.800 4.118 3.570 4.684 . 0 0 "[ . 1 . 2]" 1
828 1 26 ILE H 1 62 ILE HB . . 5.800 2.954 2.705 3.169 . 0 0 "[ . 1 . 2]" 1
829 1 26 ILE H 1 62 ILE QG . . 5.800 3.902 3.617 4.175 . 0 0 "[ . 1 . 2]" 1
830 1 26 ILE MD 1 62 ILE QG . . 6.300 3.070 2.623 3.460 . 0 0 "[ . 1 . 2]" 1
831 1 26 ILE QG 1 62 ILE MG . . 6.300 4.417 4.130 4.632 . 0 0 "[ . 1 . 2]" 1
832 1 26 ILE MG 1 62 ILE MD . . 6.800 4.309 3.720 4.724 . 0 0 "[ . 1 . 2]" 1
833 1 26 ILE MD 1 67 PHE HZ . . 6.300 3.805 3.522 4.463 . 0 0 "[ . 1 . 2]" 1
834 1 26 ILE MD 1 67 PHE QD . . 6.300 2.704 2.568 2.863 . 0 0 "[ . 1 . 2]" 1
835 1 26 ILE MD 1 67 PHE QE . . 6.300 2.985 2.734 3.337 . 0 0 "[ . 1 . 2]" 1
836 1 27 THR MG 1 61 GLU HA . . 5.000 3.053 2.366 3.672 . 0 0 "[ . 1 . 2]" 1
837 1 28 ILE MD 1 47 LEU MD1 . . 6.800 3.133 2.786 3.785 . 0 0 "[ . 1 . 2]" 1
838 1 28 ILE QG 1 47 LEU QB . . 5.800 2.385 2.061 3.157 . 0 0 "[ . 1 . 2]" 1
839 1 28 ILE QG 1 47 LEU MD1 . . 6.300 2.434 2.162 3.238 . 0 0 "[ . 1 . 2]" 1
840 1 28 ILE MD 1 48 GLN QB . . 6.300 3.551 2.704 3.924 . 0 0 "[ . 1 . 2]" 1
841 1 28 ILE QG 1 48 GLN QG . . 5.800 3.942 3.494 4.488 . 0 0 "[ . 1 . 2]" 1
842 1 28 ILE H 1 51 ILE MD . . 6.300 2.765 2.507 2.995 . 0 0 "[ . 1 . 2]" 1
843 1 28 ILE H 1 51 ILE QG . . 5.800 4.321 4.140 4.622 . 0 0 "[ . 1 . 2]" 1
844 1 28 ILE MG 1 51 ILE QG . . 6.300 4.429 4.141 4.680 . 0 0 "[ . 1 . 2]" 1
845 1 28 ILE H 1 60 ASN QB . . 5.800 4.210 2.882 5.196 . 0 0 "[ . 1 . 2]" 1
846 1 20 ASP QB 1 30 ASP HA . . 4.500 3.470 2.902 4.059 . 0 0 "[ . 1 . 2]" 1
847 1 18 PHE QD 1 31 LEU HA . . 5.800 5.046 3.303 5.224 . 0 0 "[ . 1 . 2]" 1
848 1 18 PHE HA 1 31 LEU MD2 . . 6.300 4.679 4.354 5.099 . 0 0 "[ . 1 . 2]" 1
849 1 18 PHE QB 1 31 LEU MD2 . . 6.300 3.163 2.815 3.542 . 0 0 "[ . 1 . 2]" 1
850 1 18 PHE QD 1 31 LEU MD2 . . 6.300 3.317 2.663 3.731 . 0 0 "[ . 1 . 2]" 1
851 1 18 PHE QE 1 31 LEU MD2 . . 6.300 3.959 3.272 4.257 . 0 0 "[ . 1 . 2]" 1
852 1 26 ILE MG 1 31 LEU MD1 . . 6.800 3.127 2.898 3.272 . 0 0 "[ . 1 . 2]" 1
853 1 26 ILE MG 1 31 LEU MD2 . . 6.800 2.080 2.032 2.164 . 0 0 "[ . 1 . 2]" 1
854 1 31 LEU QB 1 47 LEU MD1 . . 5.000 2.782 2.234 3.699 . 0 0 "[ . 1 . 2]" 1
855 1 31 LEU MD1 1 50 MET ME . . 6.800 2.803 2.111 3.387 . 0 0 "[ . 1 . 2]" 1
856 1 32 ARG H 1 47 LEU MD1 . . 6.300 2.752 2.463 3.457 . 0 0 "[ . 1 . 2]" 1
857 1 32 ARG H 1 47 LEU MD2 . . 6.300 3.556 2.793 4.142 . 0 0 "[ . 1 . 2]" 1
858 1 32 ARG QD 1 47 LEU MD1 . . 6.300 2.163 2.042 2.342 . 0 0 "[ . 1 . 2]" 1
859 1 32 ARG QG 1 47 LEU MD1 . . 6.300 3.310 2.687 3.515 . 0 0 "[ . 1 . 2]" 1
860 1 33 ARG H 1 47 LEU MD1 . . 6.300 4.755 4.542 5.250 . 0 0 "[ . 1 . 2]" 1
861 1 17 LEU HG 1 34 VAL MG1 . . 6.300 4.853 4.235 5.131 . 0 0 "[ . 1 . 2]" 1
862 1 17 LEU HG 1 34 VAL MG2 . . 6.300 4.748 4.390 5.074 . 0 0 "[ . 1 . 2]" 1
863 1 18 PHE HA 1 34 VAL MG1 . . 6.300 3.474 2.852 4.100 . 0 0 "[ . 1 . 2]" 1
864 1 18 PHE QD 1 34 VAL MG1 . . 6.300 2.731 2.180 3.137 . 0 0 "[ . 1 . 2]" 1
865 1 18 PHE QE 1 34 VAL MG1 . . 6.300 2.782 2.364 3.164 . 0 0 "[ . 1 . 2]" 1
866 1 18 PHE HA 1 34 VAL MG2 . . 4.000 2.109 1.975 2.474 . 0 0 "[ . 1 . 2]" 1
867 1 18 PHE QD 1 34 VAL MG2 . . 6.300 2.767 2.361 3.162 . 0 0 "[ . 1 . 2]" 1
868 1 18 PHE QE 1 34 VAL MG2 . . 6.300 4.097 3.617 4.697 . 0 0 "[ . 1 . 2]" 1
869 1 20 ASP QB 1 34 VAL MG2 . . 6.300 3.336 2.232 4.256 . 0 0 "[ . 1 . 2]" 1
870 1 35 ALA HA 1 40 GLU QB . . 4.500 2.752 2.356 3.276 . 0 0 "[ . 1 . 2]" 1
871 1 35 ALA MB 1 40 GLU QB . . 5.000 2.351 2.130 3.145 . 0 0 "[ . 1 . 2]" 1
872 1 36 LYS H 1 42 LEU MD1 . . 6.300 5.262 5.232 5.300 . 0 0 "[ . 1 . 2]" 1
873 1 35 ALA HA 1 40 GLU QG . . 5.800 4.012 3.466 4.716 . 0 0 "[ . 1 . 2]" 1
874 1 35 ALA MB 1 40 GLU QG . . 6.300 4.025 3.728 4.690 . 0 0 "[ . 1 . 2]" 1
875 1 36 LYS QB 1 41 ASN QD . . 5.800 4.000 2.291 4.628 . 0 0 "[ . 1 . 2]" 1
876 1 32 ARG QG 1 42 LEU H . . 5.800 5.070 4.118 5.251 . 0 0 "[ . 1 . 2]" 1
877 1 35 ALA HA 1 42 LEU MD1 . . 6.300 3.854 3.264 4.104 . 0 0 "[ . 1 . 2]" 1
878 1 35 ALA MB 1 42 LEU MD1 . . 5.500 2.069 1.996 2.135 . 0 0 "[ . 1 . 2]" 1
879 1 42 LEU MD1 1 50 MET ME . . 6.800 2.962 2.498 3.233 . 0 0 "[ . 1 . 2]" 1
880 1 42 LEU MD2 1 50 MET ME . . 6.800 4.619 3.935 4.736 . 0 0 "[ . 1 . 2]" 1
881 1 32 ARG QD 1 43 THR H . . 5.800 5.205 5.173 5.237 . 0 0 "[ . 1 . 2]" 1
882 1 28 ILE MD 1 44 GLU HA . . 5.000 2.909 2.339 3.579 . 0 0 "[ . 1 . 2]" 1
883 1 28 ILE MD 1 44 GLU QG . . 6.300 3.158 2.151 4.418 . 0 0 "[ . 1 . 2]" 1
884 1 28 ILE MD 1 47 LEU HG . . 6.300 4.454 4.134 4.838 . 0 0 "[ . 1 . 2]" 1
885 1 28 ILE HA 1 47 LEU QB . . 5.800 3.415 3.194 3.578 . 0 0 "[ . 1 . 2]" 1
