NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
579785 |
2mog   |
19942 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mog
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 1040
_Distance_constraint_stats_list.Viol_count 781
_Distance_constraint_stats_list.Viol_total 967.942
_Distance_constraint_stats_list.Viol_max 0.274
_Distance_constraint_stats_list.Viol_rms 0.0152
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0023
_Distance_constraint_stats_list.Viol_average_violations_only 0.0620
_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 ALA 0.193 0.051 15 0 "[ . 1 . 2]"
1 4 THR 0.173 0.077 11 0 "[ . 1 . 2]"
1 5 LEU 0.605 0.127 16 0 "[ . 1 . 2]"
1 6 SER 0.258 0.065 9 0 "[ . 1 . 2]"
1 7 SER 2.623 0.136 16 0 "[ . 1 . 2]"
1 8 ILE 1.257 0.121 5 0 "[ . 1 . 2]"
1 9 SER 0.758 0.192 1 0 "[ . 1 . 2]"
1 10 ILE 2.237 0.192 1 0 "[ . 1 . 2]"
1 11 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 PRO 2.781 0.221 3 0 "[ . 1 . 2]"
1 13 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ASN 0.286 0.169 14 0 "[ . 1 . 2]"
1 17 ILE 0.004 0.004 7 0 "[ . 1 . 2]"
1 18 ASN 0.076 0.057 5 0 "[ . 1 . 2]"
1 20 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LYS 0.047 0.042 19 0 "[ . 1 . 2]"
1 24 GLN 2.532 0.113 19 0 "[ . 1 . 2]"
1 25 PHE 7.022 0.274 17 0 "[ . 1 . 2]"
1 26 PHE 11.467 0.274 17 0 "[ . 1 . 2]"
1 27 ALA 2.647 0.154 13 0 "[ . 1 . 2]"
1 28 VAL 2.939 0.125 1 0 "[ . 1 . 2]"
1 29 GLY 0.240 0.060 9 0 "[ . 1 . 2]"
1 30 THR 1.163 0.090 17 0 "[ . 1 . 2]"
1 31 TYR 0.846 0.090 8 0 "[ . 1 . 2]"
1 32 SER 3.658 0.136 16 0 "[ . 1 . 2]"
1 33 ASP 0.132 0.051 14 0 "[ . 1 . 2]"
1 34 GLY 0.168 0.051 15 0 "[ . 1 . 2]"
1 35 THR 2.038 0.131 14 0 "[ . 1 . 2]"
1 36 LYS 0.145 0.101 13 0 "[ . 1 . 2]"
1 37 ALA 0.815 0.077 7 0 "[ . 1 . 2]"
1 38 ASP 0.146 0.037 8 0 "[ . 1 . 2]"
1 39 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 THR 0.696 0.148 17 0 "[ . 1 . 2]"
1 41 SER 4.082 0.209 13 0 "[ . 1 . 2]"
1 42 SER 2.291 0.209 13 0 "[ . 1 . 2]"
1 43 VAL 0.617 0.097 11 0 "[ . 1 . 2]"
1 44 THR 1.414 0.164 19 0 "[ . 1 . 2]"
1 45 TRP 5.415 0.162 3 0 "[ . 1 . 2]"
1 46 SER 0.106 0.054 10 0 "[ . 1 . 2]"
1 47 SER 0.824 0.106 8 0 "[ . 1 . 2]"
1 48 SER 0.437 0.076 9 0 "[ . 1 . 2]"
1 49 ASN 0.091 0.041 4 0 "[ . 1 . 2]"
1 50 GLN 0.017 0.017 17 0 "[ . 1 . 2]"
1 51 SER 0.062 0.062 12 0 "[ . 1 . 2]"
1 52 GLN 0.535 0.090 12 0 "[ . 1 . 2]"
1 53 ALA 0.134 0.062 12 0 "[ . 1 . 2]"
1 54 LYS 3.256 0.188 6 0 "[ . 1 . 2]"
1 55 VAL 0.925 0.160 16 0 "[ . 1 . 2]"
1 56 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ASN 1.813 0.164 19 0 "[ . 1 . 2]"
1 58 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 SER 0.184 0.072 18 0 "[ . 1 . 2]"
1 60 GLU 0.248 0.113 6 0 "[ . 1 . 2]"
1 61 THR 0.248 0.113 6 0 "[ . 1 . 2]"
1 62 LYS 1.004 0.101 14 0 "[ . 1 . 2]"
1 63 GLY 0.622 0.111 16 0 "[ . 1 . 2]"
1 64 LEU 0.107 0.042 19 0 "[ . 1 . 2]"
1 65 VAL 1.648 0.188 6 0 "[ . 1 . 2]"
1 66 THR 0.808 0.120 17 0 "[ . 1 . 2]"
1 67 GLY 1.647 0.142 2 0 "[ . 1 . 2]"
1 68 ILE 0.077 0.050 1 0 "[ . 1 . 2]"
1 69 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 SER 0.530 0.090 12 0 "[ . 1 . 2]"
1 71 GLY 1.953 0.174 16 0 "[ . 1 . 2]"
1 72 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 PRO 0.042 0.042 9 0 "[ . 1 . 2]"
1 74 THR 1.957 0.165 1 0 "[ . 1 . 2]"
1 75 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ILE 0.164 0.056 12 0 "[ . 1 . 2]"
1 77 ALA 0.851 0.102 3 0 "[ . 1 . 2]"
1 78 THR 3.408 0.185 4 0 "[ . 1 . 2]"
1 79 TYR 1.073 0.097 11 0 "[ . 1 . 2]"
1 80 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 VAL 1.859 0.185 4 0 "[ . 1 . 2]"
1 83 SER 0.013 0.013 12 0 "[ . 1 . 2]"
1 84 GLY 0.342 0.072 8 0 "[ . 1 . 2]"
1 85 ASN 2.531 0.142 3 0 "[ . 1 . 2]"
1 86 THR 0.987 0.132 18 0 "[ . 1 . 2]"
1 87 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 LEU 1.392 0.165 1 0 "[ . 1 . 2]"
1 89 THR 0.286 0.169 14 0 "[ . 1 . 2]"
1 90 VAL 1.953 0.174 16 0 "[ . 1 . 2]"
1 91 ASN 0.076 0.057 5 0 "[ . 1 . 2]"
1 92 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 THR 0.055 0.055 10 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 ALA H 1 4 THR H 5.500 . 5.500 4.557 4.395 4.652 . 0 0 "[ . 1 . 2]" 1
2 1 4 THR H 1 5 LEU H 5.500 . 5.500 4.485 4.428 4.584 . 0 0 "[ . 1 . 2]" 1
3 1 4 THR H 1 32 SER H 4.000 . 4.000 3.413 2.859 4.077 0.077 11 0 "[ . 1 . 2]" 1
4 1 4 THR H 1 33 ASP H 5.500 . 5.500 4.707 4.084 5.452 . 0 0 "[ . 1 . 2]" 1
5 1 5 LEU H 1 6 SER H 5.500 . 5.500 4.405 4.318 4.527 . 0 0 "[ . 1 . 2]" 1
6 1 5 LEU H 1 32 SER H 5.500 . 5.500 5.278 4.893 5.574 0.074 9 0 "[ . 1 . 2]" 1
7 1 6 SER H 1 7 SER H 3.000 . 3.000 2.540 2.424 2.638 . 0 0 "[ . 1 . 2]" 1
8 1 6 SER H 1 30 THR H 5.500 . 5.500 4.275 4.057 4.529 . 0 0 "[ . 1 . 2]" 1
9 1 6 SER H 1 31 TYR H 5.500 . 5.500 4.574 4.343 4.729 . 0 0 "[ . 1 . 2]" 1
10 1 6 SER H 1 32 SER H 5.500 . 5.500 3.232 3.132 3.397 . 0 0 "[ . 1 . 2]" 1
11 1 7 SER H 1 8 ILE H 5.500 . 5.500 4.389 4.359 4.414 . 0 0 "[ . 1 . 2]" 1
12 1 7 SER H 1 30 THR H 4.000 . 4.000 3.030 2.875 3.174 . 0 0 "[ . 1 . 2]" 1
13 1 7 SER H 1 31 TYR H 5.500 . 5.500 5.511 5.402 5.590 0.090 8 0 "[ . 1 . 2]" 1
14 1 7 SER H 1 32 SER H 5.500 . 5.500 5.567 5.487 5.636 0.136 16 0 "[ . 1 . 2]" 1
15 1 8 ILE H 1 9 SER H 5.500 . 5.500 4.388 4.308 4.465 . 0 0 "[ . 1 . 2]" 1
16 1 8 ILE H 1 30 THR H 5.500 . 5.500 5.179 5.048 5.357 . 0 0 "[ . 1 . 2]" 1
17 1 9 SER H 1 10 ILE H 5.500 . 5.500 4.429 4.400 4.476 . 0 0 "[ . 1 . 2]" 1
18 1 9 SER H 1 28 VAL H 4.000 . 4.000 3.585 3.184 3.788 . 0 0 "[ . 1 . 2]" 1
19 1 9 SER H 1 30 THR H 5.500 . 5.500 4.789 4.488 5.020 . 0 0 "[ . 1 . 2]" 1
20 1 10 ILE H 1 11 SER H 5.500 . 5.500 4.493 4.368 4.573 . 0 0 "[ . 1 . 2]" 1
21 1 10 ILE H 1 28 VAL H 5.500 . 5.500 4.859 4.667 5.021 . 0 0 "[ . 1 . 2]" 1
22 1 11 SER H 1 26 PHE H 5.500 . 5.500 3.847 3.609 4.176 . 0 0 "[ . 1 . 2]" 1
23 1 11 SER H 1 27 ALA H 5.500 . 5.500 4.891 4.612 5.012 . 0 0 "[ . 1 . 2]" 1
24 1 11 SER H 1 28 VAL H 5.500 . 5.500 3.838 3.343 4.194 . 0 0 "[ . 1 . 2]" 1
25 1 15 THR H 1 16 ASN H 5.500 . 5.500 3.731 3.516 4.190 . 0 0 "[ . 1 . 2]" 1
26 1 16 ASN H 1 17 ILE H 5.500 . 5.500 4.320 4.149 4.396 . 0 0 "[ . 1 . 2]" 1
27 1 17 ILE H 1 18 ASN H 5.500 . 5.500 4.320 4.253 4.399 . 0 0 "[ . 1 . 2]" 1
28 1 18 ASN H 1 21 VAL H 5.500 . 5.500 4.334 3.824 5.010 . 0 0 "[ . 1 . 2]" 1
29 1 20 THR H 1 21 VAL H 4.000 . 4.000 2.968 2.039 3.419 . 0 0 "[ . 1 . 2]" 1
30 1 23 LYS H 1 24 GLN H 5.500 . 5.500 4.380 4.240 4.500 . 0 0 "[ . 1 . 2]" 1
31 1 23 LYS H 1 65 VAL H 5.500 . 5.500 3.494 3.088 3.835 . 0 0 "[ . 1 . 2]" 1
32 1 23 LYS H 1 67 GLY H 5.500 . 5.500 4.726 4.245 5.040 . 0 0 "[ . 1 . 2]" 1
33 1 24 GLN H 1 25 PHE H 5.500 . 5.500 4.496 4.487 4.506 . 0 0 "[ . 1 . 2]" 1
34 1 25 PHE H 1 26 PHE H 5.500 . 5.500 4.457 4.445 4.482 . 0 0 "[ . 1 . 2]" 1
35 1 25 PHE H 1 65 VAL H 5.500 . 5.500 5.213 5.007 5.480 . 0 0 "[ . 1 . 2]" 1
36 1 26 PHE H 1 27 ALA H 5.500 . 5.500 4.509 4.456 4.528 . 0 0 "[ . 1 . 2]" 1
37 1 27 ALA H 1 28 VAL H 5.500 . 5.500 4.364 4.331 4.412 . 0 0 "[ . 1 . 2]" 1
38 1 27 ALA H 1 39 LEU H 5.500 . 5.500 4.123 3.940 4.314 . 0 0 "[ . 1 . 2]" 1
39 1 27 ALA H 1 40 THR H 5.500 . 5.500 3.404 3.284 3.519 . 0 0 "[ . 1 . 2]" 1
40 1 27 ALA H 1 41 SER H 5.500 . 5.500 5.585 5.510 5.654 0.154 13 0 "[ . 1 . 2]" 1
41 1 28 VAL H 1 29 GLY H 5.500 . 5.500 4.396 4.364 4.420 . 0 0 "[ . 1 . 2]" 1
42 1 28 VAL H 1 39 LEU H 5.500 . 5.500 4.951 4.769 5.105 . 0 0 "[ . 1 . 2]" 1
43 1 29 GLY H 1 30 THR H 5.500 . 5.500 4.468 4.423 4.532 . 0 0 "[ . 1 . 2]" 1
44 1 29 GLY H 1 37 ALA H 4.000 . 4.000 3.222 3.056 3.534 . 0 0 "[ . 1 . 2]" 1
45 1 29 GLY H 1 38 ASP H 5.500 . 5.500 5.379 5.060 5.514 0.014 2 0 "[ . 1 . 2]" 1
46 1 29 GLY H 1 39 LEU H 5.500 . 5.500 3.853 3.362 4.093 . 0 0 "[ . 1 . 2]" 1
47 1 30 THR H 1 31 TYR H 5.500 . 5.500 4.359 4.309 4.390 . 0 0 "[ . 1 . 2]" 1
48 1 30 THR H 1 37 ALA H 5.500 . 5.500 5.498 5.312 5.577 0.077 7 0 "[ . 1 . 2]" 1
49 1 31 TYR H 1 32 SER H 5.500 . 5.500 4.588 4.574 4.603 . 0 0 "[ . 1 . 2]" 1
50 1 31 TYR H 1 33 ASP H 5.500 . 5.500 4.503 4.368 4.660 . 0 0 "[ . 1 . 2]" 1
51 1 31 TYR H 1 34 GLY H 5.500 . 5.500 4.173 4.060 4.262 . 0 0 "[ . 1 . 2]" 1
52 1 31 TYR H 1 35 THR H 5.500 . 5.500 3.609 3.503 3.732 . 0 0 "[ . 1 . 2]" 1
53 1 31 TYR H 1 37 ALA H 5.500 . 5.500 4.983 4.883 5.152 . 0 0 "[ . 1 . 2]" 1
54 1 32 SER H 1 33 ASP H 4.000 . 4.000 2.734 2.705 2.777 . 0 0 "[ . 1 . 2]" 1
55 1 32 SER H 1 34 GLY H 5.500 . 5.500 4.248 4.200 4.308 . 0 0 "[ . 1 . 2]" 1
56 1 32 SER H 1 35 THR H 5.500 . 5.500 5.474 5.408 5.527 0.027 14 0 "[ . 1 . 2]" 1
57 1 33 ASP H 1 34 GLY H 3.000 . 3.000 2.501 2.437 2.552 . 0 0 "[ . 1 . 2]" 1
58 1 33 ASP H 1 35 THR H 4.000 . 4.000 3.418 3.326 3.525 . 0 0 "[ . 1 . 2]" 1
59 1 34 GLY H 1 35 THR H 4.000 . 4.000 2.417 2.351 2.525 . 0 0 "[ . 1 . 2]" 1
60 1 35 THR H 1 36 LYS H 5.500 . 5.500 4.598 4.575 4.620 . 0 0 "[ . 1 . 2]" 1
61 1 36 LYS H 1 37 ALA H 5.500 . 5.500 4.454 4.432 4.494 . 0 0 "[ . 1 . 2]" 1
62 1 37 ALA H 1 38 ASP H 5.500 . 5.500 4.344 4.313 4.383 . 0 0 "[ . 1 . 2]" 1
63 1 38 ASP H 1 39 LEU H 5.500 . 5.500 4.485 4.438 4.531 . 0 0 "[ . 1 . 2]" 1
64 1 39 LEU H 1 40 THR H 4.000 . 4.000 2.309 2.136 2.399 . 0 0 "[ . 1 . 2]" 1
65 1 39 LEU H 1 41 SER H 5.500 . 5.500 4.559 4.398 4.640 . 0 0 "[ . 1 . 2]" 1
66 1 40 THR H 1 41 SER H 4.000 . 4.000 2.666 2.594 2.816 . 0 0 "[ . 1 . 2]" 1
67 1 40 THR H 1 42 SER H 5.500 . 5.500 3.851 3.796 3.958 . 0 0 "[ . 1 . 2]" 1
68 1 40 THR H 1 43 VAL H 5.500 . 5.500 4.608 4.571 4.634 . 0 0 "[ . 1 . 2]" 1
69 1 41 SER H 1 42 SER H 3.000 . 3.000 2.292 2.217 2.337 . 0 0 "[ . 1 . 2]" 1
70 1 41 SER H 1 43 VAL H 5.500 . 5.500 3.860 3.741 3.967 . 0 0 "[ . 1 . 2]" 1
71 1 42 SER H 1 43 VAL H 3.000 . 3.000 2.060 1.980 2.196 . 0 0 "[ . 1 . 2]" 1
72 1 43 VAL H 1 44 THR H 5.500 . 5.500 4.571 4.533 4.591 . 0 0 "[ . 1 . 2]" 1
73 1 44 THR H 1 45 TRP H 5.500 . 5.500 4.373 4.312 4.429 . 0 0 "[ . 1 . 2]" 1
74 1 44 THR H 1 78 THR H 4.000 . 4.000 2.712 2.388 3.231 . 0 0 "[ . 1 . 2]" 1
75 1 44 THR H 1 79 TYR H 5.500 . 5.500 5.070 4.823 5.315 . 0 0 "[ . 1 . 2]" 1
76 1 45 TRP H 1 46 SER H 5.500 . 5.500 4.533 4.508 4.558 . 0 0 "[ . 1 . 2]" 1
77 1 46 SER H 1 47 SER H 5.500 . 5.500 4.400 4.368 4.437 . 0 0 "[ . 1 . 2]" 1
78 1 46 SER H 1 76 ILE H 4.000 . 4.000 3.086 2.794 3.394 . 0 0 "[ . 1 . 2]" 1
79 1 46 SER H 1 77 ALA H 5.500 . 5.500 5.270 5.101 5.380 . 0 0 "[ . 1 . 2]" 1
80 1 46 SER H 1 78 THR H 5.500 . 5.500 5.214 5.008 5.397 . 0 0 "[ . 1 . 2]" 1
81 1 47 SER H 1 48 SER H 5.500 . 5.500 4.397 4.330 4.478 . 0 0 "[ . 1 . 2]" 1
82 1 47 SER H 1 49 ASN H 5.500 . 5.500 5.230 4.971 5.453 . 0 0 "[ . 1 . 2]" 1
83 1 47 SER H 1 76 ILE H 5.500 . 5.500 4.978 4.813 5.192 . 0 0 "[ . 1 . 2]" 1
84 1 48 SER H 1 49 ASN H 3.000 . 3.000 2.511 2.441 2.610 . 0 0 "[ . 1 . 2]" 1
85 1 48 SER H 1 74 THR H 4.000 . 4.000 3.296 2.879 3.709 . 0 0 "[ . 1 . 2]" 1
86 1 48 SER H 1 76 ILE H 5.500 . 5.500 4.900 4.577 5.164 . 0 0 "[ . 1 . 2]" 1
87 1 49 ASN H 1 74 THR H 5.500 . 5.500 3.741 3.371 4.045 . 0 0 "[ . 1 . 2]" 1
88 1 51 SER H 1 52 GLN H 3.000 . 3.000 2.526 2.488 2.579 . 0 0 "[ . 1 . 2]" 1
89 1 51 SER H 1 53 ALA H 5.500 . 5.500 3.782 3.742 3.842 . 0 0 "[ . 1 . 2]" 1
90 1 52 GLN H 1 53 ALA H 3.000 . 3.000 2.351 2.283 2.419 . 0 0 "[ . 1 . 2]" 1
91 1 53 ALA H 1 54 LYS H 5.500 . 5.500 4.293 4.260 4.323 . 0 0 "[ . 1 . 2]" 1
92 1 53 ALA H 1 68 ILE H 5.500 . 5.500 5.221 4.755 5.550 0.050 1 0 "[ . 1 . 2]" 1
93 1 54 LYS H 1 55 VAL H 5.500 . 5.500 4.401 4.354 4.452 . 0 0 "[ . 1 . 2]" 1
94 1 54 LYS H 1 66 THR H 5.500 . 5.500 3.843 3.501 4.057 . 0 0 "[ . 1 . 2]" 1
95 1 54 LYS H 1 67 GLY H 5.500 . 5.500 5.577 5.411 5.642 0.142 2 0 "[ . 1 . 2]" 1
96 1 54 LYS H 1 68 ILE H 5.500 . 5.500 4.284 3.791 4.963 . 0 0 "[ . 1 . 2]" 1
97 1 55 VAL H 1 56 SER H 5.500 . 5.500 4.219 4.140 4.271 . 0 0 "[ . 1 . 2]" 1
98 1 55 VAL H 1 66 THR H 5.500 . 5.500 5.345 5.104 5.498 . 0 0 "[ . 1 . 2]" 1
99 1 56 SER H 1 57 ASN H 5.500 . 5.500 3.980 3.913 4.113 . 0 0 "[ . 1 . 2]" 1
100 1 56 SER H 1 64 LEU H 5.500 . 5.500 5.227 4.985 5.471 . 0 0 "[ . 1 . 2]" 1
101 1 56 SER H 1 66 THR H 5.500 . 5.500 4.175 3.709 4.596 . 0 0 "[ . 1 . 2]" 1
102 1 57 ASN H 1 58 ALA H 5.500 . 5.500 4.235 4.170 4.329 . 0 0 "[ . 1 . 2]" 1
