NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
369092 |
1b4r   |
4478 | cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1b4r
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 621
_Distance_constraint_stats_list.Viol_count 676
_Distance_constraint_stats_list.Viol_total 1342.763
_Distance_constraint_stats_list.Viol_max 0.323
_Distance_constraint_stats_list.Viol_rms 0.0283
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0054
_Distance_constraint_stats_list.Viol_average_violations_only 0.0993
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 2.573 0.215 7 0 "[ . 1 . 2]"
1 2 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 LEU 0.329 0.109 9 0 "[ . 1 . 2]"
1 4 VAL 4.086 0.153 11 0 "[ . 1 . 2]"
1 5 GLY 0.870 0.179 20 0 "[ . 1 . 2]"
1 6 PRO 0.017 0.017 17 0 "[ . 1 . 2]"
1 7 HIS 2.731 0.201 3 0 "[ . 1 . 2]"
1 8 GLY 2.731 0.201 3 0 "[ . 1 . 2]"
1 9 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LEU 1.209 0.115 9 0 "[ . 1 . 2]"
1 11 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 SER 1.917 0.134 17 0 "[ . 1 . 2]"
1 13 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLN 1.917 0.134 17 0 "[ . 1 . 2]"
1 15 LEU 1.038 0.207 3 0 "[ . 1 . 2]"
1 16 ALA 4.038 0.195 7 0 "[ . 1 . 2]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 PHE 4.225 0.195 7 0 "[ . 1 . 2]"
1 19 HIS 4.671 0.153 11 0 "[ . 1 . 2]"
1 20 ILE 0.722 0.100 6 0 "[ . 1 . 2]"
1 21 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ALA 2.573 0.215 7 0 "[ . 1 . 2]"
1 23 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 PRO 0.076 0.028 10 0 "[ . 1 . 2]"
1 26 VAL 0.076 0.028 10 0 "[ . 1 . 2]"
1 27 THR 4.535 0.198 9 0 "[ . 1 . 2]"
1 28 ALA 3.197 0.198 9 0 "[ . 1 . 2]"
1 29 THR 2.917 0.161 17 0 "[ . 1 . 2]"
1 30 ARG 0.485 0.084 5 0 "[ . 1 . 2]"
1 31 TRP 10.830 0.201 10 0 "[ . 1 . 2]"
1 32 ASP 0.034 0.034 1 0 "[ . 1 . 2]"
1 33 PHE 2.667 0.167 3 0 "[ . 1 . 2]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ASP 2.383 0.138 19 0 "[ . 1 . 2]"
1 36 GLY 1.673 0.138 19 0 "[ . 1 . 2]"
1 37 SER 0.058 0.035 19 0 "[ . 1 . 2]"
1 38 ALA 3.600 0.195 13 0 "[ . 1 . 2]"
1 39 GLU 3.600 0.195 13 0 "[ . 1 . 2]"
1 40 VAL 4.245 0.201 10 0 "[ . 1 . 2]"
1 41 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ALA 1.108 0.098 18 0 "[ . 1 . 2]"
1 43 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLY 1.338 0.096 10 0 "[ . 1 . 2]"
1 45 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ALA 0.047 0.018 8 0 "[ . 1 . 2]"
1 47 ALA 1.345 0.098 18 0 "[ . 1 . 2]"
1 48 SER 1.861 0.207 3 0 "[ . 1 . 2]"
1 49 HIS 9.789 0.314 5 0 "[ . 1 . 2]"
1 50 ARG 0.522 0.078 3 0 "[ . 1 . 2]"
1 51 TYR 1.630 0.223 1 0 "[ . 1 . 2]"
1 52 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 TYR 0.069 0.047 19 0 "[ . 1 . 2]"
1 58 HIS 0.138 0.065 13 0 "[ . 1 . 2]"
1 59 VAL 0.445 0.096 2 0 "[ . 1 . 2]"
1 60 THR 0.172 0.065 13 0 "[ . 1 . 2]"
1 61 ALA 5.831 0.323 14 0 "[ . 1 . 2]"
1 62 VAL 0.638 0.090 6 0 "[ . 1 . 2]"
1 63 LEU 1.334 0.170 9 0 "[ . 1 . 2]"
1 64 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LEU 2.214 0.089 4 0 "[ . 1 . 2]"
1 66 GLY 1.531 0.089 4 0 "[ . 1 . 2]"
1 67 ALA 1.131 0.067 7 0 "[ . 1 . 2]"
1 68 GLY 1.131 0.067 7 0 "[ . 1 . 2]"
1 69 SER 0.683 0.083 11 0 "[ . 1 . 2]"
1 70 ALA 1.334 0.170 9 0 "[ . 1 . 2]"
1 71 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LEU 10.837 0.323 14 0 "[ . 1 . 2]"
1 73 GLY 0.009 0.008 8 0 "[ . 1 . 2]"
1 74 THR 0.210 0.109 9 0 "[ . 1 . 2]"
1 75 ASP 0.003 0.003 18 0 "[ . 1 . 2]"
1 76 VAL 1.003 0.223 1 0 "[ . 1 . 2]"
1 77 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 VAL 0.227 0.103 17 0 "[ . 1 . 2]"
1 79 GLU 0.006 0.006 9 0 "[ . 1 . 2]"
1 80 ALA 0.006 0.006 9 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 1 ALA HA 1 20 ILE MG 4.000 . 5.500 3.694 3.478 3.943 . 0 0 "[ . 1 . 2]" 1
2 1 1 ALA HA 1 22 ALA MB 3.000 . 3.800 1.677 1.585 1.915 0.215 7 0 "[ . 1 . 2]" 1
3 1 1 ALA MB 1 22 ALA HA 4.000 . 5.500 4.273 4.050 4.533 . 0 0 "[ . 1 . 2]" 1
4 1 1 ALA HA 1 23 PRO QD 4.000 . 5.000 3.353 2.913 3.963 . 0 0 "[ . 1 . 2]" 1
5 1 1 ALA MB 1 23 PRO QD 4.000 . 5.500 2.231 1.946 2.679 . 0 0 "[ . 1 . 2]" 1
6 1 1 ALA MB 1 63 LEU MD1 3.000 . 4.300 2.429 1.940 3.023 . 0 0 "[ . 1 . 2]" 1
7 1 1 ALA MB 1 63 LEU MD2 3.000 . 4.300 2.971 2.622 3.052 . 0 0 "[ . 1 . 2]" 1
8 1 2 THR HA 1 2 THR HB 3.000 . 3.300 2.686 2.616 2.787 . 0 0 "[ . 1 . 2]" 1
9 1 1 ALA HA 1 2 THR H 2.400 . 2.700 2.435 2.297 2.611 . 0 0 "[ . 1 . 2]" 1
10 1 2 THR H 1 2 THR HB 4.000 . 5.000 2.308 2.194 2.504 . 0 0 "[ . 1 . 2]" 1
11 1 2 THR H 1 2 THR MG 3.000 . 3.800 2.674 2.445 2.945 . 0 0 "[ . 1 . 2]" 1
12 1 2 THR HA 1 3 LEU QD 4.000 . 5.500 2.500 2.414 2.594 . 0 0 "[ . 1 . 2]" 1
13 1 2 THR HB 1 3 LEU MD1 4.000 . 5.500 4.679 4.659 4.703 . 0 0 "[ . 1 . 2]" 1
14 1 2 THR H 1 3 LEU MD1 4.000 . 5.500 4.293 3.965 4.574 . 0 0 "[ . 1 . 2]" 1
15 1 2 THR HB 1 4 VAL QG 4.000 . 5.500 4.075 4.003 4.104 . 0 0 "[ . 1 . 2]" 1
16 1 2 THR H 1 20 ILE MG 3.000 . 3.800 3.204 3.167 3.222 . 0 0 "[ . 1 . 2]" 1
17 1 2 THR HB 1 21 ALA MB 3.000 . 3.800 2.580 1.927 3.060 . 0 0 "[ . 1 . 2]" 1
18 1 2 THR H 1 21 ALA H 4.000 . 5.000 2.298 2.082 2.465 . 0 0 "[ . 1 . 2]" 1
19 1 2 THR HB 1 22 ALA MB 4.000 . 5.500 4.343 4.172 4.556 . 0 0 "[ . 1 . 2]" 1
20 1 2 THR H 1 22 ALA HA 4.000 . 5.000 4.379 4.211 4.517 . 0 0 "[ . 1 . 2]" 1
21 1 2 THR HA 1 3 LEU H 3.000 . 3.300 2.224 2.187 2.342 . 0 0 "[ . 1 . 2]" 1
22 1 2 THR HB 1 3 LEU H 4.000 . 5.000 4.208 4.103 4.335 . 0 0 "[ . 1 . 2]" 1
23 1 3 LEU HA 1 3 LEU HB3 3.000 . 3.300 2.499 2.234 2.531 . 0 0 "[ . 1 . 2]" 1
24 1 3 LEU H 1 3 LEU HB3 4.000 . 5.000 3.617 3.582 3.638 . 0 0 "[ . 1 . 2]" 1
25 1 3 LEU H 1 3 LEU HB2 3.000 . 3.300 2.449 2.382 3.346 0.046 6 0 "[ . 1 . 2]" 1
26 1 3 LEU H 1 3 LEU MD1 4.000 . 5.500 1.883 1.758 1.994 0.042 5 0 "[ . 1 . 2]" 1
27 1 3 LEU H 1 3 LEU MD2 4.000 . 5.500 3.711 1.846 3.888 . 0 0 "[ . 1 . 2]" 1
28 1 3 LEU HA 1 20 ILE MD 3.000 . 3.800 3.071 2.658 3.308 . 0 0 "[ . 1 . 2]" 1
29 1 3 LEU HA 1 20 ILE MG 3.000 . 3.800 2.925 2.656 3.227 . 0 0 "[ . 1 . 2]" 1
30 1 3 LEU MD1 1 72 LEU HA 3.000 . 3.800 3.210 3.172 3.245 . 0 0 "[ . 1 . 2]" 1
31 1 3 LEU HA 1 4 VAL H 2.400 . 2.700 2.307 2.250 2.390 . 0 0 "[ . 1 . 2]" 1
32 1 4 VAL H 1 4 VAL HB 3.000 . 3.300 2.740 2.517 3.029 . 0 0 "[ . 1 . 2]" 1
33 1 4 VAL H 1 20 ILE HA 4.000 . 5.000 2.832 2.661 3.031 . 0 0 "[ . 1 . 2]" 1
34 1 4 VAL H 1 20 ILE MD 4.000 . 5.500 3.425 2.975 4.039 . 0 0 "[ . 1 . 2]" 1
35 1 4 VAL H 1 20 ILE MG 4.000 . 5.500 3.719 3.293 4.105 . 0 0 "[ . 1 . 2]" 1
36 1 4 VAL HA 1 5 GLY H 2.400 . 2.700 2.228 2.188 2.302 . 0 0 "[ . 1 . 2]" 1
37 1 4 VAL QG 1 5 GLY H 4.000 . 5.500 3.026 2.673 3.391 . 0 0 "[ . 1 . 2]" 1
38 1 5 GLY QA 1 6 PRO QD 3.000 . 3.300 1.997 1.952 2.049 . 0 0 "[ . 1 . 2]" 1
39 1 5 GLY QA 1 74 THR MG 4.000 . 5.500 4.131 4.112 4.166 . 0 0 "[ . 1 . 2]" 1
40 1 6 PRO HA 1 7 HIS H 3.000 . 3.300 2.231 2.181 2.264 . 0 0 "[ . 1 . 2]" 1
41 1 6 PRO QB 1 7 HIS H 3.000 . 3.300 2.939 2.881 2.998 . 0 0 "[ . 1 . 2]" 1
42 1 7 HIS H 1 7 HIS HA 3.000 . 3.300 2.733 2.624 2.820 . 0 0 "[ . 1 . 2]" 1
43 1 7 HIS H 1 8 GLY H 4.000 . 5.000 2.794 2.082 4.381 . 0 0 "[ . 1 . 2]" 1
44 1 7 HIS HA 1 8 GLY H 3.000 . 3.300 3.201 2.424 3.501 0.201 3 0 "[ . 1 . 2]" 1
45 1 7 HIS QB 1 8 GLY H 3.000 . 3.300 2.604 2.220 3.070 . 0 0 "[ . 1 . 2]" 1
46 1 8 GLY H 1 8 GLY QA 2.400 . 2.700 2.337 2.268 2.388 . 0 0 "[ . 1 . 2]" 1
47 1 8 GLY H 1 9 PRO QD 4.000 . 5.000 4.051 3.300 4.301 . 0 0 "[ . 1 . 2]" 1
48 1 9 PRO HA 1 10 LEU H 2.400 . 2.700 2.313 2.286 2.343 . 0 0 "[ . 1 . 2]" 1
49 1 9 PRO QB 1 10 LEU H 3.000 . 3.300 3.007 2.958 3.051 . 0 0 "[ . 1 . 2]" 1
50 1 10 LEU H 1 10 LEU QD 4.000 . 5.500 3.156 2.399 3.656 . 0 0 "[ . 1 . 2]" 1
51 1 10 LEU H 1 78 VAL MG2 4.000 . 5.500 4.613 4.577 4.680 . 0 0 "[ . 1 . 2]" 1
52 1 10 LEU H 1 79 GLU H 4.000 . 5.000 4.510 4.253 4.709 . 0 0 "[ . 1 . 2]" 1
53 1 10 LEU HA 1 11 ALA H 2.400 . 2.700 2.260 2.175 2.357 . 0 0 "[ . 1 . 2]" 1
54 1 11 ALA H 1 11 ALA MB 2.400 . 3.200 2.212 2.087 2.404 . 0 0 "[ . 1 . 2]" 1
