NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
466344 |
2rqh   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rqh
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 1308
_Distance_constraint_stats_list.Viol_count 1581
_Distance_constraint_stats_list.Viol_total 857.615
_Distance_constraint_stats_list.Viol_max 0.336
_Distance_constraint_stats_list.Viol_rms 0.0106
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0016
_Distance_constraint_stats_list.Viol_average_violations_only 0.0271
_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 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 PRO 0.092 0.068 19 0 "[ . 1 . 2]"
1 4 PHE 4.987 0.251 11 0 "[ . 1 . 2]"
1 5 VAL 2.437 0.209 20 0 "[ . 1 . 2]"
1 6 PRO 3.072 0.251 11 0 "[ . 1 . 2]"
1 7 ASN 0.034 0.011 16 0 "[ . 1 . 2]"
1 8 VAL 2.824 0.157 19 0 "[ . 1 . 2]"
1 9 HIS 0.950 0.336 5 0 "[ . 1 . 2]"
1 10 ALA 1.824 0.116 14 0 "[ . 1 . 2]"
1 11 ALA 0.407 0.268 18 0 "[ . 1 . 2]"
1 12 GLU 0.446 0.268 18 0 "[ . 1 . 2]"
1 13 PHE 3.004 0.200 14 0 "[ . 1 . 2]"
1 14 VAL 0.448 0.200 14 0 "[ . 1 . 2]"
1 17 PHE 3.660 0.168 4 0 "[ . 1 . 2]"
1 18 LEU 1.803 0.186 19 0 "[ . 1 . 2]"
1 19 ARG 1.085 0.236 19 0 "[ . 1 . 2]"
1 20 GLY 0.541 0.236 19 0 "[ . 1 . 2]"
1 21 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 GLN 0.227 0.053 2 0 "[ . 1 . 2]"
2 3 GLU 0.597 0.168 19 0 "[ . 1 . 2]"
2 4 PRO 0.452 0.124 2 0 "[ . 1 . 2]"
2 5 LEU 1.248 0.167 9 0 "[ . 1 . 2]"
2 6 THR 0.576 0.076 17 0 "[ . 1 . 2]"
2 7 ALA 0.041 0.018 8 0 "[ . 1 . 2]"
2 8 SER 0.080 0.064 17 0 "[ . 1 . 2]"
2 9 MET 0.624 0.076 17 0 "[ . 1 . 2]"
2 10 LEU 0.413 0.070 8 0 "[ . 1 . 2]"
2 11 ALA 0.177 0.064 17 0 "[ . 1 . 2]"
2 12 SER 0.084 0.075 17 0 "[ . 1 . 2]"
2 13 ALA 0.177 0.024 20 0 "[ . 1 . 2]"
2 14 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 15 PRO 0.066 0.028 5 0 "[ . 1 . 2]"
2 16 GLN 0.092 0.032 10 0 "[ . 1 . 2]"
2 17 GLU 1.080 0.301 18 0 "[ . 1 . 2]"
2 18 GLN 0.192 0.028 5 0 "[ . 1 . 2]"
2 19 LYS 0.069 0.025 20 0 "[ . 1 . 2]"
2 20 GLN 0.945 0.081 8 0 "[ . 1 . 2]"
2 21 MET 0.507 0.152 8 0 "[ . 1 . 2]"
2 22 LEU 0.525 0.152 8 0 "[ . 1 . 2]"
2 23 GLY 0.061 0.021 10 0 "[ . 1 . 2]"
2 24 GLU 0.084 0.026 14 0 "[ . 1 . 2]"
2 25 ARG 2.332 0.167 9 0 "[ . 1 . 2]"
2 26 LEU 0.071 0.015 19 0 "[ . 1 . 2]"
2 27 PHE 0.938 0.146 9 0 "[ . 1 . 2]"
2 28 PRO 0.011 0.006 2 0 "[ . 1 . 2]"
2 29 LEU 0.971 0.057 3 0 "[ . 1 . 2]"
2 30 ILE 1.402 0.069 1 0 "[ . 1 . 2]"
2 31 GLN 0.649 0.046 6 0 "[ . 1 . 2]"
2 32 ALA 1.240 0.131 11 0 "[ . 1 . 2]"
2 33 MET 0.229 0.018 16 0 "[ . 1 . 2]"
2 34 HIS 0.691 0.043 1 0 "[ . 1 . 2]"
2 35 PRO 1.408 0.131 11 0 "[ . 1 . 2]"
2 36 THR 0.573 0.040 19 0 "[ . 1 . 2]"
2 37 LEU 1.966 0.060 4 0 "[ . 1 . 2]"
2 38 ALA 0.874 0.057 3 0 "[ . 1 . 2]"
2 40 LYS 0.471 0.047 4 0 "[ . 1 . 2]"
2 41 ILE 3.742 0.092 1 0 "[ . 1 . 2]"
2 42 THR 1.548 0.060 8 0 "[ . 1 . 2]"
2 43 GLY 0.419 0.062 12 0 "[ . 1 . 2]"
2 44 MET 5.481 0.130 18 0 "[ . 1 . 2]"
2 45 LEU 1.290 0.082 12 0 "[ . 1 . 2]"
2 46 LEU 0.290 0.062 12 0 "[ . 1 . 2]"
2 47 GLU 0.242 0.082 12 0 "[ . 1 . 2]"
2 48 ILE 0.428 0.051 15 0 "[ . 1 . 2]"
2 49 ASP 0.377 0.030 13 0 "[ . 1 . 2]"
2 50 ASN 0.083 0.020 3 0 "[ . 1 . 2]"
2 51 SER 0.118 0.015 4 0 "[ . 1 . 2]"
2 52 GLU 0.358 0.030 14 0 "[ . 1 . 2]"
2 53 LEU 0.579 0.024 14 0 "[ . 1 . 2]"
2 54 LEU 0.141 0.030 14 0 "[ . 1 . 2]"
2 55 HIS 0.091 0.050 15 0 "[ . 1 . 2]"
2 56 MET 0.676 0.077 15 0 "[ . 1 . 2]"
2 57 LEU 0.096 0.030 8 0 "[ . 1 . 2]"
2 58 GLU 0.168 0.050 15 0 "[ . 1 . 2]"
2 59 SER 0.068 0.017 2 0 "[ . 1 . 2]"
2 60 PRO 0.024 0.010 2 0 "[ . 1 . 2]"
2 61 GLU 0.020 0.016 20 0 "[ . 1 . 2]"
2 62 SER 0.114 0.027 2 0 "[ . 1 . 2]"
2 63 LEU 0.700 0.047 15 0 "[ . 1 . 2]"
2 64 ARG 1.159 0.085 20 0 "[ . 1 . 2]"
2 65 SER 0.536 0.085 20 0 "[ . 1 . 2]"
2 66 LYS 0.180 0.049 17 0 "[ . 1 . 2]"
2 67 VAL 1.572 0.056 17 0 "[ . 1 . 2]"
2 68 ASP 0.628 0.045 13 0 "[ . 1 . 2]"
2 69 GLU 0.213 0.047 20 0 "[ . 1 . 2]"
2 70 ALA 1.139 0.157 19 0 "[ . 1 . 2]"
2 71 VAL 1.437 0.089 19 0 "[ . 1 . 2]"
2 72 ALA 0.056 0.038 3 0 "[ . 1 . 2]"
2 73 VAL 4.059 0.209 19 0 "[ . 1 . 2]"
2 74 LEU 1.071 0.074 3 0 "[ . 1 . 2]"
2 75 GLN 0.566 0.073 16 0 "[ . 1 . 2]"
2 76 ALA 0.057 0.057 17 0 "[ . 1 . 2]"
2 77 HIS 0.433 0.072 15 0 "[ . 1 . 2]"
2 78 GLN 0.337 0.072 15 0 "[ . 1 . 2]"
2 79 ALA 0.037 0.017 16 0 "[ . 1 . 2]"
2 80 LYS 0.023 0.009 8 0 "[ . 1 . 2]"
2 81 GLU 0.025 0.009 8 0 "[ . 1 . 2]"
2 82 ALA 0.002 0.001 19 0 "[ . 1 . 2]"
2 83 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 36 THR HB 2 37 LEU HB2 . . 4.470 4.360 4.289 4.435 . 0 0 "[ . 1 . 2]" 1
2 2 42 THR HA 2 45 LEU HB2 . . 4.150 2.559 2.426 2.774 . 0 0 "[ . 1 . 2]" 1
3 2 30 ILE MD 2 42 THR HA . . 3.720 2.938 2.778 3.074 . 0 0 "[ . 1 . 2]" 1
4 2 42 THR HA 2 45 LEU HB3 . . 4.630 3.776 3.596 4.022 . 0 0 "[ . 1 . 2]" 1
5 2 70 ALA MB 2 71 VAL HA . . 4.260 3.728 3.623 3.771 . 0 0 "[ . 1 . 2]" 1
6 2 71 VAL HA 2 74 LEU HB3 . . 4.510 3.723 3.050 4.171 . 0 0 "[ . 1 . 2]" 1