103 1 58 ALA H 1 59 SER H 5.500 . 5.500 4.529 4.507 4.571 . 0 0 "[ . 1 . 2]" 1
104 1 58 ALA H 1 60 GLU H 5.500 . 5.500 4.783 4.270 5.137 . 0 0 "[ . 1 . 2]" 1
105 1 58 ALA H 1 61 THR H 5.500 . 5.500 3.505 3.288 3.694 . 0 0 "[ . 1 . 2]" 1
106 1 58 ALA H 1 62 LYS H 5.500 . 5.500 4.811 4.627 5.148 . 0 0 "[ . 1 . 2]" 1
107 1 59 SER H 1 60 GLU H 5.500 . 5.500 2.764 2.662 2.828 . 0 0 "[ . 1 . 2]" 1
108 1 59 SER H 1 61 THR H 5.500 . 5.500 4.055 3.866 4.372 . 0 0 "[ . 1 . 2]" 1
109 1 60 GLU H 1 61 THR H 4.000 . 4.000 2.433 2.346 2.614 . 0 0 "[ . 1 . 2]" 1
110 1 60 GLU H 1 62 LYS H 5.500 . 5.500 4.028 3.823 4.377 . 0 0 "[ . 1 . 2]" 1
111 1 61 THR H 1 62 LYS H 3.000 . 3.000 2.376 2.043 2.680 . 0 0 "[ . 1 . 2]" 1
112 1 62 LYS H 1 63 GLY H 5.500 . 5.500 4.445 4.391 4.525 . 0 0 "[ . 1 . 2]" 1
113 1 63 GLY H 1 64 LEU H 4.000 . 4.000 2.116 1.919 2.380 . 0 0 "[ . 1 . 2]" 1
114 1 64 LEU H 1 65 VAL H 5.500 . 5.500 4.290 4.208 4.358 . 0 0 "[ . 1 . 2]" 1
115 1 65 VAL H 1 66 THR H 5.500 . 5.500 4.377 4.354 4.401 . 0 0 "[ . 1 . 2]" 1
116 1 66 THR H 1 67 GLY H 5.500 . 5.500 4.379 4.306 4.456 . 0 0 "[ . 1 . 2]" 1
117 1 67 GLY H 1 68 ILE H 5.500 . 5.500 4.285 4.150 4.491 . 0 0 "[ . 1 . 2]" 1
118 1 68 ILE H 1 69 ALA H 4.000 . 4.000 2.632 2.291 2.703 . 0 0 "[ . 1 . 2]" 1
119 1 69 ALA H 1 70 SER H 5.500 . 5.500 3.910 3.733 4.478 . 0 0 "[ . 1 . 2]" 1
120 1 70 SER H 1 71 GLY H 5.500 . 5.500 4.246 1.719 4.587 . 0 0 "[ . 1 . 2]" 1
121 1 71 GLY H 1 72 ASN H 5.500 . 5.500 2.613 2.199 4.321 . 0 0 "[ . 1 . 2]" 1
122 1 71 GLY H 1 90 VAL H 5.500 . 5.500 5.555 4.646 5.674 0.174 16 0 "[ . 1 . 2]" 1
123 1 74 THR H 1 88 LEU H 5.500 . 5.500 5.109 4.833 5.218 . 0 0 "[ . 1 . 2]" 1
124 1 76 ILE H 1 77 ALA H 5.500 . 5.500 4.362 4.252 4.415 . 0 0 "[ . 1 . 2]" 1
125 1 76 ILE H 1 86 THR H 5.500 . 5.500 5.255 5.037 5.505 0.005 6 0 "[ . 1 . 2]" 1
126 1 77 ALA H 1 78 THR H 5.500 . 5.500 4.444 4.349 4.504 . 0 0 "[ . 1 . 2]" 1
127 1 77 ALA H 1 84 GLY H 4.000 . 4.000 3.463 3.193 3.645 . 0 0 "[ . 1 . 2]" 1
128 1 77 ALA H 1 85 ASN H 5.500 . 5.500 5.088 4.968 5.227 . 0 0 "[ . 1 . 2]" 1
129 1 77 ALA H 1 86 THR H 5.500 . 5.500 4.551 4.276 4.817 . 0 0 "[ . 1 . 2]" 1
130 1 78 THR H 1 79 TYR H 5.500 . 5.500 4.384 4.343 4.437 . 0 0 "[ . 1 . 2]" 1
131 1 78 THR H 1 84 GLY H 5.500 . 5.500 5.061 4.869 5.243 . 0 0 "[ . 1 . 2]" 1
132 1 79 TYR H 1 80 GLY H 5.500 . 5.500 3.888 3.633 4.177 . 0 0 "[ . 1 . 2]" 1
133 1 79 TYR H 1 82 VAL H 4.000 . 4.000 3.793 3.710 3.887 . 0 0 "[ . 1 . 2]" 1
134 1 79 TYR H 1 83 SER H 5.500 . 5.500 4.560 4.397 4.713 . 0 0 "[ . 1 . 2]" 1
135 1 79 TYR H 1 84 GLY H 5.500 . 5.500 4.629 4.395 4.850 . 0 0 "[ . 1 . 2]" 1
136 1 80 GLY H 1 82 VAL H 5.500 . 5.500 4.456 4.343 4.585 . 0 0 "[ . 1 . 2]" 1
137 1 81 SER H 1 82 VAL H 3.000 . 3.000 2.479 2.404 2.521 . 0 0 "[ . 1 . 2]" 1
138 1 82 VAL H 1 83 SER H 5.500 . 5.500 4.380 4.347 4.410 . 0 0 "[ . 1 . 2]" 1
139 1 83 SER H 1 84 GLY H 5.500 . 5.500 4.415 4.378 4.457 . 0 0 "[ . 1 . 2]" 1
140 1 84 GLY H 1 85 ASN H 5.500 . 5.500 4.417 4.389 4.448 . 0 0 "[ . 1 . 2]" 1
141 1 85 ASN H 1 86 THR H 5.500 . 5.500 4.461 4.335 4.524 . 0 0 "[ . 1 . 2]" 1
142 1 86 THR H 1 87 ILE H 5.500 . 5.500 4.420 4.346 4.463 . 0 0 "[ . 1 . 2]" 1
143 1 87 ILE H 1 88 LEU H 5.500 . 5.500 4.426 4.379 4.464 . 0 0 "[ . 1 . 2]" 1
144 1 88 LEU H 1 89 THR H 5.500 . 5.500 4.492 4.406 4.553 . 0 0 "[ . 1 . 2]" 1
145 1 89 THR H 1 90 VAL H 5.500 . 5.500 4.469 4.382 4.565 . 0 0 "[ . 1 . 2]" 1
146 1 90 VAL H 1 91 ASN H 5.500 . 5.500 4.334 4.243 4.521 . 0 0 "[ . 1 . 2]" 1
147 1 91 ASN H 1 92 LYS H 5.500 . 5.500 4.320 4.108 4.469 . 0 0 "[ . 1 . 2]" 1
148 1 92 LYS H 1 93 THR H 5.500 . 5.500 4.544 4.390 4.617 . 0 0 "[ . 1 . 2]" 1
149 1 93 THR H 1 94 ASP H 5.500 . 5.500 3.104 2.333 4.364 . 0 0 "[ . 1 . 2]" 1
150 1 94 ASP H 1 95 THR H 5.500 . 5.500 3.520 2.384 4.583 . 0 0 "[ . 1 . 2]" 1
151 1 3 ALA HA 1 4 THR H 3.000 . 3.000 2.397 2.205 2.797 . 0 0 "[ . 1 . 2]" 1
152 1 3 ALA MB 1 4 THR H 4.000 . 4.000 2.486 1.785 2.970 . 0 0 "[ . 1 . 2]" 1
153 1 4 THR H 1 4 THR HA 3.000 . 3.000 2.943 2.920 2.960 . 0 0 "[ . 1 . 2]" 1
154 1 4 THR H 1 5 LEU HA 5.500 . 5.500 5.098 4.846 5.394 . 0 0 "[ . 1 . 2]" 1
155 1 4 THR H 1 31 TYR QD 5.500 . 5.500 3.466 2.877 4.219 . 0 0 "[ . 1 . 2]" 1
156 1 4 THR H 1 32 SER QB 5.500 . 5.500 3.926 3.382 4.489 . 0 0 "[ . 1 . 2]" 1
157 1 4 THR HA 1 5 LEU H 4.000 . 4.000 2.382 2.205 2.418 . 0 0 "[ . 1 . 2]" 1
158 1 4 THR HB 1 5 LEU H 5.500 . 5.500 3.020 2.458 4.034 . 0 0 "[ . 1 . 2]" 1
159 1 4 THR MG 1 5 LEU H 5.500 . 5.500 3.413 1.735 3.979 . 0 0 "[ . 1 . 2]" 1
160 1 5 LEU H 1 5 LEU HB3 4.000 . 4.000 2.708 2.486 3.523 . 0 0 "[ . 1 . 2]" 1
161 1 5 LEU H 1 5 LEU HG 5.500 . 5.500 4.284 2.853 4.714 . 0 0 "[ . 1 . 2]" 1
162 1 5 LEU H 1 5 LEU MD1 5.500 . 5.500 3.915 2.398 4.342 . 0 0 "[ . 1 . 2]" 1
163 1 5 LEU H 1 5 LEU MD2 5.500 . 5.500 4.174 3.554 4.315 . 0 0 "[ . 1 . 2]" 1
164 1 5 LEU H 1 31 TYR HA 5.500 . 5.500 4.975 4.629 5.192 . 0 0 "[ . 1 . 2]" 1
165 1 5 LEU H 1 31 TYR QD 5.500 . 5.500 4.320 3.774 4.670 . 0 0 "[ . 1 . 2]" 1
166 1 5 LEU H 1 31 TYR QE 5.500 . 5.500 4.567 3.776 5.009 . 0 0 "[ . 1 . 2]" 1
167 1 5 LEU HA 1 6 SER H 3.000 . 3.000 2.167 2.147 2.191 . 0 0 "[ . 1 . 2]" 1
168 1 5 LEU HB3 1 6 SER H 5.500 . 5.500 4.212 3.458 4.412 . 0 0 "[ . 1 . 2]" 1
169 1 5 LEU HB2 1 6 SER H 5.500 . 5.500 4.451 4.284 4.609 . 0 0 "[ . 1 . 2]" 1
170 1 5 LEU HG 1 6 SER H 5.500 . 5.500 3.558 2.513 5.036 . 0 0 "[ . 1 . 2]" 1
171 1 5 LEU MD1 1 6 SER H 5.500 . 5.500 3.378 2.383 5.145 . 0 0 "[ . 1 . 2]" 1
172 1 5 LEU MD2 1 6 SER H 5.500 . 5.500 4.221 2.232 4.991 . 0 0 "[ . 1 . 2]" 1
173 1 6 SER H 1 6 SER HB3 4.000 . 4.000 3.084 2.506 3.583 . 0 0 "[ . 1 . 2]" 1
174 1 6 SER H 1 6 SER HB2 4.000 . 4.000 2.358 2.173 2.613 . 0 0 "[ . 1 . 2]" 1
175 1 6 SER H 1 30 THR MG 5.500 . 5.500 4.158 3.866 4.433 . 0 0 "[ . 1 . 2]" 1
176 1 6 SER H 1 31 TYR HA 4.000 . 4.000 2.474 2.272 2.617 . 0 0 "[ . 1 . 2]" 1
177 1 6 SER H 1 31 TYR HB2 5.500 . 5.500 5.420 5.229 5.565 0.065 9 0 "[ . 1 . 2]" 1
178 1 6 SER H 1 31 TYR QD 5.500 . 5.500 4.544 4.049 4.808 . 0 0 "[ . 1 . 2]" 1
179 1 6 SER H 1 32 SER HA 5.500 . 5.500 4.466 4.237 4.687 . 0 0 "[ . 1 . 2]" 1
180 1 5 LEU HB3 1 7 SER H 5.500 . 5.500 4.825 3.390 5.488 . 0 0 "[ . 1 . 2]" 1
181 1 5 LEU HG 1 7 SER H 5.500 . 5.500 3.425 2.595 5.627 0.127 16 0 "[ . 1 . 2]" 1
182 1 5 LEU MD1 1 7 SER H 5.500 . 5.500 3.360 2.103 5.368 . 0 0 "[ . 1 . 2]" 1
183 1 5 LEU MD2 1 7 SER H 5.500 . 5.500 3.869 2.322 4.743 . 0 0 "[ . 1 . 2]" 1
184 1 6 SER HA 1 7 SER H 4.000 . 4.000 3.557 3.526 3.578 . 0 0 "[ . 1 . 2]" 1
185 1 6 SER HB3 1 7 SER H 4.000 . 4.000 2.893 2.290 3.600 . 0 0 "[ . 1 . 2]" 1
186 1 6 SER HB2 1 7 SER H 4.000 . 4.000 3.227 2.521 3.849 . 0 0 "[ . 1 . 2]" 1
187 1 7 SER H 1 7 SER HB3 4.000 . 4.000 3.396 3.109 3.494 . 0 0 "[ . 1 . 2]" 1
188 1 7 SER H 1 7 SER HB2 4.000 . 4.000 3.938 3.887 4.008 0.008 4 0 "[ . 1 . 2]" 1
189 1 7 SER H 1 8 ILE HA 5.500 . 5.500 4.688 4.644 4.762 . 0 0 "[ . 1 . 2]" 1
190 1 7 SER H 1 29 GLY HA3 5.500 . 5.500 5.357 5.113 5.547 0.047 10 0 "[ . 1 . 2]" 1
191 1 7 SER H 1 29 GLY HA2 5.500 . 5.500 4.778 4.617 4.935 . 0 0 "[ . 1 . 2]" 1
192 1 7 SER H 1 30 THR HA 5.500 . 5.500 5.046 4.931 5.185 . 0 0 "[ . 1 . 2]" 1
193 1 7 SER H 1 30 THR HB 4.000 . 4.000 3.210 2.989 3.508 . 0 0 "[ . 1 . 2]" 1
194 1 7 SER H 1 30 THR MG 5.500 . 5.500 4.058 3.968 4.121 . 0 0 "[ . 1 . 2]" 1
195 1 7 SER H 1 31 TYR HA 5.500 . 5.500 4.567 4.450 4.744 . 0 0 "[ . 1 . 2]" 1
196 1 5 LEU MD2 1 8 ILE H 5.500 . 5.500 4.429 3.258 5.609 0.109 18 0 "[ . 1 . 2]" 1
197 1 7 SER HA 1 8 ILE H 3.000 . 3.000 2.383 2.282 2.457 . 0 0 "[ . 1 . 2]" 1
198 1 7 SER HB3 1 8 ILE H 4.000 . 4.000 3.782 3.658 3.957 . 0 0 "[ . 1 . 2]" 1
199 1 7 SER HB2 1 8 ILE H 4.000 . 4.000 2.484 2.350 2.748 . 0 0 "[ . 1 . 2]" 1
200 1 8 ILE H 1 8 ILE HB 4.000 . 4.000 3.196 2.510 3.798 . 0 0 "[ . 1 . 2]" 1
201 1 8 ILE H 1 8 ILE HG13 5.500 . 5.500 3.804 2.539 4.642 . 0 0 "[ . 1 . 2]" 1
202 1 8 ILE H 1 8 ILE HG12 5.500 . 5.500 3.696 2.092 4.478 . 0 0 "[ . 1 . 2]" 1
203 1 8 ILE H 1 8 ILE MD 5.500 . 5.500 4.238 3.783 4.629 . 0 0 "[ . 1 . 2]" 1
204 1 8 ILE H 1 9 SER HA 5.500 . 5.500 4.926 4.851 5.011 . 0 0 "[ . 1 . 2]" 1
205 1 8 ILE H 1 29 GLY HA2 5.500 . 5.500 5.166 4.975 5.409 . 0 0 "[ . 1 . 2]" 1
206 1 8 ILE H 1 82 VAL MG1 5.500 . 5.500 5.258 4.454 5.534 0.034 15 0 "[ . 1 . 2]" 1
207 1 8 ILE HA 1 29 GLY HA3 5.500 . 5.500 3.790 3.368 4.235 . 0 0 "[ . 1 . 2]" 1
208 1 8 ILE HA 1 29 GLY HA2 5.500 . 5.500 2.602 2.301 2.890 . 0 0 "[ . 1 . 2]" 1
209 1 8 ILE HA 1 9 SER H 3.000 . 3.000 2.187 2.144 2.258 . 0 0 "[ . 1 . 2]" 1
210 1 8 ILE HB 1 9 SER H 5.500 . 5.500 3.817 2.847 4.259 . 0 0 "[ . 1 . 2]" 1
211 1 8 ILE QG 1 9 SER H 5.500 . 5.500 3.193 2.498 4.106 . 0 0 "[ . 1 . 2]" 1
212 1 8 ILE MD 1 9 SER H 5.500 . 5.500 4.501 4.223 5.077 . 0 0 "[ . 1 . 2]" 1
213 1 9 SER H 1 9 SER HB3 4.000 . 4.000 3.333 2.608 3.817 . 0 0 "[ . 1 . 2]" 1
214 1 9 SER H 1 9 SER HB2 4.000 . 4.000 3.105 2.567 3.832 . 0 0 "[ . 1 . 2]" 1
215 1 9 SER H 1 10 ILE MD 5.500 . 5.500 4.813 3.901 5.692 0.192 1 0 "[ . 1 . 2]" 1
216 1 9 SER H 1 27 ALA HA 5.500 . 5.500 5.119 4.562 5.365 . 0 0 "[ . 1 . 2]" 1
217 1 9 SER H 1 28 VAL HA 5.500 . 5.500 5.025 4.814 5.244 . 0 0 "[ . 1 . 2]" 1
218 1 9 SER H 1 28 VAL HB 5.500 . 5.500 4.191 3.749 4.432 . 0 0 "[ . 1 . 2]" 1
219 1 9 SER H 1 28 VAL MG1 5.500 . 5.500 4.194 3.926 4.366 . 0 0 "[ . 1 . 2]" 1
220 1 9 SER H 1 29 GLY HA3 5.500 . 5.500 4.495 4.287 4.838 . 0 0 "[ . 1 . 2]" 1
221 1 9 SER H 1 29 GLY HA2 5.500 . 5.500 3.098 2.885 3.353 . 0 0 "[ . 1 . 2]" 1
222 1 9 SER HA 1 10 ILE H 3.000 . 3.000 2.262 2.245 2.284 . 0 0 "[ . 1 . 2]" 1
223 1 9 SER HB3 1 10 ILE H 4.000 . 4.000 3.428 2.809 4.012 0.012 2 0 "[ . 1 . 2]" 1
224 1 9 SER HB2 1 10 ILE H 4.000 . 4.000 3.668 2.783 4.017 0.017 20 0 "[ . 1 . 2]" 1
225 1 10 ILE H 1 11 SER HA 5.500 . 5.500 5.033 4.785 5.184 . 0 0 "[ . 1 . 2]" 1
226 1 10 ILE HA 1 27 ALA HA 4.000 . 4.000 2.748 2.586 2.830 . 0 0 "[ . 1 . 2]" 1
227 1 10 ILE HA 1 27 ALA MB 5.500 . 5.500 3.847 3.620 3.950 . 0 0 "[ . 1 . 2]" 1
228 1 10 ILE HA 1 11 SER H 4.000 . 4.000 2.205 2.158 2.274 . 0 0 "[ . 1 . 2]" 1
229 1 11 SER H 1 11 SER HB3 4.000 . 4.000 2.991 2.232 3.519 . 0 0 "[ . 1 . 2]" 1
230 1 11 SER H 1 11 SER HB2 4.000 . 4.000 3.034 2.236 3.519 . 0 0 "[ . 1 . 2]" 1
231 1 11 SER H 1 26 PHE HA 5.500 . 5.500 5.123 4.966 5.243 . 0 0 "[ . 1 . 2]" 1
232 1 11 SER H 1 26 PHE HB3 5.500 . 5.500 5.058 4.722 5.202 . 0 0 "[ . 1 . 2]" 1
233 1 11 SER H 1 26 PHE HB2 5.500 . 5.500 3.973 3.550 4.141 . 0 0 "[ . 1 . 2]" 1
234 1 11 SER H 1 27 ALA HA 5.500 . 5.500 3.036 2.500 3.306 . 0 0 "[ . 1 . 2]" 1
235 1 11 SER H 1 27 ALA MB 5.500 . 5.500 4.461 4.049 4.717 . 0 0 "[ . 1 . 2]" 1
236 1 11 SER H 1 45 TRP HH2 5.500 . 5.500 4.349 4.078 4.810 . 0 0 "[ . 1 . 2]" 1
237 1 12 PRO HA 1 13 ILE H 5.500 . 5.500 3.632 3.603 3.679 . 0 0 "[ . 1 . 2]" 1
238 1 12 PRO HB3 1 13 ILE H 5.500 . 5.500 4.301 4.165 4.685 . 0 0 "[ . 1 . 2]" 1
239 1 12 PRO HB2 1 13 ILE H 5.500 . 5.500 3.953 3.598 4.105 . 0 0 "[ . 1 . 2]" 1
240 1 14 ASN HA 1 15 THR H 4.000 . 4.000 3.146 2.662 3.503 . 0 0 "[ . 1 . 2]" 1
241 1 15 THR H 1 15 THR MG 4.000 . 4.000 2.541 1.896 3.411 . 0 0 "[ . 1 . 2]" 1
242 1 15 THR HA 1 16 ASN H 4.000 . 4.000 2.265 2.246 2.286 . 0 0 "[ . 1 . 2]" 1
243 1 15 THR HB 1 16 ASN H 5.500 . 5.500 4.186 3.971 4.484 . 0 0 "[ . 1 . 2]" 1
244 1 15 THR MG 1 16 ASN H 5.500 . 5.500 4.278 4.026 4.471 . 0 0 "[ . 1 . 2]" 1
245 1 16 ASN HA 1 17 ILE H 3.000 . 3.000 2.247 2.115 2.357 . 0 0 "[ . 1 . 2]" 1
246 1 16 ASN QB 1 17 ILE H 4.000 . 4.000 2.813 2.412 3.691 . 0 0 "[ . 1 . 2]" 1
247 1 17 ILE H 1 18 ASN HA 5.500 . 5.500 4.711 4.542 4.908 . 0 0 "[ . 1 . 2]" 1
248 1 17 ILE H 1 90 VAL HA 4.000 . 4.000 2.905 2.546 3.492 . 0 0 "[ . 1 . 2]" 1
249 1 17 ILE HA 1 18 ASN H 4.000 . 4.000 2.212 2.165 2.388 . 0 0 "[ . 1 . 2]" 1
250 1 20 THR H 1 20 THR HB 4.000 . 4.000 3.634 2.944 3.990 . 0 0 "[ . 1 . 2]" 1
251 1 20 THR HA 1 21 VAL H 5.500 . 5.500 2.726 2.431 3.398 . 0 0 "[ . 1 . 2]" 1
252 1 20 THR HB 1 21 VAL H 5.500 . 5.500 4.297 3.681 4.660 . 0 0 "[ . 1 . 2]" 1
253 1 21 VAL H 1 21 VAL HB 4.000 . 4.000 2.655 2.466 2.879 . 0 0 "[ . 1 . 2]" 1
254 1 17 ILE MD 1 23 LYS H 5.500 . 5.500 4.674 2.552 5.504 0.004 7 0 "[ . 1 . 2]" 1