55 1 11 ALA HA 1 79 GLU QB 4.000 . 5.000 3.324 2.853 3.800 . 0 0 "[ . 1 . 2]" 1
56 1 11 ALA HA 1 12 SER H 2.400 . 2.700 2.463 2.354 2.532 . 0 0 "[ . 1 . 2]" 1
57 1 11 ALA MB 1 12 SER H 3.000 . 3.800 2.532 2.351 2.768 . 0 0 "[ . 1 . 2]" 1
58 1 12 SER H 1 12 SER QB 3.000 . 3.300 2.238 2.195 2.286 . 0 0 "[ . 1 . 2]" 1
59 1 12 SER HA 1 78 VAL MG1 3.000 . 3.800 2.116 1.913 2.276 . 0 0 "[ . 1 . 2]" 1
60 1 12 SER QB 1 78 VAL MG1 4.000 . 5.500 3.076 2.713 3.390 . 0 0 "[ . 1 . 2]" 1
61 1 12 SER H 1 78 VAL MG1 3.000 . 3.800 3.000 2.785 3.168 . 0 0 "[ . 1 . 2]" 1
62 1 12 SER H 1 79 GLU QB 4.000 . 5.000 4.430 3.974 4.503 . 0 0 "[ . 1 . 2]" 1
63 1 12 SER QB 1 80 ALA HA 4.000 . 5.000 2.608 1.817 4.547 . 0 0 "[ . 1 . 2]" 1
64 1 12 SER QB 1 80 ALA MB 3.000 . 3.800 2.582 2.025 2.842 . 0 0 "[ . 1 . 2]" 1
65 1 12 SER HA 1 13 GLY H 3.000 . 3.300 2.181 2.170 2.192 . 0 0 "[ . 1 . 2]" 1
66 1 12 SER QB 1 13 GLY H 4.000 . 5.000 3.852 3.780 3.933 . 0 0 "[ . 1 . 2]" 1
67 1 12 SER HG 1 13 GLY H 4.000 . 5.000 2.804 2.536 2.978 . 0 0 "[ . 1 . 2]" 1
68 1 13 GLY H 1 14 GLN H 4.000 . 5.000 2.356 2.119 2.604 . 0 0 "[ . 1 . 2]" 1
69 1 13 GLY H 1 52 VAL HA 3.000 . 3.300 1.997 1.895 2.223 . 0 0 "[ . 1 . 2]" 1
70 1 13 GLY H 1 78 VAL MG1 3.000 . 3.800 3.129 2.963 3.217 . 0 0 "[ . 1 . 2]" 1
71 1 12 SER HG 1 14 GLN H 4.000 . 5.000 5.096 5.049 5.134 0.134 17 0 "[ . 1 . 2]" 1
72 1 13 GLY QA 1 14 GLN H 4.000 . 5.000 2.700 2.635 2.787 . 0 0 "[ . 1 . 2]" 1
73 1 14 GLN H 1 14 GLN QB 3.000 . 3.300 2.461 2.363 2.654 . 0 0 "[ . 1 . 2]" 1
74 1 14 GLN H 1 14 GLN QG 4.000 . 5.000 3.833 2.963 4.242 . 0 0 "[ . 1 . 2]" 1
75 1 10 LEU QD 1 15 LEU HA 4.000 . 5.500 3.925 3.364 4.103 . 0 0 "[ . 1 . 2]" 1
76 1 14 GLN HA 1 15 LEU H 2.400 . 2.700 2.299 2.239 2.406 . 0 0 "[ . 1 . 2]" 1
77 1 14 GLN QG 1 15 LEU H 4.000 . 5.000 3.139 1.903 4.347 . 0 0 "[ . 1 . 2]" 1
78 1 15 LEU H 1 15 LEU HA 3.000 . 3.300 2.985 2.983 2.990 . 0 0 "[ . 1 . 2]" 1
79 1 15 LEU H 1 15 LEU QB 2.400 . 2.700 2.429 2.417 2.457 . 0 0 "[ . 1 . 2]" 1
80 1 15 LEU MD1 1 17 ALA HA 4.000 . 5.500 3.143 2.604 3.295 . 0 0 "[ . 1 . 2]" 1
81 1 15 LEU MD2 1 48 SER HA 4.000 . 5.500 4.602 4.375 4.706 . 0 0 "[ . 1 . 2]" 1
82 1 15 LEU HA 1 50 ARG HA 3.000 . 3.300 2.385 2.262 2.505 . 0 0 "[ . 1 . 2]" 1
83 1 10 LEU QD 1 16 ALA HA 3.000 . 3.800 2.841 2.758 2.885 . 0 0 "[ . 1 . 2]" 1
84 1 10 LEU QD 1 16 ALA MB 3.000 . 4.300 1.781 1.685 2.110 0.115 9 0 "[ . 1 . 2]" 1
85 1 10 LEU QD 1 16 ALA H 4.000 . 5.500 2.837 2.474 3.201 . 0 0 "[ . 1 . 2]" 1
86 1 15 LEU HA 1 16 ALA H 3.000 . 3.300 2.263 2.164 2.317 . 0 0 "[ . 1 . 2]" 1
87 1 15 LEU MD1 1 16 ALA H 3.000 . 3.800 2.877 2.108 3.176 . 0 0 "[ . 1 . 2]" 1
88 1 16 ALA H 1 16 ALA HA 3.000 . 3.300 2.939 2.905 2.974 . 0 0 "[ . 1 . 2]" 1
89 1 16 ALA H 1 16 ALA MB 3.000 . 3.800 2.124 2.090 2.152 . 0 0 "[ . 1 . 2]" 1
90 1 16 ALA MB 1 18 PHE QD 3.000 . 3.800 2.856 2.815 2.898 . 0 0 "[ . 1 . 2]" 1
91 1 16 ALA MB 1 18 PHE QE 3.000 . 3.800 1.650 1.605 1.690 0.195 7 0 "[ . 1 . 2]" 1
92 1 16 ALA MB 1 18 PHE HZ 4.000 . 5.500 3.257 2.985 3.464 . 0 0 "[ . 1 . 2]" 1
93 1 16 ALA MB 1 49 HIS HB2 4.000 . 5.500 2.430 1.800 2.783 0.000 2 0 "[ . 1 . 2]" 1
94 1 16 ALA H 1 50 ARG HA 4.000 . 5.000 3.727 3.459 3.950 . 0 0 "[ . 1 . 2]" 1
95 1 16 ALA MB 1 76 VAL QG 4.000 . 6.000 3.678 3.526 3.766 . 0 0 "[ . 1 . 2]" 1
96 1 6 PRO QG 1 17 ALA H 4.000 . 5.000 4.465 4.369 4.504 . 0 0 "[ . 1 . 2]" 1
97 1 7 HIS HA 1 17 ALA MB 4.000 . 5.500 4.145 3.926 4.437 . 0 0 "[ . 1 . 2]" 1
98 1 15 LEU MD1 1 17 ALA MB 3.000 . 4.300 3.080 3.051 3.104 . 0 0 "[ . 1 . 2]" 1
99 1 16 ALA HA 1 17 ALA H 2.400 . 2.700 2.421 2.362 2.488 . 0 0 "[ . 1 . 2]" 1
100 1 16 ALA MB 1 17 ALA H 3.000 . 3.800 2.742 2.618 2.931 . 0 0 "[ . 1 . 2]" 1
101 1 17 ALA H 1 17 ALA MB 2.400 . 3.200 2.423 2.301 2.484 . 0 0 "[ . 1 . 2]" 1
102 1 17 ALA HA 1 48 SER HA 4.000 . 5.000 2.027 1.926 2.206 . 0 0 "[ . 1 . 2]" 1
103 1 17 ALA HA 1 48 SER QB 4.000 . 5.000 2.070 1.844 2.403 . 0 0 "[ . 1 . 2]" 1
104 1 17 ALA MB 1 48 SER HA 4.000 . 5.500 3.680 3.601 3.789 . 0 0 "[ . 1 . 2]" 1
105 1 17 ALA MB 1 48 SER QB 4.000 . 5.500 2.823 2.666 3.128 . 0 0 "[ . 1 . 2]" 1
106 1 5 GLY QA 1 18 PHE HA 3.000 . 3.300 1.767 1.621 1.871 0.179 20 0 "[ . 1 . 2]" 1
107 1 6 PRO QD 1 18 PHE HA 4.000 . 5.000 1.959 1.783 2.250 0.017 17 0 "[ . 1 . 2]" 1
108 1 16 ALA MB 1 18 PHE H 4.000 . 5.500 4.456 4.224 4.651 . 0 0 "[ . 1 . 2]" 1
109 1 17 ALA HA 1 18 PHE H 2.400 . 2.700 2.165 2.153 2.187 . 0 0 "[ . 1 . 2]" 1
110 1 18 PHE HA 1 18 PHE HB3 3.000 . 3.300 2.521 2.491 2.544 . 0 0 "[ . 1 . 2]" 1
111 1 18 PHE H 1 18 PHE HB3 4.000 . 5.000 3.633 3.615 3.661 . 0 0 "[ . 1 . 2]" 1
112 1 18 PHE H 1 18 PHE HB2 3.000 . 3.300 2.394 2.364 2.433 . 0 0 "[ . 1 . 2]" 1
113 1 18 PHE H 1 18 PHE QD 3.000 . 3.300 2.156 1.861 2.435 . 0 0 "[ . 1 . 2]" 1
114 1 18 PHE QD 1 20 ILE MD 4.000 . 5.500 4.084 3.752 4.215 . 0 0 "[ . 1 . 2]" 1
115 1 18 PHE HB3 1 31 TRP HH2 3.000 . 3.300 2.031 1.948 2.206 . 0 0 "[ . 1 . 2]" 1
116 1 18 PHE HB3 1 31 TRP HZ3 4.000 . 5.000 2.164 2.010 2.473 . 0 0 "[ . 1 . 2]" 1
117 1 18 PHE HB2 1 31 TRP HH2 3.000 . 3.300 3.173 2.779 3.356 0.056 7 0 "[ . 1 . 2]" 1
118 1 18 PHE HB2 1 31 TRP HZ3 4.000 . 5.000 3.066 2.638 3.426 . 0 0 "[ . 1 . 2]" 1
119 1 18 PHE H 1 47 ALA H 4.000 . 5.000 3.620 3.388 3.858 . 0 0 "[ . 1 . 2]" 1
120 1 18 PHE QD 1 48 SER HA 4.000 . 5.000 2.556 2.434 2.761 . 0 0 "[ . 1 . 2]" 1
121 1 18 PHE H 1 48 SER HA 3.000 . 3.300 1.923 1.792 2.129 0.008 5 0 "[ . 1 . 2]" 1
122 1 18 PHE QD 1 59 VAL MG1 4.000 . 5.500 3.160 2.975 3.266 . 0 0 "[ . 1 . 2]" 1
123 1 18 PHE QD 1 59 VAL MG2 4.000 . 5.500 4.070 3.933 4.111 . 0 0 "[ . 1 . 2]" 1
124 1 18 PHE HZ 1 76 VAL HB 4.000 . 5.000 3.685 3.170 5.053 0.053 6 0 "[ . 1 . 2]" 1
125 1 4 VAL HB 1 19 HIS HD2 3.000 . 3.300 3.355 3.231 3.412 0.112 16 0 "[ . 1 . 2]" 1
126 1 4 VAL QG 1 19 HIS HD2 4.000 . 5.500 3.126 2.614 3.349 . 0 0 "[ . 1 . 2]" 1
127 1 4 VAL HA 1 19 HIS HE1 4.000 . 5.000 5.085 5.039 5.153 0.153 11 0 "[ . 1 . 2]" 1
128 1 4 VAL HB 1 19 HIS HE1 3.000 . 3.300 3.051 2.846 3.210 . 0 0 "[ . 1 . 2]" 1
129 1 4 VAL QG 1 19 HIS HE1 3.000 . 3.800 1.940 1.876 2.005 . 0 0 "[ . 1 . 2]" 1
130 1 4 VAL HB 1 19 HIS H 3.000 . 3.300 3.356 3.277 3.405 0.105 19 0 "[ . 1 . 2]" 1
131 1 4 VAL QG 1 19 HIS H 4.000 . 5.500 3.894 3.785 3.988 . 0 0 "[ . 1 . 2]" 1
132 1 5 GLY QA 1 19 HIS H 4.000 . 5.000 3.120 2.874 3.338 . 0 0 "[ . 1 . 2]" 1
133 1 18 PHE HA 1 19 HIS H 2.400 . 2.700 2.420 2.355 2.472 . 0 0 "[ . 1 . 2]" 1
134 1 18 PHE HB3 1 19 HIS H 3.000 . 3.300 2.246 2.079 2.438 . 0 0 "[ . 1 . 2]" 1
135 1 18 PHE QB 1 19 HIS H 4.000 . 5.000 2.222 2.063 2.408 . 0 0 "[ . 1 . 2]" 1
136 1 18 PHE QD 1 19 HIS H 4.000 . 5.000 3.727 3.536 3.925 . 0 0 "[ . 1 . 2]" 1
137 1 19 HIS HA 1 19 HIS HB3 3.000 . 3.300 2.692 2.597 2.792 . 0 0 "[ . 1 . 2]" 1
138 1 19 HIS HA 1 19 HIS HB2 3.000 . 3.300 2.294 2.253 2.344 . 0 0 "[ . 1 . 2]" 1
139 1 19 HIS HA 1 19 HIS HD2 4.000 . 5.000 4.181 3.614 4.962 . 0 0 "[ . 1 . 2]" 1
140 1 19 HIS QB 1 19 HIS HD2 3.000 . 3.300 2.900 2.661 3.057 . 0 0 "[ . 1 . 2]" 1
141 1 19 HIS H 1 19 HIS HB3 3.000 . 3.300 3.256 3.097 3.402 0.102 2 0 "[ . 1 . 2]" 1
142 1 19 HIS H 1 19 HIS HB2 4.000 . 5.000 4.090 4.035 4.132 . 0 0 "[ . 1 . 2]" 1
143 1 19 HIS HA 1 31 TRP HH2 4.000 . 5.000 2.802 2.513 3.174 . 0 0 "[ . 1 . 2]" 1
144 1 19 HIS HA 1 31 TRP HZ2 4.000 . 5.000 2.382 2.053 2.791 . 0 0 "[ . 1 . 2]" 1
145 1 19 HIS HA 1 46 ALA HA 3.000 . 3.300 1.834 1.782 1.952 0.018 8 0 "[ . 1 . 2]" 1
146 1 19 HIS HA 1 46 ALA MB 3.000 . 3.800 3.173 3.058 3.211 . 0 0 "[ . 1 . 2]" 1
147 1 19 HIS QB 1 46 ALA MB 4.000 . 5.500 2.385 2.249 2.519 . 0 0 "[ . 1 . 2]" 1
148 1 3 LEU HA 1 20 ILE HA 4.000 . 5.000 3.399 3.116 3.517 . 0 0 "[ . 1 . 2]" 1
149 1 19 HIS HA 1 20 ILE H 2.400 . 2.700 2.268 2.212 2.333 . 0 0 "[ . 1 . 2]" 1
150 1 19 HIS QB 1 20 ILE H 4.000 . 5.000 3.130 2.844 3.390 . 0 0 "[ . 1 . 2]" 1
151 1 20 ILE HA 1 20 ILE MD 3.000 . 3.800 2.557 2.102 2.896 . 0 0 "[ . 1 . 2]" 1