7 2 60 PRO HA 2 63 LEU MD2 . . 4.210 3.178 2.872 3.757 . 0 0 "[ . 1 . 2]" 1
8 2 41 ILE HA 2 41 ILE MD . . 4.250 4.154 4.146 4.161 . 0 0 "[ . 1 . 2]" 1
9 2 30 ILE HA 2 30 ILE MD . . 4.050 3.874 3.868 3.884 . 0 0 "[ . 1 . 2]" 1
10 2 27 PHE HA 2 30 ILE HB . . 4.280 4.096 4.051 4.168 . 0 0 "[ . 1 . 2]" 1
11 2 27 PHE HA 2 42 THR MG . . 4.400 3.371 2.963 3.705 . 0 0 "[ . 1 . 2]" 1
12 2 7 ALA MB 2 8 SER QB . . 4.770 4.091 3.801 4.630 . 0 0 "[ . 1 . 2]" 1
13 2 8 SER QB 2 11 ALA MB . . 5.370 4.731 4.340 5.434 0.064 17 0 "[ . 1 . 2]" 1
14 2 65 SER HA 2 68 ASP HB3 . . 4.230 3.228 2.820 3.624 . 0 0 "[ . 1 . 2]" 1
15 2 65 SER HA 2 68 ASP HB2 . . 4.230 3.866 3.642 4.129 . 0 0 "[ . 1 . 2]" 1
16 2 68 ASP HA 2 71 VAL HB . . 3.500 2.733 2.628 2.807 . 0 0 "[ . 1 . 2]" 1
17 2 25 ARG HA 2 27 PHE QB . . 5.090 4.395 4.369 4.412 . 0 0 "[ . 1 . 2]" 1
18 2 25 ARG HA 2 28 PRO QG . . 4.480 2.904 2.836 2.988 . 0 0 "[ . 1 . 2]" 1
19 2 25 ARG HA 2 25 ARG HG3 . . 4.080 3.134 2.229 3.829 . 0 0 "[ . 1 . 2]" 1
20 2 30 ILE HB 2 38 ALA HA . . 3.750 3.460 3.387 3.548 . 0 0 "[ . 1 . 2]" 1
21 2 30 ILE MD 2 38 ALA HA . . 4.280 3.843 3.607 4.125 . 0 0 "[ . 1 . 2]" 1
22 2 38 ALA HA 2 41 ILE MD . . 3.980 2.022 1.958 2.184 . 0 0 "[ . 1 . 2]" 1
23 2 58 GLU HA 2 58 GLU QG . . 3.560 3.242 2.546 3.339 . 0 0 "[ . 1 . 2]" 1
24 2 2 GLN HA 2 2 GLN QG . . 3.450 2.638 2.215 3.448 . 0 0 "[ . 1 . 2]" 1
25 2 7 ALA HA 2 10 LEU QB . . 3.850 2.513 1.984 3.254 . 0 0 "[ . 1 . 2]" 1
26 2 3 GLU HA 2 4 PRO HD3 . . 3.190 2.321 2.251 2.348 . 0 0 "[ . 1 . 2]" 1
27 2 3 GLU QG 2 4 PRO HD3 . . 4.230 3.360 2.989 4.264 0.034 17 0 "[ . 1 . 2]" 1
28 2 14 PRO HA 2 15 PRO HD2 . . 3.480 2.538 2.534 2.547 . 0 0 "[ . 1 . 2]" 1
29 2 59 SER HA 2 60 PRO HD2 . . 3.390 1.994 1.966 2.019 . 0 0 "[ . 1 . 2]" 1
30 2 3 GLU HA 2 4 PRO HD2 . . 3.190 2.416 2.106 2.513 . 0 0 "[ . 1 . 2]" 1
31 2 3 GLU QG 2 4 PRO HD2 . . 4.230 2.338 1.913 3.240 . 0 0 "[ . 1 . 2]" 1
32 2 59 SER HA 2 60 PRO HD3 . . 3.390 2.776 2.720 2.822 . 0 0 "[ . 1 . 2]" 1
33 2 14 PRO HA 2 15 PRO HD3 . . 3.480 2.369 2.366 2.374 . 0 0 "[ . 1 . 2]" 1
34 2 34 HIS HA 2 35 PRO HD3 . . 3.420 2.940 2.853 3.004 . 0 0 "[ . 1 . 2]" 1
35 2 34 HIS HA 2 35 PRO HD2 . . 3.420 2.099 2.040 2.145 . 0 0 "[ . 1 . 2]" 1
36 2 30 ILE MD 2 41 ILE HB . . 4.350 4.124 4.044 4.196 . 0 0 "[ . 1 . 2]" 1
37 2 50 ASN HB3 2 53 LEU MD1 . . 4.850 4.100 3.978 4.180 . 0 0 "[ . 1 . 2]" 1
38 2 22 LEU MD1 2 50 ASN HB3 . . 4.420 2.997 2.373 3.351 . 0 0 "[ . 1 . 2]" 1
39 2 50 ASN HB2 2 53 LEU MD1 . . 4.850 4.398 4.336 4.479 . 0 0 "[ . 1 . 2]" 1
40 2 22 LEU MD1 2 50 ASN HB2 . . 4.420 4.155 3.643 4.419 . 0 0 "[ . 1 . 2]" 1
41 2 13 ALA MB 2 17 GLU HG2 . . 4.780 4.250 2.440 4.784 0.004 3 0 "[ . 1 . 2]" 1
42 2 55 HIS HA 2 58 GLU QG . . 4.030 3.589 2.879 4.080 0.050 15 0 "[ . 1 . 2]" 1
43 2 31 GLN HA 2 31 GLN QG . . 3.870 2.576 2.539 2.767 . 0 0 "[ . 1 . 2]" 1
44 2 9 MET HA 2 9 MET HG3 . . 3.880 2.682 2.421 3.605 . 0 0 "[ . 1 . 2]" 1
45 2 74 LEU HA 2 77 HIS HB3 . . 4.450 3.559 2.864 4.231 . 0 0 "[ . 1 . 2]" 1
46 1 8 VAL MG1 2 77 HIS HB2 . . 3.900 2.748 2.088 3.160 . 0 0 "[ . 1 . 2]" 1
47 2 74 LEU HA 2 77 HIS HB2 . . 4.450 3.494 2.749 4.347 . 0 0 "[ . 1 . 2]" 1
48 2 5 LEU MD1 2 25 ARG HB2 . . 4.180 2.809 2.025 4.182 0.002 6 0 "[ . 1 . 2]" 1
49 2 28 PRO HA 2 31 GLN HB2 . . 4.380 2.675 2.324 2.836 . 0 0 "[ . 1 . 2]" 1
50 2 63 LEU HA 2 63 LEU MD2 . . 4.290 3.905 3.814 3.955 . 0 0 "[ . 1 . 2]" 1
51 2 64 ARG HA 2 67 VAL MG2 . . 3.880 2.668 2.340 3.062 . 0 0 "[ . 1 . 2]" 1
52 2 67 VAL HA 2 67 VAL MG2 . . 3.400 2.348 2.273 2.398 . 0 0 "[ . 1 . 2]" 1
53 2 63 LEU HG 2 67 VAL MG2 . . 3.600 2.549 2.404 2.644 . 0 0 "[ . 1 . 2]" 1
54 2 45 LEU MD1 2 67 VAL MG2 . . 3.810 3.588 3.229 3.828 0.018 10 0 "[ . 1 . 2]" 1
55 2 26 LEU HA 2 26 LEU MD2 . . 3.820 2.395 2.260 2.512 . 0 0 "[ . 1 . 2]" 1
56 2 74 LEU HA 2 74 LEU MD2 . . 3.770 1.985 1.915 2.127 . 0 0 "[ . 1 . 2]" 1
57 2 74 LEU HB3 2 74 LEU MD1 . . 3.300 2.054 2.016 2.140 . 0 0 "[ . 1 . 2]" 1
58 1 8 VAL MG1 2 74 LEU MD2 . . 3.730 3.080 2.062 3.571 . 0 0 "[ . 1 . 2]" 1
59 1 8 VAL MG2 2 74 LEU MD2 . . 4.080 1.878 1.795 1.916 . 0 0 "[ . 1 . 2]" 1
60 2 57 LEU HA 2 57 LEU MD2 . . 3.340 2.181 2.112 2.213 . 0 0 "[ . 1 . 2]" 1
61 2 68 ASP HA 2 71 VAL MG2 . . 3.840 3.101 2.655 3.373 . 0 0 "[ . 1 . 2]" 1
62 2 71 VAL HA 2 71 VAL MG2 . . 3.230 2.351 2.242 2.431 . 0 0 "[ . 1 . 2]" 1
63 2 70 ALA MB 2 71 VAL MG2 . . 3.540 3.016 2.878 3.174 . 0 0 "[ . 1 . 2]" 1
64 2 73 VAL HA 2 73 VAL MG2 . . 3.440 2.054 1.958 2.127 . 0 0 "[ . 1 . 2]" 1
65 1 8 VAL HB 2 73 VAL MG2 . . 4.320 3.967 3.778 4.339 0.019 14 0 "[ . 1 . 2]" 1
66 1 6 PRO QG 2 73 VAL MG2 . . 3.310 2.007 1.926 2.377 . 0 0 "[ . 1 . 2]" 1
67 2 67 VAL MG1 2 68 ASP HA . . 4.160 3.480 3.294 3.670 . 0 0 "[ . 1 . 2]" 1
68 2 67 VAL HA 2 67 VAL MG1 . . 3.530 2.328 2.235 2.386 . 0 0 "[ . 1 . 2]" 1
69 2 67 VAL MG1 2 71 VAL MG2 . . 3.210 2.410 2.191 2.522 . 0 0 "[ . 1 . 2]" 1