255 1 21 VAL MG1 1 23 LYS H 5.500 . 5.500 4.436 3.862 5.328 . 0 0 "[ . 1 . 2]" 1
256 1 22 SER HA 1 23 LYS H 5.500 . 5.500 2.216 2.152 2.301 . 0 0 "[ . 1 . 2]" 1
257 1 22 SER HB3 1 23 LYS H 5.500 . 5.500 3.471 2.807 4.343 . 0 0 "[ . 1 . 2]" 1
258 1 22 SER HB2 1 23 LYS H 5.500 . 5.500 3.932 2.798 4.377 . 0 0 "[ . 1 . 2]" 1
259 1 23 LYS H 1 23 LYS HG3 5.500 . 5.500 4.654 4.500 4.741 . 0 0 "[ . 1 . 2]" 1
260 1 23 LYS H 1 23 LYS HG2 5.500 . 5.500 4.525 4.419 4.866 . 0 0 "[ . 1 . 2]" 1
261 1 23 LYS H 1 23 LYS QD 5.500 . 5.500 4.736 4.332 4.867 . 0 0 "[ . 1 . 2]" 1
262 1 23 LYS H 1 24 GLN HA 5.500 . 5.500 4.847 4.700 5.008 . 0 0 "[ . 1 . 2]" 1
263 1 23 LYS H 1 64 LEU HA 5.500 . 5.500 4.939 4.549 5.294 . 0 0 "[ . 1 . 2]" 1
264 1 23 LYS H 1 64 LEU MD1 5.500 . 5.500 3.738 3.070 5.542 0.042 19 0 "[ . 1 . 2]" 1
265 1 23 LYS H 1 65 VAL HB 5.500 . 5.500 4.225 3.883 4.416 . 0 0 "[ . 1 . 2]" 1
266 1 23 LYS H 1 65 VAL MG1 5.500 . 5.500 4.373 4.206 4.592 . 0 0 "[ . 1 . 2]" 1
267 1 23 LYS H 1 66 THR HA 5.500 . 5.500 3.730 3.249 4.093 . 0 0 "[ . 1 . 2]" 1
268 1 23 LYS HA 1 24 GLN H 3.000 . 3.000 2.184 2.145 2.240 . 0 0 "[ . 1 . 2]" 1
269 1 23 LYS HB3 1 24 GLN H 5.500 . 5.500 3.984 3.732 4.297 . 0 0 "[ . 1 . 2]" 1
270 1 23 LYS HB2 1 24 GLN H 5.500 . 5.500 4.188 4.002 4.369 . 0 0 "[ . 1 . 2]" 1
271 1 23 LYS HG3 1 24 GLN H 5.500 . 5.500 2.843 2.098 3.307 . 0 0 "[ . 1 . 2]" 1
272 1 23 LYS HG2 1 24 GLN H 5.500 . 5.500 2.776 2.385 3.816 . 0 0 "[ . 1 . 2]" 1
273 1 23 LYS QD 1 24 GLN H 5.500 . 5.500 4.506 3.377 4.975 . 0 0 "[ . 1 . 2]" 1
274 1 23 LYS QE 1 24 GLN H 5.500 . 5.500 4.457 3.989 4.822 . 0 0 "[ . 1 . 2]" 1
275 1 24 GLN H 1 24 GLN HG3 5.500 . 5.500 4.481 4.463 4.501 . 0 0 "[ . 1 . 2]" 1
276 1 24 GLN H 1 24 GLN HG2 5.500 . 5.500 4.131 4.054 4.268 . 0 0 "[ . 1 . 2]" 1
277 1 24 GLN H 1 64 LEU HA 5.500 . 5.500 4.961 4.798 5.124 . 0 0 "[ . 1 . 2]" 1
278 1 24 GLN H 1 64 LEU MD1 5.500 . 5.500 4.143 3.518 5.539 0.039 19 0 "[ . 1 . 2]" 1
279 1 24 GLN HA 1 24 GLN HE22 5.500 . 5.500 5.518 5.408 5.610 0.110 4 0 "[ . 1 . 2]" 1
280 1 24 GLN HE21 1 40 THR MG 5.500 . 5.500 3.078 2.801 3.293 . 0 0 "[ . 1 . 2]" 1
281 1 24 GLN HE22 1 40 THR MG 5.500 . 5.500 3.748 3.525 4.048 . 0 0 "[ . 1 . 2]" 1
282 1 24 GLN HE21 1 63 GLY HA3 5.500 . 5.500 2.415 2.205 2.652 . 0 0 "[ . 1 . 2]" 1
283 1 24 GLN HE22 1 63 GLY HA2 5.500 . 5.500 5.446 5.253 5.611 0.111 16 0 "[ . 1 . 2]" 1
284 1 23 LYS QG 1 25 PHE H 5.500 . 5.500 4.769 4.528 5.088 . 0 0 "[ . 1 . 2]" 1
285 1 24 GLN HA 1 25 PHE H 3.000 . 3.000 2.225 2.208 2.246 . 0 0 "[ . 1 . 2]" 1
286 1 24 GLN HB3 1 25 PHE H 5.500 . 5.500 4.131 4.081 4.166 . 0 0 "[ . 1 . 2]" 1
287 1 24 GLN HB2 1 25 PHE H 5.500 . 5.500 3.855 3.808 3.957 . 0 0 "[ . 1 . 2]" 1
288 1 24 GLN HG3 1 25 PHE H 5.500 . 5.500 2.126 2.073 2.172 . 0 0 "[ . 1 . 2]" 1
289 1 24 GLN HG2 1 25 PHE H 5.500 . 5.500 3.163 3.043 3.244 . 0 0 "[ . 1 . 2]" 1
290 1 24 GLN HE21 1 25 PHE H 5.500 . 5.500 4.022 3.922 4.090 . 0 0 "[ . 1 . 2]" 1
291 1 24 GLN HE22 1 25 PHE H 5.500 . 5.500 5.526 5.451 5.576 0.076 14 0 "[ . 1 . 2]" 1
292 1 25 PHE H 1 25 PHE HB3 4.000 . 4.000 3.608 3.572 3.637 . 0 0 "[ . 1 . 2]" 1
293 1 25 PHE H 1 25 PHE HB2 4.000 . 4.000 3.558 3.528 3.582 . 0 0 "[ . 1 . 2]" 1
294 1 25 PHE H 1 25 PHE HD1 5.500 . 5.500 2.418 2.147 2.586 . 0 0 "[ . 1 . 2]" 1
295 1 25 PHE H 1 25 PHE HD2 5.500 . 5.500 4.073 3.956 4.238 . 0 0 "[ . 1 . 2]" 1
296 1 25 PHE H 1 25 PHE HE2 5.500 . 5.500 4.958 4.862 5.090 . 0 0 "[ . 1 . 2]" 1
297 1 25 PHE H 1 25 PHE HE1 5.500 . 5.500 3.722 3.547 3.829 . 0 0 "[ . 1 . 2]" 1
298 1 25 PHE H 1 40 THR MG 5.500 . 5.500 4.396 4.233 4.562 . 0 0 "[ . 1 . 2]" 1
299 1 25 PHE H 1 45 TRP HE3 5.500 . 5.500 5.551 5.454 5.625 0.125 16 0 "[ . 1 . 2]" 1
300 1 25 PHE H 1 63 GLY HA3 5.500 . 5.500 3.759 3.577 3.920 . 0 0 "[ . 1 . 2]" 1
301 1 25 PHE H 1 64 LEU HA 5.500 . 5.500 4.496 4.274 4.637 . 0 0 "[ . 1 . 2]" 1
302 1 25 PHE H 1 65 VAL MG2 5.500 . 5.500 5.292 5.139 5.478 . 0 0 "[ . 1 . 2]" 1
303 1 25 PHE HD1 1 65 VAL MG2 5.500 . 5.500 5.094 4.869 5.319 . 0 0 "[ . 1 . 2]" 1
304 1 25 PHE HD2 1 65 VAL MG2 5.500 . 5.500 5.536 5.468 5.612 0.112 20 0 "[ . 1 . 2]" 1
305 1 25 PHE HE2 1 65 VAL HB 5.500 . 5.500 3.323 3.176 3.649 . 0 0 "[ . 1 . 2]" 1
306 1 25 PHE HE2 1 65 VAL MG1 5.500 . 5.500 4.052 3.804 4.296 . 0 0 "[ . 1 . 2]" 1
307 1 25 PHE HE2 1 65 VAL MG2 5.500 . 5.500 3.780 3.652 3.962 . 0 0 "[ . 1 . 2]" 1
308 1 25 PHE HE1 1 65 VAL MG2 5.500 . 5.500 3.109 2.806 3.380 . 0 0 "[ . 1 . 2]" 1
309 1 10 ILE MG 1 26 PHE H 5.500 . 5.500 4.197 3.785 4.459 . 0 0 "[ . 1 . 2]" 1
310 1 11 SER HB3 1 26 PHE H 5.500 . 5.500 4.117 3.237 5.381 . 0 0 "[ . 1 . 2]" 1
311 1 11 SER HB2 1 26 PHE H 5.500 . 5.500 4.112 3.419 5.139 . 0 0 "[ . 1 . 2]" 1
312 1 12 PRO HB2 1 26 PHE H 5.500 . 5.500 5.597 5.479 5.721 0.221 3 0 "[ . 1 . 2]" 1
313 1 12 PRO HD2 1 26 PHE H 5.500 . 5.500 5.499 5.283 5.640 0.140 15 0 "[ . 1 . 2]" 1
314 1 25 PHE HA 1 26 PHE H 3.000 . 3.000 2.306 2.284 2.331 . 0 0 "[ . 1 . 2]" 1
315 1 25 PHE HB3 1 26 PHE H 5.500 . 5.500 3.479 3.428 3.519 . 0 0 "[ . 1 . 2]" 1
316 1 25 PHE HB2 1 26 PHE H 5.500 . 5.500 2.867 2.816 2.960 . 0 0 "[ . 1 . 2]" 1
317 1 25 PHE HD2 1 26 PHE H 5.500 . 5.500 5.729 5.694 5.774 0.274 17 0 "[ . 1 . 2]" 1
318 1 26 PHE H 1 26 PHE HB3 4.000 . 4.000 3.739 3.721 3.776 . 0 0 "[ . 1 . 2]" 1
319 1 26 PHE H 1 26 PHE HB2 4.000 . 4.000 2.627 2.586 2.688 . 0 0 "[ . 1 . 2]" 1
320 1 26 PHE H 1 26 PHE HD1 5.500 . 5.500 4.434 4.257 4.678 . 0 0 "[ . 1 . 2]" 1
321 1 26 PHE H 1 26 PHE HD2 5.500 . 5.500 3.110 2.745 3.289 . 0 0 "[ . 1 . 2]" 1
322 1 26 PHE H 1 26 PHE HE2 5.500 . 5.500 4.882 4.621 5.011 . 0 0 "[ . 1 . 2]" 1
323 1 26 PHE H 1 27 ALA MB 5.500 . 5.500 5.272 5.167 5.342 . 0 0 "[ . 1 . 2]" 1
324 1 26 PHE H 1 40 THR MG 5.500 . 5.500 4.672 4.507 4.824 . 0 0 "[ . 1 . 2]" 1
325 1 26 PHE H 1 45 TRP HH2 5.500 . 5.500 4.222 3.953 4.318 . 0 0 "[ . 1 . 2]" 1
326 1 26 PHE H 1 45 TRP HZ2 5.500 . 5.500 5.226 5.004 5.381 . 0 0 "[ . 1 . 2]" 1
327 1 26 PHE H 1 45 TRP HZ3 5.500 . 5.500 5.515 5.182 5.624 0.124 14 0 "[ . 1 . 2]" 1
328 1 26 PHE HA 1 27 ALA HA 5.500 . 5.500 4.417 4.400 4.438 . 0 0 "[ . 1 . 2]" 1
329 1 26 PHE HA 1 40 THR MG 5.500 . 5.500 2.312 2.210 2.565 . 0 0 "[ . 1 . 2]" 1
330 1 25 PHE HA 1 26 PHE HD2 5.500 . 5.500 4.168 3.707 4.444 . 0 0 "[ . 1 . 2]" 1
331 1 26 PHE HD1 1 40 THR MG 5.500 . 5.500 2.352 2.243 2.763 . 0 0 "[ . 1 . 2]" 1
332 1 24 GLN HB3 1 26 PHE HE1 5.500 . 5.500 5.142 4.904 5.375 . 0 0 "[ . 1 . 2]" 1
333 1 24 GLN HB2 1 26 PHE HE1 5.500 . 5.500 5.548 5.489 5.613 0.113 19 0 "[ . 1 . 2]" 1
334 1 24 GLN HG3 1 26 PHE HE1 5.500 . 5.500 4.120 3.989 4.281 . 0 0 "[ . 1 . 2]" 1
335 1 24 GLN HG2 1 26 PHE HE1 5.500 . 5.500 3.320 3.144 3.547 . 0 0 "[ . 1 . 2]" 1
336 1 10 ILE HA 1 27 ALA H 5.500 . 5.500 5.523 5.270 5.647 0.147 13 0 "[ . 1 . 2]" 1
337 1 26 PHE HA 1 27 ALA H 3.000 . 3.000 2.252 2.178 2.311 . 0 0 "[ . 1 . 2]" 1
338 1 26 PHE HB3 1 27 ALA H 4.000 . 4.000 2.829 2.660 3.056 . 0 0 "[ . 1 . 2]" 1
339 1 26 PHE HB2 1 27 ALA H 4.000 . 4.000 3.819 3.687 3.997 . 0 0 "[ . 1 . 2]" 1
340 1 26 PHE HD1 1 27 ALA H 5.500 . 5.500 3.937 3.835 4.159 . 0 0 "[ . 1 . 2]" 1
341 1 27 ALA H 1 28 VAL HA 5.500 . 5.500 4.905 4.829 4.987 . 0 0 "[ . 1 . 2]" 1
342 1 27 ALA H 1 38 ASP HA 5.500 . 5.500 4.898 4.753 5.226 . 0 0 "[ . 1 . 2]" 1
343 1 27 ALA H 1 40 THR HA 5.500 . 5.500 3.192 2.893 3.388 . 0 0 "[ . 1 . 2]" 1
344 1 27 ALA H 1 40 THR HB 4.000 . 4.000 3.836 3.737 4.016 0.016 13 0 "[ . 1 . 2]" 1
345 1 27 ALA H 1 40 THR MG 4.000 . 4.000 3.153 2.765 3.392 . 0 0 "[ . 1 . 2]" 1
346 1 27 ALA H 1 43 VAL MG1 5.500 . 5.500 4.899 4.658 5.114 . 0 0 "[ . 1 . 2]" 1
347 1 27 ALA H 1 45 TRP HH2 5.500 . 5.500 3.614 3.206 3.870 . 0 0 "[ . 1 . 2]" 1
348 1 27 ALA H 1 45 TRP HZ2 5.500 . 5.500 2.824 2.535 3.001 . 0 0 "[ . 1 . 2]" 1
349 1 27 ALA MB 1 40 THR HB 5.500 . 5.500 4.721 4.395 4.978 . 0 0 "[ . 1 . 2]" 1
350 1 27 ALA MB 1 43 VAL MG1 5.500 . 5.500 2.549 2.421 2.639 . 0 0 "[ . 1 . 2]" 1
351 1 27 ALA MB 1 43 VAL MG2 5.500 . 5.500 2.208 2.123 2.363 . 0 0 "[ . 1 . 2]" 1
352 1 27 ALA MB 1 45 TRP HZ3 5.500 . 5.500 4.153 4.025 4.248 . 0 0 "[ . 1 . 2]" 1
353 1 27 ALA MB 1 77 ALA MB 5.500 . 5.500 3.533 3.222 3.696 . 0 0 "[ . 1 . 2]" 1
354 1 8 ILE HA 1 28 VAL H 5.500 . 5.500 5.414 5.064 5.621 0.121 5 0 "[ . 1 . 2]" 1
355 1 9 SER HA 1 28 VAL H 5.500 . 5.500 5.051 4.818 5.289 . 0 0 "[ . 1 . 2]" 1
356 1 10 ILE HA 1 28 VAL H 4.000 . 4.000 3.256 2.969 3.565 . 0 0 "[ . 1 . 2]" 1
357 1 26 PHE HB3 1 28 VAL H 5.500 . 5.500 5.535 5.427 5.607 0.107 14 0 "[ . 1 . 2]" 1
358 1 26 PHE HB2 1 28 VAL H 5.500 . 5.500 5.569 5.514 5.625 0.125 1 0 "[ . 1 . 2]" 1
359 1 27 ALA HA 1 28 VAL H 3.000 . 3.000 2.154 2.140 2.161 . 0 0 "[ . 1 . 2]" 1
360 1 27 ALA MB 1 28 VAL H 5.500 . 5.500 3.108 3.068 3.209 . 0 0 "[ . 1 . 2]" 1
361 1 28 VAL H 1 28 VAL HA 3.000 . 3.000 2.960 2.957 2.964 . 0 0 "[ . 1 . 2]" 1
362 1 28 VAL H 1 28 VAL HB 4.000 . 4.000 2.487 2.433 2.544 . 0 0 "[ . 1 . 2]" 1
363 1 28 VAL H 1 28 VAL MG2 4.000 . 4.000 2.908 2.805 3.003 . 0 0 "[ . 1 . 2]" 1
364 1 28 VAL H 1 29 GLY HA2 5.500 . 5.500 4.952 4.885 5.031 . 0 0 "[ . 1 . 2]" 1
365 1 28 VAL H 1 38 ASP HA 5.500 . 5.500 5.383 5.037 5.537 0.037 8 0 "[ . 1 . 2]" 1
366 1 28 VAL H 1 45 TRP HH2 5.500 . 5.500 5.416 5.191 5.574 0.074 9 0 "[ . 1 . 2]" 1
367 1 8 ILE HA 1 29 GLY H 5.500 . 5.500 5.261 4.970 5.560 0.060 9 0 "[ . 1 . 2]" 1
368 1 28 VAL HA 1 29 GLY H 3.000 . 3.000 2.157 2.145 2.166 . 0 0 "[ . 1 . 2]" 1
369 1 28 VAL HB 1 29 GLY H 5.500 . 5.500 4.261 4.202 4.304 . 0 0 "[ . 1 . 2]" 1
370 1 28 VAL MG1 1 29 GLY H 4.000 . 4.000 2.450 2.334 2.556 . 0 0 "[ . 1 . 2]" 1
371 1 28 VAL MG2 1 29 GLY H 5.500 . 5.500 3.844 3.799 3.929 . 0 0 "[ . 1 . 2]" 1
372 1 29 GLY H 1 29 GLY HA3 3.000 . 3.000 2.488 2.416 2.526 . 0 0 "[ . 1 . 2]" 1
373 1 29 GLY H 1 36 LYS HA 5.500 . 5.500 4.788 4.626 5.097 . 0 0 "[ . 1 . 2]" 1
374 1 29 GLY H 1 37 ALA HA 5.500 . 5.500 5.247 5.056 5.395 . 0 0 "[ . 1 . 2]" 1
375 1 29 GLY H 1 37 ALA MB 5.500 . 5.500 4.409 3.965 4.611 . 0 0 "[ . 1 . 2]" 1
376 1 29 GLY H 1 38 ASP HA 4.000 . 4.000 3.835 3.511 4.009 0.009 11 0 "[ . 1 . 2]" 1
377 1 7 SER HA 1 30 THR H 5.500 . 5.500 5.054 4.911 5.183 . 0 0 "[ . 1 . 2]" 1
378 1 7 SER HB3 1 30 THR H 5.500 . 5.500 5.410 5.165 5.590 0.090 17 0 "[ . 1 . 2]" 1
379 1 7 SER HB2 1 30 THR H 5.500 . 5.500 5.148 4.847 5.503 0.003 4 0 "[ . 1 . 2]" 1
380 1 8 ILE HA 1 30 THR H 4.000 . 4.000 3.707 3.432 3.998 . 0 0 "[ . 1 . 2]" 1
381 1 29 GLY HA3 1 30 THR H 4.000 . 4.000 2.969 2.917 3.034 . 0 0 "[ . 1 . 2]" 1
382 1 29 GLY HA2 1 30 THR H 4.000 . 4.000 2.246 2.205 2.279 . 0 0 "[ . 1 . 2]" 1
383 1 30 THR H 1 30 THR HB 4.000 . 4.000 2.526 2.458 2.613 . 0 0 "[ . 1 . 2]" 1
384 1 30 THR H 1 31 TYR HA 5.500 . 5.500 4.922 4.852 5.005 . 0 0 "[ . 1 . 2]" 1
385 1 30 THR HA 1 36 LYS HA 4.000 . 4.000 2.578 2.475 2.873 . 0 0 "[ . 1 . 2]" 1
386 1 6 SER HB2 1 31 TYR H 5.500 . 5.500 4.945 4.730 5.245 . 0 0 "[ . 1 . 2]" 1
387 1 30 THR HA 1 31 TYR H 3.000 . 3.000 2.138 2.129 2.145 . 0 0 "[ . 1 . 2]" 1
388 1 30 THR HB 1 31 TYR H 5.500 . 5.500 4.250 4.191 4.322 . 0 0 "[ . 1 . 2]" 1
389 1 30 THR MG 1 31 TYR H 4.000 . 4.000 2.555 2.401 2.657 . 0 0 "[ . 1 . 2]" 1
390 1 31 TYR H 1 31 TYR HA 3.000 . 3.000 2.904 2.894 2.916 . 0 0 "[ . 1 . 2]" 1
391 1 31 TYR H 1 31 TYR HB3 4.000 . 4.000 3.610 3.598 3.622 . 0 0 "[ . 1 . 2]" 1
392 1 31 TYR H 1 31 TYR HB2 4.000 . 4.000 2.396 2.363 2.430 . 0 0 "[ . 1 . 2]" 1
393 1 31 TYR H 1 31 TYR QD 4.000 . 4.000 2.365 2.123 2.665 . 0 0 "[ . 1 . 2]" 1
394 1 31 TYR H 1 31 TYR QE 5.500 . 5.500 4.418 4.309 4.555 . 0 0 "[ . 1 . 2]" 1
395 1 31 TYR H 1 35 THR HB 5.500 . 5.500 3.796 3.663 3.950 . 0 0 "[ . 1 . 2]" 1
396 1 31 TYR H 1 36 LYS HA 4.000 . 4.000 3.360 3.212 3.662 . 0 0 "[ . 1 . 2]" 1
397 1 3 ALA MB 1 31 TYR HB3 5.500 . 5.500 2.355 2.248 2.568 . 0 0 "[ . 1 . 2]" 1
398 1 3 ALA MB 1 31 TYR HB2 5.500 . 5.500 3.666 3.425 3.895 . 0 0 "[ . 1 . 2]" 1
399 1 4 THR HA 1 31 TYR QD 5.500 . 5.500 3.657 3.149 4.042 . 0 0 "[ . 1 . 2]" 1
400 1 5 LEU HA 1 31 TYR QD 5.500 . 5.500 3.518 2.920 4.142 . 0 0 "[ . 1 . 2]" 1
401 1 30 THR HA 1 31 TYR QD 5.500 . 5.500 3.596 3.327 3.993 . 0 0 "[ . 1 . 2]" 1