152 1 20 ILE H 1 20 ILE HB 3.000 . 3.300 2.962 2.785 3.119 . 0 0 "[ . 1 . 2]" 1
153 1 20 ILE H 1 20 ILE MD 4.000 . 5.500 3.220 2.870 3.477 . 0 0 "[ . 1 . 2]" 1
154 1 20 ILE H 1 20 ILE QG 3.000 . 3.300 1.876 1.700 2.064 0.100 6 0 "[ . 1 . 2]" 1
155 1 20 ILE MD 1 31 TRP HH2 3.000 . 3.800 2.104 1.709 2.475 0.091 3 0 "[ . 1 . 2]" 1
156 1 20 ILE MD 1 31 TRP HZ2 3.000 . 3.800 2.824 2.683 3.015 . 0 0 "[ . 1 . 2]" 1
157 1 20 ILE QG 1 45 PRO HA 4.000 . 5.000 3.403 3.100 3.922 . 0 0 "[ . 1 . 2]" 1
158 1 20 ILE H 1 45 PRO HA 4.000 . 5.000 3.722 3.529 3.943 . 0 0 "[ . 1 . 2]" 1
159 1 20 ILE H 1 45 PRO QB 4.000 . 5.000 2.703 2.450 2.974 . 0 0 "[ . 1 . 2]" 1
160 1 20 ILE QG 1 46 ALA HA 4.000 . 5.000 3.772 3.613 3.927 . 0 0 "[ . 1 . 2]" 1
161 1 20 ILE H 1 46 ALA HA 4.000 . 5.000 3.237 3.077 3.336 . 0 0 "[ . 1 . 2]" 1
162 1 20 ILE MD 1 61 ALA MB 4.000 . 6.000 2.217 1.873 2.890 . 0 0 "[ . 1 . 2]" 1
163 1 1 ALA HA 1 21 ALA MB 4.000 . 5.500 4.675 4.631 4.704 . 0 0 "[ . 1 . 2]" 1
164 1 3 LEU HA 1 21 ALA H 4.000 . 5.000 4.551 4.373 4.660 . 0 0 "[ . 1 . 2]" 1
165 1 20 ILE HA 1 21 ALA H 2.400 . 2.700 2.384 2.329 2.452 . 0 0 "[ . 1 . 2]" 1
166 1 20 ILE HB 1 21 ALA H 4.000 . 5.000 3.427 3.194 3.674 . 0 0 "[ . 1 . 2]" 1
167 1 20 ILE MD 1 21 ALA H 4.000 . 5.500 4.235 3.859 4.536 . 0 0 "[ . 1 . 2]" 1
168 1 20 ILE MG 1 21 ALA H 3.000 . 3.800 2.362 2.201 2.484 . 0 0 "[ . 1 . 2]" 1
169 1 21 ALA H 1 21 ALA MB 3.000 . 3.800 2.574 2.529 2.618 . 0 0 "[ . 1 . 2]" 1
170 1 21 ALA HA 1 45 PRO QG 4.000 . 5.000 4.481 4.391 4.550 . 0 0 "[ . 1 . 2]" 1
171 1 21 ALA HA 1 22 ALA H 2.400 . 2.700 2.184 2.161 2.209 . 0 0 "[ . 1 . 2]" 1
172 1 22 ALA H 1 23 PRO QD 4.000 . 5.000 2.278 1.974 2.490 . 0 0 "[ . 1 . 2]" 1
173 1 23 PRO HA 1 24 LEU H 4.000 . 5.000 2.489 2.415 2.616 . 0 0 "[ . 1 . 2]" 1
174 1 24 LEU H 1 24 LEU HA 3.000 . 3.300 2.641 2.540 2.735 . 0 0 "[ . 1 . 2]" 1
175 1 24 LEU H 1 24 LEU QD 3.000 . 3.800 2.278 1.983 2.690 . 0 0 "[ . 1 . 2]" 1
176 1 24 LEU H 1 25 PRO QD 3.000 . 3.300 2.684 2.415 2.968 . 0 0 "[ . 1 . 2]" 1
177 1 25 PRO HA 1 26 VAL H 2.400 . 2.700 2.591 2.369 2.728 0.028 10 0 "[ . 1 . 2]" 1
178 1 25 PRO QB 1 26 VAL H 4.000 . 5.000 3.982 3.825 4.033 . 0 0 "[ . 1 . 2]" 1
179 1 26 VAL HA 1 26 VAL MG1 3.000 . 3.800 2.334 2.129 2.505 . 0 0 "[ . 1 . 2]" 1
180 1 26 VAL H 1 26 VAL HB 3.000 . 3.300 2.584 2.391 2.803 . 0 0 "[ . 1 . 2]" 1
181 1 26 VAL H 1 26 VAL MG2 3.000 . 3.800 2.530 2.073 3.026 . 0 0 "[ . 1 . 2]" 1
182 1 26 VAL MG1 1 45 PRO HA 2.400 . 3.200 2.513 2.280 2.701 . 0 0 "[ . 1 . 2]" 1
183 1 26 VAL MG1 1 45 PRO QB 4.000 . 5.500 2.788 2.452 3.104 . 0 0 "[ . 1 . 2]" 1
184 1 26 VAL MG2 1 45 PRO HA 4.000 . 5.500 3.584 3.310 3.861 . 0 0 "[ . 1 . 2]" 1
185 1 26 VAL MG1 1 63 LEU QB 3.000 . 3.800 2.611 2.316 2.857 . 0 0 "[ . 1 . 2]" 1
186 1 26 VAL MG1 1 65 LEU HG 3.000 . 3.800 3.186 3.176 3.213 . 0 0 "[ . 1 . 2]" 1
187 1 26 VAL MG2 1 65 LEU HG 3.000 . 3.800 3.169 3.012 3.231 . 0 0 "[ . 1 . 2]" 1
188 1 26 VAL HB 1 27 THR H 4.000 . 5.000 3.922 3.702 4.058 . 0 0 "[ . 1 . 2]" 1
189 1 26 VAL MG1 1 27 THR H 3.000 . 3.800 2.195 2.016 2.609 . 0 0 "[ . 1 . 2]" 1
190 1 27 THR H 1 27 THR MG 3.000 . 3.800 2.344 1.810 3.098 . 0 0 "[ . 1 . 2]" 1
191 1 27 THR H 1 28 ALA H 3.000 . 3.300 1.959 1.877 2.014 . 0 0 "[ . 1 . 2]" 1
192 1 27 THR MG 1 65 LEU HA 4.000 . 5.500 2.958 2.153 4.295 . 0 0 "[ . 1 . 2]" 1
193 1 27 THR H 1 65 LEU HG 4.000 . 5.000 3.232 2.851 3.683 . 0 0 "[ . 1 . 2]" 1
194 1 26 VAL MG1 1 28 ALA H 3.000 . 3.800 2.248 1.915 2.591 . 0 0 "[ . 1 . 2]" 1
195 1 27 THR HA 1 28 ALA H 3.000 . 3.300 3.460 3.407 3.498 0.198 9 0 "[ . 1 . 2]" 1
196 1 27 THR MG 1 28 ALA H 4.000 . 5.500 2.970 2.020 4.222 . 0 0 "[ . 1 . 2]" 1
197 1 28 ALA H 1 28 ALA MB 2.400 . 3.200 2.737 2.669 2.813 . 0 0 "[ . 1 . 2]" 1
198 1 20 ILE MD 1 29 THR MG 4.000 . 6.000 4.171 3.813 4.244 . 0 0 "[ . 1 . 2]" 1
199 1 28 ALA HA 1 29 THR H 3.000 . 3.300 2.251 2.193 2.316 . 0 0 "[ . 1 . 2]" 1
200 1 28 ALA MB 1 29 THR H 4.000 . 5.500 2.883 2.709 3.057 . 0 0 "[ . 1 . 2]" 1
201 1 29 THR H 1 29 THR HB 4.000 . 5.000 3.485 3.250 3.767 . 0 0 "[ . 1 . 2]" 1
202 1 29 THR H 1 29 THR MG 3.000 . 3.800 1.920 1.827 2.030 . 0 0 "[ . 1 . 2]" 1
203 1 29 THR MG 1 31 TRP HZ2 4.000 . 5.500 3.162 2.581 3.526 . 0 0 "[ . 1 . 2]" 1
204 1 29 THR HB 1 42 ALA MB 4.000 . 5.500 4.405 4.189 4.656 . 0 0 "[ . 1 . 2]" 1
205 1 29 THR MG 1 42 ALA MB 3.000 . 4.300 1.889 1.717 2.139 0.083 13 0 "[ . 1 . 2]" 1
206 1 29 THR H 1 42 ALA H 4.000 . 5.000 3.387 3.210 3.525 . 0 0 "[ . 1 . 2]" 1
207 1 29 THR H 1 43 ALA HA 4.000 . 5.000 3.630 3.211 4.031 . 0 0 "[ . 1 . 2]" 1
208 1 29 THR MG 1 45 PRO HA 3.000 . 3.800 2.487 1.830 2.949 . 0 0 "[ . 1 . 2]" 1
209 1 29 THR MG 1 47 ALA MB 4.000 . 6.000 3.170 2.826 3.608 . 0 0 "[ . 1 . 2]" 1
210 1 29 THR HB 1 61 ALA MB 4.000 . 5.500 4.393 3.878 4.633 . 0 0 "[ . 1 . 2]" 1
211 1 29 THR MG 1 61 ALA MB 4.000 . 6.000 4.019 3.614 4.169 . 0 0 "[ . 1 . 2]" 1
212 1 29 THR HA 1 63 LEU QB 4.000 . 5.000 3.626 2.871 4.577 . 0 0 "[ . 1 . 2]" 1
213 1 29 THR HA 1 63 LEU MD1 4.000 . 5.500 4.440 3.810 4.701 . 0 0 "[ . 1 . 2]" 1
214 1 29 THR HA 1 30 ARG H 2.400 . 2.700 2.304 2.220 2.437 . 0 0 "[ . 1 . 2]" 1
215 1 29 THR HB 1 30 ARG H 4.000 . 5.000 3.809 3.645 4.100 . 0 0 "[ . 1 . 2]" 1
216 1 29 THR MG 1 30 ARG H 4.000 . 5.500 3.998 3.607 4.322 . 0 0 "[ . 1 . 2]" 1
217 1 30 ARG QB 1 30 ARG HE 3.000 . 3.300 2.460 1.961 2.971 . 0 0 "[ . 1 . 2]" 1
218 1 30 ARG HA 1 62 VAL QG 4.000 . 5.500 3.904 3.553 4.123 . 0 0 "[ . 1 . 2]" 1
219 1 30 ARG HE 1 62 VAL QG 4.000 . 5.500 3.189 2.004 4.077 . 0 0 "[ . 1 . 2]" 1
220 1 30 ARG H 1 62 VAL H 4.000 . 5.000 2.675 2.210 3.130 . 0 0 "[ . 1 . 2]" 1
221 1 30 ARG H 1 63 LEU HA 4.000 . 5.000 3.286 2.731 3.895 . 0 0 "[ . 1 . 2]" 1
222 1 18 PHE HA 1 31 TRP HH2 4.000 . 5.000 3.974 3.882 4.098 . 0 0 "[ . 1 . 2]" 1
223 1 20 ILE QG 1 31 TRP HH2 3.000 . 3.300 2.872 2.594 3.036 . 0 0 "[ . 1 . 2]" 1
224 1 20 ILE MG 1 31 TRP HH2 4.000 . 5.500 4.245 3.779 4.597 . 0 0 "[ . 1 . 2]" 1
225 1 20 ILE MD 1 31 TRP HZ3 4.000 . 5.500 2.852 2.702 2.974 . 0 0 "[ . 1 . 2]" 1
226 1 29 THR HB 1 31 TRP HD1 4.000 . 5.000 5.047 5.006 5.113 0.113 17 0 "[ . 1 . 2]" 1
227 1 29 THR MG 1 31 TRP HD1 4.000 . 5.500 2.897 2.373 3.661 . 0 0 "[ . 1 . 2]" 1
228 1 29 THR HB 1 31 TRP HE1 4.000 . 5.000 3.902 3.809 4.056 . 0 0 "[ . 1 . 2]" 1
229 1 29 THR HG1 1 31 TRP HE1 3.000 . 3.300 2.845 2.519 3.374 0.074 16 0 "[ . 1 . 2]" 1
230 1 29 THR MG 1 31 TRP HE1 3.000 . 3.800 1.773 1.639 1.943 0.161 17 0 "[ . 1 . 2]" 1
231 1 30 ARG HA 1 31 TRP HD1 3.000 . 3.300 3.236 2.941 3.384 0.084 5 0 "[ . 1 . 2]" 1
232 1 30 ARG HA 1 31 TRP H 3.000 . 3.300 2.209 2.183 2.232 . 0 0 "[ . 1 . 2]" 1
233 1 31 TRP QB 1 31 TRP HD1 3.000 . 3.300 2.819 2.778 2.879 . 0 0 "[ . 1 . 2]" 1
234 1 31 TRP QB 1 31 TRP HE3 3.000 . 3.300 2.403 2.387 2.418 . 0 0 "[ . 1 . 2]" 1
235 1 31 TRP H 1 31 TRP QB 3.000 . 3.300 2.505 2.479 2.552 . 0 0 "[ . 1 . 2]" 1
236 1 31 TRP H 1 31 TRP HD1 3.000 . 3.300 1.962 1.907 2.034 . 0 0 "[ . 1 . 2]" 1
237 1 31 TRP HA 1 40 VAL HB 3.000 . 3.300 3.480 3.469 3.501 0.201 10 0 "[ . 1 . 2]" 1
238 1 31 TRP HA 1 40 VAL MG2 4.000 . 5.500 4.135 4.012 4.264 . 0 0 "[ . 1 . 2]" 1
239 1 31 TRP HD1 1 40 VAL HB 3.000 . 3.300 3.326 3.215 3.371 0.071 12 0 "[ . 1 . 2]" 1
240 1 31 TRP HD1 1 40 VAL MG1 3.000 . 3.800 2.787 2.590 3.030 . 0 0 "[ . 1 . 2]" 1
241 1 31 TRP H 1 40 VAL HB 4.000 . 5.000 2.039 1.982 2.102 . 0 0 "[ . 1 . 2]" 1
242 1 31 TRP H 1 40 VAL H 4.000 . 5.000 3.567 3.430 3.673 . 0 0 "[ . 1 . 2]" 1
243 1 31 TRP HD1 1 41 ASP HA 4.000 . 5.000 4.538 4.232 4.850 . 0 0 "[ . 1 . 2]" 1
244 1 31 TRP H 1 41 ASP HA 4.000 . 5.000 3.920 3.688 4.198 . 0 0 "[ . 1 . 2]" 1
245 1 31 TRP HD1 1 42 ALA MB 3.000 . 3.800 2.077 1.878 2.358 . 0 0 "[ . 1 . 2]" 1
246 1 31 TRP HE1 1 42 ALA MB 3.000 . 3.800 2.210 1.904 2.638 . 0 0 "[ . 1 . 2]" 1
247 1 31 TRP HD1 1 47 ALA MB 3.000 . 3.800 2.887 2.592 3.152 . 0 0 "[ . 1 . 2]" 1
248 1 31 TRP HE1 1 47 ALA MB 3.000 . 3.800 2.265 2.078 2.480 . 0 0 "[ . 1 . 2]" 1