70 2 6 THR HA 2 6 THR MG . . 2.920 2.292 1.999 2.465 . 0 0 "[ . 1 . 2]" 1
71 2 29 LEU HA 2 29 LEU MD2 . . 3.250 2.134 1.997 2.336 . 0 0 "[ . 1 . 2]" 1
72 1 8 VAL HB 2 73 VAL MG1 . . 3.130 1.973 1.867 2.230 . 0 0 "[ . 1 . 2]" 1
73 1 6 PRO QG 2 73 VAL MG1 . . 3.320 2.216 1.988 2.467 . 0 0 "[ . 1 . 2]" 1
74 1 8 VAL MG2 2 73 VAL MG1 . . 4.170 3.215 3.025 3.467 . 0 0 "[ . 1 . 2]" 1
75 2 73 VAL HA 2 73 VAL MG1 . . 3.530 3.091 2.997 3.119 . 0 0 "[ . 1 . 2]" 1
76 1 8 VAL MG1 2 73 VAL MG1 . . 2.730 2.745 2.640 2.798 0.068 17 0 "[ . 1 . 2]" 1
77 2 71 VAL MG1 2 72 ALA HA . . 3.900 3.591 3.292 3.705 . 0 0 "[ . 1 . 2]" 1
78 2 71 VAL HA 2 71 VAL MG1 . . 3.380 2.362 2.307 2.424 . 0 0 "[ . 1 . 2]" 1
79 2 71 VAL MG1 2 75 GLN HG3 . . 4.380 3.959 3.685 4.453 0.073 16 0 "[ . 1 . 2]" 1
80 2 71 VAL MG1 2 75 GLN HG2 . . 4.380 4.148 2.999 4.403 0.023 4 0 "[ . 1 . 2]" 1
81 2 71 VAL MG1 2 74 LEU HB3 . . 4.020 3.853 3.635 4.060 0.040 3 0 "[ . 1 . 2]" 1
82 2 71 VAL MG1 2 72 ALA MB . . 4.300 4.078 3.976 4.177 . 0 0 "[ . 1 . 2]" 1
83 2 41 ILE HA 2 41 ILE MG . . 3.490 2.199 2.177 2.231 . 0 0 "[ . 1 . 2]" 1
84 2 41 ILE MG 2 67 VAL MG1 . . 3.910 3.739 3.114 3.925 0.015 18 0 "[ . 1 . 2]" 1
85 2 41 ILE MD 2 41 ILE MG . . 3.170 1.903 1.864 1.942 . 0 0 "[ . 1 . 2]" 1
86 2 30 ILE MG 2 38 ALA HA . . 3.260 2.731 2.553 2.924 . 0 0 "[ . 1 . 2]" 1
87 2 30 ILE HA 2 30 ILE MG . . 3.380 2.296 2.278 2.316 . 0 0 "[ . 1 . 2]" 1
88 2 30 ILE MG 2 42 THR HA . . 5.300 5.185 4.906 5.321 0.021 2 0 "[ . 1 . 2]" 1
89 2 30 ILE MG 2 34 HIS HB3 . . 4.480 3.870 3.660 4.061 . 0 0 "[ . 1 . 2]" 1
90 2 30 ILE MG 2 34 HIS HB2 . . 4.270 2.495 2.251 2.749 . 0 0 "[ . 1 . 2]" 1
91 2 31 GLN HA 2 38 ALA MB . . 3.600 2.482 2.334 2.664 . 0 0 "[ . 1 . 2]" 1
92 2 31 GLN HB3 2 38 ALA MB . . 4.330 4.197 4.022 4.337 0.007 2 0 "[ . 1 . 2]" 1
93 2 30 ILE HB 2 38 ALA MB . . 4.090 2.722 2.550 2.923 . 0 0 "[ . 1 . 2]" 1
94 2 30 ILE MG 2 38 ALA MB . . 3.570 2.920 2.645 3.166 . 0 0 "[ . 1 . 2]" 1
95 2 48 ILE MD 2 48 ILE MG . . 3.870 2.007 1.919 2.096 . 0 0 "[ . 1 . 2]" 1
96 2 41 ILE MD 2 71 VAL HA . . 5.240 4.977 4.644 5.257 0.017 12 0 "[ . 1 . 2]" 1
97 2 37 LEU HB2 2 41 ILE MD . . 3.900 3.403 3.326 3.451 . 0 0 "[ . 1 . 2]" 1
98 2 30 ILE MG 2 41 ILE MD . . 3.100 1.792 1.768 1.813 . 0 0 "[ . 1 . 2]" 1
99 2 30 ILE MD 2 41 ILE MD . . 3.420 3.163 3.037 3.332 . 0 0 "[ . 1 . 2]" 1
100 2 27 PHE HA 2 30 ILE MD . . 4.270 3.850 3.753 3.995 . 0 0 "[ . 1 . 2]" 1
101 2 29 LEU HB2 2 30 ILE MD . . 3.630 3.650 3.632 3.664 0.034 1 0 "[ . 1 . 2]" 1
102 2 30 ILE MD 2 67 VAL MG1 . . 4.030 4.013 3.845 4.048 0.018 14 0 "[ . 1 . 2]" 1
103 2 30 ILE MD 2 30 ILE MG . . 3.160 2.451 2.400 2.546 . 0 0 "[ . 1 . 2]" 1
104 2 13 ALA HA 2 14 PRO HD2 . . 3.910 2.504 2.488 2.510 . 0 0 "[ . 1 . 2]" 1
105 2 3 GLU HA 2 3 GLU QG . . 3.690 2.413 2.063 3.299 . 0 0 "[ . 1 . 2]" 1
106 2 67 VAL HA 2 70 ALA MB . . 3.800 3.156 3.012 3.226 . 0 0 "[ . 1 . 2]" 1
107 2 41 ILE MG 2 70 ALA MB . . 3.410 2.437 1.705 2.880 . 0 0 "[ . 1 . 2]" 1
108 2 45 LEU MD1 2 70 ALA MB . . 3.830 3.383 2.498 3.837 0.007 14 0 "[ . 1 . 2]" 1
109 2 41 ILE MD 2 70 ALA MB . . 4.130 3.882 3.466 4.145 0.015 7 0 "[ . 1 . 2]" 1
110 2 44 MET HA 2 44 MET ME . . 5.020 4.653 4.419 4.927 . 0 0 "[ . 1 . 2]" 1
111 1 8 VAL HA 2 44 MET ME . . 3.040 2.185 1.962 2.509 . 0 0 "[ . 1 . 2]" 1
112 2 44 MET ME 2 70 ALA MB . . 3.220 2.370 2.141 2.649 . 0 0 "[ . 1 . 2]" 1
113 2 44 MET ME 2 73 VAL MG1 . . 3.370 2.742 2.619 2.840 . 0 0 "[ . 1 . 2]" 1
114 1 8 VAL MG1 2 44 MET ME . . 4.370 4.302 4.179 4.406 0.036 12 0 "[ . 1 . 2]" 1
115 2 64 ARG QB 2 64 ARG QD . . 3.180 2.213 1.991 2.806 . 0 0 "[ . 1 . 2]" 1
116 2 5 LEU HA 2 5 LEU MD2 . . 4.290 3.123 1.953 4.105 . 0 0 "[ . 1 . 2]" 1
117 2 37 LEU HA 2 37 LEU MD2 . . 3.580 3.580 3.514 3.613 0.033 13 0 "[ . 1 . 2]" 1
118 2 37 LEU HB3 2 37 LEU MD2 . . 3.360 2.140 2.001 2.193 . 0 0 "[ . 1 . 2]" 1
119 2 30 ILE HA 2 33 MET HB2 . . 4.630 3.442 3.157 3.717 . 0 0 "[ . 1 . 2]" 1
120 2 53 LEU HA 2 53 LEU MD2 . . 3.910 2.386 2.295 2.603 . 0 0 "[ . 1 . 2]" 1
121 2 48 ILE HB 2 53 LEU MD2 . . 4.510 3.199 2.829 3.338 . 0 0 "[ . 1 . 2]" 1
122 2 26 LEU MD1 2 42 THR MG . . 3.810 2.581 2.182 2.837 . 0 0 "[ . 1 . 2]" 1
123 1 13 PHE QD 2 42 THR MG . . 3.780 2.906 2.457 3.394 . 0 0 "[ . 1 . 2]" 1
124 1 13 PHE HB2 2 42 THR MG . . 4.480 3.703 3.343 3.986 . 0 0 "[ . 1 . 2]" 1
125 2 46 LEU HA 2 46 LEU MD1 . . 3.900 3.401 3.313 3.613 . 0 0 "[ . 1 . 2]" 1
126 2 30 ILE MG 2 31 GLN HA . . 5.500 3.803 3.759 3.849 . 0 0 "[ . 1 . 2]" 1
127 2 31 GLN HA 2 38 ALA HA . . 5.500 4.658 4.336 5.027 . 0 0 "[ . 1 . 2]" 1
128 1 8 VAL MG2 2 44 MET ME . . 4.100 3.874 3.463 4.050 . 0 0 "[ . 1 . 2]" 1
129 2 34 HIS HA 2 41 ILE MD . . 5.470 4.670 4.464 4.891 . 0 0 "[ . 1 . 2]" 1
130 2 37 LEU HA 2 41 ILE MD . . 5.500 5.018 4.952 5.096 . 0 0 "[ . 1 . 2]" 1
131 2 48 ILE MD 2 53 LEU HG . . 5.410 4.236 4.020 4.454 . 0 0 "[ . 1 . 2]" 1
132 2 26 LEU MD1 2 42 THR HA . . 4.230 3.895 3.554 4.127 . 0 0 "[ . 1 . 2]" 1