402 1 31 TYR QD 1 35 THR MG 5.500 . 5.500 2.868 2.368 3.327 . 0 0 "[ . 1 . 2]" 1
403 1 31 TYR QD 1 36 LYS HA 5.500 . 5.500 3.297 3.019 3.784 . 0 0 "[ . 1 . 2]" 1
404 1 31 TYR QD 1 37 ALA MB 5.500 . 5.500 3.534 3.308 3.708 . 0 0 "[ . 1 . 2]" 1
405 1 4 THR HA 1 31 TYR QE 5.500 . 5.500 4.147 3.400 4.714 . 0 0 "[ . 1 . 2]" 1
406 1 5 LEU HB2 1 31 TYR QE 5.500 . 5.500 4.452 3.795 5.328 . 0 0 "[ . 1 . 2]" 1
407 1 31 TYR HA 1 31 TYR QE 5.500 . 5.500 4.514 4.414 4.576 . 0 0 "[ . 1 . 2]" 1
408 1 31 TYR QE 1 36 LYS HA 5.500 . 5.500 4.273 4.047 4.798 . 0 0 "[ . 1 . 2]" 1
409 1 31 TYR QE 1 37 ALA MB 5.500 . 5.500 2.186 2.075 2.378 . 0 0 "[ . 1 . 2]" 1
410 1 31 TYR QE 1 39 LEU MD1 5.500 . 5.500 3.755 2.925 4.089 . 0 0 "[ . 1 . 2]" 1
411 1 31 TYR QE 1 39 LEU MD2 5.500 . 5.500 3.618 3.342 4.062 . 0 0 "[ . 1 . 2]" 1
412 1 31 TYR QE 1 39 LEU HG 5.500 . 5.500 4.788 4.433 5.190 . 0 0 "[ . 1 . 2]" 1
413 1 3 ALA HA 1 32 SER H 5.500 . 5.500 5.161 4.503 5.525 0.025 12 0 "[ . 1 . 2]" 1
414 1 3 ALA MB 1 32 SER H 5.500 . 5.500 3.591 3.071 3.790 . 0 0 "[ . 1 . 2]" 1
415 1 4 THR HA 1 32 SER H 5.500 . 5.500 5.187 4.836 5.467 . 0 0 "[ . 1 . 2]" 1
416 1 5 LEU HA 1 32 SER H 5.500 . 5.500 4.038 3.580 4.439 . 0 0 "[ . 1 . 2]" 1
417 1 6 SER HB3 1 32 SER H 5.500 . 5.500 4.587 4.027 5.013 . 0 0 "[ . 1 . 2]" 1
418 1 6 SER HB2 1 32 SER H 4.000 . 4.000 3.235 2.594 3.801 . 0 0 "[ . 1 . 2]" 1
419 1 31 TYR HA 1 32 SER H 3.000 . 3.000 2.258 2.226 2.284 . 0 0 "[ . 1 . 2]" 1
420 1 31 TYR HB3 1 32 SER H 4.000 . 4.000 2.828 2.750 2.936 . 0 0 "[ . 1 . 2]" 1
421 1 31 TYR QD 1 32 SER H 4.000 . 4.000 3.708 3.515 3.881 . 0 0 "[ . 1 . 2]" 1
422 1 31 TYR HB2 1 32 SER H 4.000 . 4.000 3.970 3.902 4.051 0.051 14 0 "[ . 1 . 2]" 1
423 1 32 SER H 1 32 SER HA 3.000 . 3.000 2.779 2.756 2.789 . 0 0 "[ . 1 . 2]" 1
424 1 32 SER H 1 33 ASP HB2 5.500 . 5.500 4.906 4.844 5.034 . 0 0 "[ . 1 . 2]" 1
425 1 3 ALA MB 1 33 ASP H 5.500 . 5.500 3.325 3.075 3.544 . 0 0 "[ . 1 . 2]" 1
426 1 6 SER HB2 1 33 ASP H 5.500 . 5.500 5.070 4.525 5.551 0.051 14 0 "[ . 1 . 2]" 1
427 1 30 THR MG 1 33 ASP H 5.500 . 5.500 4.753 4.640 4.857 . 0 0 "[ . 1 . 2]" 1
428 1 31 TYR HA 1 33 ASP H 5.500 . 5.500 3.763 3.703 3.834 . 0 0 "[ . 1 . 2]" 1
429 1 31 TYR HB3 1 33 ASP H 4.000 . 4.000 2.477 2.427 2.522 . 0 0 "[ . 1 . 2]" 1
430 1 31 TYR HB2 1 33 ASP H 4.000 . 4.000 3.003 2.925 3.123 . 0 0 "[ . 1 . 2]" 1
431 1 31 TYR QD 1 33 ASP H 5.500 . 5.500 4.446 4.391 4.491 . 0 0 "[ . 1 . 2]" 1
432 1 32 SER HA 1 33 ASP H 4.000 . 4.000 3.396 3.357 3.437 . 0 0 "[ . 1 . 2]" 1
433 1 32 SER HB3 1 33 ASP H 5.500 . 5.500 4.190 4.122 4.334 . 0 0 "[ . 1 . 2]" 1
434 1 32 SER HB2 1 33 ASP H 5.500 . 5.500 4.144 4.027 4.213 . 0 0 "[ . 1 . 2]" 1
435 1 33 ASP H 1 33 ASP HB3 4.000 . 4.000 3.437 2.496 3.618 . 0 0 "[ . 1 . 2]" 1
436 1 33 ASP H 1 33 ASP HB2 4.000 . 4.000 2.415 2.348 2.670 . 0 0 "[ . 1 . 2]" 1
437 1 33 ASP H 1 34 GLY HA3 5.500 . 5.500 5.150 5.092 5.204 . 0 0 "[ . 1 . 2]" 1
438 1 33 ASP H 1 34 GLY HA2 5.500 . 5.500 4.836 4.767 4.907 . 0 0 "[ . 1 . 2]" 1
439 1 3 ALA MB 1 34 GLY H 5.500 . 5.500 5.388 5.134 5.551 0.051 15 0 "[ . 1 . 2]" 1
440 1 30 THR MG 1 34 GLY H 5.500 . 5.500 3.448 3.358 3.513 . 0 0 "[ . 1 . 2]" 1
441 1 31 TYR HA 1 34 GLY H 5.500 . 5.500 4.720 4.654 4.803 . 0 0 "[ . 1 . 2]" 1
442 1 31 TYR HB3 1 34 GLY H 5.500 . 5.500 4.275 4.151 4.449 . 0 0 "[ . 1 . 2]" 1
443 1 31 TYR HB2 1 34 GLY H 5.500 . 5.500 3.743 3.611 3.908 . 0 0 "[ . 1 . 2]" 1
444 1 32 SER HA 1 34 GLY H 5.500 . 5.500 3.406 3.350 3.464 . 0 0 "[ . 1 . 2]" 1
445 1 33 ASP HA 1 34 GLY H 4.000 . 4.000 3.299 3.217 3.342 . 0 0 "[ . 1 . 2]" 1
446 1 33 ASP HB3 1 34 GLY H 5.500 . 5.500 4.106 3.414 4.315 . 0 0 "[ . 1 . 2]" 1
447 1 33 ASP HB2 1 34 GLY H 5.500 . 5.500 3.648 3.425 4.310 . 0 0 "[ . 1 . 2]" 1
448 1 34 GLY H 1 34 GLY HA3 3.000 . 3.000 2.915 2.887 2.932 . 0 0 "[ . 1 . 2]" 1
449 1 34 GLY H 1 34 GLY HA2 3.000 . 3.000 2.345 2.324 2.367 . 0 0 "[ . 1 . 2]" 1
450 1 30 THR MG 1 34 GLY HA3 5.500 . 5.500 4.358 4.217 4.439 . 0 0 "[ . 1 . 2]" 1
451 1 30 THR MG 1 34 GLY HA2 5.500 . 5.500 2.985 2.875 3.082 . 0 0 "[ . 1 . 2]" 1
452 1 3 ALA MB 1 35 THR H 5.500 . 5.500 5.278 5.010 5.486 . 0 0 "[ . 1 . 2]" 1
453 1 30 THR HA 1 35 THR H 5.500 . 5.500 5.221 5.083 5.366 . 0 0 "[ . 1 . 2]" 1
454 1 31 TYR HA 1 35 THR H 5.500 . 5.500 5.162 5.119 5.223 . 0 0 "[ . 1 . 2]" 1
455 1 31 TYR HB3 1 35 THR H 5.500 . 5.500 4.100 4.010 4.204 . 0 0 "[ . 1 . 2]" 1
456 1 31 TYR HB2 1 35 THR H 5.500 . 5.500 2.797 2.728 2.874 . 0 0 "[ . 1 . 2]" 1
457 1 31 TYR QD 1 35 THR H 5.500 . 5.500 4.295 4.146 4.401 . 0 0 "[ . 1 . 2]" 1
458 1 32 SER HA 1 35 THR H 5.500 . 5.500 5.594 5.548 5.631 0.131 14 0 "[ . 1 . 2]" 1
459 1 33 ASP HA 1 35 THR H 5.500 . 5.500 4.323 4.228 4.383 . 0 0 "[ . 1 . 2]" 1
460 1 34 GLY HA3 1 35 THR H 4.000 . 4.000 3.283 3.263 3.307 . 0 0 "[ . 1 . 2]" 1
461 1 34 GLY HA2 1 35 THR H 4.000 . 4.000 3.261 3.236 3.281 . 0 0 "[ . 1 . 2]" 1
462 1 35 THR H 1 35 THR HB 4.000 . 4.000 2.424 2.315 2.642 . 0 0 "[ . 1 . 2]" 1
463 1 30 THR HA 1 36 LYS H 5.500 . 5.500 5.043 4.926 5.334 . 0 0 "[ . 1 . 2]" 1
464 1 31 TYR HB2 1 36 LYS H 5.500 . 5.500 5.356 5.200 5.516 0.016 13 0 "[ . 1 . 2]" 1
465 1 35 THR HA 1 36 LYS H 3.000 . 3.000 2.300 2.191 2.377 . 0 0 "[ . 1 . 2]" 1
466 1 35 THR HB 1 36 LYS H 4.000 . 4.000 3.845 3.631 4.101 0.101 13 0 "[ . 1 . 2]" 1
467 1 35 THR MG 1 36 LYS H 4.000 . 4.000 1.909 1.749 2.336 . 0 0 "[ . 1 . 2]" 1
468 1 36 LYS H 1 36 LYS HB3 4.000 . 4.000 3.760 3.703 3.801 . 0 0 "[ . 1 . 2]" 1
469 1 36 LYS H 1 36 LYS HB2 4.000 . 4.000 2.603 2.505 2.667 . 0 0 "[ . 1 . 2]" 1
470 1 36 LYS H 1 36 LYS HG3 5.500 . 5.500 3.120 2.937 3.932 . 0 0 "[ . 1 . 2]" 1
471 1 36 LYS H 1 36 LYS HG2 5.500 . 5.500 3.944 2.664 4.146 . 0 0 "[ . 1 . 2]" 1
472 1 36 LYS H 1 36 LYS QE 5.500 . 5.500 4.960 4.030 5.516 0.016 18 0 "[ . 1 . 2]" 1
473 1 36 LYS H 1 37 ALA MB 5.500 . 5.500 4.420 4.337 4.563 . 0 0 "[ . 1 . 2]" 1
474 1 36 LYS HA 1 37 ALA MB 5.500 . 5.500 3.810 3.776 3.850 . 0 0 "[ . 1 . 2]" 1
475 1 28 VAL HA 1 37 ALA H 5.500 . 5.500 4.540 4.236 4.866 . 0 0 "[ . 1 . 2]" 1
476 1 28 VAL MG1 1 37 ALA H 5.500 . 5.500 3.238 2.582 3.684 . 0 0 "[ . 1 . 2]" 1
477 1 29 GLY HA3 1 37 ALA H 5.500 . 5.500 4.599 4.341 4.839 . 0 0 "[ . 1 . 2]" 1
478 1 29 GLY HA2 1 37 ALA H 5.500 . 5.500 5.247 5.068 5.475 . 0 0 "[ . 1 . 2]" 1
479 1 30 THR HA 1 37 ALA H 4.000 . 4.000 3.990 3.831 4.067 0.067 10 0 "[ . 1 . 2]" 1
480 1 31 TYR QD 1 37 ALA H 5.500 . 5.500 4.178 4.013 4.380 . 0 0 "[ . 1 . 2]" 1
481 1 31 TYR QE 1 37 ALA H 4.000 . 4.000 3.741 3.416 3.996 . 0 0 "[ . 1 . 2]" 1
482 1 35 THR MG 1 37 ALA H 5.500 . 5.500 4.433 4.275 4.677 . 0 0 "[ . 1 . 2]" 1
483 1 36 LYS HA 1 37 ALA H 3.000 . 3.000 2.272 2.204 2.309 . 0 0 "[ . 1 . 2]" 1
484 1 36 LYS HB3 1 37 ALA H 5.500 . 5.500 2.838 2.732 3.064 . 0 0 "[ . 1 . 2]" 1
485 1 36 LYS HB2 1 37 ALA H 5.500 . 5.500 3.961 3.874 4.055 . 0 0 "[ . 1 . 2]" 1
486 1 37 ALA H 1 37 ALA HA 3.000 . 3.000 2.892 2.879 2.918 . 0 0 "[ . 1 . 2]" 1
487 1 37 ALA H 1 38 ASP HA 5.500 . 5.500 4.712 4.687 4.747 . 0 0 "[ . 1 . 2]" 1
488 1 28 VAL HA 1 38 ASP H 5.500 . 5.500 5.294 4.917 5.432 . 0 0 "[ . 1 . 2]" 1
489 1 28 VAL MG2 1 38 ASP H 5.500 . 5.500 5.023 4.386 5.403 . 0 0 "[ . 1 . 2]" 1
490 1 37 ALA HA 1 38 ASP H 3.000 . 3.000 2.312 2.268 2.399 . 0 0 "[ . 1 . 2]" 1
491 1 37 ALA MB 1 38 ASP H 4.000 . 4.000 2.671 2.550 2.770 . 0 0 "[ . 1 . 2]" 1
492 1 38 ASP H 1 38 ASP HB3 4.000 . 4.000 2.790 2.447 3.591 . 0 0 "[ . 1 . 2]" 1
493 1 38 ASP H 1 38 ASP HB2 4.000 . 4.000 2.758 2.295 3.621 . 0 0 "[ . 1 . 2]" 1
494 1 27 ALA MB 1 38 ASP HA 5.500 . 5.500 4.859 4.627 5.111 . 0 0 "[ . 1 . 2]" 1
495 1 37 ALA MB 1 38 ASP HA 5.500 . 5.500 4.272 4.175 4.335 . 0 0 "[ . 1 . 2]" 1
496 1 27 ALA MB 1 39 LEU H 4.000 . 4.000 3.399 3.207 3.637 . 0 0 "[ . 1 . 2]" 1
497 1 28 VAL HA 1 39 LEU H 4.000 . 4.000 3.188 2.814 3.437 . 0 0 "[ . 1 . 2]" 1
498 1 37 ALA MB 1 39 LEU H 5.500 . 5.500 4.857 4.722 4.972 . 0 0 "[ . 1 . 2]" 1
499 1 38 ASP HA 1 39 LEU H 3.000 . 3.000 2.160 2.151 2.172 . 0 0 "[ . 1 . 2]" 1
500 1 38 ASP HB3 1 39 LEU H 5.500 . 5.500 4.057 3.298 4.293 . 0 0 "[ . 1 . 2]" 1
501 1 38 ASP HB2 1 39 LEU H 5.500 . 5.500 4.156 3.363 4.419 . 0 0 "[ . 1 . 2]" 1
502 1 39 LEU H 1 40 THR HA 5.500 . 5.500 4.462 4.403 4.510 . 0 0 "[ . 1 . 2]" 1
503 1 39 LEU H 1 40 THR HB 5.500 . 5.500 4.832 4.689 4.964 . 0 0 "[ . 1 . 2]" 1
504 1 26 PHE HA 1 40 THR H 5.500 . 5.500 4.935 4.854 5.078 . 0 0 "[ . 1 . 2]" 1
505 1 27 ALA MB 1 40 THR H 5.500 . 5.500 3.467 3.074 3.767 . 0 0 "[ . 1 . 2]" 1
506 1 38 ASP HB2 1 40 THR H 5.500 . 5.500 4.117 2.759 4.623 . 0 0 "[ . 1 . 2]" 1
507 1 39 LEU HA 1 40 THR H 5.500 . 5.500 3.166 3.085 3.270 . 0 0 "[ . 1 . 2]" 1
508 1 40 THR H 1 40 THR HA 3.000 . 3.000 2.797 2.740 2.822 . 0 0 "[ . 1 . 2]" 1
509 1 40 THR H 1 40 THR HB 4.000 . 4.000 2.612 2.509 2.765 . 0 0 "[ . 1 . 2]" 1
510 1 40 THR H 1 41 SER HA 5.500 . 5.500 5.305 5.246 5.423 . 0 0 "[ . 1 . 2]" 1
511 1 40 THR H 1 43 VAL MG2 5.500 . 5.500 3.966 3.858 4.064 . 0 0 "[ . 1 . 2]" 1
512 1 40 THR H 1 45 TRP HE1 5.500 . 5.500 5.519 5.381 5.648 0.148 17 0 "[ . 1 . 2]" 1
513 1 40 THR H 1 45 TRP HZ2 5.500 . 5.500 4.673 4.540 4.828 . 0 0 "[ . 1 . 2]" 1
514 1 27 ALA MB 1 40 THR HA 5.500 . 5.500 2.748 2.304 3.051 . 0 0 "[ . 1 . 2]" 1
515 1 40 THR HB 1 43 VAL MG2 5.500 . 5.500 4.546 4.470 4.645 . 0 0 "[ . 1 . 2]" 1
516 1 27 ALA MB 1 41 SER H 5.500 . 5.500 5.203 4.938 5.437 . 0 0 "[ . 1 . 2]" 1
517 1 39 LEU HA 1 41 SER H 5.500 . 5.500 3.382 3.210 3.524 . 0 0 "[ . 1 . 2]" 1
518 1 40 THR HA 1 41 SER H 4.000 . 4.000 3.487 3.434 3.511 . 0 0 "[ . 1 . 2]" 1
519 1 40 THR HB 1 41 SER H 4.000 . 4.000 2.832 2.740 3.042 . 0 0 "[ . 1 . 2]" 1
520 1 40 THR MG 1 41 SER H 5.500 . 5.500 3.744 3.557 3.850 . 0 0 "[ . 1 . 2]" 1
521 1 41 SER H 1 41 SER HB3 4.000 . 4.000 2.697 2.495 2.765 . 0 0 "[ . 1 . 2]" 1
522 1 41 SER H 1 41 SER HB2 4.000 . 4.000 3.641 3.621 3.658 . 0 0 "[ . 1 . 2]" 1
523 1 41 SER H 1 42 SER HA 5.500 . 5.500 4.930 4.885 4.959 . 0 0 "[ . 1 . 2]" 1
524 1 41 SER H 1 42 SER HB3 5.500 . 5.500 4.582 4.065 5.709 0.209 13 0 "[ . 1 . 2]" 1
525 1 41 SER H 1 42 SER HB2 5.500 . 5.500 5.196 4.121 5.674 0.174 18 0 "[ . 1 . 2]" 1
526 1 41 SER H 1 43 VAL MG1 5.500 . 5.500 4.783 4.547 4.971 . 0 0 "[ . 1 . 2]" 1
527 1 41 SER H 1 43 VAL MG2 5.500 . 5.500 4.171 4.084 4.264 . 0 0 "[ . 1 . 2]" 1
528 1 41 SER H 1 62 LYS HB3 5.500 . 5.500 5.046 4.460 5.523 0.023 16 0 "[ . 1 . 2]" 1
529 1 41 SER H 1 62 LYS HB2 5.500 . 5.500 5.158 4.525 5.558 0.058 3 0 "[ . 1 . 2]" 1
530 1 41 SER HA 1 43 VAL MG2 5.500 . 5.500 4.479 4.405 4.565 . 0 0 "[ . 1 . 2]" 1
531 1 27 ALA MB 1 42 SER H 5.500 . 5.500 5.193 4.951 5.358 . 0 0 "[ . 1 . 2]" 1
532 1 39 LEU HA 1 42 SER H 5.500 . 5.500 2.932 2.735 3.014 . 0 0 "[ . 1 . 2]" 1
533 1 41 SER HA 1 42 SER H 4.000 . 4.000 3.365 3.315 3.433 . 0 0 "[ . 1 . 2]" 1
534 1 41 SER HB3 1 42 SER H 5.500 . 5.500 4.220 4.004 4.293 . 0 0 "[ . 1 . 2]" 1
535 1 41 SER HB2 1 42 SER H 5.500 . 5.500 4.239 4.144 4.308 . 0 0 "[ . 1 . 2]" 1
536 1 42 SER H 1 42 SER HB3 4.000 . 4.000 2.771 2.319 3.734 . 0 0 "[ . 1 . 2]" 1
537 1 42 SER H 1 42 SER HB2 4.000 . 4.000 3.273 2.337 3.692 . 0 0 "[ . 1 . 2]" 1
538 1 42 SER H 1 43 VAL HA 5.500 . 5.500 4.802 4.737 4.913 . 0 0 "[ . 1 . 2]" 1
539 1 42 SER H 1 43 VAL MG1 5.500 . 5.500 3.573 3.452 3.671 . 0 0 "[ . 1 . 2]" 1
540 1 42 SER H 1 43 VAL MG2 5.500 . 5.500 3.454 3.282 3.696 . 0 0 "[ . 1 . 2]" 1
541 1 42 SER H 1 45 TRP HE1 5.500 . 5.500 5.321 5.184 5.551 0.051 1 0 "[ . 1 . 2]" 1
542 1 42 SER H 1 79 TYR HE1 5.500 . 5.500 5.469 5.311 5.575 0.075 2 0 "[ . 1 . 2]" 1
543 1 42 SER HB3 1 79 TYR HE1 5.500 . 5.500 3.173 2.306 3.871 . 0 0 "[ . 1 . 2]" 1
544 1 42 SER HB2 1 79 TYR HE1 5.500 . 5.500 2.674 2.317 3.555 . 0 0 "[ . 1 . 2]" 1
545 1 27 ALA MB 1 43 VAL H 5.500 . 5.500 4.491 4.280 4.666 . 0 0 "[ . 1 . 2]" 1
546 1 39 LEU HA 1 43 VAL H 5.500 . 5.500 4.077 3.998 4.202 . 0 0 "[ . 1 . 2]" 1
547 1 40 THR HA 1 43 VAL H 5.500 . 5.500 3.522 3.491 3.586 . 0 0 "[ . 1 . 2]" 1
548 1 41 SER HA 1 43 VAL H 5.500 . 5.500 4.320 4.121 4.430 . 0 0 "[ . 1 . 2]" 1
549 1 42 SER HA 1 43 VAL H 4.000 . 4.000 3.474 3.440 3.494 . 0 0 "[ . 1 . 2]" 1
550 1 42 SER HB3 1 43 VAL H 5.500 . 5.500 3.606 2.911 4.286 . 0 0 "[ . 1 . 2]" 1