249 1 31 TRP HE3 1 47 ALA MB 4.000 . 5.500 3.814 3.555 4.068 . 0 0 "[ . 1 . 2]" 1
250 1 31 TRP HH2 1 47 ALA MB 4.000 . 5.500 4.152 3.883 4.369 . 0 0 "[ . 1 . 2]" 1
251 1 31 TRP HZ2 1 47 ALA MB 3.000 . 3.800 3.174 3.017 3.239 . 0 0 "[ . 1 . 2]" 1
252 1 31 TRP HE3 1 59 VAL HB 4.000 . 5.000 4.950 4.761 5.084 0.084 16 0 "[ . 1 . 2]" 1
253 1 31 TRP HE3 1 59 VAL MG1 3.000 . 3.800 2.357 2.259 2.457 . 0 0 "[ . 1 . 2]" 1
254 1 31 TRP HE3 1 59 VAL MG2 4.000 . 5.500 4.430 4.367 4.553 . 0 0 "[ . 1 . 2]" 1
255 1 31 TRP HZ3 1 59 VAL MG1 3.000 . 3.800 2.970 2.775 3.094 . 0 0 "[ . 1 . 2]" 1
256 1 31 TRP HA 1 61 ALA MB 4.000 . 5.500 2.597 2.399 2.740 . 0 0 "[ . 1 . 2]" 1
257 1 31 TRP HD1 1 61 ALA MB 4.000 . 5.500 3.960 3.776 4.154 . 0 0 "[ . 1 . 2]" 1
258 1 31 TRP HE3 1 61 ALA MB 4.000 . 5.500 3.189 3.049 3.357 . 0 0 "[ . 1 . 2]" 1
259 1 31 TRP HH2 1 61 ALA MB 4.000 . 5.500 4.463 4.237 4.591 . 0 0 "[ . 1 . 2]" 1
260 1 31 TRP HZ2 1 61 ALA MB 4.000 . 5.500 4.308 4.046 4.469 . 0 0 "[ . 1 . 2]" 1
261 1 31 TRP HZ3 1 61 ALA MB 4.000 . 5.500 3.885 3.733 4.057 . 0 0 "[ . 1 . 2]" 1
262 1 31 TRP HA 1 72 LEU QB 4.000 . 5.000 4.579 4.544 4.628 . 0 0 "[ . 1 . 2]" 1
263 1 31 TRP HH2 1 72 LEU QD 4.000 . 5.500 3.609 3.357 3.751 . 0 0 "[ . 1 . 2]" 1
264 1 31 TRP HZ3 1 72 LEU QD 3.000 . 3.800 2.829 2.710 2.880 . 0 0 "[ . 1 . 2]" 1
265 1 31 TRP HE3 1 74 THR MG 4.000 . 5.500 4.241 3.916 4.578 . 0 0 "[ . 1 . 2]" 1
266 1 31 TRP HZ3 1 74 THR MG 4.000 . 5.500 3.293 2.982 3.623 . 0 0 "[ . 1 . 2]" 1
267 1 31 TRP HA 1 32 ASP H 2.400 . 2.700 2.540 2.517 2.575 . 0 0 "[ . 1 . 2]" 1
268 1 31 TRP QB 1 32 ASP H 4.000 . 5.000 2.023 1.982 2.057 . 0 0 "[ . 1 . 2]" 1
269 1 32 ASP HA 1 32 ASP HB3 3.000 . 3.300 2.820 2.728 2.867 . 0 0 "[ . 1 . 2]" 1
270 1 32 ASP H 1 32 ASP HB3 4.000 . 5.000 3.573 3.506 3.703 . 0 0 "[ . 1 . 2]" 1
271 1 32 ASP H 1 32 ASP HB2 3.000 . 3.300 2.829 2.759 2.882 . 0 0 "[ . 1 . 2]" 1
272 1 32 ASP H 1 60 THR MG 4.000 . 5.500 3.963 3.136 4.572 . 0 0 "[ . 1 . 2]" 1
273 1 32 ASP H 1 60 THR H 4.000 . 5.000 2.616 2.453 2.838 . 0 0 "[ . 1 . 2]" 1
274 1 32 ASP HA 1 33 PHE H 2.400 . 2.700 2.229 2.217 2.249 . 0 0 "[ . 1 . 2]" 1
275 1 32 ASP HB3 1 33 PHE H 4.000 . 5.000 3.996 3.925 4.064 . 0 0 "[ . 1 . 2]" 1
276 1 32 ASP HB2 1 33 PHE H 4.000 . 5.000 4.655 4.620 4.674 . 0 0 "[ . 1 . 2]" 1
277 1 33 PHE HA 1 33 PHE HB3 3.000 . 3.300 2.368 2.352 2.392 . 0 0 "[ . 1 . 2]" 1
278 1 33 PHE HA 1 33 PHE QD 3.000 . 3.300 2.155 2.057 2.212 . 0 0 "[ . 1 . 2]" 1
279 1 33 PHE HB3 1 33 PHE QD 3.000 . 3.300 2.752 2.732 2.768 . 0 0 "[ . 1 . 2]" 1
280 1 33 PHE HB2 1 33 PHE QD 3.000 . 3.300 2.482 2.451 2.512 . 0 0 "[ . 1 . 2]" 1
281 1 33 PHE H 1 33 PHE HB3 4.000 . 5.000 3.684 3.672 3.703 . 0 0 "[ . 1 . 2]" 1
282 1 33 PHE H 1 33 PHE HB2 3.000 . 3.300 2.729 2.675 2.771 . 0 0 "[ . 1 . 2]" 1
283 1 33 PHE H 1 33 PHE QD 3.000 . 3.300 2.646 2.572 2.727 . 0 0 "[ . 1 . 2]" 1
284 1 33 PHE H 1 34 GLY H 3.000 . 3.300 2.765 2.613 2.873 . 0 0 "[ . 1 . 2]" 1
285 1 33 PHE QD 1 40 VAL HB 4.000 . 5.000 4.425 4.361 4.483 . 0 0 "[ . 1 . 2]" 1
286 1 33 PHE QD 1 40 VAL MG1 4.000 . 5.500 3.801 3.727 3.895 . 0 0 "[ . 1 . 2]" 1
287 1 33 PHE QD 1 40 VAL MG2 4.000 . 5.500 2.435 2.360 2.512 . 0 0 "[ . 1 . 2]" 1
288 1 33 PHE HZ 1 40 VAL MG1 4.000 . 5.500 1.990 1.917 2.102 . 0 0 "[ . 1 . 2]" 1
289 1 33 PHE HZ 1 40 VAL MG2 4.000 . 5.500 2.858 2.684 2.965 . 0 0 "[ . 1 . 2]" 1
290 1 33 PHE HZ 1 47 ALA MB 3.000 . 3.800 2.759 2.585 2.929 . 0 0 "[ . 1 . 2]" 1
291 1 33 PHE QD 1 50 ARG QG 3.000 . 3.300 2.615 2.526 2.664 . 0 0 "[ . 1 . 2]" 1
292 1 33 PHE HA 1 59 VAL HA 3.000 . 3.300 3.077 2.972 3.232 . 0 0 "[ . 1 . 2]" 1
293 1 33 PHE HA 1 59 VAL MG1 4.000 . 5.500 3.174 3.055 3.405 . 0 0 "[ . 1 . 2]" 1
294 1 33 PHE QD 1 59 VAL MG1 3.000 . 3.800 2.892 2.862 2.915 . 0 0 "[ . 1 . 2]" 1
295 1 33 PHE QE 1 59 VAL MG1 4.000 . 5.500 3.857 3.615 3.962 . 0 0 "[ . 1 . 2]" 1
296 1 32 ASP HA 1 34 GLY H 4.000 . 5.000 4.416 4.098 4.630 . 0 0 "[ . 1 . 2]" 1
297 1 33 PHE HA 1 34 GLY H 4.000 . 5.000 3.586 3.581 3.596 . 0 0 "[ . 1 . 2]" 1
298 1 34 GLY QA 1 35 ASP H 4.000 . 5.000 2.910 2.870 2.939 . 0 0 "[ . 1 . 2]" 1
299 1 35 ASP HA 1 35 ASP HB3 3.000 . 3.300 2.372 2.332 2.428 . 0 0 "[ . 1 . 2]" 1
300 1 35 ASP H 1 35 ASP HA 3.000 . 3.300 2.971 2.954 2.978 . 0 0 "[ . 1 . 2]" 1
301 1 35 ASP H 1 35 ASP HB3 3.000 . 3.300 3.123 2.868 3.290 . 0 0 "[ . 1 . 2]" 1
302 1 35 ASP H 1 35 ASP HB2 4.000 . 5.000 3.607 3.561 3.629 . 0 0 "[ . 1 . 2]" 1
303 1 35 ASP H 1 36 GLY QA 4.000 . 5.000 4.551 4.451 4.640 . 0 0 "[ . 1 . 2]" 1
304 1 35 ASP H 1 36 GLY H 3.000 . 3.300 3.116 2.764 3.338 0.038 11 0 "[ . 1 . 2]" 1
305 1 35 ASP H 1 37 SER H 4.000 . 5.000 2.926 2.718 3.242 . 0 0 "[ . 1 . 2]" 1
306 1 35 ASP H 1 51 TYR HH 4.000 . 5.000 5.010 4.480 5.063 0.063 11 0 "[ . 1 . 2]" 1
307 1 35 ASP HA 1 57 TYR QD 3.000 . 3.300 2.981 2.949 3.056 . 0 0 "[ . 1 . 2]" 1
308 1 35 ASP HA 1 36 GLY H 3.000 . 3.300 3.242 2.902 3.438 0.138 19 0 "[ . 1 . 2]" 1
309 1 35 ASP HB3 1 36 GLY H 4.000 . 5.000 3.844 3.329 4.630 . 0 0 "[ . 1 . 2]" 1
310 1 35 ASP HB2 1 36 GLY H 4.000 . 5.000 2.922 1.899 4.416 . 0 0 "[ . 1 . 2]" 1
311 1 36 GLY H 1 37 SER H 3.000 . 3.300 2.409 2.164 2.721 . 0 0 "[ . 1 . 2]" 1
312 1 36 GLY QA 1 37 SER H 4.000 . 5.000 2.821 2.715 2.904 . 0 0 "[ . 1 . 2]" 1
313 1 37 SER H 1 37 SER HA 3.000 . 3.300 2.983 2.971 2.994 . 0 0 "[ . 1 . 2]" 1
314 1 37 SER H 1 37 SER QB 3.000 . 3.300 2.833 2.433 3.006 . 0 0 "[ . 1 . 2]" 1
315 1 37 SER H 1 37 SER HG 2.400 . 2.700 2.530 1.960 2.735 0.035 19 0 "[ . 1 . 2]" 1
316 1 37 SER HA 1 38 ALA H 3.000 . 3.300 2.222 2.200 2.282 . 0 0 "[ . 1 . 2]" 1
317 1 38 ALA H 1 38 ALA HA 3.000 . 3.300 2.910 2.881 2.925 . 0 0 "[ . 1 . 2]" 1
318 1 38 ALA H 1 38 ALA MB 2.400 . 3.200 2.171 2.131 2.199 . 0 0 "[ . 1 . 2]" 1
319 1 32 ASP HA 1 39 GLU HA 3.000 . 3.300 2.952 2.814 3.110 . 0 0 "[ . 1 . 2]" 1
320 1 38 ALA HA 1 39 GLU H 3.000 . 3.300 3.480 3.443 3.495 0.195 13 0 "[ . 1 . 2]" 1
321 1 38 ALA MB 1 39 GLU H 4.000 . 5.500 1.919 1.845 1.969 . 0 0 "[ . 1 . 2]" 1
322 1 39 GLU H 1 39 GLU QB 3.000 . 3.300 2.411 2.060 2.628 . 0 0 "[ . 1 . 2]" 1
323 1 39 GLU H 1 39 GLU QG 4.000 . 5.000 2.502 1.959 3.711 . 0 0 "[ . 1 . 2]" 1
324 1 32 ASP HA 1 40 VAL MG1 4.000 . 5.500 4.701 4.671 4.724 . 0 0 "[ . 1 . 2]" 1
325 1 32 ASP HA 1 40 VAL MG2 4.000 . 5.500 2.334 2.196 2.468 . 0 0 "[ . 1 . 2]" 1
326 1 39 GLU HA 1 40 VAL H 2.400 . 2.700 2.304 2.251 2.344 . 0 0 "[ . 1 . 2]" 1
327 1 39 GLU QB 1 40 VAL H 3.000 . 3.300 2.826 2.703 2.954 . 0 0 "[ . 1 . 2]" 1
328 1 39 GLU QG 1 40 VAL H 4.000 . 5.000 3.821 2.857 4.445 . 0 0 "[ . 1 . 2]" 1
329 1 40 VAL HA 1 40 VAL MG1 3.000 . 3.800 2.379 2.336 2.438 . 0 0 "[ . 1 . 2]" 1
330 1 40 VAL H 1 40 VAL HB 3.000 . 3.300 2.740 2.660 2.814 . 0 0 "[ . 1 . 2]" 1
331 1 40 VAL H 1 40 VAL MG2 3.000 . 3.800 2.839 2.696 2.979 . 0 0 "[ . 1 . 2]" 1
332 1 40 VAL MG1 1 41 ASP HA 4.000 . 5.500 3.794 3.609 3.970 . 0 0 "[ . 1 . 2]" 1
333 1 30 ARG HA 1 41 ASP HA 3.000 . 3.300 2.787 2.581 2.957 . 0 0 "[ . 1 . 2]" 1
334 1 30 ARG QB 1 41 ASP HA 4.000 . 5.000 4.390 3.755 4.485 . 0 0 "[ . 1 . 2]" 1
335 1 40 VAL HA 1 41 ASP H 2.400 . 2.700 2.200 2.182 2.244 . 0 0 "[ . 1 . 2]" 1
336 1 40 VAL MG1 1 41 ASP H 3.000 . 3.800 2.781 2.481 3.163 . 0 0 "[ . 1 . 2]" 1
337 1 40 VAL MG2 1 41 ASP H 4.000 . 5.500 4.135 3.994 4.244 . 0 0 "[ . 1 . 2]" 1
338 1 41 ASP HA 1 41 ASP HB3 3.000 . 3.300 2.630 2.393 2.831 . 0 0 "[ . 1 . 2]" 1
339 1 41 ASP H 1 41 ASP HB3 4.000 . 5.000 3.571 3.309 3.795 . 0 0 "[ . 1 . 2]" 1
340 1 41 ASP H 1 41 ASP HB2 3.000 . 3.300 2.400 2.194 2.740 . 0 0 "[ . 1 . 2]" 1
341 1 28 ALA HA 1 42 ALA MB 4.000 . 5.500 4.450 4.143 4.637 . 0 0 "[ . 1 . 2]" 1
342 1 30 ARG HA 1 42 ALA MB 4.000 . 5.500 4.078 3.828 4.245 . 0 0 "[ . 1 . 2]" 1
343 1 30 ARG HA 1 42 ALA H 4.000 . 5.000 2.963 2.808 3.144 . 0 0 "[ . 1 . 2]" 1
344 1 31 TRP HD1 1 42 ALA H 4.000 . 5.000 3.066 2.630 3.753 . 0 0 "[ . 1 . 2]" 1