133 2 30 ILE MD 2 38 ALA MB . . 4.490 3.703 3.453 3.966 . 0 0 "[ . 1 . 2]" 1
134 2 13 ALA HA 2 14 PRO HD3 . . 3.910 2.345 2.337 2.349 . 0 0 "[ . 1 . 2]" 1
135 2 25 ARG HA 2 25 ARG HD2 . . 4.300 3.829 2.648 4.395 0.095 8 0 "[ . 1 . 2]" 1
136 2 25 ARG HA 2 25 ARG HG2 . . 4.080 3.037 2.454 3.655 . 0 0 "[ . 1 . 2]" 1
137 2 36 THR HA 2 36 THR MG . . 3.030 2.305 2.195 2.399 . 0 0 "[ . 1 . 2]" 1
138 2 59 SER HA 2 60 PRO HG3 . . 4.760 4.556 4.516 4.590 . 0 0 "[ . 1 . 2]" 1
139 2 44 MET ME 2 73 VAL MG2 . . 4.410 4.221 4.108 4.311 . 0 0 "[ . 1 . 2]" 1
140 2 30 ILE MD 2 67 VAL MG2 . . 3.470 3.252 2.852 3.473 0.003 4 0 "[ . 1 . 2]" 1
141 2 30 ILE HB 2 30 ILE MD . . 3.290 2.227 2.087 2.256 . 0 0 "[ . 1 . 2]" 1
142 2 38 ALA HA 2 41 ILE HB . . 5.300 5.038 4.963 5.148 . 0 0 "[ . 1 . 2]" 1
143 2 36 THR HB 2 37 LEU HG . . 4.710 3.194 2.904 3.318 . 0 0 "[ . 1 . 2]" 1
144 2 66 LYS HA 2 69 GLU QG . . 5.500 2.915 2.285 3.369 . 0 0 "[ . 1 . 2]" 1
145 1 13 PHE QD 2 42 THR HB . . 4.940 3.141 2.721 3.595 . 0 0 "[ . 1 . 2]" 1
146 2 30 ILE MG 2 33 MET HB3 . . 4.810 4.091 3.823 4.252 . 0 0 "[ . 1 . 2]" 1
147 2 30 ILE MG 2 33 MET HB2 . . 4.790 2.589 2.344 2.764 . 0 0 "[ . 1 . 2]" 1
148 2 33 MET HB2 2 67 VAL MG1 . . 4.800 3.467 3.040 3.765 . 0 0 "[ . 1 . 2]" 1
149 2 30 ILE MD 2 41 ILE HA . . 5.500 5.535 5.502 5.569 0.069 1 0 "[ . 1 . 2]" 1
150 2 13 ALA MB 2 14 PRO HD3 . . 3.430 3.134 3.088 3.172 . 0 0 "[ . 1 . 2]" 1
151 2 13 ALA MB 2 14 PRO HD2 . . 3.430 2.003 1.946 2.099 . 0 0 "[ . 1 . 2]" 1
152 2 41 ILE MD 2 71 VAL MG2 . . 3.230 2.967 2.593 3.241 0.011 16 0 "[ . 1 . 2]" 1
153 1 8 VAL MG1 2 77 HIS HB3 . . 4.760 3.253 2.376 4.078 . 0 0 "[ . 1 . 2]" 1
154 1 4 PHE QD 2 48 ILE MG . . 4.740 4.470 4.256 4.757 0.017 11 0 "[ . 1 . 2]" 1
155 2 48 ILE MG 2 52 GLU QG . . 3.980 3.486 3.120 3.946 . 0 0 "[ . 1 . 2]" 1
156 2 48 ILE MG 2 53 LEU MD2 . . 4.090 4.050 3.652 4.112 0.022 8 0 "[ . 1 . 2]" 1
157 2 31 GLN HB2 2 38 ALA MB . . 4.260 3.012 2.746 3.271 . 0 0 "[ . 1 . 2]" 1
158 2 41 ILE MG 2 67 VAL HA . . 4.640 4.349 3.250 4.696 0.056 17 0 "[ . 1 . 2]" 1
159 1 6 PRO HD2 2 73 VAL MG2 . . 3.730 2.069 1.941 2.187 . 0 0 "[ . 1 . 2]" 1
160 2 73 VAL MG2 2 74 LEU HA . . 4.870 4.684 4.591 4.936 0.066 19 0 "[ . 1 . 2]" 1
161 2 44 MET ME 2 71 VAL HA . . 5.500 5.535 5.503 5.589 0.089 19 0 "[ . 1 . 2]" 1
162 2 71 VAL HA 2 73 VAL MG1 . . 4.930 4.375 4.205 4.601 . 0 0 "[ . 1 . 2]" 1
163 2 71 VAL HA 2 74 LEU MD1 . . 5.360 4.786 3.935 5.026 . 0 0 "[ . 1 . 2]" 1
164 2 7 ALA HA 2 54 LEU MD1 . . 3.610 2.771 1.928 3.248 . 0 0 "[ . 1 . 2]" 1
165 2 4 PRO HB3 2 6 THR MG . . 5.500 5.305 4.821 5.534 0.034 4 0 "[ . 1 . 2]" 1
166 2 30 ILE MG 2 33 MET ME . . 4.270 2.694 2.310 3.010 . 0 0 "[ . 1 . 2]" 1
167 2 34 HIS HB3 2 41 ILE MD . . 4.270 3.026 2.706 3.295 . 0 0 "[ . 1 . 2]" 1
168 2 34 HIS HB2 2 41 ILE MD . . 4.060 2.367 2.182 2.611 . 0 0 "[ . 1 . 2]" 1
169 2 41 ILE MD 2 67 VAL MG1 . . 3.610 2.559 1.865 2.868 . 0 0 "[ . 1 . 2]" 1
170 2 29 LEU HA 2 29 LEU HG . . 4.120 2.849 2.797 2.939 . 0 0 "[ . 1 . 2]" 1
171 2 48 ILE MD 2 53 LEU MD2 . . 4.170 3.054 2.544 3.255 . 0 0 "[ . 1 . 2]" 1
172 1 6 PRO HA 2 44 MET ME . . 3.900 3.678 3.139 3.909 0.009 1 0 "[ . 1 . 2]" 1
173 2 44 MET ME 2 70 ALA HA . . 4.400 3.378 3.141 3.702 . 0 0 "[ . 1 . 2]" 1
174 2 44 MET QB 2 44 MET ME . . 3.840 2.522 2.251 3.063 . 0 0 "[ . 1 . 2]" 1
175 2 21 MET HA 2 21 MET HG3 . . 3.850 3.565 3.248 3.770 . 0 0 "[ . 1 . 2]" 1
176 2 21 MET HA 2 21 MET HG2 . . 3.850 2.448 2.291 2.798 . 0 0 "[ . 1 . 2]" 1
177 1 10 ALA MB 2 44 MET HA . . 4.050 3.731 3.304 4.112 0.062 20 0 "[ . 1 . 2]" 1
178 2 9 MET HA 2 9 MET HG2 . . 3.880 3.541 3.312 3.804 . 0 0 "[ . 1 . 2]" 1
179 2 10 LEU HA 2 21 MET ME . . 3.120 2.607 1.917 3.132 0.012 2 0 "[ . 1 . 2]" 1
180 2 21 MET ME 2 21 MET HG2 . . 3.550 3.130 2.260 3.387 . 0 0 "[ . 1 . 2]" 1
181 2 21 MET ME 2 21 MET HG3 . . 3.550 2.405 2.034 3.357 . 0 0 "[ . 1 . 2]" 1
182 2 13 ALA MB 2 21 MET ME . . 2.890 2.370 1.780 2.909 0.019 8 0 "[ . 1 . 2]" 1
183 2 56 MET ME 2 63 LEU HA . . 3.710 2.715 1.987 3.391 . 0 0 "[ . 1 . 2]" 1
184 2 53 LEU HA 2 56 MET ME . . 3.750 3.089 2.083 3.774 0.024 15 0 "[ . 1 . 2]" 1
185 2 56 MET ME 2 63 LEU MD1 . . 3.200 2.665 1.777 3.055 . 0 0 "[ . 1 . 2]" 1
186 2 53 LEU MD2 2 56 MET ME . . 3.470 2.331 1.718 3.111 . 0 0 "[ . 1 . 2]" 1
187 2 48 ILE MD 2 56 MET ME . . 3.760 3.178 2.411 3.811 0.051 15 0 "[ . 1 . 2]" 1
188 2 53 LEU HG 2 56 MET ME . . 4.700 3.954 2.935 4.710 0.010 14 0 "[ . 1 . 2]" 1
189 2 56 MET ME 2 63 LEU HB2 . . 3.970 3.746 3.274 3.972 0.002 8 0 "[ . 1 . 2]" 1
190 2 33 MET ME 2 33 MET HG3 . . 3.380 2.228 2.044 2.371 . 0 0 "[ . 1 . 2]" 1
191 2 33 MET ME 2 33 MET HG2 . . 3.380 3.258 3.159 3.365 . 0 0 "[ . 1 . 2]" 1
192 2 33 MET ME 2 64 ARG HA . . 3.490 3.303 2.746 3.499 0.009 2 0 "[ . 1 . 2]" 1
193 2 33 MET ME 2 63 LEU HG . . 3.130 3.068 2.744 3.138 0.008 17 0 "[ . 1 . 2]" 1
194 2 33 MET ME 2 63 LEU MD2 . . 2.810 2.728 1.943 2.818 0.008 4 0 "[ . 1 . 2]" 1