551 1 42 SER HB2 1 43 VAL H 5.500 . 5.500 3.916 2.982 4.305 . 0 0 "[ . 1 . 2]" 1
552 1 43 VAL H 1 43 VAL HB 4.000 . 4.000 3.656 3.636 3.687 . 0 0 "[ . 1 . 2]" 1
553 1 43 VAL H 1 43 VAL MG1 4.000 . 4.000 2.366 2.265 2.476 . 0 0 "[ . 1 . 2]" 1
554 1 43 VAL H 1 43 VAL MG2 4.000 . 4.000 2.049 1.963 2.156 . 0 0 "[ . 1 . 2]" 1
555 1 43 VAL H 1 45 TRP HE1 5.500 . 5.500 4.331 4.235 4.460 . 0 0 "[ . 1 . 2]" 1
556 1 43 VAL H 1 45 TRP HZ2 5.500 . 5.500 5.369 5.313 5.461 . 0 0 "[ . 1 . 2]" 1
557 1 43 VAL H 1 79 TYR HA 5.500 . 5.500 5.503 5.395 5.597 0.097 11 0 "[ . 1 . 2]" 1
558 1 43 VAL H 1 79 TYR HE1 5.500 . 5.500 5.415 5.179 5.519 0.019 16 0 "[ . 1 . 2]" 1
559 1 43 VAL HA 1 77 ALA MB 5.500 . 5.500 4.682 4.399 5.016 . 0 0 "[ . 1 . 2]" 1
560 1 43 VAL HA 1 79 TYR HB3 5.500 . 5.500 4.659 4.182 5.131 . 0 0 "[ . 1 . 2]" 1
561 1 43 VAL HA 1 79 TYR HB2 5.500 . 5.500 3.014 2.472 3.571 . 0 0 "[ . 1 . 2]" 1
562 1 43 VAL HA 1 79 TYR HD1 5.500 . 5.500 3.037 2.800 3.301 . 0 0 "[ . 1 . 2]" 1
563 1 43 VAL HB 1 77 ALA MB 5.500 . 5.500 2.689 2.324 3.108 . 0 0 "[ . 1 . 2]" 1
564 1 43 VAL HA 1 44 THR H 3.000 . 3.000 2.255 2.198 2.316 . 0 0 "[ . 1 . 2]" 1
565 1 43 VAL HB 1 44 THR H 4.000 . 4.000 2.858 2.677 3.082 . 0 0 "[ . 1 . 2]" 1
566 1 43 VAL MG1 1 44 THR H 5.500 . 5.500 3.992 3.916 4.092 . 0 0 "[ . 1 . 2]" 1
567 1 43 VAL MG2 1 44 THR H 5.500 . 5.500 3.567 3.433 3.760 . 0 0 "[ . 1 . 2]" 1
568 1 44 THR H 1 44 THR HB 4.000 . 4.000 2.493 2.377 2.592 . 0 0 "[ . 1 . 2]" 1
569 1 44 THR H 1 77 ALA HA 5.500 . 5.500 4.241 4.026 4.543 . 0 0 "[ . 1 . 2]" 1
570 1 44 THR H 1 77 ALA MB 5.500 . 5.500 4.281 4.056 4.732 . 0 0 "[ . 1 . 2]" 1
571 1 44 THR H 1 78 THR HA 5.500 . 5.500 4.714 4.482 5.024 . 0 0 "[ . 1 . 2]" 1
572 1 44 THR H 1 78 THR HB 5.500 . 5.500 3.492 3.230 3.971 . 0 0 "[ . 1 . 2]" 1
573 1 44 THR H 1 78 THR MG 5.500 . 5.500 4.362 4.120 4.616 . 0 0 "[ . 1 . 2]" 1
574 1 44 THR H 1 79 TYR HA 5.500 . 5.500 3.994 3.686 4.284 . 0 0 "[ . 1 . 2]" 1
575 1 44 THR H 1 79 TYR HB2 5.500 . 5.500 4.523 3.957 5.014 . 0 0 "[ . 1 . 2]" 1
576 1 44 THR H 1 79 TYR HD1 5.500 . 5.500 5.075 4.806 5.402 . 0 0 "[ . 1 . 2]" 1
577 1 44 THR HA 1 45 TRP HA 5.500 . 5.500 4.392 4.383 4.406 . 0 0 "[ . 1 . 2]" 1
578 1 43 VAL MG2 1 45 TRP H 5.500 . 5.500 4.109 3.955 4.268 . 0 0 "[ . 1 . 2]" 1
579 1 44 THR HA 1 45 TRP H 3.000 . 3.000 2.150 2.142 2.156 . 0 0 "[ . 1 . 2]" 1
580 1 44 THR HB 1 45 TRP H 5.500 . 5.500 4.288 4.217 4.370 . 0 0 "[ . 1 . 2]" 1
581 1 44 THR MG 1 45 TRP H 4.000 . 4.000 2.661 2.487 2.918 . 0 0 "[ . 1 . 2]" 1
582 1 45 TRP H 1 45 TRP HB3 4.000 . 4.000 3.650 3.620 3.665 . 0 0 "[ . 1 . 2]" 1
583 1 45 TRP H 1 45 TRP HB2 4.000 . 4.000 2.590 2.549 2.623 . 0 0 "[ . 1 . 2]" 1
584 1 45 TRP H 1 45 TRP HD1 5.500 . 5.500 1.942 1.778 2.168 . 0 0 "[ . 1 . 2]" 1
585 1 45 TRP H 1 45 TRP HE3 5.500 . 5.500 5.391 5.307 5.443 . 0 0 "[ . 1 . 2]" 1
586 1 45 TRP H 1 55 VAL MG1 5.500 . 5.500 4.983 3.927 5.528 0.028 15 0 "[ . 1 . 2]" 1
587 1 45 TRP H 1 55 VAL MG2 5.500 . 5.500 4.536 3.939 5.660 0.160 16 0 "[ . 1 . 2]" 1
588 1 45 TRP H 1 57 ASN HD21 5.500 . 5.500 4.478 3.400 4.888 . 0 0 "[ . 1 . 2]" 1
589 1 45 TRP H 1 57 ASN HD22 5.500 . 5.500 3.866 3.104 4.272 . 0 0 "[ . 1 . 2]" 1
590 1 45 TRP H 1 77 ALA HA 5.500 . 5.500 4.960 4.777 5.126 . 0 0 "[ . 1 . 2]" 1
591 1 25 PHE HE1 1 45 TRP HE1 5.500 . 5.500 4.867 4.597 5.278 . 0 0 "[ . 1 . 2]" 1
592 1 27 ALA MB 1 45 TRP HE1 5.500 . 5.500 4.284 4.044 4.432 . 0 0 "[ . 1 . 2]" 1
593 1 43 VAL MG1 1 45 TRP HE1 5.500 . 5.500 4.642 4.460 4.827 . 0 0 "[ . 1 . 2]" 1
594 1 45 TRP H 1 45 TRP HE1 5.500 . 5.500 4.233 4.056 4.439 . 0 0 "[ . 1 . 2]" 1
595 1 45 TRP HB2 1 45 TRP HE1 5.500 . 5.500 4.813 4.795 4.831 . 0 0 "[ . 1 . 2]" 1
596 1 45 TRP HE1 1 63 GLY HA2 5.500 . 5.500 3.494 3.257 3.720 . 0 0 "[ . 1 . 2]" 1
597 1 43 VAL MG2 1 45 TRP HA 5.500 . 5.500 4.400 4.251 4.487 . 0 0 "[ . 1 . 2]" 1
598 1 45 TRP HA 1 45 TRP HE1 5.500 . 5.500 5.400 5.375 5.418 . 0 0 "[ . 1 . 2]" 1
599 1 45 TRP HA 1 45 TRP HE3 5.500 . 5.500 3.560 3.421 3.721 . 0 0 "[ . 1 . 2]" 1
600 1 45 TRP HA 1 77 ALA HA 4.000 . 4.000 2.815 2.663 2.927 . 0 0 "[ . 1 . 2]" 1
601 1 45 TRP HA 1 77 ALA MB 5.500 . 5.500 3.603 3.298 3.806 . 0 0 "[ . 1 . 2]" 1
602 1 45 TRP HB3 1 55 VAL MG1 5.500 . 5.500 4.927 3.402 5.570 0.070 6 0 "[ . 1 . 2]" 1
603 1 45 TRP HB3 1 55 VAL MG2 5.500 . 5.500 3.854 3.324 4.430 . 0 0 "[ . 1 . 2]" 1
604 1 45 TRP HB2 1 55 VAL MG1 5.500 . 5.500 4.193 2.651 4.984 . 0 0 "[ . 1 . 2]" 1
605 1 45 TRP HB2 1 55 VAL MG2 5.500 . 5.500 3.163 2.593 4.091 . 0 0 "[ . 1 . 2]" 1
606 1 40 THR HB 1 45 TRP HE1 5.500 . 5.500 4.813 4.652 4.972 . 0 0 "[ . 1 . 2]" 1
607 1 40 THR MG 1 45 TRP HE1 4.000 . 4.000 2.269 2.083 2.451 . 0 0 "[ . 1 . 2]" 1
608 1 41 SER HA 1 45 TRP HE1 5.500 . 5.500 4.812 4.728 4.901 . 0 0 "[ . 1 . 2]" 1
609 1 43 VAL MG2 1 45 TRP HE1 4.000 . 4.000 2.213 2.117 2.340 . 0 0 "[ . 1 . 2]" 1
610 1 45 TRP HE1 1 62 LYS HB3 5.500 . 5.500 4.137 3.415 5.547 0.047 16 0 "[ . 1 . 2]" 1
611 1 45 TRP HE1 1 62 LYS HB2 5.500 . 5.500 5.200 3.813 5.577 0.077 14 0 "[ . 1 . 2]" 1
612 1 45 TRP HE1 1 63 GLY HA3 5.500 . 5.500 3.552 3.455 3.872 . 0 0 "[ . 1 . 2]" 1
613 1 10 ILE HA 1 45 TRP HH2 5.500 . 5.500 4.377 4.107 4.818 . 0 0 "[ . 1 . 2]" 1
614 1 26 PHE HB2 1 45 TRP HH2 5.500 . 5.500 5.441 5.169 5.566 0.066 14 0 "[ . 1 . 2]" 1
615 1 27 ALA HA 1 45 TRP HH2 5.500 . 5.500 3.278 3.058 3.428 . 0 0 "[ . 1 . 2]" 1
616 1 27 ALA MB 1 45 TRP HH2 5.500 . 5.500 2.329 2.262 2.550 . 0 0 "[ . 1 . 2]" 1
617 1 26 PHE HA 1 45 TRP HZ2 5.500 . 5.500 3.184 2.907 3.504 . 0 0 "[ . 1 . 2]" 1
618 1 27 ALA MB 1 45 TRP HZ2 5.500 . 5.500 2.295 2.148 2.454 . 0 0 "[ . 1 . 2]" 1
619 1 40 THR HB 1 45 TRP HZ2 5.500 . 5.500 4.560 4.373 4.754 . 0 0 "[ . 1 . 2]" 1
620 1 40 THR MG 1 45 TRP HZ2 5.500 . 5.500 2.489 2.248 2.826 . 0 0 "[ . 1 . 2]" 1
621 1 43 VAL MG2 1 45 TRP HZ2 5.500 . 5.500 2.541 2.463 2.651 . 0 0 "[ . 1 . 2]" 1
622 1 45 TRP HA 1 46 SER H 3.000 . 3.000 2.181 2.166 2.202 . 0 0 "[ . 1 . 2]" 1
623 1 45 TRP HB3 1 46 SER H 4.000 . 4.000 3.127 3.022 3.213 . 0 0 "[ . 1 . 2]" 1
624 1 45 TRP HB2 1 46 SER H 5.500 . 5.500 3.986 3.885 4.052 . 0 0 "[ . 1 . 2]" 1
625 1 45 TRP HE3 1 46 SER H 5.500 . 5.500 4.471 4.299 4.677 . 0 0 "[ . 1 . 2]" 1
626 1 46 SER H 1 46 SER HB3 4.000 . 4.000 3.291 2.718 3.915 . 0 0 "[ . 1 . 2]" 1
627 1 46 SER H 1 46 SER HB2 4.000 . 4.000 3.588 2.738 3.959 . 0 0 "[ . 1 . 2]" 1
628 1 46 SER H 1 47 SER HB2 5.500 . 5.500 5.226 5.090 5.471 . 0 0 "[ . 1 . 2]" 1
629 1 46 SER H 1 55 VAL MG1 5.500 . 5.500 4.762 4.149 5.160 . 0 0 "[ . 1 . 2]" 1
630 1 46 SER H 1 55 VAL MG2 5.500 . 5.500 4.416 4.022 4.851 . 0 0 "[ . 1 . 2]" 1
631 1 46 SER H 1 75 ILE HA 5.500 . 5.500 4.164 3.988 4.356 . 0 0 "[ . 1 . 2]" 1
632 1 46 SER H 1 76 ILE HA 5.500 . 5.500 5.080 4.856 5.235 . 0 0 "[ . 1 . 2]" 1
633 1 46 SER H 1 76 ILE HB 5.500 . 5.500 4.256 3.871 4.508 . 0 0 "[ . 1 . 2]" 1
634 1 46 SER H 1 76 ILE MG 5.500 . 5.500 4.951 4.687 5.193 . 0 0 "[ . 1 . 2]" 1
635 1 46 SER H 1 77 ALA HA 4.000 . 4.000 3.873 3.621 4.033 0.033 20 0 "[ . 1 . 2]" 1
636 1 46 SER H 1 77 ALA MB 5.500 . 5.500 4.760 4.441 4.941 . 0 0 "[ . 1 . 2]" 1
637 1 46 SER HA 1 55 VAL HB 5.500 . 5.500 3.483 2.903 3.935 . 0 0 "[ . 1 . 2]" 1
638 1 46 SER HA 1 47 SER H 3.000 . 3.000 2.409 2.253 2.487 . 0 0 "[ . 1 . 2]" 1
639 1 46 SER HB3 1 47 SER H 4.000 . 4.000 3.571 2.321 4.054 0.054 10 0 "[ . 1 . 2]" 1
640 1 46 SER HB2 1 47 SER H 4.000 . 4.000 3.012 2.358 3.973 . 0 0 "[ . 1 . 2]" 1
641 1 47 SER H 1 47 SER HB3 4.000 . 4.000 2.703 2.511 2.788 . 0 0 "[ . 1 . 2]" 1
642 1 47 SER H 1 47 SER HB2 4.000 . 4.000 3.243 3.054 3.349 . 0 0 "[ . 1 . 2]" 1
643 1 47 SER H 1 48 SER HA 5.500 . 5.500 4.956 4.842 5.175 . 0 0 "[ . 1 . 2]" 1
644 1 47 SER H 1 50 GLN HG3 5.500 . 5.500 4.738 4.013 5.517 0.017 17 0 "[ . 1 . 2]" 1
645 1 47 SER H 1 50 GLN HG2 5.500 . 5.500 4.171 3.613 4.533 . 0 0 "[ . 1 . 2]" 1
646 1 47 SER H 1 55 VAL MG1 5.500 . 5.500 3.573 2.759 4.834 . 0 0 "[ . 1 . 2]" 1
647 1 47 SER H 1 55 VAL MG2 5.500 . 5.500 4.123 2.259 5.109 . 0 0 "[ . 1 . 2]" 1
648 1 47 SER H 1 75 ILE HA 5.500 . 5.500 4.988 4.820 5.196 . 0 0 "[ . 1 . 2]" 1
649 1 47 SER HA 1 48 SER H 3.000 . 3.000 2.218 2.184 2.255 . 0 0 "[ . 1 . 2]" 1
650 1 47 SER HB3 1 48 SER H 5.500 . 5.500 3.999 3.883 4.117 . 0 0 "[ . 1 . 2]" 1
651 1 47 SER HB2 1 48 SER H 4.000 . 4.000 4.005 3.927 4.076 0.076 9 0 "[ . 1 . 2]" 1
652 1 48 SER H 1 48 SER HA 3.000 . 3.000 2.844 2.819 2.862 . 0 0 "[ . 1 . 2]" 1
653 1 48 SER H 1 48 SER HB3 4.000 . 4.000 2.585 2.480 2.678 . 0 0 "[ . 1 . 2]" 1
654 1 48 SER H 1 48 SER HB2 4.000 . 4.000 3.594 3.588 3.601 . 0 0 "[ . 1 . 2]" 1
655 1 48 SER H 1 74 THR HB 5.500 . 5.500 3.749 3.169 4.029 . 0 0 "[ . 1 . 2]" 1
656 1 48 SER H 1 74 THR MG 5.500 . 5.500 4.456 4.096 4.873 . 0 0 "[ . 1 . 2]" 1
657 1 48 SER H 1 75 ILE MD 5.500 . 5.500 3.932 3.242 4.482 . 0 0 "[ . 1 . 2]" 1
658 1 48 SER H 1 76 ILE MD 5.500 . 5.500 4.618 2.989 5.330 . 0 0 "[ . 1 . 2]" 1
659 1 47 SER HA 1 49 ASN H 4.000 . 4.000 3.916 3.732 4.007 0.007 8 0 "[ . 1 . 2]" 1
660 1 47 SER HB3 1 49 ASN H 4.000 . 4.000 3.698 3.329 3.967 . 0 0 "[ . 1 . 2]" 1
661 1 47 SER HB2 1 49 ASN H 5.500 . 5.500 4.375 4.191 4.533 . 0 0 "[ . 1 . 2]" 1
662 1 48 SER HA 1 49 ASN H 4.000 . 4.000 3.492 3.449 3.519 . 0 0 "[ . 1 . 2]" 1
663 1 48 SER HB3 1 49 ASN H 5.500 . 5.500 3.936 3.800 4.037 . 0 0 "[ . 1 . 2]" 1
664 1 48 SER HB2 1 49 ASN H 5.500 . 5.500 3.796 3.643 3.952 . 0 0 "[ . 1 . 2]" 1
665 1 49 ASN H 1 49 ASN HB3 4.000 . 4.000 3.538 3.460 3.603 . 0 0 "[ . 1 . 2]" 1
666 1 49 ASN H 1 49 ASN HB2 4.000 . 4.000 2.264 2.164 2.356 . 0 0 "[ . 1 . 2]" 1
667 1 49 ASN H 1 50 GLN HA 5.500 . 5.500 4.991 4.898 5.083 . 0 0 "[ . 1 . 2]" 1
668 1 49 ASN H 1 50 GLN QG 5.500 . 5.500 4.410 4.263 4.528 . 0 0 "[ . 1 . 2]" 1
669 1 49 ASN H 1 53 ALA MB 5.500 . 5.500 4.133 3.845 4.798 . 0 0 "[ . 1 . 2]" 1
670 1 49 ASN H 1 74 THR HB 5.500 . 5.500 5.273 4.573 5.541 0.041 4 0 "[ . 1 . 2]" 1
671 1 49 ASN H 1 75 ILE MD 5.500 . 5.500 4.704 4.236 5.195 . 0 0 "[ . 1 . 2]" 1
672 1 49 ASN HB3 1 53 ALA MB 5.500 . 5.500 2.553 2.233 3.791 . 0 0 "[ . 1 . 2]" 1
673 1 49 ASN HB2 1 53 ALA MB 5.500 . 5.500 2.745 2.301 3.672 . 0 0 "[ . 1 . 2]" 1
674 1 49 ASN HA 1 51 SER H 5.500 . 5.500 3.485 3.171 3.707 . 0 0 "[ . 1 . 2]" 1
675 1 49 ASN HB3 1 51 SER H 5.500 . 5.500 4.652 3.968 4.957 . 0 0 "[ . 1 . 2]" 1
676 1 50 GLN HA 1 51 SER H 4.000 . 4.000 3.515 3.427 3.546 . 0 0 "[ . 1 . 2]" 1
677 1 50 GLN HB3 1 51 SER H 5.500 . 5.500 3.618 3.421 3.948 . 0 0 "[ . 1 . 2]" 1
678 1 50 GLN HB2 1 51 SER H 5.500 . 5.500 2.668 2.426 3.061 . 0 0 "[ . 1 . 2]" 1
679 1 50 GLN HG3 1 51 SER H 5.500 . 5.500 4.562 4.252 5.238 . 0 0 "[ . 1 . 2]" 1
680 1 50 GLN HG2 1 51 SER H 5.500 . 5.500 4.769 4.327 5.101 . 0 0 "[ . 1 . 2]" 1
681 1 51 SER H 1 51 SER HB3 4.000 . 4.000 2.915 2.266 3.596 . 0 0 "[ . 1 . 2]" 1
682 1 51 SER H 1 51 SER HB2 4.000 . 4.000 2.899 2.299 3.602 . 0 0 "[ . 1 . 2]" 1
683 1 51 SER H 1 52 GLN HA 5.500 . 5.500 5.201 5.172 5.239 . 0 0 "[ . 1 . 2]" 1
684 1 51 SER H 1 52 GLN HB2 5.500 . 5.500 4.732 4.621 4.909 . 0 0 "[ . 1 . 2]" 1
685 1 51 SER H 1 52 GLN QG 5.500 . 5.500 4.395 4.130 4.553 . 0 0 "[ . 1 . 2]" 1
686 1 49 ASN HB3 1 52 GLN H 5.500 . 5.500 3.049 2.719 3.233 . 0 0 "[ . 1 . 2]" 1
687 1 49 ASN HB2 1 52 GLN H 5.500 . 5.500 4.583 4.199 4.763 . 0 0 "[ . 1 . 2]" 1
688 1 50 GLN HA 1 52 GLN H 5.500 . 5.500 4.303 4.045 4.430 . 0 0 "[ . 1 . 2]" 1
689 1 51 SER HA 1 52 GLN H 4.000 . 4.000 3.521 3.512 3.531 . 0 0 "[ . 1 . 2]" 1
690 1 51 SER HB3 1 52 GLN H 5.500 . 5.500 3.554 2.739 4.058 . 0 0 "[ . 1 . 2]" 1
691 1 51 SER HB2 1 52 GLN H 5.500 . 5.500 3.515 2.714 4.115 . 0 0 "[ . 1 . 2]" 1
692 1 52 GLN H 1 52 GLN HB3 4.000 . 4.000 3.644 3.608 3.674 . 0 0 "[ . 1 . 2]" 1
693 1 52 GLN H 1 52 GLN HB2 4.000 . 4.000 2.423 2.360 2.524 . 0 0 "[ . 1 . 2]" 1
694 1 52 GLN H 1 52 GLN HG3 5.500 . 5.500 2.990 2.602 3.944 . 0 0 "[ . 1 . 2]" 1
695 1 52 GLN H 1 52 GLN HG2 5.500 . 5.500 3.655 2.434 4.029 . 0 0 "[ . 1 . 2]" 1
696 1 52 GLN H 1 53 ALA HA 5.500 . 5.500 4.983 4.938 5.034 . 0 0 "[ . 1 . 2]" 1
697 1 52 GLN H 1 53 ALA MB 5.500 . 5.500 3.969 3.842 4.184 . 0 0 "[ . 1 . 2]" 1