886 1 28 ILE MD 1 47 LEU QB . . 5.000 2.189 1.911 2.505 . 0 0 "[ . 1 . 2]" 1
887 1 28 ILE HA 1 47 LEU MD2 . . 6.300 4.197 3.683 4.659 . 0 0 "[ . 1 . 2]" 1
888 1 28 ILE MD 1 47 LEU MD2 . . 6.800 4.185 3.550 4.732 . 0 0 "[ . 1 . 2]" 1
889 1 28 ILE QG 1 47 LEU MD2 . . 6.300 3.831 3.013 4.675 . 0 0 "[ . 1 . 2]" 1
890 1 31 LEU QB 1 47 LEU MD2 . . 5.000 2.041 1.944 2.119 . 0 0 "[ . 1 . 2]" 1
891 1 32 ARG HA 1 47 LEU MD1 . . 4.000 2.407 2.138 3.040 . 0 0 "[ . 1 . 2]" 1
892 1 32 ARG QB 1 47 LEU MD1 . . 6.300 2.075 2.005 2.299 . 0 0 "[ . 1 . 2]" 1
893 1 32 ARG HA 1 47 LEU MD2 . . 5.000 2.938 2.361 3.524 . 0 0 "[ . 1 . 2]" 1
894 1 32 ARG QB 1 47 LEU MD2 . . 6.300 3.731 2.867 4.404 . 0 0 "[ . 1 . 2]" 1
895 1 35 ALA MB 1 47 LEU MD2 . . 6.800 2.834 2.541 3.162 . 0 0 "[ . 1 . 2]" 1
896 1 42 LEU QB 1 47 LEU HG . . 5.800 2.392 2.155 2.612 . 0 0 "[ . 1 . 2]" 1
897 1 42 LEU QB 1 47 LEU H . . 5.800 3.426 3.262 3.723 . 0 0 "[ . 1 . 2]" 1
898 1 42 LEU HA 1 47 LEU MD2 . . 6.300 4.721 4.386 4.903 . 0 0 "[ . 1 . 2]" 1
899 1 42 LEU QB 1 47 LEU MD2 . . 6.300 2.213 2.062 2.354 . 0 0 "[ . 1 . 2]" 1
900 1 28 ILE MD 1 48 GLN HA . . 4.000 2.919 2.260 3.334 . 0 0 "[ . 1 . 2]" 1
901 1 28 ILE MD 1 48 GLN H . . 6.300 3.028 2.635 3.240 . 0 0 "[ . 1 . 2]" 1
902 1 28 ILE MD 1 48 GLN QE . . 6.300 2.748 1.849 3.489 . 0 0 "[ . 1 . 2]" 1
903 1 28 ILE QG 1 48 GLN QE . . 5.800 4.571 3.730 4.668 . 0 0 "[ . 1 . 2]" 1
904 1 28 ILE MG 1 48 GLN QE . . 6.300 4.181 3.387 4.708 . 0 0 "[ . 1 . 2]" 1
905 1 28 ILE MD 1 48 GLN QG . . 5.000 2.153 1.924 2.705 . 0 0 "[ . 1 . 2]" 1
906 1 28 ILE MG 1 48 GLN QG . . 6.300 4.467 4.145 4.675 . 0 0 "[ . 1 . 2]" 1
907 1 28 ILE MD 1 49 GLU H . . 6.300 5.117 4.606 5.275 . 0 0 "[ . 1 . 2]" 1
908 1 31 LEU MD1 1 50 MET QB . . 6.300 2.834 2.611 3.010 . 0 0 "[ . 1 . 2]" 1
909 1 31 LEU MD2 1 50 MET ME . . 6.800 2.621 2.159 3.101 . 0 0 "[ . 1 . 2]" 1
910 1 31 LEU MD1 1 50 MET QG . . 6.300 4.505 4.315 4.682 . 0 0 "[ . 1 . 2]" 1
911 1 27 THR HA 1 51 ILE MD . . 4.000 3.275 3.029 3.353 . 0 0 "[ . 1 . 2]" 1
912 1 27 THR HB 1 51 ILE MD . . 6.300 4.600 4.343 4.752 . 0 0 "[ . 1 . 2]" 1
913 1 27 THR MG 1 51 ILE MD . . 6.800 4.679 4.335 4.761 . 0 0 "[ . 1 . 2]" 1
914 1 27 THR HA 1 51 ILE MG . . 6.300 5.214 4.896 5.297 . 0 0 "[ . 1 . 2]" 1
915 1 28 ILE MD 1 51 ILE HB . . 6.300 3.913 3.190 4.238 . 0 0 "[ . 1 . 2]" 1
916 1 28 ILE HA 1 51 ILE MD . . 4.000 2.534 2.254 2.849 . 0 0 "[ . 1 . 2]" 1
917 1 28 ILE HB 1 51 ILE MD . . 4.000 2.642 2.162 3.153 . 0 0 "[ . 1 . 2]" 1
918 1 28 ILE MD 1 51 ILE MD . . 6.800 3.202 2.686 3.674 . 0 0 "[ . 1 . 2]" 1
919 1 28 ILE QG 1 51 ILE MD . . 6.300 3.813 3.047 4.400 . 0 0 "[ . 1 . 2]" 1
920 1 28 ILE MG 1 51 ILE MD . . 6.800 3.761 3.279 4.221 . 0 0 "[ . 1 . 2]" 1
921 1 28 ILE HB 1 51 ILE QG . . 4.500 3.061 2.696 3.394 . 0 0 "[ . 1 . 2]" 1
922 1 28 ILE MD 1 51 ILE QG . . 6.300 2.394 2.074 3.033 . 0 0 "[ . 1 . 2]" 1
923 1 31 LEU MD1 1 51 ILE HA . . 6.300 3.618 3.296 3.892 . 0 0 "[ . 1 . 2]" 1
924 1 31 LEU MD1 1 51 ILE HB . . 6.300 4.480 4.254 4.721 . 0 0 "[ . 1 . 2]" 1
925 1 31 LEU QB 1 51 ILE MD . . 6.300 3.951 3.813 4.095 . 0 0 "[ . 1 . 2]" 1
926 1 31 LEU MD1 1 51 ILE MD . . 5.500 2.090 1.978 2.237 . 0 0 "[ . 1 . 2]" 1
927 1 31 LEU MD2 1 51 ILE MD . . 6.800 4.075 3.774 4.441 . 0 0 "[ . 1 . 2]" 1
928 1 31 LEU MD1 1 51 ILE QG . . 5.000 2.296 2.046 2.491 . 0 0 "[ . 1 . 2]" 1
929 1 31 LEU MD2 1 51 ILE QG . . 6.300 4.499 4.170 4.691 . 0 0 "[ . 1 . 2]" 1
930 1 51 ILE MD 1 60 ASN HA . . 6.300 2.908 2.228 3.721 . 0 0 "[ . 1 . 2]" 1
931 1 51 ILE H 1 62 ILE MD . . 6.300 4.211 3.891 4.572 . 0 0 "[ . 1 . 2]" 1
932 1 53 GLU QG 1 73 LYS QE . . 5.800 3.759 2.584 4.623 . 0 0 "[ . 1 . 2]" 1
933 1 54 ALA H 1 62 ILE MD . . 6.300 3.776 3.284 4.125 . 0 0 "[ . 1 . 2]" 1
934 1 54 ALA MB 1 66 GLU QB . . 6.300 2.867 2.411 3.451 . 0 0 "[ . 1 . 2]" 1
935 1 54 ALA MB 1 70 ILE HA . . 6.300 5.000 4.699 5.251 . 0 0 "[ . 1 . 2]" 1
936 1 55 ASP QB 1 60 ASN HA . . 5.800 3.933 3.557 5.031 . 0 0 "[ . 1 . 2]" 1
937 1 55 ASP H 1 62 ILE MD . . 6.300 3.192 2.455 4.140 . 0 0 "[ . 1 . 2]" 1
938 1 55 ASP QB 1 62 ILE MD . . 6.300 2.695 1.987 4.180 . 0 0 "[ . 1 . 2]" 1
939 1 55 ASP H 1 66 GLU QB . . 5.800 4.444 3.964 4.855 . 0 0 "[ . 1 . 2]" 1
940 1 56 ARG H 1 66 GLU QB . . 5.800 3.742 2.958 4.150 . 0 0 "[ . 1 . 2]" 1
941 1 56 ARG H 1 66 GLU QG . . 5.800 2.374 1.969 2.929 . 0 0 "[ . 1 . 2]" 1
942 1 57 ASN H 1 66 GLU QG . . 5.800 4.316 3.550 5.218 . 0 0 "[ . 1 . 2]" 1
943 1 51 ILE MG 1 60 ASN HA . . 4.000 2.101 1.952 2.565 . 0 0 "[ . 1 . 2]" 1
944 1 51 ILE MG 1 60 ASN H . . 6.300 3.424 2.792 4.067 . 0 0 "[ . 1 . 2]" 1