195 2 33 MET ME 2 63 LEU MD1 . . 3.800 3.770 3.588 3.818 0.018 16 0 "[ . 1 . 2]" 1
196 2 33 MET ME 2 67 VAL MG2 . . 3.090 2.436 2.049 2.836 . 0 0 "[ . 1 . 2]" 1
197 2 33 MET ME 2 67 VAL MG1 . . 3.190 2.884 2.502 3.180 . 0 0 "[ . 1 . 2]" 1
198 2 30 ILE HG12 2 33 MET ME . . 3.210 3.086 2.765 3.211 0.001 4 0 "[ . 1 . 2]" 1
199 2 5 LEU HA 2 9 MET ME . . 3.690 3.270 2.055 3.682 . 0 0 "[ . 1 . 2]" 1
200 1 13 PHE QD 2 23 GLY HA2 . . 5.500 4.487 4.209 4.814 . 0 0 "[ . 1 . 2]" 1
201 1 13 PHE QD 2 23 GLY HA3 . . 5.500 3.183 2.732 3.515 . 0 0 "[ . 1 . 2]" 1
202 2 31 GLN QG 2 38 ALA MB . . 4.380 3.777 3.292 4.325 . 0 0 "[ . 1 . 2]" 1
203 2 27 PHE QE 2 38 ALA MB . . 4.680 3.188 2.780 3.490 . 0 0 "[ . 1 . 2]" 1
204 2 27 PHE HZ 2 38 ALA MB . . 5.500 5.227 4.812 5.522 0.022 11 0 "[ . 1 . 2]" 1
205 2 27 PHE QD 2 38 ALA MB . . 4.920 2.466 1.971 2.729 . 0 0 "[ . 1 . 2]" 1
206 2 35 PRO HA 2 38 ALA MB . . 4.140 2.050 1.954 2.311 . 0 0 "[ . 1 . 2]" 1
207 2 30 ILE HA 2 38 ALA MB . . 4.940 4.821 4.675 4.952 0.012 4 0 "[ . 1 . 2]" 1
208 2 35 PRO HB3 2 38 ALA MB . . 4.820 3.901 3.685 4.062 . 0 0 "[ . 1 . 2]" 1
209 2 38 ALA MB 2 41 ILE MD . . 4.970 3.321 3.256 3.467 . 0 0 "[ . 1 . 2]" 1
210 2 27 PHE QB 2 42 THR MG . . 4.870 3.459 3.142 3.896 . 0 0 "[ . 1 . 2]" 1
211 2 26 LEU HB3 2 42 THR MG . . 4.310 2.831 2.564 3.093 . 0 0 "[ . 1 . 2]" 1
212 2 29 LEU MD1 2 63 LEU MD2 . . 3.620 3.565 3.287 3.634 0.014 20 0 "[ . 1 . 2]" 1
213 2 46 LEU HA 2 53 LEU MD1 . . 4.480 1.895 1.880 1.937 . 0 0 "[ . 1 . 2]" 1
214 2 45 LEU HB3 2 53 LEU MD1 . . 4.920 4.701 4.595 4.870 . 0 0 "[ . 1 . 2]" 1
215 2 22 LEU MD1 2 53 LEU MD1 . . 3.940 2.111 1.851 2.525 . 0 0 "[ . 1 . 2]" 1
216 2 22 LEU MD2 2 53 LEU MD1 . . 4.380 3.620 2.666 3.905 . 0 0 "[ . 1 . 2]" 1
217 2 46 LEU MD1 2 53 LEU MD1 . . 4.600 3.435 3.226 3.791 . 0 0 "[ . 1 . 2]" 1
218 2 48 ILE HB 2 53 LEU MD1 . . 4.780 3.165 2.924 3.294 . 0 0 "[ . 1 . 2]" 1
219 2 26 LEU MD1 2 29 LEU HB2 . . 5.500 5.331 5.297 5.369 . 0 0 "[ . 1 . 2]" 1
220 2 22 LEU MD1 2 53 LEU HB2 . . 4.180 2.774 2.193 3.809 . 0 0 "[ . 1 . 2]" 1
221 2 26 LEU HA 2 29 LEU MD1 . . 3.990 1.998 1.919 2.252 . 0 0 "[ . 1 . 2]" 1
222 2 30 ILE HG12 2 67 VAL MG2 . . 3.650 2.390 2.053 2.688 . 0 0 "[ . 1 . 2]" 1
223 2 45 LEU HA 2 45 LEU MD2 . . 4.400 2.752 2.363 3.802 . 0 0 "[ . 1 . 2]" 1
224 2 45 LEU MD2 2 67 VAL MG2 . . 4.120 3.550 2.153 4.132 0.012 12 0 "[ . 1 . 2]" 1
225 2 56 MET HB3 2 63 LEU MD1 . . 4.540 3.596 3.051 4.587 0.047 15 0 "[ . 1 . 2]" 1
226 2 41 ILE MG 2 71 VAL MG2 . . 3.600 2.583 2.258 2.860 . 0 0 "[ . 1 . 2]" 1
227 1 8 VAL MG1 2 73 VAL MG2 . . 4.470 3.722 3.358 4.055 . 0 0 "[ . 1 . 2]" 1
228 1 6 PRO HD3 2 73 VAL MG2 . . 3.500 3.529 3.400 3.617 0.117 19 0 "[ . 1 . 2]" 1
229 2 37 LEU MD2 2 41 ILE MD . . 5.020 5.062 5.033 5.080 0.060 4 0 "[ . 1 . 2]" 1
230 2 64 ARG HA 2 67 VAL MG1 . . 4.420 4.126 3.846 4.445 0.025 12 0 "[ . 1 . 2]" 1
231 2 64 ARG QD 2 67 VAL MG1 . . 5.500 5.231 4.649 5.552 0.052 14 0 "[ . 1 . 2]" 1
232 2 67 VAL MG1 2 71 VAL HA . . 5.500 5.320 5.221 5.382 . 0 0 "[ . 1 . 2]" 1
233 2 41 ILE HB 2 67 VAL MG1 . . 4.280 4.117 3.734 4.290 0.010 13 0 "[ . 1 . 2]" 1
234 2 33 MET HB3 2 67 VAL MG1 . . 4.180 3.981 3.479 4.184 0.004 11 0 "[ . 1 . 2]" 1
235 2 71 VAL MG1 2 74 LEU MD1 . . 4.170 4.070 3.787 4.179 0.009 1 0 "[ . 1 . 2]" 1
236 2 13 ALA MB 2 17 GLU HB2 . . 3.670 2.672 2.299 3.686 0.016 20 0 "[ . 1 . 2]" 1
237 2 10 LEU HA 2 13 ALA MB . . 3.870 3.474 2.692 3.877 0.007 2 0 "[ . 1 . 2]" 1
238 2 13 ALA MB 2 17 GLU HB3 . . 3.670 2.987 2.339 3.655 . 0 0 "[ . 1 . 2]" 1
239 2 13 ALA MB 2 17 GLU HG3 . . 4.780 3.803 2.528 4.767 . 0 0 "[ . 1 . 2]" 1
240 2 13 ALA MB 2 18 GLN QG . . 3.330 2.868 2.042 3.324 . 0 0 "[ . 1 . 2]" 1
241 2 41 ILE MG 2 44 MET QB . . 5.330 4.929 4.368 5.422 0.092 1 0 "[ . 1 . 2]" 1
242 2 41 ILE MG 2 42 THR HA . . 5.460 5.438 5.420 5.456 . 0 0 "[ . 1 . 2]" 1
243 2 40 LYS HA 2 41 ILE MG . . 5.200 5.072 5.044 5.095 . 0 0 "[ . 1 . 2]" 1
244 1 4 PHE QD 2 70 ALA MB . . 4.360 4.277 3.949 4.391 0.031 18 0 "[ . 1 . 2]" 1
245 1 4 PHE QE 2 70 ALA MB . . 4.670 4.234 3.237 4.634 . 0 0 "[ . 1 . 2]" 1
246 2 48 ILE MG 2 53 LEU HG . . 4.030 3.895 3.593 4.036 0.006 7 0 "[ . 1 . 2]" 1
247 2 48 ILE MG 2 49 ASP HB3 . . 4.700 3.540 3.369 3.692 . 0 0 "[ . 1 . 2]" 1
248 2 29 LEU HB3 2 30 ILE MD . . 4.910 4.408 4.236 4.514 . 0 0 "[ . 1 . 2]" 1
249 2 30 ILE MD 2 33 MET ME . . 5.210 4.274 4.020 4.414 . 0 0 "[ . 1 . 2]" 1
250 1 4 PHE QD 2 48 ILE MD . . 4.140 3.580 3.370 3.842 . 0 0 "[ . 1 . 2]" 1
251 2 5 LEU MD2 2 25 ARG HB3 . . 4.180 3.583 1.965 4.246 0.066 20 0 "[ . 1 . 2]" 1
252 2 5 LEU MD2 2 25 ARG HB2 . . 4.180 3.091 1.980 3.894 . 0 0 "[ . 1 . 2]" 1
253 1 8 VAL MG1 2 74 LEU HA . . 4.540 3.178 2.512 3.556 . 0 0 "[ . 1 . 2]" 1
254 1 8 VAL MG2 2 74 LEU HA . . 5.080 2.537 2.053 3.051 . 0 0 "[ . 1 . 2]" 1
255 2 54 LEU HA 2 54 LEU MD2 . . 3.730 2.618 1.958 3.721 . 0 0 "[ . 1 . 2]" 1