698 1 50 GLN HA 1 53 ALA H 4.000 . 4.000 3.429 3.212 3.562 . 0 0 "[ . 1 . 2]" 1
699 1 51 SER HA 1 53 ALA H 5.500 . 5.500 3.970 3.909 4.051 . 0 0 "[ . 1 . 2]" 1
700 1 51 SER HB2 1 53 ALA H 5.500 . 5.500 5.191 4.756 5.562 0.062 12 0 "[ . 1 . 2]" 1
701 1 52 GLN HA 1 53 ALA H 4.000 . 4.000 3.226 3.167 3.301 . 0 0 "[ . 1 . 2]" 1
702 1 52 GLN HB3 1 53 ALA H 5.500 . 5.500 4.288 4.196 4.367 . 0 0 "[ . 1 . 2]" 1
703 1 52 GLN HB2 1 53 ALA H 5.500 . 5.500 3.680 3.522 3.791 . 0 0 "[ . 1 . 2]" 1
704 1 52 GLN QG 1 53 ALA H 5.500 . 5.500 4.390 4.309 4.465 . 0 0 "[ . 1 . 2]" 1
705 1 53 ALA H 1 54 LYS HA 5.500 . 5.500 4.633 4.604 4.671 . 0 0 "[ . 1 . 2]" 1
706 1 53 ALA H 1 54 LYS QG 5.500 . 5.500 3.976 3.589 5.403 . 0 0 "[ . 1 . 2]" 1
707 1 53 ALA HA 1 67 GLY HA3 5.500 . 5.500 4.848 4.272 5.245 . 0 0 "[ . 1 . 2]" 1
708 1 53 ALA HA 1 67 GLY HA2 5.500 . 5.500 3.146 2.740 3.501 . 0 0 "[ . 1 . 2]" 1
709 1 53 ALA HA 1 54 LYS H 4.000 . 4.000 2.289 2.242 2.365 . 0 0 "[ . 1 . 2]" 1
710 1 53 ALA MB 1 54 LYS H 4.000 . 4.000 2.797 2.557 2.910 . 0 0 "[ . 1 . 2]" 1
711 1 54 LYS H 1 54 LYS HG3 5.500 . 5.500 3.235 2.971 4.506 . 0 0 "[ . 1 . 2]" 1
712 1 54 LYS H 1 54 LYS QD 5.500 . 5.500 4.384 4.120 4.853 . 0 0 "[ . 1 . 2]" 1
713 1 54 LYS H 1 55 VAL HA 5.500 . 5.500 4.823 4.765 4.886 . 0 0 "[ . 1 . 2]" 1
714 1 54 LYS H 1 65 VAL HA 5.500 . 5.500 5.461 5.148 5.688 0.188 6 0 "[ . 1 . 2]" 1
715 1 54 LYS H 1 65 VAL MG1 5.500 . 5.500 3.871 3.635 4.094 . 0 0 "[ . 1 . 2]" 1
716 1 54 LYS H 1 66 THR HA 5.500 . 5.500 5.508 5.324 5.620 0.120 17 0 "[ . 1 . 2]" 1
717 1 54 LYS H 1 66 THR HB 5.500 . 5.500 4.152 3.433 5.549 0.049 16 0 "[ . 1 . 2]" 1
718 1 54 LYS H 1 66 THR MG 5.500 . 5.500 4.490 2.551 5.095 . 0 0 "[ . 1 . 2]" 1
719 1 54 LYS H 1 67 GLY HA2 5.500 . 5.500 3.943 3.392 4.238 . 0 0 "[ . 1 . 2]" 1
720 1 47 SER HB3 1 55 VAL H 5.500 . 5.500 5.356 4.854 5.606 0.106 8 0 "[ . 1 . 2]" 1
721 1 54 LYS HA 1 55 VAL H 3.000 . 3.000 2.212 2.177 2.249 . 0 0 "[ . 1 . 2]" 1
722 1 54 LYS HB3 1 55 VAL H 5.500 . 5.500 3.121 2.834 4.044 . 0 0 "[ . 1 . 2]" 1
723 1 54 LYS HB2 1 55 VAL H 5.500 . 5.500 3.958 2.886 4.348 . 0 0 "[ . 1 . 2]" 1
724 1 54 LYS HG3 1 55 VAL H 5.500 . 5.500 4.777 3.382 5.197 . 0 0 "[ . 1 . 2]" 1
725 1 54 LYS HG2 1 55 VAL H 5.500 . 5.500 4.144 2.715 4.887 . 0 0 "[ . 1 . 2]" 1
726 1 54 LYS QD 1 55 VAL H 5.500 . 5.500 4.954 3.468 5.497 . 0 0 "[ . 1 . 2]" 1
727 1 55 VAL H 1 55 VAL HB 4.000 . 4.000 2.951 2.515 3.216 . 0 0 "[ . 1 . 2]" 1
728 1 55 VAL H 1 65 VAL HA 5.500 . 5.500 5.391 5.200 5.530 0.030 17 0 "[ . 1 . 2]" 1
729 1 55 VAL H 1 65 VAL MG2 5.500 . 5.500 4.731 4.503 5.039 . 0 0 "[ . 1 . 2]" 1
730 1 55 VAL HB 1 65 VAL MG2 5.500 . 5.500 2.778 2.229 4.357 . 0 0 "[ . 1 . 2]" 1
731 1 55 VAL HA 1 56 SER H 3.000 . 3.000 2.144 2.130 2.153 . 0 0 "[ . 1 . 2]" 1
732 1 55 VAL HB 1 56 SER H 5.500 . 5.500 4.343 4.280 4.400 . 0 0 "[ . 1 . 2]" 1
733 1 55 VAL MG1 1 56 SER H 5.500 . 5.500 3.736 2.743 4.183 . 0 0 "[ . 1 . 2]" 1
734 1 55 VAL MG2 1 56 SER H 5.500 . 5.500 3.218 2.719 4.173 . 0 0 "[ . 1 . 2]" 1
735 1 56 SER H 1 56 SER HB3 4.000 . 4.000 3.178 2.720 3.905 . 0 0 "[ . 1 . 2]" 1
736 1 56 SER H 1 56 SER HB2 4.000 . 4.000 3.336 2.711 3.895 . 0 0 "[ . 1 . 2]" 1
737 1 56 SER H 1 64 LEU HB3 5.500 . 5.500 4.369 3.953 4.753 . 0 0 "[ . 1 . 2]" 1
738 1 56 SER H 1 65 VAL HA 4.000 . 4.000 3.478 2.944 3.931 . 0 0 "[ . 1 . 2]" 1
739 1 56 SER H 1 65 VAL MG2 5.500 . 5.500 4.123 3.522 4.776 . 0 0 "[ . 1 . 2]" 1
740 1 56 SER HA 1 57 ASN H 3.000 . 3.000 2.174 2.148 2.206 . 0 0 "[ . 1 . 2]" 1
741 1 56 SER HB3 1 57 ASN H 5.500 . 5.500 4.248 3.614 4.515 . 0 0 "[ . 1 . 2]" 1
742 1 56 SER HB2 1 57 ASN H 5.500 . 5.500 4.214 3.572 4.509 . 0 0 "[ . 1 . 2]" 1
743 1 57 ASN H 1 57 ASN HB3 4.000 . 4.000 3.687 3.093 3.864 . 0 0 "[ . 1 . 2]" 1
744 1 57 ASN H 1 57 ASN HB2 4.000 . 4.000 3.525 2.993 3.845 . 0 0 "[ . 1 . 2]" 1
745 1 57 ASN H 1 57 ASN HD22 5.500 . 5.500 3.849 3.016 4.281 . 0 0 "[ . 1 . 2]" 1
746 1 57 ASN H 1 58 ALA HA 5.500 . 5.500 4.719 4.609 4.899 . 0 0 "[ . 1 . 2]" 1
747 1 57 ASN H 1 58 ALA MB 5.500 . 5.500 5.291 5.227 5.383 . 0 0 "[ . 1 . 2]" 1
748 1 57 ASN H 1 62 LYS HA 5.500 . 5.500 5.165 4.946 5.456 . 0 0 "[ . 1 . 2]" 1
749 1 57 ASN H 1 63 GLY H 5.500 . 5.500 5.225 4.739 5.516 0.016 1 0 "[ . 1 . 2]" 1
750 1 57 ASN H 1 64 LEU QB 5.500 . 5.500 4.804 4.521 5.147 . 0 0 "[ . 1 . 2]" 1
751 1 44 THR HA 1 57 ASN HD21 5.500 . 5.500 5.437 4.674 5.664 0.164 19 0 "[ . 1 . 2]" 1
752 1 44 THR HA 1 57 ASN HD22 5.500 . 5.500 5.194 4.118 5.590 0.090 10 0 "[ . 1 . 2]" 1
753 1 44 THR MG 1 57 ASN HD21 5.500 . 5.500 5.194 4.312 5.506 0.006 15 0 "[ . 1 . 2]" 1
754 1 44 THR MG 1 57 ASN HD22 5.500 . 5.500 4.648 3.909 5.118 . 0 0 "[ . 1 . 2]" 1
755 1 57 ASN HA 1 58 ALA H 4.000 . 4.000 2.145 2.129 2.161 . 0 0 "[ . 1 . 2]" 1
756 1 57 ASN HB3 1 58 ALA H 5.500 . 5.500 3.750 3.510 4.269 . 0 0 "[ . 1 . 2]" 1
757 1 57 ASN HB2 1 58 ALA H 5.500 . 5.500 3.489 3.294 3.923 . 0 0 "[ . 1 . 2]" 1
758 1 58 ALA H 1 58 ALA HA 3.000 . 3.000 2.877 2.846 2.913 . 0 0 "[ . 1 . 2]" 1
759 1 58 ALA H 1 61 THR HA 5.500 . 5.500 5.139 4.825 5.372 . 0 0 "[ . 1 . 2]" 1
760 1 58 ALA H 1 61 THR MG 5.500 . 5.500 3.388 2.808 4.051 . 0 0 "[ . 1 . 2]" 1
761 1 58 ALA H 1 62 LYS HA 5.500 . 5.500 4.978 4.333 5.319 . 0 0 "[ . 1 . 2]" 1
762 1 58 ALA HA 1 59 SER H 3.000 . 3.000 2.580 2.455 2.655 . 0 0 "[ . 1 . 2]" 1
763 1 58 ALA MB 1 59 SER H 4.000 . 4.000 2.269 2.087 2.477 . 0 0 "[ . 1 . 2]" 1
764 1 58 ALA MB 1 60 GLU H 5.500 . 5.500 2.465 2.175 2.625 . 0 0 "[ . 1 . 2]" 1
765 1 59 SER HA 1 60 GLU H 4.000 . 4.000 3.523 3.430 3.564 . 0 0 "[ . 1 . 2]" 1
766 1 59 SER QB 1 60 GLU H 4.000 . 4.000 2.958 2.495 3.696 . 0 0 "[ . 1 . 2]" 1
767 1 60 GLU H 1 60 GLU HB3 4.000 . 4.000 3.603 3.575 3.623 . 0 0 "[ . 1 . 2]" 1
768 1 60 GLU H 1 60 GLU HB2 4.000 . 4.000 2.398 2.351 2.441 . 0 0 "[ . 1 . 2]" 1
769 1 60 GLU H 1 60 GLU HG3 5.500 . 5.500 2.811 2.306 3.726 . 0 0 "[ . 1 . 2]" 1
770 1 60 GLU H 1 60 GLU HG2 5.500 . 5.500 3.534 2.413 3.959 . 0 0 "[ . 1 . 2]" 1
771 1 60 GLU H 1 61 THR MG 5.500 . 5.500 3.917 3.453 4.359 . 0 0 "[ . 1 . 2]" 1
772 1 58 ALA HA 1 61 THR H 5.500 . 5.500 4.487 4.389 4.677 . 0 0 "[ . 1 . 2]" 1
773 1 58 ALA MB 1 61 THR H 4.000 . 4.000 2.919 2.671 3.163 . 0 0 "[ . 1 . 2]" 1
774 1 59 SER HA 1 61 THR H 5.500 . 5.500 4.157 3.900 4.484 . 0 0 "[ . 1 . 2]" 1
775 1 59 SER QB 1 61 THR H 5.500 . 5.500 4.708 4.416 5.342 . 0 0 "[ . 1 . 2]" 1
776 1 60 GLU HA 1 61 THR H 4.000 . 4.000 3.440 3.358 3.530 . 0 0 "[ . 1 . 2]" 1
777 1 60 GLU HB3 1 61 THR H 5.500 . 5.500 3.992 3.737 4.206 . 0 0 "[ . 1 . 2]" 1
778 1 60 GLU HB2 1 61 THR H 5.500 . 5.500 3.150 2.767 3.429 . 0 0 "[ . 1 . 2]" 1
779 1 60 GLU HG3 1 61 THR H 5.500 . 5.500 4.714 4.407 5.404 . 0 0 "[ . 1 . 2]" 1
780 1 60 GLU HG2 1 61 THR H 5.500 . 5.500 5.120 4.331 5.613 0.113 6 0 "[ . 1 . 2]" 1
781 1 61 THR H 1 61 THR HA 3.000 . 3.000 2.953 2.934 2.965 . 0 0 "[ . 1 . 2]" 1
782 1 61 THR H 1 61 THR MG 4.000 . 4.000 2.651 2.340 2.986 . 0 0 "[ . 1 . 2]" 1
783 1 61 THR H 1 62 LYS HA 5.500 . 5.500 4.417 4.173 4.622 . 0 0 "[ . 1 . 2]" 1
784 1 61 THR H 1 62 LYS QB 5.500 . 5.500 4.441 4.092 4.861 . 0 0 "[ . 1 . 2]" 1
785 1 40 THR MG 1 62 LYS H 5.500 . 5.500 5.105 4.615 5.426 . 0 0 "[ . 1 . 2]" 1
786 1 41 SER HA 1 62 LYS H 5.500 . 5.500 5.114 4.663 5.601 0.101 14 0 "[ . 1 . 2]" 1
787 1 58 ALA MB 1 62 LYS H 5.500 . 5.500 4.660 4.440 4.930 . 0 0 "[ . 1 . 2]" 1
788 1 59 SER HA 1 62 LYS H 4.000 . 4.000 3.800 3.562 4.072 0.072 18 0 "[ . 1 . 2]" 1
789 1 59 SER QB 1 62 LYS H 5.500 . 5.500 5.088 4.759 5.323 . 0 0 "[ . 1 . 2]" 1
790 1 60 GLU HA 1 62 LYS H 5.500 . 5.500 3.907 3.708 4.093 . 0 0 "[ . 1 . 2]" 1
791 1 61 THR HA 1 62 LYS H 4.000 . 4.000 3.137 2.925 3.275 . 0 0 "[ . 1 . 2]" 1
792 1 61 THR HB 1 62 LYS H 5.500 . 5.500 4.390 4.200 4.503 . 0 0 "[ . 1 . 2]" 1
793 1 61 THR MG 1 62 LYS H 5.500 . 5.500 4.207 4.079 4.373 . 0 0 "[ . 1 . 2]" 1
794 1 62 LYS H 1 62 LYS HA 3.000 . 3.000 2.722 2.705 2.757 . 0 0 "[ . 1 . 2]" 1
795 1 62 LYS H 1 62 LYS HG3 5.500 . 5.500 2.875 1.502 4.351 . 0 0 "[ . 1 . 2]" 1
796 1 62 LYS H 1 62 LYS HG2 5.500 . 5.500 3.360 1.831 4.654 . 0 0 "[ . 1 . 2]" 1
797 1 62 LYS H 1 62 LYS QD 5.500 . 5.500 3.701 1.725 4.241 . 0 0 "[ . 1 . 2]" 1
798 1 62 LYS H 1 62 LYS QE 5.500 . 5.500 4.439 2.586 5.461 . 0 0 "[ . 1 . 2]" 1
799 1 24 GLN HE21 1 63 GLY H 5.500 . 5.500 4.314 3.996 4.542 . 0 0 "[ . 1 . 2]" 1
800 1 24 GLN HE22 1 63 GLY H 5.500 . 5.500 5.117 4.765 5.426 . 0 0 "[ . 1 . 2]" 1
801 1 40 THR MG 1 63 GLY H 5.500 . 5.500 4.444 4.112 4.667 . 0 0 "[ . 1 . 2]" 1
802 1 45 TRP HB2 1 63 GLY H 5.500 . 5.500 4.340 4.035 4.710 . 0 0 "[ . 1 . 2]" 1
803 1 45 TRP HD1 1 63 GLY H 5.500 . 5.500 3.491 3.304 3.710 . 0 0 "[ . 1 . 2]" 1
804 1 45 TRP HE1 1 63 GLY H 5.500 . 5.500 4.585 4.272 4.954 . 0 0 "[ . 1 . 2]" 1
805 1 57 ASN HA 1 63 GLY H 5.500 . 5.500 5.074 3.983 5.605 0.105 1 0 "[ . 1 . 2]" 1
806 1 62 LYS HA 1 63 GLY H 3.000 . 3.000 2.143 2.133 2.152 . 0 0 "[ . 1 . 2]" 1
807 1 62 LYS HB3 1 63 GLY H 5.500 . 5.500 3.720 3.350 4.192 . 0 0 "[ . 1 . 2]" 1
808 1 62 LYS HB2 1 63 GLY H 5.500 . 5.500 4.359 3.485 4.578 . 0 0 "[ . 1 . 2]" 1
809 1 62 LYS QG 1 63 GLY H 5.500 . 5.500 3.956 2.888 4.701 . 0 0 "[ . 1 . 2]" 1
810 1 24 GLN HA 1 64 LEU H 5.500 . 5.500 5.119 5.053 5.230 . 0 0 "[ . 1 . 2]" 1
811 1 24 GLN QG 1 64 LEU H 5.500 . 5.500 5.067 4.968 5.159 . 0 0 "[ . 1 . 2]" 1
812 1 24 GLN HE21 1 64 LEU H 5.500 . 5.500 4.477 4.224 4.672 . 0 0 "[ . 1 . 2]" 1
813 1 24 GLN HE22 1 64 LEU H 5.500 . 5.500 5.324 5.123 5.457 . 0 0 "[ . 1 . 2]" 1
814 1 25 PHE HE1 1 64 LEU H 5.500 . 5.500 4.720 4.501 4.977 . 0 0 "[ . 1 . 2]" 1
815 1 45 TRP HB2 1 64 LEU H 5.500 . 5.500 4.522 4.214 4.919 . 0 0 "[ . 1 . 2]" 1
816 1 45 TRP HD1 1 64 LEU H 5.500 . 5.500 4.880 4.711 5.138 . 0 0 "[ . 1 . 2]" 1
817 1 57 ASN HD22 1 64 LEU H 5.500 . 5.500 3.123 2.513 4.051 . 0 0 "[ . 1 . 2]" 1
818 1 61 THR HB 1 64 LEU H 5.500 . 5.500 4.873 4.672 5.148 . 0 0 "[ . 1 . 2]" 1
819 1 62 LYS HA 1 64 LEU H 5.500 . 5.500 3.852 3.701 4.108 . 0 0 "[ . 1 . 2]" 1
820 1 63 GLY HA3 1 64 LEU H 5.500 . 5.500 3.538 3.498 3.577 . 0 0 "[ . 1 . 2]" 1
821 1 63 GLY HA2 1 64 LEU H 5.500 . 5.500 2.887 2.729 2.996 . 0 0 "[ . 1 . 2]" 1
822 1 64 LEU H 1 64 LEU HG 5.500 . 5.500 4.561 4.425 4.920 . 0 0 "[ . 1 . 2]" 1
823 1 64 LEU H 1 64 LEU MD1 5.500 . 5.500 4.254 4.113 4.568 . 0 0 "[ . 1 . 2]" 1
824 1 64 LEU H 1 64 LEU MD2 5.500 . 5.500 4.345 3.913 4.542 . 0 0 "[ . 1 . 2]" 1
825 1 64 LEU H 1 65 VAL MG2 5.500 . 5.500 3.887 3.728 4.008 . 0 0 "[ . 1 . 2]" 1
826 1 22 SER QB 1 65 VAL H 5.500 . 5.500 4.151 3.270 5.306 . 0 0 "[ . 1 . 2]" 1
827 1 24 GLN HA 1 65 VAL H 4.000 . 4.000 3.526 3.351 3.779 . 0 0 "[ . 1 . 2]" 1
828 1 25 PHE HE2 1 65 VAL H 5.500 . 5.500 4.991 4.639 5.379 . 0 0 "[ . 1 . 2]" 1
829 1 25 PHE HE1 1 65 VAL H 5.500 . 5.500 5.084 4.837 5.347 . 0 0 "[ . 1 . 2]" 1
830 1 55 VAL MG2 1 65 VAL H 5.500 . 5.500 4.991 4.606 5.516 0.016 12 0 "[ . 1 . 2]" 1
831 1 64 LEU HA 1 65 VAL H 4.000 . 4.000 2.147 2.130 2.165 . 0 0 "[ . 1 . 2]" 1
832 1 64 LEU HB3 1 65 VAL H 5.500 . 5.500 4.178 4.092 4.288 . 0 0 "[ . 1 . 2]" 1
833 1 64 LEU HB2 1 65 VAL H 5.500 . 5.500 4.405 4.309 4.544 . 0 0 "[ . 1 . 2]" 1
834 1 64 LEU HG 1 65 VAL H 5.500 . 5.500 3.364 2.565 4.821 . 0 0 "[ . 1 . 2]" 1
835 1 64 LEU MD1 1 65 VAL H 5.500 . 5.500 2.823 2.037 4.664 . 0 0 "[ . 1 . 2]" 1
836 1 64 LEU MD2 1 65 VAL H 5.500 . 5.500 3.999 2.134 4.621 . 0 0 "[ . 1 . 2]" 1
837 1 65 VAL H 1 65 VAL HB 4.000 . 4.000 2.567 2.519 2.619 . 0 0 "[ . 1 . 2]" 1
838 1 65 VAL H 1 65 VAL MG2 4.000 . 4.000 3.055 2.999 3.106 . 0 0 "[ . 1 . 2]" 1
839 1 55 VAL HB 1 65 VAL HA 5.500 . 5.500 4.320 3.424 5.468 . 0 0 "[ . 1 . 2]" 1
840 1 53 ALA MB 1 66 THR H 5.500 . 5.500 4.657 4.179 4.918 . 0 0 "[ . 1 . 2]" 1
841 1 55 VAL HA 1 66 THR H 4.000 . 4.000 3.352 3.112 3.571 . 0 0 "[ . 1 . 2]" 1
842 1 55 VAL MG2 1 66 THR H 5.500 . 5.500 4.527 3.928 5.007 . 0 0 "[ . 1 . 2]" 1
843 1 65 VAL HA 1 66 THR H 3.000 . 3.000 2.172 2.155 2.192 . 0 0 "[ . 1 . 2]" 1
844 1 65 VAL HB 1 66 THR H 5.500 . 5.500 4.210 4.149 4.246 . 0 0 "[ . 1 . 2]" 1
845 1 65 VAL MG1 1 66 THR H 4.000 . 4.000 2.297 2.181 2.366 . 0 0 "[ . 1 . 2]" 1
846 1 65 VAL MG2 1 66 THR H 5.500 . 5.500 3.750 3.692 3.806 . 0 0 "[ . 1 . 2]" 1