945 1 51 ILE MG 1 60 ASN QB . . 6.300 3.084 2.468 3.783 . 0 0 "[ . 1 . 2]" 1
946 1 55 ASP QB 1 60 ASN H . . 5.800 3.884 3.449 4.326 . 0 0 "[ . 1 . 2]" 1
947 1 25 THR HA 1 61 GLU QB . . 5.800 4.334 3.909 4.562 . 0 0 "[ . 1 . 2]" 1
948 1 25 THR HB 1 61 GLU QB . . 3.500 2.138 1.981 2.282 . 0 0 "[ . 1 . 2]" 1
949 1 25 THR MG 1 61 GLU QB . . 5.000 2.767 2.345 3.217 . 0 0 "[ . 1 . 2]" 1
950 1 27 THR HA 1 61 GLU HA . . 3.500 2.595 2.278 3.048 . 0 0 "[ . 1 . 2]" 1
951 1 27 THR HB 1 61 GLU HA . . 4.500 4.392 4.031 4.529 0.029 1 0 "[ . 1 . 2]" 1
952 1 27 THR MG 1 61 GLU H . . 6.300 5.093 4.534 5.311 . 0 0 "[ . 1 . 2]" 1
953 1 27 THR HA 1 61 GLU QB . . 5.800 3.959 2.722 4.896 . 0 0 "[ . 1 . 2]" 1
954 1 27 THR MG 1 61 GLU QB . . 6.300 2.991 2.376 3.655 . 0 0 "[ . 1 . 2]" 1
955 1 27 THR HA 1 61 GLU QG . . 5.800 3.525 2.900 4.054 . 0 0 "[ . 1 . 2]" 1
956 1 27 THR HB 1 61 GLU QG . . 4.500 3.799 3.325 4.037 . 0 0 "[ . 1 . 2]" 1
957 1 27 THR MG 1 61 GLU QG . . 5.000 2.244 2.072 2.390 . 0 0 "[ . 1 . 2]" 1
958 1 51 ILE MD 1 61 GLU HA . . 6.300 3.456 2.356 4.297 . 0 0 "[ . 1 . 2]" 1
959 1 51 ILE MG 1 61 GLU HA . . 6.300 4.466 3.409 5.248 . 0 0 "[ . 1 . 2]" 1
960 1 51 ILE MG 1 61 GLU H . . 6.300 3.889 3.218 4.749 . 0 0 "[ . 1 . 2]" 1
961 1 15 PHE QD 1 62 ILE MG . . 6.300 4.176 3.941 4.480 . 0 0 "[ . 1 . 2]" 1
962 1 25 THR HA 1 62 ILE H . . 5.800 4.622 4.289 4.904 . 0 0 "[ . 1 . 2]" 1
963 1 25 THR HB 1 62 ILE H . . 5.800 3.324 2.843 3.870 . 0 0 "[ . 1 . 2]" 1
964 1 26 ILE HB 1 62 ILE HA . . 5.800 4.782 4.642 4.923 . 0 0 "[ . 1 . 2]" 1
965 1 26 ILE HA 1 62 ILE HB . . 5.800 4.885 4.683 5.051 . 0 0 "[ . 1 . 2]" 1
966 1 26 ILE HB 1 62 ILE HB . . 3.500 2.155 2.079 2.286 . 0 0 "[ . 1 . 2]" 1
967 1 26 ILE MD 1 62 ILE HB . . 6.300 2.236 2.133 2.354 . 0 0 "[ . 1 . 2]" 1
968 1 26 ILE QG 1 62 ILE HB . . 5.800 3.524 3.407 3.657 . 0 0 "[ . 1 . 2]" 1
969 1 26 ILE MG 1 62 ILE HB . . 6.300 3.744 3.594 3.875 . 0 0 "[ . 1 . 2]" 1
970 1 26 ILE HB 1 62 ILE H . . 5.800 3.161 2.838 3.351 . 0 0 "[ . 1 . 2]" 1
971 1 26 ILE H 1 62 ILE H . . 4.500 2.920 2.557 3.157 . 0 0 "[ . 1 . 2]" 1
972 1 26 ILE MD 1 62 ILE H . . 6.300 4.411 4.233 4.524 . 0 0 "[ . 1 . 2]" 1
973 1 26 ILE MG 1 62 ILE H . . 6.300 4.199 3.850 4.424 . 0 0 "[ . 1 . 2]" 1
974 1 26 ILE HB 1 62 ILE MD . . 6.300 4.112 3.514 4.406 . 0 0 "[ . 1 . 2]" 1
975 1 26 ILE MD 1 62 ILE MD . . 6.800 4.222 3.424 4.621 . 0 0 "[ . 1 . 2]" 1
976 1 26 ILE HB 1 62 ILE QG . . 5.800 2.466 2.218 2.826 . 0 0 "[ . 1 . 2]" 1
977 1 26 ILE HB 1 62 ILE MG . . 6.300 3.720 3.544 3.881 . 0 0 "[ . 1 . 2]" 1
978 1 26 ILE MD 1 62 ILE MG . . 6.800 2.792 2.503 3.012 . 0 0 "[ . 1 . 2]" 1
979 1 31 LEU MD1 1 62 ILE MD . . 6.800 2.993 2.355 3.705 . 0 0 "[ . 1 . 2]" 1
980 1 31 LEU MD2 1 62 ILE MD . . 6.800 4.091 3.436 4.720 . 0 0 "[ . 1 . 2]" 1
981 1 51 ILE MD 1 62 ILE H . . 6.300 3.805 3.268 4.268 . 0 0 "[ . 1 . 2]" 1
982 1 51 ILE HA 1 62 ILE MD . . 4.000 2.058 1.985 2.283 . 0 0 "[ . 1 . 2]" 1
983 1 51 ILE HB 1 62 ILE MD . . 6.300 4.328 3.982 4.753 . 0 0 "[ . 1 . 2]" 1
984 1 51 ILE MD 1 62 ILE MD . . 6.800 2.197 2.011 2.448 . 0 0 "[ . 1 . 2]" 1
985 1 51 ILE MG 1 62 ILE MD . . 6.800 2.706 2.297 3.459 . 0 0 "[ . 1 . 2]" 1
986 1 51 ILE HA 1 62 ILE QG . . 4.500 3.748 3.300 4.019 . 0 0 "[ . 1 . 2]" 1
987 1 51 ILE MD 1 62 ILE QG . . 6.300 2.693 2.319 3.038 . 0 0 "[ . 1 . 2]" 1
988 1 51 ILE MG 1 62 ILE QG . . 6.300 4.071 3.543 4.380 . 0 0 "[ . 1 . 2]" 1
989 1 51 ILE HA 1 62 ILE MG . . 6.300 4.625 4.182 4.978 . 0 0 "[ . 1 . 2]" 1
990 1 51 ILE MD 1 62 ILE MG . . 6.800 4.618 4.398 4.749 . 0 0 "[ . 1 . 2]" 1
991 1 54 ALA MB 1 62 ILE HA . . 6.300 4.063 3.718 4.398 . 0 0 "[ . 1 . 2]" 1
992 1 54 ALA MB 1 62 ILE HB . . 6.300 4.559 4.258 4.799 . 0 0 "[ . 1 . 2]" 1
993 1 54 ALA HA 1 62 ILE MD . . 6.300 4.528 4.225 4.913 . 0 0 "[ . 1 . 2]" 1
994 1 54 ALA MB 1 62 ILE MD . . 5.500 2.033 1.909 2.171 . 0 0 "[ . 1 . 2]" 1
995 1 54 ALA MB 1 62 ILE QG . . 6.300 3.458 2.641 3.854 . 0 0 "[ . 1 . 2]" 1
996 1 54 ALA MB 1 62 ILE MG . . 5.500 2.241 2.043 2.443 . 0 0 "[ . 1 . 2]" 1
997 1 55 ASP HA 1 62 ILE HA . . 4.500 3.779 3.226 4.458 . 0 0 "[ . 1 . 2]" 1
998 1 55 ASP HA 1 62 ILE MD . . 5.000 3.571 2.825 4.186 . 0 0 "[ . 1 . 2]" 1
999 1 55 ASP HA 1 62 ILE MG . . 6.300 3.820 3.117 4.325 . 0 0 "[ . 1 . 2]" 1
1000 1 62 ILE MG 1 67 PHE QD . . 6.300 2.348 2.173 2.599 . 0 0 "[ . 1 . 2]" 1
1001 1 62 ILE MG 1 70 ILE MD . . 6.800 4.675 4.295 4.742 . 0 0 "[ . 1 . 2]" 1
1002 1 15 PHE HZ 1 63 ASP HA . . 4.500 2.758 2.458 3.250 . 0 0 "[ . 1 . 2]" 1
1003 1 15 PHE QE 1 63 ASP HA . . 5.800 3.109 2.955 3.277 . 0 0 "[ . 1 . 2]" 1