256 2 54 LEU HA 2 57 LEU MD2 . . 4.070 3.242 2.944 3.870 . 0 0 "[ . 1 . 2]" 1
257 2 27 PHE QE 2 31 GLN HA . . 5.500 4.993 4.912 5.038 . 0 0 "[ . 1 . 2]" 1
258 2 16 GLN HA 2 20 GLN QG . . 5.500 5.230 4.610 5.529 0.029 8 0 "[ . 1 . 2]" 1
259 1 13 PHE QE 2 24 GLU HA . . 4.220 3.222 2.988 3.431 . 0 0 "[ . 1 . 2]" 1
260 2 27 PHE HA 2 27 PHE QE . . 5.050 4.769 4.759 4.774 . 0 0 "[ . 1 . 2]" 1
261 2 36 THR HA 2 37 LEU MD2 . . 5.500 5.529 5.500 5.540 0.040 19 0 "[ . 1 . 2]" 1
262 2 34 HIS HB3 2 37 LEU HB2 . . 4.660 4.535 4.110 4.668 0.008 6 0 "[ . 1 . 2]" 1
263 2 34 HIS HB3 2 37 LEU MD1 . . 4.630 3.283 3.114 3.443 . 0 0 "[ . 1 . 2]" 1
264 2 34 HIS HB2 2 37 LEU MD1 . . 4.810 4.573 4.473 4.672 . 0 0 "[ . 1 . 2]" 1
265 2 34 HIS HB2 2 37 LEU HB2 . . 5.360 5.363 5.306 5.381 0.021 10 0 "[ . 1 . 2]" 1
266 2 45 LEU MD1 2 67 VAL HA . . 4.250 3.708 3.043 4.228 . 0 0 "[ . 1 . 2]" 1
267 1 13 PHE HB2 2 42 THR HB . . 5.440 5.318 5.137 5.449 0.009 7 0 "[ . 1 . 2]" 1
268 2 36 THR HB 2 37 LEU MD2 . . 4.680 4.226 4.081 4.295 . 0 0 "[ . 1 . 2]" 1
269 2 6 THR HB 2 54 LEU MD2 . . 5.500 5.128 3.775 5.511 0.011 9 0 "[ . 1 . 2]" 1
270 2 6 THR HB 2 8 SER QB . . 4.710 3.728 2.971 4.641 . 0 0 "[ . 1 . 2]" 1
271 2 25 ARG HA 2 25 ARG HD3 . . 4.300 3.880 3.338 4.317 0.017 1 0 "[ . 1 . 2]" 1
272 2 5 LEU MD2 2 25 ARG HD3 . . 4.190 2.859 1.911 4.139 . 0 0 "[ . 1 . 2]" 1
273 2 5 LEU MD1 2 25 ARG HD3 . . 4.190 2.804 1.887 4.189 . 0 0 "[ . 1 . 2]" 1
274 2 5 LEU MD2 2 25 ARG HD2 . . 4.190 2.586 1.978 4.145 . 0 0 "[ . 1 . 2]" 1
275 2 5 LEU MD1 2 25 ARG HD2 . . 4.190 2.826 1.888 3.725 . 0 0 "[ . 1 . 2]" 1
276 2 5 LEU HG 2 25 ARG HD2 . . 5.500 3.679 2.049 5.667 0.167 9 0 "[ . 1 . 2]" 1
277 2 5 LEU HG 2 25 ARG HD3 . . 5.500 3.472 2.072 5.151 . 0 0 "[ . 1 . 2]" 1
278 2 5 LEU HA 2 25 ARG HD3 . . 5.500 5.068 3.776 5.550 0.050 20 0 "[ . 1 . 2]" 1
279 2 5 LEU HA 2 25 ARG HD2 . . 5.500 5.237 4.457 5.523 0.023 9 0 "[ . 1 . 2]" 1
280 2 43 GLY HA2 2 46 LEU MD2 . . 4.540 1.931 1.898 1.960 . 0 0 "[ . 1 . 2]" 1
281 2 42 THR MG 2 43 GLY HA2 . . 4.930 3.248 3.086 3.386 . 0 0 "[ . 1 . 2]" 1
282 2 23 GLY HA3 2 26 LEU MD1 . . 4.820 3.610 3.433 3.767 . 0 0 "[ . 1 . 2]" 1
283 2 23 GLY HA2 2 26 LEU MD1 . . 4.820 2.185 2.030 2.345 . 0 0 "[ . 1 . 2]" 1
284 2 27 PHE QB 2 28 PRO QD . . 3.800 1.825 1.809 1.830 . 0 0 "[ . 1 . 2]" 1
285 2 27 PHE QD 2 28 PRO QD . . 4.730 2.011 2.004 2.017 . 0 0 "[ . 1 . 2]" 1
286 2 27 PHE HZ 2 28 PRO QD . . 5.500 5.426 5.416 5.439 . 0 0 "[ . 1 . 2]" 1
287 2 27 PHE QE 2 28 PRO QD . . 4.870 3.919 3.915 3.927 . 0 0 "[ . 1 . 2]" 1
288 2 59 SER HA 2 60 PRO HG2 . . 4.450 4.156 4.140 4.171 . 0 0 "[ . 1 . 2]" 1
289 2 33 MET HB2 2 34 HIS HA . . 4.790 4.464 4.415 4.530 . 0 0 "[ . 1 . 2]" 1
290 2 34 HIS HA 2 35 PRO QG . . 4.400 3.932 3.888 3.966 . 0 0 "[ . 1 . 2]" 1
291 2 2 GLN HA 2 3 GLU HA . . 4.940 4.468 4.304 4.834 . 0 0 "[ . 1 . 2]" 1
292 2 4 PRO HA 2 5 LEU HA . . 5.500 4.415 4.326 4.512 . 0 0 "[ . 1 . 2]" 1
293 2 52 GLU HA 2 55 HIS HB3 . . 3.990 3.596 3.057 3.862 . 0 0 "[ . 1 . 2]" 1
294 2 52 GLU HA 2 55 HIS HB2 . . 3.990 3.751 3.577 3.869 . 0 0 "[ . 1 . 2]" 1
295 2 31 GLN QG 2 35 PRO HA . . 3.860 3.138 2.626 3.749 . 0 0 "[ . 1 . 2]" 1
296 2 31 GLN HA 2 35 PRO HA . . 3.700 2.213 2.165 2.296 . 0 0 "[ . 1 . 2]" 1
297 2 6 THR MG 2 8 SER QB . . 4.700 4.327 4.001 4.699 . 0 0 "[ . 1 . 2]" 1
298 2 31 GLN HA 2 32 ALA MB . . 5.500 4.953 4.938 4.978 . 0 0 "[ . 1 . 2]" 1
299 2 5 LEU MD1 2 25 ARG HA . . 5.150 4.705 4.044 5.103 . 0 0 "[ . 1 . 2]" 1
300 2 5 LEU MD2 2 25 ARG HA . . 5.150 4.832 4.103 5.152 0.002 4 0 "[ . 1 . 2]" 1
301 2 64 ARG QD 2 67 VAL HB . . 5.430 4.677 4.240 5.240 . 0 0 "[ . 1 . 2]" 1
302 2 64 ARG QD 2 67 VAL MG2 . . 5.430 4.597 3.183 5.335 . 0 0 "[ . 1 . 2]" 1
303 2 41 ILE HA 2 70 ALA MB . . 4.240 3.510 2.927 3.946 . 0 0 "[ . 1 . 2]" 1
304 2 45 LEU HA 2 48 ILE MD . . 4.810 2.053 1.954 2.192 . 0 0 "[ . 1 . 2]" 1
305 2 46 LEU HA 2 53 LEU MD2 . . 4.520 2.049 1.964 2.182 . 0 0 "[ . 1 . 2]" 1
306 2 3 GLU HA 2 4 PRO HB3 . . 5.110 4.857 4.829 4.869 . 0 0 "[ . 1 . 2]" 1
307 2 54 LEU HA 2 57 LEU HG . . 4.350 2.396 1.999 2.744 . 0 0 "[ . 1 . 2]" 1
308 2 78 GLN QB 2 79 ALA HA . . 4.660 4.452 4.068 4.677 0.017 16 0 "[ . 1 . 2]" 1
309 2 64 ARG HA 2 64 ARG QG . . 3.650 3.144 2.287 3.435 . 0 0 "[ . 1 . 2]" 1
310 2 56 MET HA 2 57 LEU MD2 . . 5.060 4.971 4.890 5.015 . 0 0 "[ . 1 . 2]" 1
311 2 63 LEU HG 2 64 ARG HA . . 4.690 3.464 3.214 3.832 . 0 0 "[ . 1 . 2]" 1
312 2 61 GLU HA 2 64 ARG QG . . 4.140 3.604 3.203 4.156 0.016 20 0 "[ . 1 . 2]" 1
313 2 64 ARG HA 2 67 VAL HB . . 3.880 2.848 2.587 3.210 . 0 0 "[ . 1 . 2]" 1
314 2 67 VAL HB 2 68 ASP HA . . 4.160 4.172 4.095 4.205 0.045 13 0 "[ . 1 . 2]" 1
315 2 31 GLN HA 2 35 PRO HB3 . . 4.660 2.668 2.253 2.859 . 0 0 "[ . 1 . 2]" 1
316 2 31 GLN HB3 2 35 PRO HB3 . . 4.520 4.366 4.228 4.554 0.034 1 0 "[ . 1 . 2]" 1
317 2 56 MET HB2 2 63 LEU MD1 . . 4.540 4.352 3.527 4.547 0.007 13 0 "[ . 1 . 2]" 1
318 2 17 GLU HA 2 20 GLN QG . . 4.570 2.517 1.962 3.302 . 0 0 "[ . 1 . 2]" 1