847 1 66 THR H 1 66 THR HB 4.000 . 4.000 2.789 2.495 3.750 . 0 0 "[ . 1 . 2]" 1
848 1 66 THR H 1 66 THR MG 4.000 . 4.000 3.542 1.791 3.865 . 0 0 "[ . 1 . 2]" 1
849 1 66 THR H 1 67 GLY HA2 5.500 . 5.500 4.918 4.830 5.029 . 0 0 "[ . 1 . 2]" 1
850 1 17 ILE MD 1 67 GLY H 5.500 . 5.500 4.175 2.682 5.293 . 0 0 "[ . 1 . 2]" 1
851 1 66 THR HA 1 67 GLY H 5.500 . 5.500 2.161 2.147 2.177 . 0 0 "[ . 1 . 2]" 1
852 1 66 THR MG 1 67 GLY H 5.500 . 5.500 2.869 2.340 4.163 . 0 0 "[ . 1 . 2]" 1
853 1 52 GLN HA 1 68 ILE H 5.500 . 5.500 5.195 4.781 5.505 0.005 6 0 "[ . 1 . 2]" 1
854 1 53 ALA HA 1 68 ILE H 5.500 . 5.500 2.829 2.323 3.298 . 0 0 "[ . 1 . 2]" 1
855 1 67 GLY HA3 1 68 ILE H 5.500 . 5.500 3.328 3.118 3.425 . 0 0 "[ . 1 . 2]" 1
856 1 67 GLY HA2 1 68 ILE H 5.500 . 5.500 2.170 2.145 2.202 . 0 0 "[ . 1 . 2]" 1
857 1 68 ILE H 1 68 ILE MD 5.500 . 5.500 3.397 2.712 3.626 . 0 0 "[ . 1 . 2]" 1
858 1 68 ILE H 1 69 ALA HA 5.500 . 5.500 5.001 4.593 5.084 . 0 0 "[ . 1 . 2]" 1
859 1 68 ILE H 1 69 ALA MB 5.500 . 5.500 4.791 4.270 4.875 . 0 0 "[ . 1 . 2]" 1
860 1 52 GLN HA 1 69 ALA H 5.500 . 5.500 4.666 4.061 4.895 . 0 0 "[ . 1 . 2]" 1
861 1 53 ALA HA 1 69 ALA H 5.500 . 5.500 4.573 3.854 4.996 . 0 0 "[ . 1 . 2]" 1
862 1 67 GLY HA2 1 69 ALA H 5.500 . 5.500 3.901 3.740 4.577 . 0 0 "[ . 1 . 2]" 1
863 1 68 ILE HA 1 69 ALA H 5.500 . 5.500 3.559 3.543 3.581 . 0 0 "[ . 1 . 2]" 1
864 1 52 GLN HB3 1 70 SER H 5.500 . 5.500 5.451 4.622 5.590 0.090 12 0 "[ . 1 . 2]" 1
865 1 69 ALA HA 1 70 SER H 3.000 . 3.000 2.171 2.146 2.288 . 0 0 "[ . 1 . 2]" 1
866 1 69 ALA MB 1 70 SER H 4.000 . 4.000 3.185 2.767 3.301 . 0 0 "[ . 1 . 2]" 1
867 1 70 SER H 1 70 SER HA 3.000 . 3.000 2.875 2.726 2.945 . 0 0 "[ . 1 . 2]" 1
868 1 69 ALA MB 1 70 SER HA 5.500 . 5.500 3.912 3.725 4.268 . 0 0 "[ . 1 . 2]" 1
869 1 70 SER HA 1 71 GLY H 4.000 . 4.000 2.524 2.405 3.304 . 0 0 "[ . 1 . 2]" 1
870 1 70 SER QB 1 71 GLY H 4.000 . 4.000 2.705 2.122 3.820 . 0 0 "[ . 1 . 2]" 1
871 1 71 GLY H 1 71 GLY HA3 3.000 . 3.000 2.452 2.367 2.948 . 0 0 "[ . 1 . 2]" 1
872 1 71 GLY H 1 71 GLY HA2 3.000 . 3.000 2.897 2.326 2.957 . 0 0 "[ . 1 . 2]" 1
873 1 71 GLY HA3 1 72 ASN H 4.000 . 4.000 2.565 2.187 2.745 . 0 0 "[ . 1 . 2]" 1
874 1 71 GLY HA2 1 72 ASN H 4.000 . 4.000 3.555 3.114 3.593 . 0 0 "[ . 1 . 2]" 1
875 1 48 SER HB3 1 74 THR H 5.500 . 5.500 4.204 3.642 4.826 . 0 0 "[ . 1 . 2]" 1
876 1 48 SER HB2 1 74 THR H 5.500 . 5.500 4.938 4.401 5.539 0.039 9 0 "[ . 1 . 2]" 1
877 1 73 PRO HB3 1 74 THR H 5.500 . 5.500 3.569 3.295 3.846 . 0 0 "[ . 1 . 2]" 1
878 1 73 PRO HB2 1 74 THR H 5.500 . 5.500 3.150 2.864 3.653 . 0 0 "[ . 1 . 2]" 1
879 1 73 PRO HG2 1 74 THR H 5.500 . 5.500 4.961 4.578 5.542 0.042 9 0 "[ . 1 . 2]" 1
880 1 74 THR H 1 74 THR HB 4.000 . 4.000 2.597 2.497 2.794 . 0 0 "[ . 1 . 2]" 1
881 1 74 THR H 1 75 ILE HA 5.500 . 5.500 4.867 4.748 5.011 . 0 0 "[ . 1 . 2]" 1
882 1 45 TRP HA 1 76 ILE H 5.500 . 5.500 4.740 4.411 5.086 . 0 0 "[ . 1 . 2]" 1
883 1 46 SER HA 1 76 ILE H 5.500 . 5.500 4.984 4.806 5.145 . 0 0 "[ . 1 . 2]" 1
884 1 46 SER QB 1 76 ILE H 5.500 . 5.500 4.184 3.496 4.805 . 0 0 "[ . 1 . 2]" 1
885 1 47 SER HA 1 76 ILE H 4.000 . 4.000 3.440 3.178 3.767 . 0 0 "[ . 1 . 2]" 1
886 1 74 THR MG 1 76 ILE H 5.500 . 5.500 4.262 3.983 4.522 . 0 0 "[ . 1 . 2]" 1
887 1 75 ILE HA 1 76 ILE H 5.500 . 5.500 2.136 2.124 2.151 . 0 0 "[ . 1 . 2]" 1
888 1 75 ILE HB 1 76 ILE H 5.500 . 5.500 4.171 4.060 4.359 . 0 0 "[ . 1 . 2]" 1
889 1 76 ILE H 1 76 ILE MD 5.500 . 5.500 3.614 2.062 3.924 . 0 0 "[ . 1 . 2]" 1
890 1 76 ILE H 1 77 ALA HA 5.500 . 5.500 4.901 4.804 4.992 . 0 0 "[ . 1 . 2]" 1
891 1 76 ILE H 1 85 ASN HA 5.500 . 5.500 5.248 5.086 5.520 0.020 3 0 "[ . 1 . 2]" 1
892 1 76 ILE HA 1 85 ASN HA 4.000 . 4.000 2.482 2.330 2.684 . 0 0 "[ . 1 . 2]" 1
893 1 76 ILE HA 1 77 ALA H 3.000 . 3.000 2.158 2.139 2.169 . 0 0 "[ . 1 . 2]" 1
894 1 76 ILE HB 1 77 ALA H 5.500 . 5.500 4.230 4.132 4.308 . 0 0 "[ . 1 . 2]" 1
895 1 76 ILE QG 1 77 ALA H 5.500 . 5.500 4.251 4.040 4.786 . 0 0 "[ . 1 . 2]" 1
896 1 76 ILE MG 1 77 ALA H 5.500 . 5.500 2.516 2.361 2.802 . 0 0 "[ . 1 . 2]" 1
897 1 77 ALA H 1 78 THR HA 5.500 . 5.500 5.021 4.950 5.095 . 0 0 "[ . 1 . 2]" 1
898 1 77 ALA H 1 83 SER HA 5.500 . 5.500 5.299 5.108 5.397 . 0 0 "[ . 1 . 2]" 1
899 1 77 ALA H 1 84 GLY HA3 5.500 . 5.500 4.550 4.267 4.778 . 0 0 "[ . 1 . 2]" 1
900 1 77 ALA H 1 84 GLY HA2 5.500 . 5.500 5.160 4.972 5.322 . 0 0 "[ . 1 . 2]" 1
901 1 77 ALA H 1 85 ASN HA 4.000 . 4.000 3.283 3.112 3.472 . 0 0 "[ . 1 . 2]" 1
902 1 77 ALA H 1 85 ASN HB3 5.500 . 5.500 5.527 5.363 5.602 0.102 3 0 "[ . 1 . 2]" 1
903 1 45 TRP HE3 1 77 ALA MB 5.500 . 5.500 3.524 3.251 3.675 . 0 0 "[ . 1 . 2]" 1
904 1 45 TRP HH2 1 77 ALA MB 5.500 . 5.500 4.239 4.175 4.402 . 0 0 "[ . 1 . 2]" 1
905 1 45 TRP HZ3 1 77 ALA MB 5.500 . 5.500 3.686 3.551 3.784 . 0 0 "[ . 1 . 2]" 1
906 1 43 VAL HA 1 78 THR H 5.500 . 5.500 4.332 4.101 4.685 . 0 0 "[ . 1 . 2]" 1
907 1 43 VAL HB 1 78 THR H 5.500 . 5.500 3.517 3.245 3.955 . 0 0 "[ . 1 . 2]" 1
908 1 43 VAL MG1 1 78 THR H 5.500 . 5.500 4.783 4.480 5.181 . 0 0 "[ . 1 . 2]" 1
909 1 43 VAL MG2 1 78 THR H 5.500 . 5.500 4.428 4.205 4.721 . 0 0 "[ . 1 . 2]" 1
910 1 44 THR HA 1 78 THR H 5.500 . 5.500 4.753 4.533 5.076 . 0 0 "[ . 1 . 2]" 1
911 1 44 THR HB 1 78 THR H 5.500 . 5.500 3.424 3.136 3.890 . 0 0 "[ . 1 . 2]" 1
912 1 44 THR MG 1 78 THR H 5.500 . 5.500 4.333 3.956 4.532 . 0 0 "[ . 1 . 2]" 1
913 1 45 TRP HA 1 78 THR H 4.000 . 4.000 4.081 3.996 4.162 0.162 3 0 "[ . 1 . 2]" 1
914 1 76 ILE MG 1 78 THR H 5.500 . 5.500 4.325 4.181 4.511 . 0 0 "[ . 1 . 2]" 1
915 1 77 ALA MB 1 78 THR H 4.000 . 4.000 3.104 2.992 3.290 . 0 0 "[ . 1 . 2]" 1
916 1 78 THR H 1 78 THR HB 4.000 . 4.000 2.579 2.505 2.651 . 0 0 "[ . 1 . 2]" 1
917 1 77 ALA HA 1 78 THR H 3.000 . 3.000 2.168 2.144 2.193 . 0 0 "[ . 1 . 2]" 1
918 1 78 THR H 1 83 SER HA 5.500 . 5.500 5.006 4.879 5.150 . 0 0 "[ . 1 . 2]" 1
919 1 8 ILE MD 1 79 TYR H 5.500 . 5.500 4.959 4.296 5.517 0.017 19 0 "[ . 1 . 2]" 1
920 1 43 VAL HA 1 79 TYR H 5.500 . 5.500 4.934 4.785 5.135 . 0 0 "[ . 1 . 2]" 1
921 1 43 VAL MG1 1 79 TYR H 5.500 . 5.500 4.611 4.458 4.739 . 0 0 "[ . 1 . 2]" 1
922 1 78 THR HA 1 79 TYR H 3.000 . 3.000 2.154 2.125 2.178 . 0 0 "[ . 1 . 2]" 1
923 1 78 THR HB 1 79 TYR H 5.500 . 5.500 4.194 4.138 4.293 . 0 0 "[ . 1 . 2]" 1
924 1 78 THR MG 1 79 TYR H 4.000 . 4.000 2.482 2.293 2.702 . 0 0 "[ . 1 . 2]" 1
925 1 79 TYR H 1 79 TYR HB3 4.000 . 4.000 2.679 2.579 2.740 . 0 0 "[ . 1 . 2]" 1
926 1 79 TYR H 1 79 TYR HB2 4.000 . 4.000 3.322 3.226 3.415 . 0 0 "[ . 1 . 2]" 1
927 1 79 TYR H 1 79 TYR HD1 5.500 . 5.500 5.115 5.033 5.215 . 0 0 "[ . 1 . 2]" 1
928 1 79 TYR H 1 79 TYR HD2 5.500 . 5.500 4.540 4.417 4.679 . 0 0 "[ . 1 . 2]" 1
929 1 79 TYR H 1 82 VAL HB 5.500 . 5.500 4.582 4.409 4.767 . 0 0 "[ . 1 . 2]" 1
930 1 79 TYR H 1 82 VAL MG1 5.500 . 5.500 4.297 4.121 4.446 . 0 0 "[ . 1 . 2]" 1
931 1 79 TYR H 1 83 SER HA 4.000 . 4.000 2.687 2.481 2.891 . 0 0 "[ . 1 . 2]" 1
932 1 79 TYR H 1 83 SER HB3 5.500 . 5.500 3.157 2.945 3.338 . 0 0 "[ . 1 . 2]" 1
933 1 79 TYR H 1 83 SER HB2 5.500 . 5.500 4.111 3.868 4.326 . 0 0 "[ . 1 . 2]" 1
934 1 79 TYR HA 1 79 TYR HE1 5.500 . 5.500 4.730 4.632 4.843 . 0 0 "[ . 1 . 2]" 1
935 1 43 VAL MG1 1 79 TYR HD1 5.500 . 5.500 2.628 2.311 3.045 . 0 0 "[ . 1 . 2]" 1
936 1 5 LEU HG 1 79 TYR HE2 5.500 . 5.500 5.129 3.059 5.538 0.038 1 0 "[ . 1 . 2]" 1
937 1 79 TYR HA 1 80 GLY H 4.000 . 4.000 2.193 2.130 2.282 . 0 0 "[ . 1 . 2]" 1
938 1 79 TYR HD1 1 80 GLY H 5.500 . 5.500 3.867 3.372 4.365 . 0 0 "[ . 1 . 2]" 1
939 1 79 TYR HD2 1 80 GLY H 5.500 . 5.500 5.073 4.849 5.338 . 0 0 "[ . 1 . 2]" 1
940 1 78 THR HA 1 82 VAL H 5.500 . 5.500 5.588 5.522 5.685 0.185 4 0 "[ . 1 . 2]" 1
941 1 78 THR MG 1 82 VAL H 5.500 . 5.500 4.357 4.092 4.585 . 0 0 "[ . 1 . 2]" 1
942 1 79 TYR HA 1 82 VAL H 5.500 . 5.500 5.007 4.842 5.184 . 0 0 "[ . 1 . 2]" 1
943 1 79 TYR HB3 1 82 VAL H 5.500 . 5.500 4.221 3.948 4.502 . 0 0 "[ . 1 . 2]" 1
944 1 80 GLY HA3 1 82 VAL H 5.500 . 5.500 3.388 3.324 3.446 . 0 0 "[ . 1 . 2]" 1
945 1 80 GLY HA2 1 82 VAL H 5.500 . 5.500 4.355 4.302 4.432 . 0 0 "[ . 1 . 2]" 1
946 1 81 SER HA 1 82 VAL H 4.000 . 4.000 3.218 3.179 3.264 . 0 0 "[ . 1 . 2]" 1
947 1 81 SER HB3 1 82 VAL H 5.500 . 5.500 4.385 4.286 4.465 . 0 0 "[ . 1 . 2]" 1
948 1 81 SER HB2 1 82 VAL H 5.500 . 5.500 4.403 4.353 4.485 . 0 0 "[ . 1 . 2]" 1
949 1 82 VAL H 1 82 VAL HB 4.000 . 4.000 2.561 2.525 2.597 . 0 0 "[ . 1 . 2]" 1
950 1 82 VAL H 1 82 VAL MG1 4.000 . 4.000 3.776 3.755 3.796 . 0 0 "[ . 1 . 2]" 1
951 1 82 VAL H 1 82 VAL MG2 4.000 . 4.000 2.997 2.930 3.058 . 0 0 "[ . 1 . 2]" 1
952 1 82 VAL H 1 83 SER HB3 5.500 . 5.500 4.953 4.726 5.115 . 0 0 "[ . 1 . 2]" 1
953 1 8 ILE MD 1 83 SER H 5.500 . 5.500 4.621 3.744 5.157 . 0 0 "[ . 1 . 2]" 1
954 1 78 THR HA 1 83 SER H 5.500 . 5.500 4.909 4.763 5.106 . 0 0 "[ . 1 . 2]" 1
955 1 78 THR MG 1 83 SER H 5.500 . 5.500 4.934 4.643 5.255 . 0 0 "[ . 1 . 2]" 1
956 1 82 VAL HA 1 83 SER H 3.000 . 3.000 2.171 2.158 2.186 . 0 0 "[ . 1 . 2]" 1
957 1 82 VAL HB 1 83 SER H 5.500 . 5.500 4.237 4.185 4.292 . 0 0 "[ . 1 . 2]" 1
958 1 82 VAL MG1 1 83 SER H 4.000 . 4.000 2.335 2.211 2.488 . 0 0 "[ . 1 . 2]" 1
959 1 82 VAL MG2 1 83 SER H 4.000 . 4.000 3.803 3.733 3.887 . 0 0 "[ . 1 . 2]" 1
960 1 83 SER H 1 83 SER HB3 4.000 . 4.000 3.250 3.098 3.379 . 0 0 "[ . 1 . 2]" 1
961 1 83 SER H 1 83 SER HB2 4.000 . 4.000 3.852 3.790 3.930 . 0 0 "[ . 1 . 2]" 1
962 1 83 SER H 1 84 GLY HA2 5.500 . 5.500 4.820 4.769 4.869 . 0 0 "[ . 1 . 2]" 1
963 1 8 ILE MD 1 84 GLY H 5.500 . 5.500 3.345 3.081 3.474 . 0 0 "[ . 1 . 2]" 1
964 1 8 ILE QG 1 84 GLY H 5.500 . 5.500 5.431 4.909 5.572 0.072 8 0 "[ . 1 . 2]" 1
965 1 76 ILE HA 1 84 GLY H 5.500 . 5.500 5.112 4.833 5.399 . 0 0 "[ . 1 . 2]" 1
966 1 76 ILE MG 1 84 GLY H 4.000 . 4.000 3.730 3.469 3.960 . 0 0 "[ . 1 . 2]" 1
967 1 77 ALA HA 1 84 GLY H 5.500 . 5.500 4.923 4.673 5.135 . 0 0 "[ . 1 . 2]" 1
968 1 77 ALA MB 1 84 GLY H 5.500 . 5.500 3.257 2.957 3.495 . 0 0 "[ . 1 . 2]" 1
969 1 78 THR HA 1 84 GLY H 4.000 . 4.000 3.626 3.365 3.843 . 0 0 "[ . 1 . 2]" 1
970 1 78 THR MG 1 84 GLY H 5.500 . 5.500 5.241 4.995 5.514 0.014 14 0 "[ . 1 . 2]" 1
971 1 82 VAL MG1 1 84 GLY H 5.500 . 5.500 4.571 4.471 4.660 . 0 0 "[ . 1 . 2]" 1
972 1 83 SER HA 1 84 GLY H 3.000 . 3.000 2.286 2.246 2.320 . 0 0 "[ . 1 . 2]" 1
973 1 83 SER HB3 1 84 GLY H 4.000 . 4.000 3.916 3.788 4.013 0.013 12 0 "[ . 1 . 2]" 1
974 1 83 SER HB2 1 84 GLY H 4.000 . 4.000 2.715 2.600 2.823 . 0 0 "[ . 1 . 2]" 1
975 1 8 ILE MD 1 85 ASN H 5.500 . 5.500 5.051 4.370 5.527 0.027 6 0 "[ . 1 . 2]" 1
976 1 10 ILE MD 1 85 ASN H 5.500 . 5.500 5.395 5.019 5.592 0.092 19 0 "[ . 1 . 2]" 1
977 1 76 ILE HA 1 85 ASN H 5.500 . 5.500 5.200 5.060 5.471 . 0 0 "[ . 1 . 2]" 1
978 1 84 GLY HA3 1 85 ASN H 4.000 . 4.000 3.021 2.877 3.065 . 0 0 "[ . 1 . 2]" 1
979 1 84 GLY HA2 1 85 ASN H 3.000 . 3.000 2.248 2.227 2.329 . 0 0 "[ . 1 . 2]" 1
980 1 85 ASN H 1 85 ASN HB3 4.000 . 4.000 3.743 3.684 3.817 . 0 0 "[ . 1 . 2]" 1
981 1 85 ASN H 1 85 ASN HB2 4.000 . 4.000 2.608 2.477 2.757 . 0 0 "[ . 1 . 2]" 1
982 1 85 ASN H 1 85 ASN HD21 5.500 . 5.500 4.256 2.510 5.074 . 0 0 "[ . 1 . 2]" 1
983 1 85 ASN H 1 85 ASN HD22 5.500 . 5.500 4.679 3.923 5.132 . 0 0 "[ . 1 . 2]" 1
984 1 85 ASN H 1 86 THR HA 5.500 . 5.500 5.059 4.887 5.144 . 0 0 "[ . 1 . 2]" 1
985 1 74 THR MG 1 85 ASN HD21 5.500 . 5.500 4.506 3.909 5.560 0.060 18 0 "[ . 1 . 2]" 1
986 1 76 ILE HA 1 85 ASN HD21 5.500 . 5.500 4.496 2.422 5.554 0.054 11 0 "[ . 1 . 2]" 1
987 1 74 THR MG 1 85 ASN HD22 5.500 . 5.500 5.300 4.812 5.642 0.142 3 0 "[ . 1 . 2]" 1
988 1 76 ILE HA 1 85 ASN HD22 5.500 . 5.500 4.780 3.738 5.556 0.056 12 0 "[ . 1 . 2]" 1
989 1 85 ASN HA 1 85 ASN HD22 5.500 . 5.500 4.184 3.402 4.590 . 0 0 "[ . 1 . 2]" 1
990 1 10 ILE MD 1 86 THR H 5.500 . 5.500 5.296 4.894 5.583 0.083 18 0 "[ . 1 . 2]" 1
991 1 74 THR MG 1 86 THR H 5.500 . 5.500 3.269 3.034 3.746 . 0 0 "[ . 1 . 2]" 1
992 1 75 ILE HB 1 86 THR H 5.500 . 5.500 4.441 3.887 4.837 . 0 0 "[ . 1 . 2]" 1
993 1 76 ILE HA 1 86 THR H 5.500 . 5.500 3.356 3.056 3.978 . 0 0 "[ . 1 . 2]" 1
994 1 76 ILE QG 1 86 THR H 5.500 . 5.500 3.916 3.347 4.982 . 0 0 "[ . 1 . 2]" 1