1004 1 25 THR HA 1 63 ASP HA . . 3.500 2.811 2.458 3.077 . 0 0 "[ . 1 . 2]" 1
1005 1 25 THR HB 1 63 ASP HA . . 3.500 3.525 3.385 3.559 0.059 6 0 "[ . 1 . 2]" 1
1006 1 25 THR MG 1 63 ASP HA . . 4.000 2.382 2.262 2.885 . 0 0 "[ . 1 . 2]" 1
1007 1 25 THR HB 1 63 ASP H . . 5.800 4.615 4.386 4.902 . 0 0 "[ . 1 . 2]" 1
1008 1 25 THR HA 1 63 ASP QB . . 5.800 4.279 3.904 4.537 . 0 0 "[ . 1 . 2]" 1
1009 1 25 THR HB 1 63 ASP QB . . 5.800 4.119 3.711 4.422 . 0 0 "[ . 1 . 2]" 1
1010 1 26 ILE MD 1 63 ASP H . . 6.300 5.296 5.286 5.315 . 0 0 "[ . 1 . 2]" 1
1011 1 12 LEU MD2 1 64 GLU HA . . 6.300 4.258 4.155 4.470 . 0 0 "[ . 1 . 2]" 1
1012 1 12 LEU MD2 1 64 GLU QB . . 6.300 3.613 3.231 3.795 . 0 0 "[ . 1 . 2]" 1
1013 1 12 LEU MD1 1 64 GLU QG . . 6.300 4.666 4.474 4.690 . 0 0 "[ . 1 . 2]" 1
1014 1 15 PHE QE 1 64 GLU HA . . 5.800 3.002 2.661 3.247 . 0 0 "[ . 1 . 2]" 1
1015 1 15 PHE HZ 1 64 GLU H . . 5.800 3.092 2.783 3.680 . 0 0 "[ . 1 . 2]" 1
1016 1 25 THR MG 1 64 GLU H . . 6.300 3.984 3.684 4.518 . 0 0 "[ . 1 . 2]" 1
1017 1 56 ARG QB 1 66 GLU QG . . 4.500 3.207 2.502 3.611 . 0 0 "[ . 1 . 2]" 1
1018 1 56 ARG QD 1 66 GLU QG . . 4.500 2.868 2.151 3.621 . 0 0 "[ . 1 . 2]" 1
1019 1 56 ARG QG 1 66 GLU QG . . 5.800 2.442 2.010 3.738 . 0 0 "[ . 1 . 2]" 1
1020 1 15 PHE QD 1 67 PHE H . . 5.800 4.703 4.453 4.843 . 0 0 "[ . 1 . 2]" 1
1021 1 15 PHE QE 1 67 PHE H . . 5.800 4.132 3.829 4.478 . 0 0 "[ . 1 . 2]" 1
1022 1 15 PHE QE 1 67 PHE QB . . 5.800 2.726 2.470 3.068 . 0 0 "[ . 1 . 2]" 1
1023 1 15 PHE QD 1 67 PHE QD . . 4.500 2.738 2.470 2.907 . 0 0 "[ . 1 . 2]" 1
1024 1 15 PHE QD 1 67 PHE QE . . 5.800 3.868 3.715 4.114 . 0 0 "[ . 1 . 2]" 1
1025 1 26 ILE MD 1 67 PHE QB . . 6.300 2.691 2.530 2.936 . 0 0 "[ . 1 . 2]" 1
1026 1 54 ALA MB 1 67 PHE HA . . 6.300 3.552 3.338 3.936 . 0 0 "[ . 1 . 2]" 1
1027 1 62 ILE MG 1 67 PHE HA . . 4.000 2.661 2.461 2.883 . 0 0 "[ . 1 . 2]" 1
1028 1 62 ILE MG 1 67 PHE H . . 5.000 2.659 2.477 2.881 . 0 0 "[ . 1 . 2]" 1
1029 1 62 ILE MG 1 67 PHE QB . . 5.000 2.207 2.104 2.362 . 0 0 "[ . 1 . 2]" 1
1030 1 8 ARG HA 1 68 ILE MD . . 6.300 4.356 3.892 4.731 . 0 0 "[ . 1 . 2]" 1
1031 1 8 ARG QD 1 68 ILE MD . . 6.300 4.033 2.799 4.691 . 0 0 "[ . 1 . 2]" 1
1032 1 8 ARG QG 1 68 ILE MD . . 6.300 3.193 2.586 3.740 . 0 0 "[ . 1 . 2]" 1
1033 1 11 ILE MD 1 68 ILE HA . . 5.000 2.419 2.320 2.615 . 0 0 "[ . 1 . 2]" 1
1034 1 11 ILE MG 1 68 ILE HA . . 4.000 2.241 2.150 2.357 . 0 0 "[ . 1 . 2]" 1
1035 1 11 ILE MD 1 68 ILE QG . . 6.300 2.579 2.418 2.881 . 0 0 "[ . 1 . 2]" 1
1036 1 11 ILE MG 1 68 ILE QG . . 6.300 1.976 1.942 2.021 . 0 0 "[ . 1 . 2]" 1
1037 1 11 ILE MD 1 68 ILE MG . . 6.800 2.574 2.341 2.740 . 0 0 "[ . 1 . 2]" 1
1038 1 12 LEU HG 1 68 ILE MD . . 6.300 5.265 5.251 5.280 . 0 0 "[ . 1 . 2]" 1
1039 1 12 LEU MD2 1 68 ILE MD . . 5.500 3.735 3.528 3.832 . 0 0 "[ . 1 . 2]" 1
1040 1 12 LEU MD2 1 68 ILE QG . . 6.300 4.291 4.136 4.444 . 0 0 "[ . 1 . 2]" 1
1041 1 15 PHE QD 1 68 ILE H . . 5.800 5.049 4.549 5.191 . 0 0 "[ . 1 . 2]" 1
1042 1 62 ILE MG 1 68 ILE H . . 6.300 4.748 4.600 4.918 . 0 0 "[ . 1 . 2]" 1
1043 1 53 GLU QB 1 70 ILE MD . . 6.300 2.702 2.147 3.295 . 0 0 "[ . 1 . 2]" 1
1044 1 53 GLU QG 1 70 ILE MD . . 6.300 2.234 1.959 3.478 . 0 0 "[ . 1 . 2]" 1
1045 1 54 ALA HA 1 70 ILE HB . . 3.500 2.705 2.209 3.100 . 0 0 "[ . 1 . 2]" 1
1046 1 54 ALA MB 1 70 ILE HB . . 5.000 2.986 2.635 3.284 . 0 0 "[ . 1 . 2]" 1
1047 1 54 ALA HA 1 70 ILE MD . . 5.000 2.609 2.229 3.118 . 0 0 "[ . 1 . 2]" 1
1048 1 54 ALA MB 1 70 ILE MD . . 6.800 2.175 2.103 2.388 . 0 0 "[ . 1 . 2]" 1
1049 1 54 ALA MB 1 70 ILE QG . . 6.300 3.808 3.675 3.958 . 0 0 "[ . 1 . 2]" 1
1050 1 54 ALA HA 1 70 ILE MG . . 6.300 3.443 3.004 3.805 . 0 0 "[ . 1 . 2]" 1
1051 1 54 ALA MB 1 70 ILE MG . . 5.500 2.236 2.065 2.427 . 0 0 "[ . 1 . 2]" 1
1052 1 62 ILE MD 1 70 ILE MG . . 6.800 4.235 3.589 4.652 . 0 0 "[ . 1 . 2]" 1
1053 1 62 ILE MG 1 70 ILE MG . . 6.800 3.253 2.981 3.427 . 0 0 "[ . 1 . 2]" 1
1054 1 11 ILE MD 1 71 MET HA . . 6.300 5.155 5.005 5.266 . 0 0 "[ . 1 . 2]" 1
1055 1 11 ILE MD 1 71 MET H . . 6.300 4.788 4.628 4.964 . 0 0 "[ . 1 . 2]" 1
1056 1 11 ILE MD 1 71 MET QB . . 6.300 2.690 2.515 2.813 . 0 0 "[ . 1 . 2]" 1
1057 1 11 ILE MG 1 71 MET QB . . 6.300 3.137 2.973 3.350 . 0 0 "[ . 1 . 2]" 1
1058 1 11 ILE MD 1 71 MET QG . . 6.300 3.604 3.198 3.980 . 0 0 "[ . 1 . 2]" 1
1059 1 14 ALA MB 1 71 MET ME . . 6.800 4.145 3.622 4.600 . 0 0 "[ . 1 . 2]" 1
1060 1 71 MET ME 1 77 PHE QE . . 6.300 4.353 3.803 4.679 . 0 0 "[ . 1 . 2]" 1
1061 1 11 ILE MD 1 72 LYS H . . 6.300 4.033 3.773 4.376 . 0 0 "[ . 1 . 2]" 1