345 1 40 VAL MG1 1 42 ALA MB 3.000 . 4.300 2.656 2.559 2.749 . 0 0 "[ . 1 . 2]" 1
346 1 40 VAL MG1 1 42 ALA H 4.000 . 5.500 3.332 2.943 3.881 . 0 0 "[ . 1 . 2]" 1
347 1 41 ASP HA 1 42 ALA MB 4.000 . 5.500 4.097 3.964 4.155 . 0 0 "[ . 1 . 2]" 1
348 1 41 ASP HA 1 42 ALA H 2.400 . 2.700 2.263 2.214 2.307 . 0 0 "[ . 1 . 2]" 1
349 1 41 ASP HB3 1 42 ALA H 4.000 . 5.000 3.964 3.593 4.131 . 0 0 "[ . 1 . 2]" 1
350 1 41 ASP HB2 1 42 ALA H 4.000 . 5.000 4.550 4.347 4.675 . 0 0 "[ . 1 . 2]" 1
351 1 42 ALA H 1 42 ALA HA 3.000 . 3.300 2.979 2.956 2.996 . 0 0 "[ . 1 . 2]" 1
352 1 42 ALA H 1 42 ALA MB 2.400 . 3.200 2.312 2.218 2.522 . 0 0 "[ . 1 . 2]" 1
353 1 42 ALA MB 1 46 ALA HA 4.000 . 5.500 4.480 4.284 4.599 . 0 0 "[ . 1 . 2]" 1
354 1 42 ALA MB 1 47 ALA MB 2.400 . 3.700 1.811 1.702 1.953 0.098 18 0 "[ . 1 . 2]" 1
355 1 28 ALA HA 1 43 ALA MB 4.000 . 5.500 4.012 3.790 4.277 . 0 0 "[ . 1 . 2]" 1
356 1 42 ALA HA 1 43 ALA H 2.400 . 2.700 2.378 2.260 2.481 . 0 0 "[ . 1 . 2]" 1
357 1 43 ALA H 1 43 ALA MB 2.400 . 3.200 2.247 2.113 2.398 . 0 0 "[ . 1 . 2]" 1
358 1 26 VAL MG1 1 44 GLY H 4.000 . 5.500 3.841 3.223 4.561 . 0 0 "[ . 1 . 2]" 1
359 1 27 THR HA 1 44 GLY H 3.000 . 3.300 3.364 3.248 3.396 0.096 10 0 "[ . 1 . 2]" 1
360 1 43 ALA HA 1 44 GLY H 2.400 . 2.700 2.323 2.289 2.348 . 0 0 "[ . 1 . 2]" 1
361 1 43 ALA MB 1 44 GLY H 3.000 . 3.800 2.749 2.634 2.836 . 0 0 "[ . 1 . 2]" 1
362 1 43 ALA H 1 44 GLY H 4.000 . 5.000 4.607 4.580 4.643 . 0 0 "[ . 1 . 2]" 1
363 1 44 GLY QA 1 45 PRO QD 3.000 . 3.300 1.940 1.920 1.979 . 0 0 "[ . 1 . 2]" 1
364 1 19 HIS QB 1 46 ALA HA 4.000 . 5.000 2.681 2.538 2.893 . 0 0 "[ . 1 . 2]" 1
365 1 31 TRP HZ2 1 46 ALA HA 3.000 . 3.300 2.606 2.232 2.812 . 0 0 "[ . 1 . 2]" 1
366 1 45 PRO QG 1 46 ALA MB 4.000 . 5.500 3.904 3.773 3.983 . 0 0 "[ . 1 . 2]" 1
367 1 45 PRO HA 1 46 ALA H 4.000 . 5.000 3.016 2.981 3.041 . 0 0 "[ . 1 . 2]" 1
368 1 45 PRO QD 1 46 ALA H 4.000 . 5.000 3.449 3.390 3.508 . 0 0 "[ . 1 . 2]" 1
369 1 45 PRO QG 1 46 ALA H 4.000 . 5.000 4.399 4.358 4.440 . 0 0 "[ . 1 . 2]" 1
370 1 46 ALA H 1 46 ALA MB 2.400 . 3.200 2.598 2.530 2.682 . 0 0 "[ . 1 . 2]" 1
371 1 18 PHE HB2 1 47 ALA H 4.000 . 5.000 3.570 3.264 3.738 . 0 0 "[ . 1 . 2]" 1
372 1 19 HIS HA 1 47 ALA H 4.000 . 5.000 3.069 2.944 3.197 . 0 0 "[ . 1 . 2]" 1
373 1 40 VAL MG1 1 47 ALA MB 3.000 . 4.300 2.520 2.423 2.583 . 0 0 "[ . 1 . 2]" 1
374 1 40 VAL MG2 1 47 ALA MB 4.000 . 6.000 4.229 4.203 4.251 . 0 0 "[ . 1 . 2]" 1
375 1 46 ALA HA 1 47 ALA H 2.400 . 2.700 2.267 2.203 2.326 . 0 0 "[ . 1 . 2]" 1
376 1 46 ALA MB 1 47 ALA H 3.000 . 3.800 2.753 2.623 2.952 . 0 0 "[ . 1 . 2]" 1
377 1 46 ALA H 1 47 ALA H 4.000 . 5.000 4.455 4.382 4.498 . 0 0 "[ . 1 . 2]" 1
378 1 47 ALA HA 1 47 ALA MB 2.400 . 3.200 2.154 2.139 2.159 . 0 0 "[ . 1 . 2]" 1
379 1 47 ALA H 1 47 ALA HA 3.000 . 3.300 2.910 2.867 2.963 . 0 0 "[ . 1 . 2]" 1
380 1 47 ALA H 1 47 ALA MB 3.000 . 3.800 2.808 2.685 2.908 . 0 0 "[ . 1 . 2]" 1
381 1 15 LEU MD1 1 48 SER HA 4.000 . 5.500 3.452 2.909 3.695 . 0 0 "[ . 1 . 2]" 1
382 1 15 LEU MD1 1 48 SER QB 3.000 . 3.800 1.792 1.593 2.019 0.207 3 0 "[ . 1 . 2]" 1
383 1 18 PHE QD 1 48 SER QB 4.000 . 5.000 4.077 4.037 4.128 . 0 0 "[ . 1 . 2]" 1
384 1 47 ALA HA 1 48 SER H 2.400 . 2.700 2.676 2.366 2.776 0.076 7 0 "[ . 1 . 2]" 1
385 1 47 ALA MB 1 48 SER H 2.400 . 3.200 2.129 1.875 2.692 . 0 0 "[ . 1 . 2]" 1
386 1 15 LEU QD 1 49 HIS HA 4.000 . 5.500 3.645 3.499 3.795 . 0 0 "[ . 1 . 2]" 1
387 1 15 LEU QD 1 49 HIS H 4.000 . 5.500 2.716 2.295 3.099 . 0 0 "[ . 1 . 2]" 1
388 1 16 ALA MB 1 49 HIS H 3.000 . 3.800 3.090 2.800 3.262 . 0 0 "[ . 1 . 2]" 1
389 1 17 ALA MB 1 49 HIS H 4.000 . 5.500 4.618 4.527 4.713 . 0 0 "[ . 1 . 2]" 1
390 1 18 PHE QE 1 49 HIS HE1 4.000 . 5.000 4.479 4.349 4.533 . 0 0 "[ . 1 . 2]" 1
391 1 31 TRP HA 1 49 HIS HE1 4.000 . 5.000 5.132 5.069 5.198 0.198 16 0 "[ . 1 . 2]" 1
392 1 33 PHE HA 1 49 HIS HE1 4.000 . 5.000 4.010 3.919 4.079 . 0 0 "[ . 1 . 2]" 1
393 1 33 PHE HB3 1 49 HIS HE1 4.000 . 5.000 5.133 5.099 5.167 0.167 3 0 "[ . 1 . 2]" 1
394 1 33 PHE QD 1 49 HIS HE1 3.000 . 3.300 2.710 2.523 2.788 . 0 0 "[ . 1 . 2]" 1
395 1 40 VAL MG2 1 49 HIS HE1 4.000 . 5.500 4.296 4.026 4.423 . 0 0 "[ . 1 . 2]" 1
396 1 48 SER HA 1 49 HIS H 3.000 . 3.300 2.298 2.216 2.587 . 0 0 "[ . 1 . 2]" 1
397 1 48 SER QB 1 49 HIS H 4.000 . 5.000 2.885 2.413 3.163 . 0 0 "[ . 1 . 2]" 1
398 1 49 HIS HA 1 49 HIS HB2 3.000 . 3.300 2.972 2.953 3.000 . 0 0 "[ . 1 . 2]" 1
399 1 49 HIS H 1 49 HIS HB3 3.000 . 3.300 3.524 3.486 3.614 0.314 5 0 "[ . 1 . 2]" 1
400 1 49 HIS H 1 49 HIS HB2 4.000 . 5.000 2.282 2.214 2.547 . 0 0 "[ . 1 . 2]" 1
401 1 15 LEU MD1 1 50 ARG HE 4.000 . 5.500 4.575 4.252 4.639 . 0 0 "[ . 1 . 2]" 1
402 1 15 LEU QD 1 50 ARG H 4.000 . 5.500 3.528 3.259 4.120 . 0 0 "[ . 1 . 2]" 1
403 1 33 PHE QD 1 50 ARG HE 3.000 . 3.300 2.953 2.832 3.003 . 0 0 "[ . 1 . 2]" 1
404 1 49 HIS HA 1 50 ARG H 3.000 . 3.300 2.201 2.172 2.237 . 0 0 "[ . 1 . 2]" 1
405 1 50 ARG H 1 50 ARG QG 4.000 . 5.000 1.781 1.722 1.843 0.078 3 0 "[ . 1 . 2]" 1
406 1 50 ARG HA 1 51 TYR H 3.000 . 3.300 2.294 2.260 2.341 . 0 0 "[ . 1 . 2]" 1
407 1 51 TYR H 1 51 TYR HB3 4.000 . 5.000 3.623 3.589 3.643 . 0 0 "[ . 1 . 2]" 1
408 1 51 TYR H 1 51 TYR HB2 4.000 . 5.000 2.350 2.295 2.387 . 0 0 "[ . 1 . 2]" 1
409 1 51 TYR QD 1 57 TYR HB3 4.000 . 5.000 4.113 3.888 4.360 . 0 0 "[ . 1 . 2]" 1
410 1 51 TYR QE 1 59 VAL MG2 4.000 . 5.500 3.194 3.053 3.477 . 0 0 "[ . 1 . 2]" 1
411 1 51 TYR QD 1 76 VAL QG 3.000 . 3.800 2.501 2.434 2.599 . 0 0 "[ . 1 . 2]" 1
412 1 51 TYR QE 1 76 VAL HB 4.000 . 5.000 3.282 3.117 3.407 . 0 0 "[ . 1 . 2]" 1
413 1 51 TYR QE 1 76 VAL QG 3.000 . 3.800 1.775 1.577 1.940 0.223 1 0 "[ . 1 . 2]" 1
414 1 51 TYR QD 1 78 VAL MG2 4.000 . 5.500 2.815 2.429 3.036 . 0 0 "[ . 1 . 2]" 1
415 1 51 TYR HA 1 52 VAL H 3.000 . 3.300 2.200 2.174 2.243 . 0 0 "[ . 1 . 2]" 1
416 1 51 TYR HB2 1 52 VAL H 4.000 . 5.000 4.340 4.201 4.522 . 0 0 "[ . 1 . 2]" 1
417 1 52 VAL H 1 52 VAL QG 3.000 . 3.800 2.171 1.874 2.777 . 0 0 "[ . 1 . 2]" 1
418 1 52 VAL H 1 53 LEU H 3.000 . 3.300 2.073 1.943 2.229 . 0 0 "[ . 1 . 2]" 1
419 1 51 TYR HB3 1 53 LEU H 4.000 . 5.000 4.033 3.393 4.341 . 0 0 "[ . 1 . 2]" 1
420 1 52 VAL HA 1 53 LEU H 4.000 . 5.000 3.520 3.371 3.591 . 0 0 "[ . 1 . 2]" 1
421 1 52 VAL HB 1 53 LEU H 4.000 . 5.000 3.816 2.621 4.326 . 0 0 "[ . 1 . 2]" 1
422 1 52 VAL QG 1 53 LEU H 4.000 . 5.500 2.508 1.925 3.409 . 0 0 "[ . 1 . 2]" 1
423 1 53 LEU H 1 53 LEU QD 4.000 . 5.500 3.641 3.415 3.826 . 0 0 "[ . 1 . 2]" 1
424 1 53 LEU MD2 1 55 GLY QA 4.000 . 5.500 3.959 3.471 4.095 . 0 0 "[ . 1 . 2]" 1
425 1 54 PRO HA 1 55 GLY H 3.000 . 3.300 2.219 2.208 2.239 . 0 0 "[ . 1 . 2]" 1
426 1 54 PRO QB 1 55 GLY H 4.000 . 5.000 3.459 3.232 3.643 . 0 0 "[ . 1 . 2]" 1
427 1 55 GLY H 1 78 VAL QG 4.000 . 5.500 3.021 2.581 3.203 . 0 0 "[ . 1 . 2]" 1
428 1 55 GLY H 1 78 VAL H 4.000 . 5.000 3.195 2.804 3.571 . 0 0 "[ . 1 . 2]" 1
429 1 55 GLY QA 1 56 ARG H 3.000 . 3.300 2.242 2.183 2.313 . 0 0 "[ . 1 . 2]" 1
430 1 55 GLY H 1 56 ARG H 4.000 . 5.000 4.332 4.239 4.406 . 0 0 "[ . 1 . 2]" 1
431 1 56 ARG QD 1 56 ARG HE 2.400 . 2.700 2.360 2.235 2.449 . 0 0 "[ . 1 . 2]" 1
432 1 56 ARG H 1 56 ARG QB 3.000 . 3.300 2.617 2.335 2.955 . 0 0 "[ . 1 . 2]" 1
433 1 56 ARG H 1 56 ARG QG 4.000 . 5.000 3.060 2.098 4.114 . 0 0 "[ . 1 . 2]" 1
434 1 34 GLY QA 1 57 TYR QD 4.000 . 5.000 3.906 3.772 4.002 . 0 0 "[ . 1 . 2]" 1
435 1 56 ARG QB 1 57 TYR HA 4.000 . 5.000 4.313 4.000 4.476 . 0 0 "[ . 1 . 2]" 1
436 1 56 ARG HA 1 57 TYR H 2.400 . 2.700 2.274 2.177 2.429 . 0 0 "[ . 1 . 2]" 1
437 1 56 ARG QB 1 57 TYR H 4.000 . 5.000 3.097 2.495 3.714 . 0 0 "[ . 1 . 2]" 1
438 1 56 ARG QG 1 57 TYR H 4.000 . 5.000 3.639 1.887 4.442 . 0 0 "[ . 1 . 2]" 1
439 1 57 TYR HA 1 57 TYR HB3 3.000 . 3.300 2.537 2.495 2.591 . 0 0 "[ . 1 . 2]" 1
440 1 57 TYR HB3 1 57 TYR QD 3.000 . 3.300 2.410 2.333 2.551 . 0 0 "[ . 1 . 2]" 1
441 1 57 TYR H 1 57 TYR HB3 4.000 . 5.000 3.741 3.651 3.846 . 0 0 "[ . 1 . 2]" 1