319 2 78 GLN QG 2 79 ALA MB . . 4.330 4.043 2.511 4.343 0.013 15 0 "[ . 1 . 2]" 1
320 2 78 GLN HA 2 78 GLN QG . . 3.710 2.828 2.372 3.443 . 0 0 "[ . 1 . 2]" 1
321 2 42 THR MG 2 45 LEU HB2 . . 4.780 4.167 3.974 4.319 . 0 0 "[ . 1 . 2]" 1
322 2 60 PRO HA 2 63 LEU HB3 . . 4.760 2.638 2.287 2.872 . 0 0 "[ . 1 . 2]" 1
323 2 28 PRO HB2 2 29 LEU HB2 . . 5.500 5.468 5.408 5.506 0.006 2 0 "[ . 1 . 2]" 1
324 2 26 LEU MD2 2 29 LEU HB3 . . 4.660 3.701 3.545 3.826 . 0 0 "[ . 1 . 2]" 1
325 2 49 ASP HB3 2 53 LEU HB2 . . 5.500 5.500 5.425 5.524 0.024 14 0 "[ . 1 . 2]" 1
326 2 49 ASP HB3 2 52 GLU QG . . 4.690 2.654 2.106 3.127 . 0 0 "[ . 1 . 2]" 1
327 2 49 ASP HB2 2 52 GLU QG . . 4.570 3.287 2.881 3.568 . 0 0 "[ . 1 . 2]" 1
328 2 49 ASP HB2 2 52 GLU QB . . 4.770 3.654 3.175 3.975 . 0 0 "[ . 1 . 2]" 1
329 2 48 ILE MG 2 49 ASP HB2 . . 4.870 2.398 2.202 2.625 . 0 0 "[ . 1 . 2]" 1
330 2 41 ILE MD 2 67 VAL HA . . 4.700 3.899 2.806 4.360 . 0 0 "[ . 1 . 2]" 1
331 1 4 PHE QD 2 44 MET ME . . 5.500 5.250 4.999 5.555 0.055 11 0 "[ . 1 . 2]" 1
332 2 7 ALA MB 2 54 LEU MD1 . . 3.150 2.300 1.846 3.151 0.001 3 0 "[ . 1 . 2]" 1
333 2 6 THR HB 2 7 ALA MB . . 4.130 3.875 3.563 4.122 . 0 0 "[ . 1 . 2]" 1
334 2 73 VAL HA 2 76 ALA MB . . 3.530 2.807 2.304 3.475 . 0 0 "[ . 1 . 2]" 1
335 2 7 ALA MB 2 8 SER HA . . 4.010 3.779 3.650 3.939 . 0 0 "[ . 1 . 2]" 1
336 2 30 ILE MG 2 67 VAL MG1 . . 3.370 2.399 2.084 2.706 . 0 0 "[ . 1 . 2]" 1
337 2 36 THR MG 2 37 LEU HG . . 3.620 2.298 2.016 2.542 . 0 0 "[ . 1 . 2]" 1
338 2 5 LEU MD1 2 25 ARG HB3 . . 4.180 3.257 2.482 4.304 0.124 9 0 "[ . 1 . 2]" 1
339 2 5 LEU HA 2 5 LEU MD1 . . 4.290 3.287 2.003 4.092 . 0 0 "[ . 1 . 2]" 1
340 2 10 LEU QB 2 54 LEU MD1 . . 4.190 3.612 2.647 4.193 0.003 17 0 "[ . 1 . 2]" 1
341 2 26 LEU MD2 2 29 LEU MD1 . . 3.210 2.203 1.951 2.480 . 0 0 "[ . 1 . 2]" 1
342 2 10 LEU HA 2 10 LEU MD1 . . 4.260 2.539 1.966 3.920 . 0 0 "[ . 1 . 2]" 1
343 2 10 LEU HA 2 10 LEU MD2 . . 4.260 2.726 1.997 3.800 . 0 0 "[ . 1 . 2]" 1
344 2 68 ASP HA 2 71 VAL MG1 . . 4.100 4.076 3.968 4.138 0.038 17 0 "[ . 1 . 2]" 1
345 2 33 MET HA 2 33 MET HG3 . . 3.680 3.451 3.382 3.534 . 0 0 "[ . 1 . 2]" 1
346 2 33 MET HA 2 33 MET HG2 . . 3.680 2.607 2.512 2.666 . 0 0 "[ . 1 . 2]" 1
347 2 32 ALA MB 2 33 MET HA . . 4.500 4.104 3.972 4.225 . 0 0 "[ . 1 . 2]" 1
348 2 45 LEU HA 2 45 LEU MD1 . . 3.660 2.077 1.958 2.192 . 0 0 "[ . 1 . 2]" 1
349 2 57 LEU HA 2 57 LEU MD1 . . 4.140 3.817 3.740 3.834 . 0 0 "[ . 1 . 2]" 1
350 2 22 LEU MD1 2 50 ASN HA . . 3.740 2.670 2.149 2.959 . 0 0 "[ . 1 . 2]" 1
351 2 50 ASN HA 2 53 LEU MD1 . . 3.670 1.953 1.944 1.962 . 0 0 "[ . 1 . 2]" 1
352 2 50 ASN HA 2 53 LEU HB3 . . 4.400 3.868 3.766 4.153 . 0 0 "[ . 1 . 2]" 1
353 2 50 ASN HA 2 53 LEU HB2 . . 3.910 2.276 2.157 2.534 . 0 0 "[ . 1 . 2]" 1
354 2 10 LEU QB 2 11 ALA HA . . 4.870 4.018 3.819 4.592 . 0 0 "[ . 1 . 2]" 1
355 2 25 ARG HA 2 28 PRO QD . . 4.200 2.902 2.851 2.936 . 0 0 "[ . 1 . 2]" 1
356 2 64 ARG HA 2 64 ARG QD . . 3.720 2.943 1.978 3.618 . 0 0 "[ . 1 . 2]" 1
357 2 60 PRO HA 2 63 LEU HB2 . . 4.040 3.557 3.158 4.050 0.010 2 0 "[ . 1 . 2]" 1
358 1 13 PHE HZ 2 42 THR MG . . 4.340 4.364 4.259 4.400 0.060 8 0 "[ . 1 . 2]" 1
359 2 74 LEU MD2 2 77 HIS HB2 . . 5.220 3.687 2.588 4.683 . 0 0 "[ . 1 . 2]" 1
360 2 74 LEU MD2 2 77 HIS HB3 . . 5.220 2.920 1.891 3.652 . 0 0 "[ . 1 . 2]" 1
361 1 4 PHE QE 2 45 LEU MD1 . . 4.060 3.508 2.660 4.083 0.023 3 0 "[ . 1 . 2]" 1
362 1 6 PRO HA 2 44 MET QB . . 4.630 4.248 3.462 4.670 0.040 9 0 "[ . 1 . 2]" 1
363 1 8 VAL HA 1 8 VAL MG1 . . 3.310 3.185 3.173 3.199 . 0 0 "[ . 1 . 2]" 1
364 1 4 PHE HA 1 5 VAL MG1 . . 5.500 4.458 3.309 5.709 0.209 20 0 "[ . 1 . 2]" 1
365 1 4 PHE HA 1 5 VAL MG2 . . 5.500 4.199 3.390 5.641 0.141 1 0 "[ . 1 . 2]" 1
366 1 4 PHE QD 1 6 PRO HA . . 4.120 4.094 3.707 4.371 0.251 11 0 "[ . 1 . 2]" 1
367 1 13 PHE QE 1 14 VAL HA . . 4.530 4.157 3.672 4.636 0.106 13 0 "[ . 1 . 2]" 1
368 1 13 PHE HA 1 13 PHE QD . . 3.760 3.668 3.545 3.708 . 0 0 "[ . 1 . 2]" 1
369 1 13 PHE QD 1 14 VAL HA . . 4.030 3.691 3.074 3.987 . 0 0 "[ . 1 . 2]" 1
370 1 17 PHE HA 1 17 PHE QE . . 5.500 5.621 5.600 5.637 0.137 13 0 "[ . 1 . 2]" 1
371 1 4 PHE QE 1 6 PRO HA . . 4.200 3.066 2.789 3.687 . 0 0 "[ . 1 . 2]" 1
372 1 17 PHE QE 1 18 LEU HB2 . . 4.440 3.278 2.429 4.451 0.011 15 0 "[ . 1 . 2]" 1
373 1 17 PHE QE 1 18 LEU MD2 . . 4.420 3.311 1.906 4.426 0.006 2 0 "[ . 1 . 2]" 1
374 1 17 PHE QD 1 18 LEU MD2 . . 4.560 3.552 2.004 4.580 0.020 5 0 "[ . 1 . 2]" 1
375 1 13 PHE QD 1 14 VAL MG2 . . 5.500 4.132 2.857 4.780 . 0 0 "[ . 1 . 2]" 1
376 1 8 VAL MG2 1 9 HIS HD2 . . 4.740 4.515 3.018 4.766 0.026 12 0 "[ . 1 . 2]" 1
377 1 18 LEU HG 1 19 ARG QD . . 5.500 5.058 3.344 5.686 0.186 19 0 "[ . 1 . 2]" 1
378 1 7 ASN HB3 1 10 ALA MB . . 4.320 3.877 2.660 4.328 0.008 9 0 "[ . 1 . 2]" 1
379 1 7 ASN HB2 1 10 ALA MB . . 4.320 3.850 2.409 4.331 0.011 16 0 "[ . 1 . 2]" 1