1062 1 11 ILE MD 1 72 LYS QE . . 6.300 3.573 2.181 4.685 . 0 0 "[ . 1 . 2]" 1
1063 1 71 MET ME 1 76 LEU MD1 . . 6.800 1.914 1.860 2.017 . 0 0 "[ . 1 . 2]" 1
1064 1 7 SER QB 1 77 PHE QB . . 5.800 2.582 2.066 3.361 . 0 0 "[ . 1 . 2]" 1
1065 1 18 PHE QE 2 10 TRP HZ3 . . 5.600 2.526 2.321 3.058 . 0 0 "[ . 1 . 2]" 1
1066 1 26 ILE MD 2 10 TRP HZ3 . . 6.100 3.484 3.130 3.929 . 0 0 "[ . 1 . 2]" 1
1067 1 26 ILE MG 2 10 TRP HH2 . . 6.100 3.401 3.162 3.547 . 0 0 "[ . 1 . 2]" 1
1068 1 31 LEU MD1 2 10 TRP HH2 . . 6.100 2.841 2.546 3.286 . 0 0 "[ . 1 . 2]" 1
1069 1 31 LEU MD1 2 10 TRP HZ2 . . 6.100 3.532 3.115 3.851 . 0 0 "[ . 1 . 2]" 1
1070 1 31 LEU MD1 2 10 TRP HZ3 . . 6.100 4.190 3.879 4.601 . 0 0 "[ . 1 . 2]" 1
1071 1 31 LEU MD2 2 10 TRP HH2 . . 6.100 2.207 2.129 2.331 . 0 0 "[ . 1 . 2]" 1
1072 1 31 LEU MD2 2 10 TRP HZ2 . . 6.100 4.007 3.716 4.161 . 0 0 "[ . 1 . 2]" 1
1073 1 31 LEU MD2 2 10 TRP HZ3 . . 6.100 2.462 2.202 2.778 . 0 0 "[ . 1 . 2]" 1
1074 1 34 VAL MG1 2 13 LEU HA . . 6.100 4.172 3.250 5.094 . 0 0 "[ . 1 . 2]" 1
1075 1 35 ALA H 2 13 LEU QD . . 6.100 3.397 3.129 4.135 . 0 0 "[ . 1 . 2]" 1
1076 1 38 LEU MD1 2 16 HIS QB . . 6.100 2.939 2.407 3.829 . 0 0 "[ . 1 . 2]" 1
1077 1 50 MET ME 2 10 TRP HD1 . . 6.100 4.501 3.995 5.105 . 0 0 "[ . 1 . 2]" 1
1078 1 50 MET ME 2 10 TRP HE3 . . 6.100 3.405 2.988 3.785 . 0 0 "[ . 1 . 2]" 1
1079 1 50 MET ME 2 10 TRP HZ2 . . 6.100 3.856 3.454 4.268 . 0 0 "[ . 1 . 2]" 1
1080 1 50 MET ME 2 10 TRP HZ3 . . 6.100 3.732 3.437 4.091 . 0 0 "[ . 1 . 2]" 1
1081 1 51 ILE HA 2 10 TRP HH2 . . 5.600 4.745 4.154 5.493 . 0 0 "[ . 1 . 2]" 1
1082 1 51 ILE MD 2 10 TRP HH2 . . 6.100 4.471 3.934 5.058 . 0 0 "[ . 1 . 2]" 1
1083 1 51 ILE MD 2 10 TRP HZ2 . . 6.100 4.490 4.171 4.941 . 0 0 "[ . 1 . 2]" 1
1084 1 53 GLU H 2 10 TRP HE1 . . 5.600 4.717 4.279 4.955 . 0 0 "[ . 1 . 2]" 1
1085 1 54 ALA MB 2 10 TRP HZ2 . . 6.100 2.629 2.207 3.100 . 0 0 "[ . 1 . 2]" 1
1086 1 62 ILE MD 2 10 TRP HH2 . . 6.100 3.149 2.242 3.576 . 0 0 "[ . 1 . 2]" 1
1087 1 62 ILE QG 2 10 TRP HZ2 . . 5.600 3.320 2.875 4.190 . 0 0 "[ . 1 . 2]" 1
1088 1 62 ILE MG 2 10 TRP HZ2 . . 6.100 3.811 3.227 4.208 . 0 0 "[ . 1 . 2]" 1
1089 1 70 ILE MD 2 10 TRP HD1 . . 6.100 2.489 2.325 2.714 . 0 0 "[ . 1 . 2]" 1
1090 1 70 ILE QG 2 10 TRP HD1 . . 5.600 3.384 3.196 3.781 . 0 0 "[ . 1 . 2]" 1
1091 1 70 ILE MG 2 10 TRP HZ2 . . 6.100 3.923 3.658 4.124 . 0 0 "[ . 1 . 2]" 1
1092 1 71 MET ME 2 10 TRP HD1 . . 6.100 5.032 4.669 5.130 . 0 0 "[ . 1 . 2]" 1
1093 1 76 LEU MD2 2 11 HIS QB . . 6.100 3.745 3.176 4.013 . 0 0 "[ . 1 . 2]" 1
1094 1 50 MET ME 2 9 LYS QB . . 5.100 2.525 2.144 3.511 . 0 0 "[ . 1 . 2]" 1
1095 1 18 PHE HZ 2 10 TRP HZ3 . . 4.600 4.274 3.348 4.615 0.015 1 0 "[ . 1 . 2]" 1
1096 1 18 PHE QD 2 10 TRP HZ3 . . 6.100 2.793 2.471 3.554 . 0 0 "[ . 1 . 2]" 1
1097 1 26 ILE MD 2 10 TRP HH2 . . 5.100 3.411 3.007 3.656 . 0 0 "[ . 1 . 2]" 1
1098 1 26 ILE MD 2 10 TRP HZ2 . . 6.600 5.262 4.904 5.508 . 0 0 "[ . 1 . 2]" 1
1099 1 26 ILE MG 2 10 TRP HZ2 . . 6.600 5.408 5.149 5.523 . 0 0 "[ . 1 . 2]" 1
1100 1 26 ILE MG 2 10 TRP HZ3 . . 6.600 3.618 3.159 3.948 . 0 0 "[ . 1 . 2]" 1
1101 1 31 LEU MD2 2 10 TRP HE3 . . 5.100 4.042 3.755 4.266 . 0 0 "[ . 1 . 2]" 1
1102 1 50 MET ME 2 10 TRP HA . . 5.100 3.052 2.477 4.139 . 0 0 "[ . 1 . 2]" 1
1103 1 50 MET HA 2 10 TRP HD1 . . 4.600 4.161 3.368 4.609 0.009 16 0 "[ . 1 . 2]" 1
1104 1 50 MET HA 2 10 TRP HE1 . . 4.200 2.768 2.426 2.976 . 0 0 "[ . 1 . 2]" 1
1105 1 50 MET QB 2 10 TRP HE1 . . 5.600 2.977 2.617 3.313 . 0 0 "[ . 1 . 2]" 1
1106 1 50 MET ME 2 10 TRP HE1 . . 6.100 4.216 3.854 4.618 . 0 0 "[ . 1 . 2]" 1
1107 1 50 MET ME 2 10 TRP HH2 . . 6.600 3.919 3.510 4.322 . 0 0 "[ . 1 . 2]" 1
1108 1 50 MET HA 2 10 TRP HZ2 . . 4.600 4.270 4.029 4.603 0.003 7 0 "[ . 1 . 2]" 1
1109 1 50 MET QB 2 10 TRP HZ2 . . 4.600 2.886 2.661 3.136 . 0 0 "[ . 1 . 2]" 1
1110 1 51 ILE HA 2 10 TRP HZ2 . . 4.600 3.319 3.066 3.720 . 0 0 "[ . 1 . 2]" 1
1111 1 51 ILE MG 2 10 TRP HZ2 . . 6.600 5.310 5.016 5.531 . 0 0 "[ . 1 . 2]" 1
1112 1 53 GLU QB 2 10 TRP HD1 . . 4.600 4.068 3.787 4.161 . 0 0 "[ . 1 . 2]" 1
1113 1 53 GLU QB 2 10 TRP HE1 . . 5.600 2.805 2.186 3.304 . 0 0 "[ . 1 . 2]" 1
1114 1 54 ALA MB 2 10 TRP HE1 . . 6.100 2.955 2.352 3.450 . 0 0 "[ . 1 . 2]" 1
1115 1 54 ALA MB 2 10 TRP HH2 . . 6.100 4.075 3.541 4.551 . 0 0 "[ . 1 . 2]" 1
1116 1 62 ILE QG 2 10 TRP HH2 . . 4.600 2.335 2.155 3.418 . 0 0 "[ . 1 . 2]" 1
1117 1 62 ILE MG 2 10 TRP HH2 . . 6.100 3.499 3.083 3.916 . 0 0 "[ . 1 . 2]" 1
1118 1 62 ILE MD 2 10 TRP HZ2 . . 5.100 2.646 2.106 3.229 . 0 0 "[ . 1 . 2]" 1