442 1 57 TYR H 1 57 TYR HB2 3.000 . 3.300 2.561 2.404 2.752 . 0 0 "[ . 1 . 2]" 1
443 1 57 TYR QD 1 76 VAL QG 4.000 . 5.500 2.293 1.994 2.637 . 0 0 "[ . 1 . 2]" 1
444 1 57 TYR H 1 76 VAL QG 4.000 . 5.500 2.791 2.522 3.476 . 0 0 "[ . 1 . 2]" 1
445 1 57 TYR H 1 76 VAL H 4.000 . 5.000 2.735 2.416 3.183 . 0 0 "[ . 1 . 2]" 1
446 1 57 TYR QD 1 78 VAL HB 4.000 . 5.000 3.348 2.547 3.770 . 0 0 "[ . 1 . 2]" 1
447 1 57 TYR QD 1 78 VAL MG2 4.000 . 5.500 2.429 1.873 3.127 . 0 0 "[ . 1 . 2]" 1
448 1 34 GLY QA 1 58 HIS H 4.000 . 5.000 4.308 3.971 4.480 . 0 0 "[ . 1 . 2]" 1
449 1 57 TYR HA 1 58 HIS H 3.000 . 3.300 2.374 2.289 2.465 . 0 0 "[ . 1 . 2]" 1
450 1 57 TYR HB3 1 58 HIS H 3.000 . 3.300 2.618 2.414 2.886 . 0 0 "[ . 1 . 2]" 1
451 1 57 TYR HB2 1 58 HIS H 4.000 . 5.000 3.824 3.653 4.007 . 0 0 "[ . 1 . 2]" 1
452 1 58 HIS HA 1 58 HIS HD2 4.000 . 5.000 4.329 3.747 4.684 . 0 0 "[ . 1 . 2]" 1
453 1 58 HIS H 1 58 HIS QB 3.000 . 3.300 2.459 2.369 2.562 . 0 0 "[ . 1 . 2]" 1
454 1 58 HIS H 1 59 VAL MG2 4.000 . 5.500 4.269 3.987 4.422 . 0 0 "[ . 1 . 2]" 1
455 1 58 HIS HD2 1 60 THR HB 4.000 . 5.000 4.519 3.862 4.890 . 0 0 "[ . 1 . 2]" 1
456 1 58 HIS HD2 1 60 THR MG 3.000 . 3.800 2.098 1.735 2.576 0.065 13 0 "[ . 1 . 2]" 1
457 1 58 HIS HE1 1 60 THR MG 4.000 . 5.500 4.238 3.815 4.621 . 0 0 "[ . 1 . 2]" 1
458 1 58 HIS HE1 1 73 GLY QA 4.000 . 5.000 3.744 2.861 4.445 . 0 0 "[ . 1 . 2]" 1
459 1 58 HIS HA 1 75 ASP HA 3.000 . 3.300 2.460 2.351 2.592 . 0 0 "[ . 1 . 2]" 1
460 1 58 HIS HA 1 75 ASP QB 4.000 . 5.000 3.797 3.086 4.434 . 0 0 "[ . 1 . 2]" 1
461 1 58 HIS HA 1 76 VAL QG 4.000 . 5.500 4.084 4.051 4.120 . 0 0 "[ . 1 . 2]" 1
462 1 18 PHE QE 1 59 VAL MG2 3.000 . 3.800 2.784 2.521 2.837 . 0 0 "[ . 1 . 2]" 1
463 1 18 PHE HZ 1 59 VAL MG2 4.000 . 5.500 2.974 2.739 3.136 . 0 0 "[ . 1 . 2]" 1
464 1 33 PHE HA 1 59 VAL MG2 4.000 . 5.500 2.914 2.754 3.326 . 0 0 "[ . 1 . 2]" 1
465 1 58 HIS HA 1 59 VAL H 2.400 . 2.700 2.220 2.180 2.373 . 0 0 "[ . 1 . 2]" 1
466 1 58 HIS QB 1 59 VAL H 4.000 . 5.000 3.755 3.474 3.907 . 0 0 "[ . 1 . 2]" 1
467 1 59 VAL HA 1 59 VAL MG1 3.000 . 3.800 2.317 2.198 2.353 . 0 0 "[ . 1 . 2]" 1
468 1 59 VAL HB 1 59 VAL MG1 2.400 . 3.200 2.148 2.142 2.153 . 0 0 "[ . 1 . 2]" 1
469 1 59 VAL H 1 59 VAL HB 2.400 . 2.700 2.570 2.477 2.796 0.096 2 0 "[ . 1 . 2]" 1
470 1 59 VAL H 1 59 VAL MG1 4.000 . 5.500 3.837 3.792 3.931 . 0 0 "[ . 1 . 2]" 1
471 1 59 VAL H 1 59 VAL MG2 2.400 . 3.200 2.623 2.477 2.691 . 0 0 "[ . 1 . 2]" 1
472 1 59 VAL MG1 1 61 ALA MB 4.000 . 6.000 3.544 3.385 3.716 . 0 0 "[ . 1 . 2]" 1
473 1 59 VAL MG1 1 72 LEU QD 4.000 . 6.000 3.209 3.007 3.516 . 0 0 "[ . 1 . 2]" 1
474 1 59 VAL MG1 1 74 THR MG 4.000 . 6.000 2.440 2.065 2.764 . 0 0 "[ . 1 . 2]" 1
475 1 59 VAL H 1 74 THR H 4.000 . 5.000 3.356 3.072 3.548 . 0 0 "[ . 1 . 2]" 1
476 1 59 VAL H 1 75 ASP HA 3.000 . 3.300 2.754 2.473 3.023 . 0 0 "[ . 1 . 2]" 1
477 1 59 VAL HB 1 76 VAL QG 4.000 . 5.500 4.050 3.554 4.174 . 0 0 "[ . 1 . 2]" 1
478 1 32 ASP HB3 1 60 THR HB 4.000 . 5.000 4.850 4.658 5.034 0.034 1 0 "[ . 1 . 2]" 1
479 1 59 VAL HA 1 60 THR H 2.400 . 2.700 2.286 2.234 2.336 . 0 0 "[ . 1 . 2]" 1
480 1 59 VAL MG1 1 60 THR H 3.000 . 3.800 2.147 2.039 2.295 . 0 0 "[ . 1 . 2]" 1
481 1 60 THR H 1 60 THR HA 3.000 . 3.300 2.950 2.942 2.958 . 0 0 "[ . 1 . 2]" 1
482 1 60 THR H 1 60 THR HB 4.000 . 5.000 3.964 3.789 3.993 . 0 0 "[ . 1 . 2]" 1
483 1 60 THR H 1 60 THR MG 3.000 . 3.800 2.433 2.079 2.722 . 0 0 "[ . 1 . 2]" 1
484 1 60 THR HA 1 72 LEU MD1 4.000 . 5.500 3.879 3.337 4.188 . 0 0 "[ . 1 . 2]" 1
485 1 60 THR HA 1 73 GLY QA 3.000 . 3.300 1.959 1.893 2.044 . 0 0 "[ . 1 . 2]" 1
486 1 60 THR HB 1 73 GLY QA 4.000 . 5.000 3.182 2.903 3.480 . 0 0 "[ . 1 . 2]" 1
487 1 60 THR MG 1 73 GLY QA 4.000 . 5.500 3.122 2.751 3.833 . 0 0 "[ . 1 . 2]" 1
488 1 20 ILE QG 1 61 ALA MB 4.000 . 5.500 2.922 2.448 3.235 . 0 0 "[ . 1 . 2]" 1
489 1 20 ILE MG 1 61 ALA MB 3.000 . 4.300 3.081 3.045 3.119 . 0 0 "[ . 1 . 2]" 1
490 1 60 THR HA 1 61 ALA H 2.400 . 2.700 2.422 2.377 2.459 . 0 0 "[ . 1 . 2]" 1
491 1 60 THR HB 1 61 ALA H 4.000 . 5.000 3.031 2.831 3.548 . 0 0 "[ . 1 . 2]" 1
492 1 61 ALA H 1 61 ALA MB 3.000 . 3.800 2.744 2.721 2.790 . 0 0 "[ . 1 . 2]" 1
493 1 61 ALA MB 1 72 LEU HA 4.000 . 5.500 3.978 3.929 4.042 . 0 0 "[ . 1 . 2]" 1
494 1 61 ALA MB 1 72 LEU QB 4.000 . 5.500 1.508 1.477 1.536 0.323 14 0 "[ . 1 . 2]" 1
495 1 61 ALA H 1 72 LEU H 4.000 . 5.000 2.310 2.177 2.435 . 0 0 "[ . 1 . 2]" 1
496 1 61 ALA HA 1 62 VAL H 3.000 . 3.300 2.299 2.148 2.401 . 0 0 "[ . 1 . 2]" 1
497 1 61 ALA MB 1 62 VAL H 3.000 . 3.800 2.749 2.518 3.270 . 0 0 "[ . 1 . 2]" 1
498 1 62 VAL H 1 62 VAL HB 3.000 . 3.300 3.226 2.948 3.390 0.090 6 0 "[ . 1 . 2]" 1
499 1 62 VAL H 1 62 VAL QG 2.400 . 3.200 2.177 1.852 2.387 . 0 0 "[ . 1 . 2]" 1
500 1 62 VAL H 1 63 LEU H 4.000 . 5.000 4.079 3.816 4.456 . 0 0 "[ . 1 . 2]" 1
501 1 62 VAL HA 1 71 LEU HA 3.000 . 3.300 2.669 2.320 3.110 . 0 0 "[ . 1 . 2]" 1
502 1 26 VAL HA 1 63 LEU MD1 4.000 . 5.500 4.568 4.400 4.645 . 0 0 "[ . 1 . 2]" 1
503 1 61 ALA MB 1 63 LEU MD2 3.000 . 4.300 2.662 2.453 2.920 . 0 0 "[ . 1 . 2]" 1
504 1 62 VAL HA 1 63 LEU H 2.400 . 2.700 2.227 2.197 2.264 . 0 0 "[ . 1 . 2]" 1
505 1 63 LEU H 1 63 LEU QB 3.000 . 3.300 2.739 2.391 2.988 . 0 0 "[ . 1 . 2]" 1
506 1 63 LEU H 1 71 LEU HA 4.000 . 5.000 3.928 3.677 4.081 . 0 0 "[ . 1 . 2]" 1
507 1 29 THR HA 1 64 ALA H 4.000 . 5.000 2.938 2.714 3.139 . 0 0 "[ . 1 . 2]" 1
508 1 63 LEU HA 1 64 ALA H 4.000 . 5.000 2.285 2.235 2.324 . 0 0 "[ . 1 . 2]" 1
509 1 64 ALA H 1 64 ALA MB 2.400 . 3.200 2.542 2.463 2.588 . 0 0 "[ . 1 . 2]" 1
510 1 64 ALA HA 1 69 SER HA 3.000 . 3.300 3.127 3.052 3.251 . 0 0 "[ . 1 . 2]" 1
511 1 64 ALA HA 1 69 SER QB 4.000 . 5.000 3.050 2.711 3.296 . 0 0 "[ . 1 . 2]" 1
512 1 64 ALA HA 1 65 LEU H 2.400 . 2.700 2.108 2.077 2.131 . 0 0 "[ . 1 . 2]" 1
513 1 64 ALA MB 1 65 LEU H 3.000 . 3.800 3.262 3.195 3.324 . 0 0 "[ . 1 . 2]" 1
514 1 65 LEU H 1 65 LEU QB 3.000 . 3.300 2.321 2.222 2.408 . 0 0 "[ . 1 . 2]" 1
515 1 65 LEU H 1 66 GLY H 4.000 . 5.000 2.031 1.960 2.075 . 0 0 "[ . 1 . 2]" 1
516 1 65 LEU H 1 69 SER HA 3.000 . 3.300 3.326 3.213 3.383 0.083 11 0 "[ . 1 . 2]" 1
517 1 65 LEU H 1 69 SER QB 4.000 . 5.000 3.844 3.612 4.034 . 0 0 "[ . 1 . 2]" 1
518 1 64 ALA MB 1 66 GLY H 3.000 . 3.800 3.257 3.232 3.295 . 0 0 "[ . 1 . 2]" 1
519 1 65 LEU HA 1 66 GLY H 3.000 . 3.300 3.377 3.360 3.389 0.089 4 0 "[ . 1 . 2]" 1
520 1 65 LEU QB 1 66 GLY H 3.000 . 3.300 3.093 3.054 3.156 . 0 0 "[ . 1 . 2]" 1
521 1 66 GLY QA 1 67 ALA H 3.000 . 3.300 2.614 2.211 2.683 . 0 0 "[ . 1 . 2]" 1
522 1 67 ALA H 1 67 ALA MB 2.400 . 3.200 2.440 2.306 2.894 . 0 0 "[ . 1 . 2]" 1
523 1 67 ALA H 1 68 GLY H 3.000 . 3.300 2.049 1.980 2.688 . 0 0 "[ . 1 . 2]" 1
524 1 65 LEU QD 1 68 GLY H 4.000 . 5.500 3.531 3.326 4.101 . 0 0 "[ . 1 . 2]" 1
525 1 67 ALA HA 1 68 GLY H 3.000 . 3.300 3.357 3.311 3.367 0.067 7 0 "[ . 1 . 2]" 1
526 1 67 ALA MB 1 68 GLY H 3.000 . 3.800 3.190 3.176 3.268 . 0 0 "[ . 1 . 2]" 1
527 1 62 VAL QG 1 69 SER QB 4.000 . 5.500 3.115 2.622 3.661 . 0 0 "[ . 1 . 2]" 1
528 1 63 LEU QB 1 69 SER HA 4.000 . 5.000 2.858 2.382 3.426 . 0 0 "[ . 1 . 2]" 1
529 1 63 LEU QD 1 69 SER HA 4.000 . 5.500 4.174 4.141 4.228 . 0 0 "[ . 1 . 2]" 1
530 1 64 ALA MB 1 69 SER HA 4.000 . 5.500 4.608 4.584 4.651 . 0 0 "[ . 1 . 2]" 1
531 1 64 ALA MB 1 69 SER QB 4.000 . 5.500 3.913 3.692 4.104 . 0 0 "[ . 1 . 2]" 1
532 1 68 GLY QA 1 69 SER H 3.000 . 3.300 2.275 2.221 2.300 . 0 0 "[ . 1 . 2]" 1
533 1 69 SER HA 1 69 SER HB3 3.000 . 3.300 2.677 2.587 2.845 . 0 0 "[ . 1 . 2]" 1
534 1 69 SER HA 1 69 SER HB2 3.000 . 3.300 2.321 2.253 2.373 . 0 0 "[ . 1 . 2]" 1
535 1 69 SER H 1 69 SER HB3 3.000 . 3.300 3.034 2.823 3.127 . 0 0 "[ . 1 . 2]" 1
536 1 69 SER H 1 69 SER HB2 4.000 . 5.000 3.965 3.898 3.983 . 0 0 "[ . 1 . 2]" 1
537 1 69 SER H 1 69 SER QB 3.000 . 3.300 2.942 2.760 3.015 . 0 0 "[ . 1 . 2]" 1
538 1 22 ALA MB 1 70 ALA MB 3.000 . 4.300 2.909 2.532 2.994 . 0 0 "[ . 1 . 2]" 1