995 1 76 ILE MD 1 86 THR H 5.500 . 5.500 4.759 2.710 5.514 0.014 18 0 "[ . 1 . 2]" 1
996 1 85 ASN HA 1 86 THR H 3.000 . 3.000 2.201 2.142 2.276 . 0 0 "[ . 1 . 2]" 1
997 1 85 ASN HB3 1 86 THR H 4.000 . 4.000 2.991 2.701 3.251 . 0 0 "[ . 1 . 2]" 1
998 1 85 ASN HB2 1 86 THR H 4.000 . 4.000 3.984 3.802 4.132 0.132 18 0 "[ . 1 . 2]" 1
999 1 85 ASN HD21 1 86 THR H 5.500 . 5.500 4.969 3.879 5.577 0.077 19 0 "[ . 1 . 2]" 1
1000 1 86 THR H 1 87 ILE HA 5.500 . 5.500 4.751 4.655 4.835 . 0 0 "[ . 1 . 2]" 1
1001 1 74 THR MG 1 87 ILE H 5.500 . 5.500 4.667 4.090 5.040 . 0 0 "[ . 1 . 2]" 1
1002 1 86 THR HA 1 87 ILE H 3.000 . 3.000 2.333 2.234 2.457 . 0 0 "[ . 1 . 2]" 1
1003 1 86 THR HB 1 87 ILE H 4.000 . 4.000 3.199 2.386 3.999 . 0 0 "[ . 1 . 2]" 1
1004 1 86 THR MG 1 87 ILE H 5.500 . 5.500 3.457 1.824 4.056 . 0 0 "[ . 1 . 2]" 1
1005 1 87 ILE H 1 87 ILE HB 4.000 . 4.000 2.545 2.447 2.659 . 0 0 "[ . 1 . 2]" 1
1006 1 87 ILE H 1 87 ILE MD 5.500 . 5.500 3.438 2.877 3.747 . 0 0 "[ . 1 . 2]" 1
1007 1 87 ILE H 1 87 ILE HG13 5.500 . 5.500 3.005 2.495 3.938 . 0 0 "[ . 1 . 2]" 1
1008 1 87 ILE H 1 87 ILE HG12 5.500 . 5.500 3.330 2.171 3.954 . 0 0 "[ . 1 . 2]" 1
1009 1 87 ILE H 1 88 LEU HA 5.500 . 5.500 5.115 5.035 5.194 . 0 0 "[ . 1 . 2]" 1
1010 1 87 ILE HA 1 88 LEU H 3.000 . 3.000 2.131 2.113 2.143 . 0 0 "[ . 1 . 2]" 1
1011 1 88 LEU H 1 89 THR HA 5.500 . 5.500 4.953 4.867 5.036 . 0 0 "[ . 1 . 2]" 1
1012 1 74 THR HB 1 88 LEU H 5.500 . 5.500 5.562 5.402 5.665 0.165 1 0 "[ . 1 . 2]" 1
1013 1 16 ASN HA 1 89 THR H 4.000 . 4.000 3.916 3.607 4.169 0.169 14 0 "[ . 1 . 2]" 1
1014 1 88 LEU HA 1 89 THR H 3.000 . 3.000 2.256 2.201 2.333 . 0 0 "[ . 1 . 2]" 1
1015 1 89 THR H 1 89 THR HA 3.000 . 3.000 2.962 2.938 2.967 . 0 0 "[ . 1 . 2]" 1
1016 1 89 THR H 1 89 THR HB 4.000 . 4.000 2.592 2.435 2.727 . 0 0 "[ . 1 . 2]" 1
1017 1 89 THR H 1 89 THR MG 4.000 . 4.000 3.826 3.742 3.884 . 0 0 "[ . 1 . 2]" 1
1018 1 89 THR H 1 90 VAL HA 5.500 . 5.500 5.051 4.925 5.267 . 0 0 "[ . 1 . 2]" 1
1019 1 89 THR HA 1 90 VAL H 3.000 . 3.000 2.185 2.137 2.234 . 0 0 "[ . 1 . 2]" 1
1020 1 89 THR HB 1 90 VAL H 5.500 . 5.500 4.053 3.887 4.183 . 0 0 "[ . 1 . 2]" 1
1021 1 89 THR MG 1 90 VAL H 5.500 . 5.500 2.227 1.902 2.583 . 0 0 "[ . 1 . 2]" 1
1022 1 90 VAL H 1 90 VAL HB 4.000 . 4.000 2.392 2.302 2.454 . 0 0 "[ . 1 . 2]" 1
1023 1 90 VAL H 1 90 VAL MG1 4.000 . 4.000 3.736 3.689 3.757 . 0 0 "[ . 1 . 2]" 1
1024 1 90 VAL H 1 90 VAL MG2 4.000 . 4.000 2.509 2.302 2.719 . 0 0 "[ . 1 . 2]" 1
1025 1 90 VAL H 1 91 ASN HA 5.500 . 5.500 5.338 5.251 5.390 . 0 0 "[ . 1 . 2]" 1
1026 1 18 ASN HA 1 91 ASN H 5.500 . 5.500 5.034 4.114 5.557 0.057 5 0 "[ . 1 . 2]" 1
1027 1 90 VAL HA 1 91 ASN H 4.000 . 4.000 2.201 2.169 2.234 . 0 0 "[ . 1 . 2]" 1
1028 1 90 VAL HB 1 91 ASN H 5.500 . 5.500 4.439 4.265 4.509 . 0 0 "[ . 1 . 2]" 1
1029 1 90 VAL MG1 1 91 ASN H 5.500 . 5.500 3.004 2.550 3.218 . 0 0 "[ . 1 . 2]" 1
1030 1 90 VAL MG2 1 91 ASN H 5.500 . 5.500 4.130 3.949 4.205 . 0 0 "[ . 1 . 2]" 1
1031 1 91 ASN HA 1 92 LYS H 3.000 . 3.000 2.214 2.138 2.315 . 0 0 "[ . 1 . 2]" 1
1032 1 91 ASN QB 1 92 LYS H 4.000 . 4.000 3.203 2.588 3.778 . 0 0 "[ . 1 . 2]" 1
1033 1 92 LYS HA 1 93 THR H 4.000 . 4.000 2.204 2.140 2.307 . 0 0 "[ . 1 . 2]" 1
1034 1 93 THR H 1 93 THR HB 4.000 . 4.000 2.917 2.411 3.699 . 0 0 "[ . 1 . 2]" 1
1035 1 93 THR HA 1 94 ASP H 4.000 . 4.000 3.183 2.149 3.573 . 0 0 "[ . 1 . 2]" 1
1036 1 93 THR HB 1 94 ASP H 5.500 . 5.500 3.183 1.810 4.458 . 0 0 "[ . 1 . 2]" 1
1037 1 93 THR MG 1 94 ASP H 5.500 . 5.500 3.301 1.923 4.320 . 0 0 "[ . 1 . 2]" 1
1038 1 94 ASP HA 1 95 THR H 4.000 . 4.000 2.648 2.144 3.572 . 0 0 "[ . 1 . 2]" 1
1039 1 94 ASP QB 1 95 THR H 5.500 . 5.500 3.447 2.111 4.031 . 0 0 "[ . 1 . 2]" 1
1040 1 95 THR H 1 95 THR MG 4.000 . 4.000 2.988 1.709 4.055 0.055 10 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 78
_Distance_constraint_stats_list.Viol_count 290
_Distance_constraint_stats_list.Viol_total 447.815
_Distance_constraint_stats_list.Viol_max 0.278
_Distance_constraint_stats_list.Viol_rms 0.0407
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0144
_Distance_constraint_stats_list.Viol_average_violations_only 0.0772
_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 7 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 THR 3.747 0.260 9 0 "[ . 1 . 2]"
1 17 ILE 4.194 0.269 12 0 "[ . 1 . 2]"
1 21 VAL 2.645 0.194 1 0 "[ . 1 . 2]"
1 23 LYS 1.466 0.117 13 0 "[ . 1 . 2]"
1 25 PHE 4.261 0.278 8 0 "[ . 1 . 2]"
1 26 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 TYR 1.517 0.142 5 0 "[ . 1 . 2]"
1 35 THR 1.517 0.142 5 0 "[ . 1 . 2]"
1 37 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 THR 0.336 0.058 7 0 "[ . 1 . 2]"
1 43 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 TRP 0.336 0.058 7 0 "[ . 1 . 2]"
1 46 SER 0.602 0.091 12 0 "[ . 1 . 2]"
1 49 ASN 0.573 0.122 8 0 "[ . 1 . 2]"
1 50 GLN 0.756 0.072 4 0 "[ . 1 . 2]"
1 52 GLN 0.802 0.122 8 0 "[ . 1 . 2]"
1 53 ALA 0.756 0.072 4 0 "[ . 1 . 2]"
1 54 LYS 0.293 0.046 9 0 "[ . 1 . 2]"
1 56 SER 1.289 0.155 13 0 "[ . 1 . 2]"
1 63 GLY 4.261 0.278 8 0 "[ . 1 . 2]"
1 64 LEU 1.289 0.155 13 0 "[ . 1 . 2]"
1 65 VAL 1.466 0.117 13 0 "[ . 1 . 2]"
1 66 THR 0.293 0.046 9 0 "[ . 1 . 2]"
1 67 GLY 2.645 0.194 1 0 "[ . 1 . 2]"
1 69 ALA 0.228 0.058 10 0 "[ . 1 . 2]"
1 71 GLY 0.067 0.067 20 0 "[ . 1 . 2]"
1 73 PRO 0.342 0.099 15 0 "[ . 1 . 2]"
1 75 ILE 0.074 0.030 5 0 "[ . 1 . 2]"
1 76 ILE 0.602 0.091 12 0 "[ . 1 . 2]"
1 77 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 THR 0.074 0.030 5 0 "[ . 1 . 2]"
1 88 LEU 0.342 0.099 15 0 "[ . 1 . 2]"
1 89 THR 3.747 0.260 9 0 "[ . 1 . 2]"
1 90 VAL 0.067 0.067 20 0 "[ . 1 . 2]"
1 91 ASN 4.194 0.269 12 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 7 SER N 1 30 THR O 3.000 2.200 5.000 3.382 3.262 3.472 . 0 0 "[ . 1 . 2]" 2
2 1 7 SER H 1 30 THR O 2.000 . 4.000 2.466 2.362 2.576 . 0 0 "[ . 1 . 2]" 2
3 1 9 SER N 1 28 VAL O 3.000 2.200 3.500 2.795 2.717 3.012 . 0 0 "[ . 1 . 2]" 2
4 1 9 SER H 1 28 VAL O 2.000 . 2.500 1.920 1.780 2.076 . 0 0 "[ . 1 . 2]" 2
5 1 11 SER N 1 26 PHE O 3.000 2.200 4.000 2.898 2.756 3.011 . 0 0 "[ . 1 . 2]" 2
6 1 11 SER H 1 26 PHE O 2.000 . 3.000 1.971 1.803 2.071 . 0 0 "[ . 1 . 2]" 2
7 1 17 ILE N 1 91 ASN O 3.000 2.200 4.000 3.817 3.603 4.027 0.027 16 0 "[ . 1 . 2]" 2
8 1 17 ILE H 1 91 ASN O 2.000 . 3.000 3.174 3.076 3.269 0.269 12 0 "[ . 1 . 2]" 2
9 1 23 LYS N 1 65 VAL O 3.000 2.200 4.000 3.218 2.875 3.438 . 0 0 "[ . 1 . 2]" 2
10 1 23 LYS H 1 65 VAL O 2.000 . 3.000 2.333 1.905 2.617 . 0 0 "[ . 1 . 2]" 2
11 1 25 PHE N 1 63 GLY O 3.000 2.200 3.500 3.520 3.376 3.583 0.083 8 0 "[ . 1 . 2]" 2
12 1 25 PHE H 1 63 GLY O 2.000 . 2.500 2.679 2.524 2.778 0.278 8 0 "[ . 1 . 2]" 2
13 1 11 SER O 1 26 PHE N 3.000 2.200 5.000 4.318 4.012 4.642 . 0 0 "[ . 1 . 2]" 2
14 1 11 SER O 1 26 PHE H 2.000 . 4.000 3.431 3.092 3.775 . 0 0 "[ . 1 . 2]" 2
15 1 27 ALA N 1 40 THR OG1 3.000 2.200 3.500 2.780 2.682 2.957 . 0 0 "[ . 1 . 2]" 2
16 1 27 ALA H 1 40 THR OG1 2.000 . 2.500 1.827 1.723 1.999 . 0 0 "[ . 1 . 2]" 2
17 1 9 SER O 1 28 VAL N 3.000 2.200 3.500 2.899 2.774 3.039 . 0 0 "[ . 1 . 2]" 2
18 1 9 SER O 1 28 VAL H 2.000 . 2.500 1.982 1.851 2.120 . 0 0 "[ . 1 . 2]" 2
19 1 29 GLY N 1 37 ALA O 3.000 2.200 3.500 3.293 2.935 3.430 . 0 0 "[ . 1 . 2]" 2
20 1 29 GLY H 1 37 ALA O 2.000 . 2.500 2.322 1.994 2.458 . 0 0 "[ . 1 . 2]" 2
21 1 7 SER O 1 30 THR N 3.000 2.200 3.500 3.175 2.955 3.369 . 0 0 "[ . 1 . 2]" 2
22 1 7 SER O 1 30 THR H 2.000 . 2.500 2.207 1.981 2.399 . 0 0 "[ . 1 . 2]" 2
23 1 31 TYR N 1 35 THR O 3.000 2.200 3.500 2.815 2.720 2.969 . 0 0 "[ . 1 . 2]" 2
24 1 31 TYR H 1 35 THR O 2.000 . 2.500 1.864 1.764 2.013 . 0 0 "[ . 1 . 2]" 2
25 1 31 TYR O 1 35 THR N 3.000 . 4.000 3.639 3.554 3.686 . 0 0 "[ . 1 . 2]" 2
26 1 31 TYR O 1 35 THR H 2.000 . 3.000 3.074 2.961 3.142 0.142 5 0 "[ . 1 . 2]" 2
27 1 29 GLY O 1 37 ALA N 3.000 2.200 3.500 3.312 3.118 3.423 . 0 0 "[ . 1 . 2]" 2
28 1 29 GLY O 1 37 ALA H 2.000 . 2.500 2.393 2.193 2.484 . 0 0 "[ . 1 . 2]" 2
29 1 27 ALA O 1 39 LEU N 3.000 2.200 3.500 3.044 2.828 3.219 . 0 0 "[ . 1 . 2]" 2
30 1 27 ALA O 1 39 LEU H 2.000 . 2.500 2.098 1.872 2.276 . 0 0 "[ . 1 . 2]" 2
31 1 39 LEU O 1 43 VAL N 3.000 2.200 4.000 2.514 2.481 2.547 . 0 0 "[ . 1 . 2]" 2
32 1 39 LEU O 1 43 VAL H 2.000 . 3.000 1.632 1.568 1.683 . 0 0 "[ . 1 . 2]" 2
33 1 40 THR O 1 45 TRP NE1 3.000 2.200 3.500 3.460 3.397 3.532 0.032 7 0 "[ . 1 . 2]" 2
34 1 40 THR O 1 45 TRP HE1 2.000 . 2.500 2.489 2.422 2.558 0.058 7 0 "[ . 1 . 2]" 2
35 1 44 THR N 1 78 THR O 3.000 2.200 3.500 3.022 2.796 3.206 . 0 0 "[ . 1 . 2]" 2
36 1 44 THR H 1 78 THR O 2.000 . 2.500 2.073 1.853 2.253 . 0 0 "[ . 1 . 2]" 2
37 1 46 SER N 1 76 ILE O 3.000 2.200 3.500 3.300 3.075 3.427 . 0 0 "[ . 1 . 2]" 2
38 1 46 SER H 1 76 ILE O 2.000 . 2.500 2.509 2.261 2.591 0.091 12 0 "[ . 1 . 2]" 2
39 1 49 ASN O 1 52 GLN N 3.000 2.200 4.000 3.556 3.371 3.868 . 0 0 "[ . 1 . 2]" 2
40 1 49 ASN O 1 52 GLN H 2.000 . 3.000 2.991 2.837 3.122 0.122 8 0 "[ . 1 . 2]" 2
41 1 50 GLN O 1 53 ALA N 3.000 2.200 3.500 3.425 3.375 3.477 . 0 0 "[ . 1 . 2]" 2
42 1 50 GLN O 1 53 ALA H 2.000 . 2.500 2.536 2.459 2.572 0.072 4 0 "[ . 1 . 2]" 2
43 1 54 LYS N 1 66 THR O 3.000 2.200 3.500 3.432 3.372 3.487 . 0 0 "[ . 1 . 2]" 2
44 1 54 LYS H 1 66 THR O 2.000 . 2.500 2.497 2.436 2.546 0.046 9 0 "[ . 1 . 2]" 2
45 1 56 SER N 1 64 LEU O 3.000 2.200 4.000 3.696 3.366 3.895 . 0 0 "[ . 1 . 2]" 2
46 1 56 SER H 1 64 LEU O 2.000 . 3.000 2.996 2.658 3.155 0.155 13 0 "[ . 1 . 2]" 2
47 1 23 LYS O 1 65 VAL N 3.000 2.200 3.500 3.485 3.251 3.567 0.067 18 0 "[ . 1 . 2]" 2
48 1 23 LYS O 1 65 VAL H 2.000 . 2.500 2.531 2.323 2.617 0.117 13 0 "[ . 1 . 2]" 2
49 1 54 LYS O 1 66 THR N 3.000 2.200 3.500 3.335 3.060 3.487 . 0 0 "[ . 1 . 2]" 2
50 1 54 LYS O 1 66 THR H 2.000 . 2.500 2.387 2.101 2.528 0.028 12 0 "[ . 1 . 2]" 2
51 1 21 VAL O 1 67 GLY N 3.000 2.200 4.000 4.043 3.961 4.121 0.121 1 0 "[ . 1 . 2]" 2
52 1 21 VAL O 1 67 GLY H 2.000 . 3.000 3.086 2.996 3.194 0.194 1 0 "[ . 1 . 2]" 2
53 1 52 GLN O 1 69 ALA N 3.000 2.200 4.000 3.792 2.981 4.037 0.037 1 0 "[ . 1 . 2]" 2
54 1 52 GLN O 1 69 ALA H 2.000 . 3.000 2.860 2.119 3.058 0.058 10 0 "[ . 1 . 2]" 2
55 1 75 ILE N 1 86 THR O 3.000 2.200 5.000 3.453 2.972 3.933 . 0 0 "[ . 1 . 2]" 2
56 1 75 ILE H 1 86 THR O 2.000 . 4.000 2.735 2.177 3.347 . 0 0 "[ . 1 . 2]" 2
57 1 46 SER O 1 76 ILE N 3.000 2.200 5.000 3.050 2.898 3.220 . 0 0 "[ . 1 . 2]" 2
58 1 46 SER O 1 76 ILE H 2.000 . 4.000 2.137 1.985 2.422 . 0 0 "[ . 1 . 2]" 2
59 1 77 ALA N 1 84 GLY O 3.000 2.200 3.500 2.965 2.828 3.150 . 0 0 "[ . 1 . 2]" 2
60 1 77 ALA H 1 84 GLY O 2.000 . 2.500 2.044 1.919 2.207 . 0 0 "[ . 1 . 2]" 2
61 1 44 THR O 1 78 THR N 3.000 2.200 3.500 3.177 3.001 3.367 . 0 0 "[ . 1 . 2]" 2
62 1 44 THR O 1 78 THR H 2.000 . 2.500 2.236 2.082 2.413 . 0 0 "[ . 1 . 2]" 2
63 1 79 TYR N 1 82 VAL O 3.000 2.200 4.000 2.717 2.525 2.856 . 0 0 "[ . 1 . 2]" 2
64 1 79 TYR H 1 82 VAL O 2.000 . 3.000 1.862 1.686 1.993 . 0 0 "[ . 1 . 2]" 2
65 1 79 TYR O 1 82 VAL N 3.000 . 4.000 2.855 2.577 3.218 . 0 0 "[ . 1 . 2]" 2
66 1 79 TYR O 1 82 VAL H 2.000 . 3.000 1.957 1.681 2.319 . 0 0 "[ . 1 . 2]" 2
67 1 77 ALA O 1 84 GLY N 3.000 2.200 3.500 2.915 2.748 3.097 . 0 0 "[ . 1 . 2]" 2
68 1 77 ALA O 1 84 GLY H 2.000 . 2.500 1.999 1.803 2.196 . 0 0 "[ . 1 . 2]" 2
69 1 75 ILE O 1 86 THR N 3.000 2.200 3.500 3.282 2.936 3.499 . 0 0 "[ . 1 . 2]" 2
70 1 75 ILE O 1 86 THR H 2.000 . 2.500 2.357 1.981 2.530 0.030 5 0 "[ . 1 . 2]" 2
71 1 73 PRO O 1 88 LEU N 3.000 2.200 3.500 3.263 2.844 3.367 . 0 0 "[ . 1 . 2]" 2
72 1 73 PRO O 1 88 LEU H 2.000 . 2.500 2.439 1.917 2.599 0.099 15 0 "[ . 1 . 2]" 2
73 1 15 THR O 1 89 THR N 3.000 2.200 4.000 4.025 3.928 4.109 0.109 4 0 "[ . 1 . 2]" 2
74 1 15 THR O 1 89 THR H 2.000 . 3.000 3.154 3.053 3.260 0.260 9 0 "[ . 1 . 2]" 2
75 1 71 GLY O 1 90 VAL N 3.000 2.200 4.000 3.039 2.708 3.821 . 0 0 "[ . 1 . 2]" 2
76 1 71 GLY O 1 90 VAL H 2.000 . 3.000 2.115 1.774 3.067 0.067 20 0 "[ . 1 . 2]" 2
77 1 17 ILE O 1 91 ASN N 3.000 2.200 4.000 3.515 2.903 3.865 . 0 0 "[ . 1 . 2]" 2
78 1 17 ILE O 1 91 ASN H 2.000 . 3.000 2.903 2.359 3.133 0.133 2 0 "[ . 1 . 2]" 2
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