1119 1 62 ILE MD 2 10 TRP HZ3 . . 6.600 5.208 4.349 5.565 . 0 0 "[ . 1 . 2]" 1
1120 1 67 PHE QE 2 10 TRP HH2 . . 6.100 3.925 3.590 4.340 . 0 0 "[ . 1 . 2]" 1
1121 1 67 PHE HZ 2 10 TRP HZ3 . . 4.600 4.579 4.419 4.632 0.032 7 0 "[ . 1 . 2]" 1
1122 1 67 PHE QE 2 10 TRP HZ3 . . 6.100 2.678 2.488 2.883 . 0 0 "[ . 1 . 2]" 1
1123 1 70 ILE MG 2 10 TRP HD1 . . 5.100 4.296 4.262 4.326 . 0 0 "[ . 1 . 2]" 1
1124 1 70 ILE MD 2 10 TRP HE1 . . 6.100 2.276 2.140 2.487 . 0 0 "[ . 1 . 2]" 1
1125 1 70 ILE MG 2 10 TRP HE1 . . 6.100 3.753 3.575 3.932 . 0 0 "[ . 1 . 2]" 1
1126 1 70 ILE MG 2 10 TRP HE3 . . 6.600 4.808 4.516 5.196 . 0 0 "[ . 1 . 2]" 1
1127 1 70 ILE MG 2 10 TRP HH2 . . 6.600 4.708 4.457 4.966 . 0 0 "[ . 1 . 2]" 1
1128 1 70 ILE MD 2 10 TRP HZ2 . . 6.600 3.869 3.585 4.162 . 0 0 "[ . 1 . 2]" 1
1129 1 71 MET ME 2 10 TRP HA . . 6.600 4.177 3.782 4.514 . 0 0 "[ . 1 . 2]" 1
1130 1 71 MET ME 2 10 TRP HE3 . . 5.100 3.280 2.706 3.584 . 0 0 "[ . 1 . 2]" 1
1131 1 71 MET ME 2 10 TRP HZ3 . . 6.600 4.496 3.941 4.690 . 0 0 "[ . 1 . 2]" 1
1132 1 71 MET ME 2 10 TRP QB . . 5.100 2.697 2.291 2.945 . 0 0 "[ . 1 . 2]" 1
1133 1 74 THR MG 2 10 TRP HD1 . . 5.100 4.020 3.673 4.269 . 0 0 "[ . 1 . 2]" 1
1134 1 76 LEU MD1 2 10 TRP HA . . 6.600 3.704 3.525 4.396 . 0 0 "[ . 1 . 2]" 1
1135 1 76 LEU MD2 2 10 TRP HA . . 5.100 4.311 4.285 4.346 . 0 0 "[ . 1 . 2]" 1
1136 1 76 LEU MD1 2 10 TRP HD1 . . 6.600 4.320 4.037 4.528 . 0 0 "[ . 1 . 2]" 1
1137 1 76 LEU MD1 2 10 TRP HE3 . . 6.600 4.132 3.901 4.382 . 0 0 "[ . 1 . 2]" 1
1138 1 76 LEU MD1 2 10 TRP QB . . 5.100 1.997 1.920 2.268 . 0 0 "[ . 1 . 2]" 1
1139 1 71 MET ME 2 11 HIS HA . . 6.600 4.860 4.379 5.197 . 0 0 "[ . 1 . 2]" 1
1140 1 74 THR MG 2 11 HIS HA . . 5.100 3.970 3.586 4.263 . 0 0 "[ . 1 . 2]" 1
1141 1 74 THR MG 2 11 HIS QB . . 6.600 3.324 2.442 4.538 . 0 0 "[ . 1 . 2]" 1
1142 1 76 LEU MD1 2 11 HIS HA . . 5.100 2.639 2.258 3.693 . 0 0 "[ . 1 . 2]" 1
1143 1 76 LEU MD2 2 11 HIS HA . . 5.100 2.098 1.997 2.197 . 0 0 "[ . 1 . 2]" 1
1144 1 76 LEU MD1 2 11 HIS QB . . 6.600 3.318 2.382 4.242 . 0 0 "[ . 1 . 2]" 1
1145 1 18 PHE HZ 2 13 LEU HG . . 4.600 4.277 3.030 4.637 0.037 18 0 "[ . 1 . 2]" 1
1146 1 18 PHE HZ 2 13 LEU QD . . 6.600 2.945 2.336 3.907 . 0 0 "[ . 1 . 2]" 1
1147 1 18 PHE QD 2 13 LEU QD . . 6.600 3.776 3.204 4.274 . 0 0 "[ . 1 . 2]" 1
1148 1 18 PHE QE 2 13 LEU QD . . 6.600 2.854 2.354 3.593 . 0 0 "[ . 1 . 2]" 1
1149 1 31 LEU HA 2 13 LEU QD . . 6.600 3.636 3.131 4.308 . 0 0 "[ . 1 . 2]" 1
1150 1 31 LEU QB 2 13 LEU QD . . 6.600 3.570 3.073 4.146 . 0 0 "[ . 1 . 2]" 1
1151 1 31 LEU MD2 2 13 LEU QD . . 7.100 2.896 2.095 3.668 . 0 0 "[ . 1 . 2]" 1
1152 1 34 VAL MG1 2 13 LEU HG . . 5.100 4.127 2.453 4.318 . 0 0 "[ . 1 . 2]" 1
1153 1 34 VAL HB 2 13 LEU QD . . 6.600 3.184 2.716 4.560 . 0 0 "[ . 1 . 2]" 1
1154 1 34 VAL MG1 2 13 LEU QD . . 7.100 2.087 1.908 3.665 . 0 0 "[ . 1 . 2]" 1
1155 1 35 ALA HA 2 13 LEU QD . . 5.100 2.498 2.197 2.933 . 0 0 "[ . 1 . 2]" 1
1156 1 35 ALA MB 2 13 LEU QD . . 7.100 2.481 2.162 3.068 . 0 0 "[ . 1 . 2]" 1
1157 1 38 LEU MD1 2 13 LEU HA . . 5.100 2.327 1.984 2.681 . 0 0 "[ . 1 . 2]" 1
1158 1 38 LEU MD2 2 13 LEU HA . . 5.100 4.229 3.864 4.302 . 0 0 "[ . 1 . 2]" 1
1159 1 38 LEU MD1 2 13 LEU HG . . 5.100 4.073 2.714 4.298 . 0 0 "[ . 1 . 2]" 1
1160 1 38 LEU QB 2 13 LEU QD . . 6.600 3.451 2.940 3.954 . 0 0 "[ . 1 . 2]" 1
1161 1 38 LEU MD1 2 13 LEU QD . . 7.100 2.017 1.809 2.413 . 0 0 "[ . 1 . 2]" 1
1162 1 38 LEU MD2 2 13 LEU QD . . 7.100 4.049 3.482 4.387 . 0 0 "[ . 1 . 2]" 1
1163 1 40 GLU QB 2 13 LEU QD . . 6.600 3.223 2.689 3.952 . 0 0 "[ . 1 . 2]" 1
1164 1 40 GLU QG 2 13 LEU QD . . 6.600 3.399 2.429 4.345 . 0 0 "[ . 1 . 2]" 1
1165 1 42 LEU MD1 2 13 LEU HG . . 5.100 3.957 3.054 4.320 . 0 0 "[ . 1 . 2]" 1
1166 1 42 LEU MD1 2 13 LEU QD . . 5.600 2.417 1.930 3.017 . 0 0 "[ . 1 . 2]" 1
1167 1 47 LEU MD2 2 13 LEU QD . . 7.100 3.589 2.904 4.063 . 0 0 "[ . 1 . 2]" 1
1168 1 50 MET ME 2 13 LEU HG . . 5.100 3.007 2.188 4.258 . 0 0 "[ . 1 . 2]" 1
1169 1 50 MET ME 2 13 LEU QB . . 6.600 3.753 2.514 4.442 . 0 0 "[ . 1 . 2]" 1
1170 1 50 MET ME 2 13 LEU QD . . 7.100 2.212 1.939 3.135 . 0 0 "[ . 1 . 2]" 1
1171 1 14 ALA MB 2 14 LEU HA . . 6.600 4.945 4.365 5.342 . 0 0 "[ . 1 . 2]" 1
1172 1 14 ALA MB 2 14 LEU QD . . 7.100 2.037 1.898 2.443 . 0 0 "[ . 1 . 2]" 1
1173 1 17 LEU MD1 2 14 LEU HA . . 6.600 4.944 4.645 5.293 . 0 0 "[ . 1 . 2]" 1
1174 1 17 LEU MD2 2 14 LEU HA . . 5.100 4.278 4.257 4.301 . 0 0 "[ . 1 . 2]" 1
1175 1 17 LEU MD2 2 14 LEU QD . . 7.100 3.013 2.353 4.388 . 0 0 "[ . 1 . 2]" 1
1176 1 18 PHE HZ 2 14 LEU HA . . 4.600 3.696 2.357 4.624 0.024 7 0 "[ . 1 . 2]" 1