539 1 63 LEU QB 1 70 ALA MB 3.000 . 3.800 2.542 1.923 2.897 . 0 0 "[ . 1 . 2]" 1
540 1 63 LEU MD1 1 70 ALA MB 3.000 . 4.300 2.235 1.630 3.084 0.170 9 0 "[ . 1 . 2]" 1
541 1 63 LEU MD2 1 70 ALA MB 3.000 . 4.300 2.598 1.931 2.980 . 0 0 "[ . 1 . 2]" 1
542 1 63 LEU QB 1 70 ALA H 3.000 . 3.300 2.575 1.956 2.975 . 0 0 "[ . 1 . 2]" 1
543 1 63 LEU MD1 1 70 ALA H 4.000 . 5.500 4.028 3.405 4.620 . 0 0 "[ . 1 . 2]" 1
544 1 69 SER HA 1 70 ALA H 3.000 . 3.300 2.531 2.395 2.623 . 0 0 "[ . 1 . 2]" 1
545 1 69 SER QB 1 70 ALA H 3.000 . 3.300 2.549 2.280 2.963 . 0 0 "[ . 1 . 2]" 1
546 1 70 ALA H 1 70 ALA HA 3.000 . 3.300 2.956 2.926 2.987 . 0 0 "[ . 1 . 2]" 1
547 1 70 ALA H 1 70 ALA MB 3.000 . 3.800 2.637 2.447 2.759 . 0 0 "[ . 1 . 2]" 1
548 1 70 ALA HA 1 71 LEU H 3.000 . 3.300 2.325 2.193 2.528 . 0 0 "[ . 1 . 2]" 1
549 1 71 LEU H 1 71 LEU QB 3.000 . 3.300 2.424 2.219 2.695 . 0 0 "[ . 1 . 2]" 1
550 1 3 LEU HA 1 72 LEU MD2 3.000 . 3.800 2.554 2.230 2.844 . 0 0 "[ . 1 . 2]" 1
551 1 61 ALA MB 1 72 LEU H 3.000 . 3.800 3.244 3.203 3.291 . 0 0 "[ . 1 . 2]" 1
552 1 71 LEU HA 1 72 LEU MD2 4.000 . 5.500 4.627 4.597 4.658 . 0 0 "[ . 1 . 2]" 1
553 1 71 LEU HA 1 72 LEU H 3.000 . 3.300 2.223 2.149 2.297 . 0 0 "[ . 1 . 2]" 1
554 1 72 LEU HA 1 72 LEU MD2 3.000 . 3.800 1.550 1.516 1.597 0.284 13 0 "[ . 1 . 2]" 1
555 1 72 LEU MD2 1 73 GLY QA 4.000 . 5.500 4.144 4.114 4.176 . 0 0 "[ . 1 . 2]" 1
556 1 72 LEU QD 1 73 GLY QA 4.000 . 5.500 3.401 3.104 3.639 . 0 0 "[ . 1 . 2]" 1
557 1 72 LEU HA 1 73 GLY H 2.400 . 2.700 2.334 2.301 2.374 . 0 0 "[ . 1 . 2]" 1
558 1 72 LEU QB 1 73 GLY H 3.000 . 3.300 2.990 2.946 3.026 . 0 0 "[ . 1 . 2]" 1
559 1 72 LEU QD 1 73 GLY H 3.000 . 3.800 1.949 1.792 2.097 0.008 8 0 "[ . 1 . 2]" 1
560 1 3 LEU QD 1 74 THR MG 3.000 . 4.300 1.890 1.691 2.749 0.109 9 0 "[ . 1 . 2]" 1
561 1 18 PHE QD 1 74 THR MG 3.000 . 3.800 2.748 2.571 2.862 . 0 0 "[ . 1 . 2]" 1
562 1 59 VAL HB 1 74 THR MG 3.000 . 3.800 2.401 1.990 2.812 . 0 0 "[ . 1 . 2]" 1
563 1 59 VAL HB 1 74 THR H 3.000 . 3.300 2.382 2.254 2.549 . 0 0 "[ . 1 . 2]" 1
564 1 59 VAL MG1 1 74 THR H 4.000 . 5.500 3.040 2.922 3.153 . 0 0 "[ . 1 . 2]" 1
565 1 60 THR HA 1 74 THR H 4.000 . 5.000 3.240 3.078 3.392 . 0 0 "[ . 1 . 2]" 1
566 1 72 LEU MD1 1 74 THR HB 4.000 . 5.500 4.090 3.758 4.289 . 0 0 "[ . 1 . 2]" 1
567 1 72 LEU MD1 1 74 THR H 4.000 . 5.500 3.313 2.957 3.632 . 0 0 "[ . 1 . 2]" 1
568 1 73 GLY QA 1 74 THR H 3.000 . 3.300 2.298 2.238 2.334 . 0 0 "[ . 1 . 2]" 1
569 1 74 THR HA 1 74 THR HB 3.000 . 3.300 2.277 2.252 2.314 . 0 0 "[ . 1 . 2]" 1
570 1 74 THR HA 1 74 THR MG 3.000 . 3.800 2.760 2.623 2.906 . 0 0 "[ . 1 . 2]" 1
571 1 74 THR H 1 74 THR HA 3.000 . 3.300 2.994 2.986 2.999 . 0 0 "[ . 1 . 2]" 1
572 1 74 THR H 1 74 THR HB 4.000 . 5.000 3.743 3.664 3.835 . 0 0 "[ . 1 . 2]" 1
573 1 74 THR H 1 74 THR MG 2.400 . 3.200 2.022 1.858 2.269 . 0 0 "[ . 1 . 2]" 1
574 1 58 HIS QB 1 75 ASP HA 4.000 . 5.000 4.445 4.353 4.489 . 0 0 "[ . 1 . 2]" 1
575 1 74 THR HA 1 75 ASP H 2.400 . 2.700 2.652 2.551 2.703 0.003 18 0 "[ . 1 . 2]" 1
576 1 74 THR HB 1 75 ASP H 4.000 . 5.000 2.532 2.304 2.831 . 0 0 "[ . 1 . 2]" 1
577 1 75 ASP H 1 75 ASP QB 3.000 . 3.300 2.762 2.490 3.015 . 0 0 "[ . 1 . 2]" 1
578 1 75 ASP HA 1 76 VAL QG 4.000 . 5.500 3.020 2.826 3.630 . 0 0 "[ . 1 . 2]" 1
579 1 75 ASP H 1 76 VAL QG 4.000 . 5.500 4.101 3.984 4.132 . 0 0 "[ . 1 . 2]" 1
580 1 51 TYR HB3 1 76 VAL MG1 4.000 . 5.500 4.693 4.152 4.836 . 0 0 "[ . 1 . 2]" 1
581 1 57 TYR HB3 1 76 VAL MG1 3.000 . 3.800 3.128 2.877 3.228 . 0 0 "[ . 1 . 2]" 1
582 1 57 TYR HB2 1 76 VAL MG1 4.000 . 5.500 1.838 1.753 1.900 0.047 19 0 "[ . 1 . 2]" 1
583 1 57 TYR HB3 1 76 VAL MG2 4.000 . 5.500 4.238 3.722 4.475 . 0 0 "[ . 1 . 2]" 1
584 1 57 TYR HB2 1 76 VAL MG2 4.000 . 5.500 2.952 2.591 3.419 . 0 0 "[ . 1 . 2]" 1
585 1 57 TYR HB2 1 76 VAL H 4.000 . 5.000 3.398 3.184 4.024 . 0 0 "[ . 1 . 2]" 1
586 1 58 HIS HA 1 76 VAL H 4.000 . 5.000 3.733 3.064 3.919 . 0 0 "[ . 1 . 2]" 1
587 1 75 ASP HA 1 76 VAL H 2.400 . 2.700 2.360 2.283 2.421 . 0 0 "[ . 1 . 2]" 1
588 1 75 ASP QB 1 76 VAL H 4.000 . 5.000 3.118 2.598 3.676 . 0 0 "[ . 1 . 2]" 1
589 1 76 VAL HA 1 76 VAL MG1 3.000 . 3.800 2.928 2.501 3.049 . 0 0 "[ . 1 . 2]" 1
590 1 76 VAL H 1 76 VAL HB 4.000 . 5.000 3.518 2.614 3.801 . 0 0 "[ . 1 . 2]" 1
591 1 76 VAL H 1 76 VAL MG2 3.000 . 3.800 3.258 3.139 3.316 . 0 0 "[ . 1 . 2]" 1
592 1 76 VAL HA 1 77 GLN H 2.400 . 2.700 2.280 2.214 2.359 . 0 0 "[ . 1 . 2]" 1
593 1 76 VAL QG 1 77 GLN H 4.000 . 5.500 2.245 1.950 2.547 . 0 0 "[ . 1 . 2]" 1
594 1 77 GLN H 1 77 GLN QB 3.000 . 3.300 2.539 2.252 2.967 . 0 0 "[ . 1 . 2]" 1
595 1 77 GLN HA 1 78 VAL MG2 4.000 . 5.500 4.193 3.985 4.346 . 0 0 "[ . 1 . 2]" 1
596 1 77 GLN H 1 78 VAL H 4.000 . 5.000 3.896 3.788 4.043 . 0 0 "[ . 1 . 2]" 1
597 1 10 LEU QB 1 78 VAL MG2 3.000 . 3.800 1.896 1.697 2.285 0.103 17 0 "[ . 1 . 2]" 1
598 1 11 ALA HA 1 78 VAL MG1 4.000 . 5.500 2.905 2.574 3.252 . 0 0 "[ . 1 . 2]" 1
599 1 51 TYR HB3 1 78 VAL MG1 4.000 . 5.500 2.937 2.535 3.282 . 0 0 "[ . 1 . 2]" 1
600 1 51 TYR HB2 1 78 VAL MG1 4.000 . 5.500 3.553 3.307 4.004 . 0 0 "[ . 1 . 2]" 1
601 1 51 TYR HB3 1 78 VAL MG2 4.000 . 5.500 1.920 1.753 2.368 0.047 13 0 "[ . 1 . 2]" 1
602 1 51 TYR HB2 1 78 VAL MG2 3.000 . 3.800 2.307 2.133 2.605 . 0 0 "[ . 1 . 2]" 1
603 1 54 PRO HA 1 78 VAL HB 4.000 . 5.000 2.997 2.364 3.672 . 0 0 "[ . 1 . 2]" 1
604 1 54 PRO HA 1 78 VAL MG1 3.000 . 3.800 2.120 1.815 2.631 . 0 0 "[ . 1 . 2]" 1
605 1 56 ARG HA 1 78 VAL MG2 4.000 . 5.500 4.538 4.385 4.619 . 0 0 "[ . 1 . 2]" 1
606 1 76 VAL QG 1 78 VAL H 4.000 . 5.500 2.759 2.511 3.315 . 0 0 "[ . 1 . 2]" 1
607 1 77 GLN HA 1 78 VAL H 2.400 . 2.700 2.298 2.226 2.370 . 0 0 "[ . 1 . 2]" 1
608 1 77 GLN QB 1 78 VAL H 4.000 . 5.000 3.898 3.697 4.044 . 0 0 "[ . 1 . 2]" 1
609 1 78 VAL HA 1 78 VAL MG2 3.000 . 3.800 2.194 2.095 2.354 . 0 0 "[ . 1 . 2]" 1
610 1 78 VAL H 1 78 VAL MG2 2.400 . 3.200 2.570 2.230 2.719 . 0 0 "[ . 1 . 2]" 1
611 1 10 LEU QB 1 79 GLU H 4.000 . 5.000 3.841 3.629 4.038 . 0 0 "[ . 1 . 2]" 1
612 1 11 ALA HA 1 79 GLU H 3.000 . 3.300 2.521 2.276 2.867 . 0 0 "[ . 1 . 2]" 1
613 1 11 ALA MB 1 79 GLU H 4.000 . 5.500 4.167 3.973 4.470 . 0 0 "[ . 1 . 2]" 1
614 1 12 SER H 1 79 GLU H 4.000 . 5.000 3.924 3.712 4.172 . 0 0 "[ . 1 . 2]" 1
615 1 78 VAL HA 1 79 GLU H 2.400 . 2.700 2.223 2.189 2.265 . 0 0 "[ . 1 . 2]" 1
616 1 79 GLU H 1 79 GLU QB 3.000 . 3.300 2.666 2.508 2.832 . 0 0 "[ . 1 . 2]" 1
617 1 79 GLU H 1 79 GLU QG 3.000 . 3.300 2.460 2.031 2.794 . 0 0 "[ . 1 . 2]" 1
618 1 79 GLU HA 1 80 ALA H 3.000 . 3.300 2.617 2.248 3.025 . 0 0 "[ . 1 . 2]" 1
619 1 79 GLU QB 1 80 ALA H 3.000 . 3.300 2.309 1.794 2.958 0.006 9 0 "[ . 1 . 2]" 1
620 1 80 ALA H 1 80 ALA HA 3.000 . 3.300 2.910 2.325 2.991 . 0 0 "[ . 1 . 2]" 1
621 1 80 ALA H 1 80 ALA MB 2.400 . 3.200 2.468 2.150 2.825 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 78
_Distance_constraint_stats_list.Viol_count 874
_Distance_constraint_stats_list.Viol_total 2786.668
_Distance_constraint_stats_list.Viol_max 2.286
_Distance_constraint_stats_list.Viol_rms 0.3454
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0893
_Distance_constraint_stats_list.Viol_average_violations_only 0.1594
_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 2 THR 6.884 0.247 14 0 "[ . 1 . 2]"
1 4 VAL 3.290 0.222 2 0 "[ . 1 . 2]"
1 6 PRO 4.696 0.220 12 0 "[ . 1 . 2]"
1 10 LEU 0.520 0.084 12 0 "[ . 1 . 2]"
1 12 SER 1.447 0.100 9 0 "[ . 1 . 2]"
1 14 GLN 2.080 0.132 7 0 "[ . 1 . 2]"
1 16 ALA 1.527 0.079 20 0 "[ . 1 . 2]"
1 17 ALA 4.696 0.220 12 0 "[ . 1 . 2]"
1 18 PHE 0.759 0.062 4 0 "[ . 1 . 2]"
1 19 HIS 3.290 0.222 2 0 "[ . 1 . 2]"
1 20 ILE 0.010 0.005 3 0 "[ . 1 . 2]"
1 21 ALA 6.884 0.247 14 0 "[ . 1 . 2]"
1 22 ALA 1.369 0.122 6 0 "[ . 1 . 2]"
1 24 LEU 1.369 0.122 6 0 "[ . 1 . 2]"
1 27 THR 0.189 0.043 1 0 "[ . 1 . 2]"
1 28 ALA 1.123 0.080 3 0 "[ . 1 . 2]"
1 29 THR 1.213 0.073 18 0 "[ . 1 . 2]"
1 30 ARG 0.785 0.067 11 0 "[ . 1 . 2]"
1 31 TRP 3.725 0.116 13 0 "[ . 1 . 2]"
1 32 ASP 1.726 0.122 17 0 "[ . 1 . 2]"