1177 1 18 PHE HZ 2 14 LEU HG . . 4.600 3.173 2.193 4.647 0.047 17 0 "[ . 1 . 2]" 1
1178 1 18 PHE HZ 2 14 LEU QD . . 6.600 2.359 1.997 3.056 . 0 0 "[ . 1 . 2]" 1
1179 1 18 PHE QE 2 14 LEU QD . . 6.600 2.543 2.018 2.734 . 0 0 "[ . 1 . 2]" 1
1180 1 67 PHE HZ 2 14 LEU QD . . 6.600 2.684 2.346 3.159 . 0 0 "[ . 1 . 2]" 1
1181 1 67 PHE QE 2 14 LEU QD . . 6.600 3.460 2.871 3.947 . 0 0 "[ . 1 . 2]" 1
1182 1 71 MET ME 2 14 LEU QD . . 7.100 2.177 1.890 2.661 . 0 0 "[ . 1 . 2]" 1
1183 1 71 MET ME 2 15 PHE HZ . . 6.600 5.553 5.524 5.578 . 0 0 "[ . 1 . 2]" 1
1184 1 71 MET ME 2 15 PHE QE . . 6.600 4.936 4.874 4.961 . 0 0 "[ . 1 . 2]" 1
1185 1 74 THR MG 2 15 PHE HZ . . 5.100 4.242 3.965 4.291 . 0 0 "[ . 1 . 2]" 1
1186 1 74 THR MG 2 15 PHE QE . . 6.600 4.408 3.712 4.695 . 0 0 "[ . 1 . 2]" 1
1187 1 75 SER QB 2 15 PHE HZ . . 4.600 4.135 4.113 4.166 . 0 0 "[ . 1 . 2]" 1
1188 1 75 SER QB 2 15 PHE QE . . 6.100 4.770 4.626 4.865 . 0 0 "[ . 1 . 2]" 1
1189 1 76 LEU QB 2 15 PHE HZ . . 4.600 4.062 3.842 4.128 . 0 0 "[ . 1 . 2]" 1
1190 1 76 LEU MD1 2 15 PHE HZ . . 5.100 4.008 3.747 4.227 . 0 0 "[ . 1 . 2]" 1
1191 1 76 LEU MD2 2 15 PHE HZ . . 5.100 3.104 2.717 3.428 . 0 0 "[ . 1 . 2]" 1
1192 1 76 LEU MD1 2 15 PHE QD . . 6.600 4.931 4.905 5.008 . 0 0 "[ . 1 . 2]" 1
1193 1 76 LEU MD2 2 15 PHE QD . . 5.100 2.931 2.778 3.084 . 0 0 "[ . 1 . 2]" 1
1194 1 76 LEU QB 2 15 PHE QE . . 4.600 3.577 3.350 3.672 . 0 0 "[ . 1 . 2]" 1
1195 1 76 LEU MD1 2 15 PHE QE . . 6.600 4.091 3.976 4.212 . 0 0 "[ . 1 . 2]" 1
1196 1 76 LEU MD2 2 15 PHE QE . . 5.100 2.175 2.095 2.440 . 0 0 "[ . 1 . 2]" 1
1197 1 38 LEU MD2 2 16 HIS HA . . 6.600 5.025 4.330 5.517 . 0 0 "[ . 1 . 2]" 1
1198 1 38 LEU MD1 2 16 HIS HD2 . . 5.100 3.026 2.302 4.257 . 0 0 "[ . 1 . 2]" 1
1199 1 38 LEU MD2 2 16 HIS HD2 . . 5.100 3.366 2.073 4.262 . 0 0 "[ . 1 . 2]" 1
1200 1 38 LEU MD2 2 16 HIS QB . . 5.100 2.944 2.316 3.413 . 0 0 "[ . 1 . 2]" 1
1201 1 40 GLU QG 2 16 HIS HD2 . . 6.100 3.660 2.288 5.473 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 26
_Distance_constraint_stats_list.Viol_count 50
_Distance_constraint_stats_list.Viol_total 661.327
_Distance_constraint_stats_list.Viol_max 1.760
_Distance_constraint_stats_list.Viol_rms 0.3111
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0636
_Distance_constraint_stats_list.Viol_average_violations_only 0.6613
_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 14 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 THR 32.289 1.760 11 20 [******-***+*********]
1 28 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ASP 32.289 1.760 11 20 [******-***+*********]
1 31 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 THR 0.018 0.009 4 0 "[ . 1 . 2]"
1 44 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLU 0.054 0.027 12 0 "[ . 1 . 2]"
1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 MET 0.541 0.089 6 0 "[ . 1 . 2]"
1 51 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ALA 0.506 0.089 6 0 "[ . 1 . 2]"
1 56 ARG 0.128 0.042 15 0 "[ . 1 . 2]"
1 57 ASN 0.090 0.024 4 0 "[ . 1 . 2]"
1 59 ASP 0.090 0.024 4 0 "[ . 1 . 2]"
1 61 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLU 0.128 0.042 15 0 "[ . 1 . 2]"
1 67 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 MET 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 14 ALA O 1 18 PHE H . . 2.300 1.831 1.810 1.864 . 0 0 "[ . 1 . 2]" 2
2 1 26 ILE H 1 62 ILE O . . 2.300 1.861 1.811 1.937 . 0 0 "[ . 1 . 2]" 2
3 1 27 THR H 1 30 ASP OD1 . . 2.300 3.914 3.752 4.060 1.760 11 20 [******-***+*********] 2
4 1 27 THR O 1 31 LEU H . . 2.300 1.905 1.848 2.089 . 0 0 "[ . 1 . 2]" 2
5 1 28 ILE O 1 32 ARG H . . 2.300 1.863 1.825 1.972 . 0 0 "[ . 1 . 2]" 2
6 1 30 ASP O 1 34 VAL H . . 2.300 1.859 1.804 1.940 . 0 0 "[ . 1 . 2]" 2
7 1 31 LEU O 1 35 ALA H . . 2.300 1.824 1.801 1.872 . 0 0 "[ . 1 . 2]" 2
8 1 43 THR OG1 1 46 GLU H . . 2.300 2.134 1.956 2.309 0.009 4 0 "[ . 1 . 2]" 2
9 1 43 THR O 1 47 LEU H . . 2.300 1.886 1.824 1.963 . 0 0 "[ . 1 . 2]" 2
10 1 44 GLU O 1 48 GLN H . . 2.300 1.821 1.804 1.839 . 0 0 "[ . 1 . 2]" 2
11 1 45 GLU O 1 49 GLU H . . 2.300 1.896 1.848 1.953 . 0 0 "[ . 1 . 2]" 2
12 1 46 GLU O 1 50 MET H . . 2.300 2.087 1.933 2.327 0.027 12 0 "[ . 1 . 2]" 2
13 1 47 LEU O 1 51 ILE H . . 2.300 1.804 1.778 1.848 . 0 0 "[ . 1 . 2]" 2
14 1 48 GLN O 1 52 ALA H . . 2.300 1.787 1.772 1.802 . 0 0 "[ . 1 . 2]" 2
15 1 50 MET O 1 54 ALA H . . 2.300 2.206 1.859 2.389 0.089 6 0 "[ . 1 . 2]" 2
16 1 56 ARG H 1 66 GLU OE2 . . 2.300 2.041 1.785 2.342 0.042 15 0 "[ . 1 . 2]" 2