1 33 PHE 3.545 0.223 3 0 "[ . 1 . 2]"
1 34 GLY 1.451 0.081 17 0 "[ . 1 . 2]"
1 35 ASP 87.827 2.286 7 20 [******+*********-***]
1 37 SER 89.278 2.286 7 20 [******+*********-***]
1 38 ALA 3.545 0.223 3 0 "[ . 1 . 2]"
1 40 VAL 3.725 0.116 13 0 "[ . 1 . 2]"
1 42 ALA 1.213 0.073 18 0 "[ . 1 . 2]"
1 43 ALA 5.616 0.187 13 0 "[ . 1 . 2]"
1 44 GLY 0.189 0.043 1 0 "[ . 1 . 2]"
1 45 PRO 0.010 0.005 3 0 "[ . 1 . 2]"
1 46 ALA 5.616 0.187 13 0 "[ . 1 . 2]"
1 47 ALA 0.759 0.062 4 0 "[ . 1 . 2]"
1 49 HIS 1.527 0.079 20 0 "[ . 1 . 2]"
1 51 TYR 2.080 0.132 7 0 "[ . 1 . 2]"
1 53 LEU 2.014 0.124 16 0 "[ . 1 . 2]"
1 55 GLY 1.130 0.050 6 0 "[ . 1 . 2]"
1 57 TYR 3.172 0.124 16 0 "[ . 1 . 2]"
1 59 VAL 1.696 0.078 20 0 "[ . 1 . 2]"
1 60 THR 1.726 0.122 17 0 "[ . 1 . 2]"
1 61 ALA 3.016 0.149 11 0 "[ . 1 . 2]"
1 62 VAL 0.785 0.067 11 0 "[ . 1 . 2]"
1 63 LEU 0.430 0.049 1 0 "[ . 1 . 2]"
1 64 ALA 1.123 0.080 3 0 "[ . 1 . 2]"
1 65 LEU 0.110 0.023 5 0 "[ . 1 . 2]"
1 68 GLY 0.110 0.023 5 0 "[ . 1 . 2]"
1 70 ALA 0.430 0.049 1 0 "[ . 1 . 2]"
1 72 LEU 3.016 0.149 11 0 "[ . 1 . 2]"
1 74 THR 1.696 0.078 20 0 "[ . 1 . 2]"
1 76 VAL 1.159 0.097 12 0 "[ . 1 . 2]"
1 78 VAL 1.130 0.050 6 0 "[ . 1 . 2]"
1 79 GLU 1.967 0.100 9 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 2 THR H 1 21 ALA O 1.900 . 2.000 1.738 1.712 1.767 0.088 17 0 "[ . 1 . 2]" 2
2 1 2 THR N 1 21 ALA O 2.900 2.700 3.000 2.679 2.615 2.719 0.085 14 0 "[ . 1 . 2]" 2
3 1 4 VAL H 1 19 HIS O 1.900 . 2.000 2.127 2.032 2.222 0.222 2 0 "[ . 1 . 2]" 2
4 1 4 VAL N 1 19 HIS O 2.900 2.700 3.000 2.925 2.831 3.001 0.001 11 0 "[ . 1 . 2]" 2
5 1 12 SER H 1 79 GLU O 1.900 . 2.000 2.037 1.950 2.100 0.100 9 0 "[ . 1 . 2]" 2
6 1 12 SER N 1 79 GLU O 2.900 2.700 3.000 2.684 2.635 2.807 0.065 9 0 "[ . 1 . 2]" 2
7 1 14 GLN H 1 51 TYR O 1.900 . 2.000 1.976 1.857 2.028 0.028 17 0 "[ . 1 . 2]" 2
8 1 14 GLN N 1 51 TYR O 2.900 2.700 3.000 2.784 2.742 2.824 . 0 0 "[ . 1 . 2]" 2
9 1 16 ALA H 1 49 HIS O 1.900 . 2.000 2.042 1.984 2.067 0.067 13 0 "[ . 1 . 2]" 2
10 1 16 ALA N 1 49 HIS O 2.900 2.700 3.000 2.770 2.712 2.832 . 0 0 "[ . 1 . 2]" 2
11 1 6 PRO O 1 17 ALA H 1.900 . 2.000 2.186 2.167 2.220 0.220 12 0 "[ . 1 . 2]" 2
12 1 6 PRO O 1 17 ALA N 2.900 2.700 3.000 3.047 2.980 3.097 0.097 12 0 "[ . 1 . 2]" 2
13 1 18 PHE H 1 47 ALA O 1.900 . 2.000 1.985 1.898 2.056 0.056 14 0 "[ . 1 . 2]" 2
14 1 18 PHE N 1 47 ALA O 2.900 2.700 3.000 2.714 2.657 2.779 0.043 18 0 "[ . 1 . 2]" 2
15 1 4 VAL O 1 19 HIS H 1.900 . 2.000 1.893 1.802 2.016 0.016 6 0 "[ . 1 . 2]" 2
16 1 4 VAL O 1 19 HIS N 2.900 2.700 3.000 2.663 2.636 2.695 0.064 19 0 "[ . 1 . 2]" 2
17 1 20 ILE H 1 45 PRO O 1.900 . 2.000 1.895 1.814 2.005 0.005 3 0 "[ . 1 . 2]" 2
18 1 20 ILE N 1 45 PRO O 2.900 2.700 3.000 2.796 2.745 2.876 . 0 0 "[ . 1 . 2]" 2
19 1 2 THR O 1 21 ALA H 1.900 . 2.000 2.194 2.157 2.247 0.247 14 0 "[ . 1 . 2]" 2
20 1 2 THR O 1 21 ALA N 2.900 2.700 3.000 3.066 3.040 3.104 0.104 14 0 "[ . 1 . 2]" 2
21 1 22 ALA O 1 24 LEU H 1.900 . 2.000 2.068 1.998 2.122 0.122 6 0 "[ . 1 . 2]" 2
22 1 22 ALA O 1 24 LEU N 2.900 2.700 3.000 2.836 2.813 2.871 . 0 0 "[ . 1 . 2]" 2
23 1 29 THR H 1 42 ALA O 1.900 . 2.000 2.050 2.035 2.073 0.073 18 0 "[ . 1 . 2]" 2
24 1 29 THR N 1 42 ALA O 2.900 2.700 3.000 2.980 2.939 3.016 0.016 19 0 "[ . 1 . 2]" 2
25 1 30 ARG H 1 62 VAL O 1.900 . 2.000 1.888 1.741 1.999 0.059 14 0 "[ . 1 . 2]" 2
26 1 30 ARG N 1 62 VAL O 2.900 2.700 3.000 2.735 2.662 2.834 0.038 11 0 "[ . 1 . 2]" 2
27 1 31 TRP H 1 40 VAL O 1.900 . 2.000 2.070 1.987 2.114 0.114 19 0 "[ . 1 . 2]" 2
28 1 31 TRP N 1 40 VAL O 2.900 2.700 3.000 2.780 2.750 2.815 . 0 0 "[ . 1 . 2]" 2
29 1 32 ASP H 1 60 THR O 1.900 . 2.000 2.083 2.034 2.122 0.122 17 0 "[ . 1 . 2]" 2
30 1 32 ASP N 1 60 THR O 2.900 2.700 3.000 2.707 2.676 2.750 0.024 8 0 "[ . 1 . 2]" 2
31 1 33 PHE H 1 38 ALA O 1.900 . 2.000 2.175 2.139 2.223 0.223 3 0 "[ . 1 . 2]" 2
32 1 33 PHE N 1 38 ALA O 2.900 2.700 3.000 2.944 2.893 3.023 0.023 3 0 "[ . 1 . 2]" 2
33 1 34 GLY H 1 37 SER O 1.900 . 2.000 2.059 2.048 2.081 0.081 17 0 "[ . 1 . 2]" 2
34 1 34 GLY N 1 37 SER O 2.900 2.700 3.000 3.008 2.940 3.037 0.037 10 0 "[ . 1 . 2]" 2
35 1 35 ASP OD2 1 37 SER H 1.900 . 2.000 4.214 4.152 4.286 2.286 7 20 [******+***-*********] 2
36 1 35 ASP OD2 1 37 SER N 2.900 2.700 3.000 5.177 5.122 5.238 2.238 10 20 [*********+******-***] 2
37 1 31 TRP O 1 40 VAL H 1.900 . 2.000 2.080 2.059 2.116 0.116 13 0 "[ . 1 . 2]" 2
38 1 31 TRP O 1 40 VAL N 2.900 2.700 3.000 2.665 2.642 2.694 0.058 17 0 "[ . 1 . 2]" 2
39 1 29 THR O 1 42 ALA H 1.900 . 2.000 1.971 1.872 2.038 0.038 14 0 "[ . 1 . 2]" 2
40 1 29 THR O 1 42 ALA N 2.900 2.700 3.000 2.883 2.800 2.941 . 0 0 "[ . 1 . 2]" 2
41 1 27 THR O 1 44 GLY H 1.900 . 2.000 1.982 1.873 2.043 0.043 1 0 "[ . 1 . 2]" 2
42 1 27 THR O 1 44 GLY N 2.900 2.700 3.000 2.896 2.750 2.999 . 0 0 "[ . 1 . 2]" 2
43 1 43 ALA O 1 46 ALA H 1.900 . 2.000 2.170 2.145 2.187 0.187 13 0 "[ . 1 . 2]" 2
44 1 43 ALA O 1 46 ALA N 2.900 2.700 3.000 3.111 3.078 3.134 0.134 13 0 "[ . 1 . 2]" 2
45 1 18 PHE O 1 47 ALA H 1.900 . 2.000 2.003 1.921 2.062 0.062 4 0 "[ . 1 . 2]" 2
46 1 18 PHE O 1 47 ALA N 2.900 2.700 3.000 2.974 2.864 3.044 0.044 4 0 "[ . 1 . 2]" 2
47 1 16 ALA O 1 49 HIS H 1.900 . 2.000 1.850 1.721 2.010 0.079 20 0 "[ . 1 . 2]" 2
48 1 16 ALA O 1 49 HIS N 2.900 2.700 3.000 2.687 2.647 2.749 0.053 19 0 "[ . 1 . 2]" 2
49 1 14 GLN O 1 51 TYR H 1.900 . 2.000 2.098 2.064 2.132 0.132 7 0 "[ . 1 . 2]" 2
50 1 14 GLN O 1 51 TYR N 2.900 2.700 3.000 2.916 2.846 2.984 . 0 0 "[ . 1 . 2]" 2
51 1 53 LEU H 1 57 TYR OH 1.900 . 2.000 2.101 2.045 2.124 0.124 16 0 "[ . 1 . 2]" 2
52 1 53 LEU N 1 57 TYR OH 2.900 2.700 3.000 2.820 2.778 2.871 . 0 0 "[ . 1 . 2]" 2
53 1 55 GLY H 1 78 VAL O 1.900 . 2.000 2.027 1.952 2.050 0.050 6 0 "[ . 1 . 2]" 2
54 1 55 GLY N 1 78 VAL O 2.900 2.700 3.000 2.790 2.702 2.915 . 0 0 "[ . 1 . 2]" 2
55 1 57 TYR H 1 76 VAL O 1.900 . 2.000 1.956 1.809 2.037 0.037 11 0 "[ . 1 . 2]" 2
56 1 57 TYR N 1 76 VAL O 2.900 2.700 3.000 2.860 2.725 2.939 . 0 0 "[ . 1 . 2]" 2
57 1 59 VAL H 1 74 THR O 1.900 . 2.000 1.795 1.745 1.884 0.055 8 0 "[ . 1 . 2]" 2
58 1 59 VAL N 1 74 THR O 2.900 2.700 3.000 2.727 2.669 2.801 0.031 9 0 "[ . 1 . 2]" 2
59 1 61 ALA H 1 72 LEU O 1.900 . 2.000 2.110 2.071 2.149 0.149 11 0 "[ . 1 . 2]" 2
60 1 61 ALA N 1 72 LEU O 2.900 2.700 3.000 2.998 2.973 3.012 0.012 11 0 "[ . 1 . 2]" 2
61 1 30 ARG O 1 62 VAL H 1.900 . 2.000 1.957 1.733 2.055 0.067 11 0 "[ . 1 . 2]" 2
62 1 30 ARG O 1 62 VAL N 2.900 2.700 3.000 2.719 2.676 2.769 0.024 1 0 "[ . 1 . 2]" 2
63 1 63 LEU H 1 70 ALA O 1.900 . 2.000 2.010 1.904 2.049 0.049 1 0 "[ . 1 . 2]" 2
64 1 63 LEU N 1 70 ALA O 2.900 2.700 3.000 2.935 2.811 2.986 . 0 0 "[ . 1 . 2]" 2
65 1 28 ALA O 1 64 ALA H 1.900 . 2.000 2.050 2.019 2.080 0.080 3 0 "[ . 1 . 2]" 2
66 1 28 ALA O 1 64 ALA N 2.900 2.700 3.000 2.964 2.839 3.028 0.028 17 0 "[ . 1 . 2]" 2
67 1 65 LEU H 1 68 GLY O 1.900 . 2.000 1.998 1.960 2.023 0.023 5 0 "[ . 1 . 2]" 2
68 1 65 LEU N 1 68 GLY O 2.900 2.700 3.000 2.919 2.866 2.962 . 0 0 "[ . 1 . 2]" 2
69 1 61 ALA O 1 72 LEU H 1.900 . 2.000 1.835 1.756 1.959 0.044 12 0 "[ . 1 . 2]" 2
70 1 61 ALA O 1 72 LEU N 2.900 2.700 3.000 2.673 2.619 2.737 0.081 4 0 "[ . 1 . 2]" 2
71 1 59 VAL O 1 74 THR H 1.900 . 2.000 2.055 2.044 2.078 0.078 20 0 "[ . 1 . 2]" 2
72 1 59 VAL O 1 74 THR N 2.900 2.700 3.000 2.725 2.681 2.794 0.019 17 0 "[ . 1 . 2]" 2
73 1 57 TYR O 1 76 VAL H 1.900 . 2.000 2.050 2.008 2.097 0.097 12 0 "[ . 1 . 2]" 2
74 1 57 TYR O 1 76 VAL N 2.900 2.700 3.000 2.966 2.839 3.021 0.021 4 0 "[ . 1 . 2]" 2
75 1 55 GLY O 1 78 VAL H 1.900 . 2.000 2.015 1.965 2.042 0.042 3 0 "[ . 1 . 2]" 2
76 1 55 GLY O 1 78 VAL N 2.900 2.700 3.000 2.707 2.666 2.793 0.034 10 0 "[ . 1 . 2]" 2
77 1 10 LEU O 1 79 GLU H 1.900 . 2.000 2.023 1.946 2.084 0.084 12 0 "[ . 1 . 2]" 2
78 1 10 LEU O 1 79 GLU N 2.900 2.700 3.000 2.925 2.851 2.967 . 0 0 "[ . 1 . 2]" 2
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