17 1 57 ASN OD1 1 59 ASP H . . 2.300 2.053 1.803 2.324 0.024 4 0 "[ . 1 . 2]" 2
18 1 59 ASP OD1 1 61 GLU H . . 2.300 1.913 1.813 2.070 . 0 0 "[ . 1 . 2]" 2
19 1 26 ILE O 1 62 ILE H . . 2.300 1.803 1.783 1.828 . 0 0 "[ . 1 . 2]" 2
20 1 63 ASP H 1 66 GLU OE1 . . 2.300 1.816 1.784 1.907 . 0 0 "[ . 1 . 2]" 2
21 1 63 ASP OD1 1 66 GLU H . . 2.300 1.837 1.805 1.886 . 0 0 "[ . 1 . 2]" 2
22 1 63 ASP O 1 67 PHE H . . 2.300 1.913 1.879 1.959 . 0 0 "[ . 1 . 2]" 2
23 1 64 GLU O 1 68 ILE H . . 2.300 1.785 1.768 1.818 . 0 0 "[ . 1 . 2]" 2
24 1 65 ASP O 1 69 ARG H . . 2.300 1.826 1.788 1.892 . 0 0 "[ . 1 . 2]" 2
25 1 66 GLU O 1 70 ILE H . . 2.300 1.946 1.866 2.122 . 0 0 "[ . 1 . 2]" 2
26 1 67 PHE O 1 71 MET H . . 2.300 1.817 1.802 1.834 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 26
_Distance_constraint_stats_list.Viol_count 114
_Distance_constraint_stats_list.Viol_total 36.354
_Distance_constraint_stats_list.Viol_max 0.058
_Distance_constraint_stats_list.Viol_rms 0.0088
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0035
_Distance_constraint_stats_list.Viol_average_violations_only 0.0159
_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 14 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ILE 0.186 0.027 19 0 "[ . 1 . 2]"
1 27 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LEU 0.022 0.008 13 0 "[ . 1 . 2]"
1 32 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ALA 0.022 0.008 13 0 "[ . 1 . 2]"
1 43 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLU 0.653 0.058 10 0 "[ . 1 . 2]"
1 45 GLU 0.033 0.022 7 0 "[ . 1 . 2]"
1 46 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LEU 0.036 0.012 4 0 "[ . 1 . 2]"
1 48 GLN 0.978 0.058 10 0 "[ . 1 . 2]"
1 49 GLU 0.033 0.022 7 0 "[ . 1 . 2]"
1 50 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ILE 0.036 0.012 4 0 "[ . 1 . 2]"
1 52 ALA 0.325 0.054 3 0 "[ . 1 . 2]"
1 54 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ARG 0.081 0.025 1 0 "[ . 1 . 2]"
1 57 ASN 0.068 0.028 19 0 "[ . 1 . 2]"
1 59 ASP 0.224 0.048 3 0 "[ . 1 . 2]"
1 61 GLU 0.156 0.048 3 0 "[ . 1 . 2]"
1 62 ILE 0.186 0.027 19 0 "[ . 1 . 2]"
1 63 ASP 0.056 0.035 8 0 "[ . 1 . 2]"
1 64 GLU 0.171 0.020 12 0 "[ . 1 . 2]"
1 65 ASP 0.015 0.008 18 0 "[ . 1 . 2]"
1 66 GLU 0.136 0.035 8 0 "[ . 1 . 2]"
1 67 PHE 0.016 0.006 16 0 "[ . 1 . 2]"
1 68 ILE 0.171 0.020 12 0 "[ . 1 . 2]"
1 69 ARG 0.015 0.008 18 0 "[ . 1 . 2]"
1 70 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 MET 0.016 0.006 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 14 ALA O 1 18 PHE N . 2.800 . 2.829 2.802 2.863 . 0 0 "[ . 1 . 2]" 3
2 1 26 ILE N 1 62 ILE O . 2.800 . 2.837 2.786 2.895 0.014 20 0 "[ . 1 . 2]" 3
3 1 27 THR N 1 30 ASP OD1 . 2.800 . 4.894 4.686 5.036 . 0 0 "[ . 1 . 2]" 3
4 1 27 THR O 1 31 LEU N . 2.800 . 2.910 2.854 3.083 . 0 0 "[ . 1 . 2]" 3
5 1 28 ILE O 1 32 ARG N . 2.800 . 2.864 2.827 2.959 . 0 0 "[ . 1 . 2]" 3
6 1 30 ASP O 1 34 VAL N . 2.800 . 2.874 2.813 2.958 . 0 0 "[ . 1 . 2]" 3
7 1 31 LEU O 1 35 ALA N . 2.800 . 2.825 2.792 2.883 0.008 13 0 "[ . 1 . 2]" 3
8 1 43 THR OG1 1 46 GLU N . 2.800 . 3.135 2.959 3.309 . 0 0 "[ . 1 . 2]" 3
9 1 43 THR O 1 47 LEU N . 2.800 . 2.901 2.838 2.978 . 0 0 "[ . 1 . 2]" 3
10 1 44 GLU O 1 48 GLN N . 2.800 . 2.767 2.742 2.792 0.058 10 0 "[ . 1 . 2]" 3
11 1 45 GLU O 1 49 GLU N . 2.800 . 2.832 2.778 2.916 0.022 7 0 "[ . 1 . 2]" 3
12 1 46 GLU O 1 50 MET N . 2.800 . 3.079 2.938 3.309 . 0 0 "[ . 1 . 2]" 3
13 1 47 LEU O 1 51 ILE N . 2.800 . 2.813 2.788 2.850 0.012 4 0 "[ . 1 . 2]" 3
14 1 48 GLN O 1 52 ALA N . 2.800 . 2.784 2.746 2.793 0.054 3 0 "[ . 1 . 2]" 3
15 1 50 MET O 1 54 ALA N . 2.800 . 3.138 2.867 3.292 . 0 0 "[ . 1 . 2]" 3
16 1 56 ARG N 1 66 GLU OE2 . 2.800 . 2.868 2.775 3.103 0.025 1 0 "[ . 1 . 2]" 3
17 1 57 ASN OD1 1 59 ASP N . 2.800 . 2.858 2.772 2.999 0.028 19 0 "[ . 1 . 2]" 3
18 1 59 ASP OD1 1 61 GLU N . 2.800 . 2.827 2.752 2.937 0.048 3 0 "[ . 1 . 2]" 3
19 1 26 ILE O 1 62 ILE N . 2.800 . 2.796 2.773 2.835 0.027 19 0 "[ . 1 . 2]" 3
20 1 63 ASP N 1 66 GLU OE1 . 2.800 . 2.814 2.765 2.888 0.035 8 0 "[ . 1 . 2]" 3
21 1 63 ASP OD1 1 66 GLU N . 2.800 . 2.848 2.817 2.899 . 0 0 "[ . 1 . 2]" 3
22 1 63 ASP O 1 67 PHE N . 2.800 . 2.889 2.848 2.924 . 0 0 "[ . 1 . 2]" 3
23 1 64 GLU O 1 68 ILE N . 2.800 . 2.795 2.780 2.819 0.020 12 0 "[ . 1 . 2]" 3
24 1 65 ASP O 1 69 ARG N . 2.800 . 2.829 2.792 2.891 0.008 18 0 "[ . 1 . 2]" 3
25 1 66 GLU O 1 70 ILE N . 2.800 . 2.954 2.875 3.128 . 0 0 "[ . 1 . 2]" 3
26 1 67 PHE O 1 71 MET N . 2.800 . 2.813 2.794 2.834 0.006 16 0 "[ . 1 . 2]" 3
stop_
save_
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