380 2 73 VAL H 2 74 LEU H . . 3.420 2.694 2.542 2.740 . 0 0 "[ . 1 . 2]" 1
381 2 74 LEU H 2 76 ALA H . . 4.040 3.840 3.509 4.097 0.057 17 0 "[ . 1 . 2]" 1
382 2 76 ALA H 2 77 HIS H . . 3.670 2.595 2.289 2.949 . 0 0 "[ . 1 . 2]" 1
383 2 17 GLU H 2 18 GLN H . . 3.000 2.237 1.898 2.462 . 0 0 "[ . 1 . 2]" 1
384 2 21 MET H 2 22 LEU H . . 3.370 2.872 2.813 2.906 . 0 0 "[ . 1 . 2]" 1
385 2 20 GLN H 2 21 MET H . . 3.280 2.718 2.633 2.838 . 0 0 "[ . 1 . 2]" 1
386 2 26 LEU H 2 27 PHE H . . 3.530 2.445 2.442 2.451 . 0 0 "[ . 1 . 2]" 1
387 2 54 LEU H 2 55 HIS H . . 3.370 2.802 2.760 2.842 . 0 0 "[ . 1 . 2]" 1
388 2 33 MET H 2 34 HIS H . . 3.030 2.286 2.218 2.422 . 0 0 "[ . 1 . 2]" 1
389 2 32 ALA H 2 33 MET H . . 3.060 2.489 2.352 2.575 . 0 0 "[ . 1 . 2]" 1
390 2 32 ALA H 2 34 HIS H . . 4.390 4.381 4.336 4.403 0.013 8 0 "[ . 1 . 2]" 1
391 2 57 LEU H 2 58 GLU H . . 3.110 2.913 2.850 2.983 . 0 0 "[ . 1 . 2]" 1
392 2 51 SER H 2 52 GLU H . . 3.210 2.754 2.695 2.802 . 0 0 "[ . 1 . 2]" 1
393 2 52 GLU H 2 53 LEU H . . 3.120 2.547 2.397 2.631 . 0 0 "[ . 1 . 2]" 1
394 2 70 ALA H 2 71 VAL H . . 3.640 2.816 2.753 2.859 . 0 0 "[ . 1 . 2]" 1
395 2 13 ALA H 2 13 ALA MB . . 2.830 2.217 2.082 2.368 . 0 0 "[ . 1 . 2]" 1
396 2 82 ALA H 2 82 ALA MB . . 3.660 2.374 2.111 2.851 . 0 0 "[ . 1 . 2]" 1
397 2 2 GLN HA 2 3 GLU H . . 3.060 2.430 2.140 3.087 0.027 7 0 "[ . 1 . 2]" 1
398 2 51 SER QB 2 52 GLU H . . 3.580 2.457 2.343 2.719 . 0 0 "[ . 1 . 2]" 1
399 2 49 ASP HB3 2 52 GLU H . . 3.680 2.317 2.133 2.382 . 0 0 "[ . 1 . 2]" 1
400 2 52 GLU H 2 52 GLU QG . . 3.470 2.226 2.082 2.384 . 0 0 "[ . 1 . 2]" 1
401 2 52 GLU H 2 52 GLU QB . . 3.040 2.470 2.389 2.591 . 0 0 "[ . 1 . 2]" 1
402 2 48 ILE H 2 48 ILE HB . . 3.330 2.552 2.529 2.615 . 0 0 "[ . 1 . 2]" 1
403 2 7 ALA H 2 7 ALA MB . . 3.460 2.126 2.025 2.246 . 0 0 "[ . 1 . 2]" 1
404 2 30 ILE H 2 31 GLN H . . 3.220 2.462 2.455 2.470 . 0 0 "[ . 1 . 2]" 1
405 2 31 GLN H 2 32 ALA H . . 3.320 2.681 2.671 2.697 . 0 0 "[ . 1 . 2]" 1
406 2 31 GLN H 2 31 GLN QG . . 4.140 3.963 3.870 4.038 . 0 0 "[ . 1 . 2]" 1
407 2 31 GLN H 2 31 GLN HB3 . . 3.230 2.399 2.268 2.611 . 0 0 "[ . 1 . 2]" 1
408 2 30 ILE HB 2 31 GLN H . . 3.390 3.123 3.079 3.148 . 0 0 "[ . 1 . 2]" 1
409 2 31 GLN H 2 31 GLN HB2 . . 3.150 2.656 2.438 2.808 . 0 0 "[ . 1 . 2]" 1
410 2 31 GLN H 2 38 ALA MB . . 3.570 3.316 3.188 3.438 . 0 0 "[ . 1 . 2]" 1
411 2 30 ILE MG 2 31 GLN H . . 4.040 3.847 3.815 3.881 . 0 0 "[ . 1 . 2]" 1
412 2 4 PRO HA 2 5 LEU H . . 2.670 2.586 2.538 2.675 0.005 13 0 "[ . 1 . 2]" 1
413 2 49 ASP HA 2 50 ASN H . . 2.860 2.152 2.140 2.164 . 0 0 "[ . 1 . 2]" 1
414 2 50 ASN H 2 50 ASN HB3 . . 3.700 3.587 3.576 3.596 . 0 0 "[ . 1 . 2]" 1
415 2 49 ASP HB3 2 50 ASN H . . 3.850 3.667 3.543 3.786 . 0 0 "[ . 1 . 2]" 1
416 2 4 PRO HB2 2 5 LEU H . . 3.490 2.186 1.998 2.288 . 0 0 "[ . 1 . 2]" 1
417 2 4 PRO HG2 2 5 LEU H . . 4.150 4.063 3.883 4.158 0.008 8 0 "[ . 1 . 2]" 1
418 2 4 PRO HB3 2 5 LEU H . . 3.610 3.256 3.181 3.299 . 0 0 "[ . 1 . 2]" 1
419 2 5 LEU H 2 5 LEU HG . . 4.500 3.287 2.043 4.468 . 0 0 "[ . 1 . 2]" 1
420 2 5 LEU H 2 5 LEU MD1 . . 4.460 3.208 1.895 4.127 . 0 0 "[ . 1 . 2]" 1
421 2 71 VAL HA 2 74 LEU H . . 4.050 3.831 3.464 3.927 . 0 0 "[ . 1 . 2]" 1
422 2 78 GLN QB 2 79 ALA H . . 4.050 3.209 2.099 3.856 . 0 0 "[ . 1 . 2]" 1
423 2 73 VAL HB 2 74 LEU H . . 3.910 3.669 3.496 3.711 . 0 0 "[ . 1 . 2]" 1
424 2 74 LEU H 2 74 LEU HB3 . . 2.890 2.419 2.336 2.871 . 0 0 "[ . 1 . 2]" 1
425 2 79 ALA H 2 79 ALA MB . . 3.420 2.603 2.054 2.894 . 0 0 "[ . 1 . 2]" 1
426 2 73 VAL MG2 2 74 LEU H . . 4.490 4.253 4.203 4.309 . 0 0 "[ . 1 . 2]" 1
427 2 73 VAL MG1 2 74 LEU H . . 3.280 2.335 2.228 2.516 . 0 0 "[ . 1 . 2]" 1
428 2 8 SER QB 2 9 MET H . . 3.800 2.769 2.283 3.250 . 0 0 "[ . 1 . 2]" 1
429 2 9 MET H 2 9 MET QB . . 3.210 2.277 2.225 2.422 . 0 0 "[ . 1 . 2]" 1
430 2 63 LEU H 2 64 ARG H . . 3.270 2.983 2.873 3.070 . 0 0 "[ . 1 . 2]" 1
431 2 62 SER QB 2 63 LEU H . . 3.410 2.654 2.414 2.891 . 0 0 "[ . 1 . 2]" 1
432 2 63 LEU H 2 63 LEU HB3 . . 3.050 2.512 2.436 2.673 . 0 0 "[ . 1 . 2]" 1
433 2 63 LEU H 2 63 LEU HB2 . . 3.150 2.505 2.353 2.581 . 0 0 "[ . 1 . 2]" 1
434 2 63 LEU H 2 63 LEU HG . . 4.740 4.481 4.441 4.568 . 0 0 "[ . 1 . 2]" 1
435 2 75 GLN H 2 76 ALA H . . 3.360 2.716 2.513 2.791 . 0 0 "[ . 1 . 2]" 1
436 2 73 VAL HA 2 76 ALA H . . 3.890 3.661 3.398 3.871 . 0 0 "[ . 1 . 2]" 1
437 2 37 LEU HB3 2 38 ALA H . . 4.940 4.544 4.540 4.549 . 0 0 "[ . 1 . 2]" 1
438 2 37 LEU HG 2 38 ALA H . . 5.400 4.843 4.799 4.863 . 0 0 "[ . 1 . 2]" 1
439 2 76 ALA H 2 76 ALA MB . . 2.770 2.163 2.030 2.285 . 0 0 "[ . 1 . 2]" 1
440 2 38 ALA H 2 38 ALA MB . . 2.820 2.202 2.037 2.236 . 0 0 "[ . 1 . 2]" 1
441 2 53 LEU H 2 53 LEU MD1 . . 3.540 3.193 3.082 3.235 . 0 0 "[ . 1 . 2]" 1
442 2 52 GLU QB 2 53 LEU H . . 3.350 2.467 2.380 2.549 . 0 0 "[ . 1 . 2]" 1
443 2 53 LEU H 2 53 LEU HB2 . . 3.610 2.481 2.427 2.569 . 0 0 "[ . 1 . 2]" 1
444 2 71 VAL HB 2 72 ALA H . . 3.580 2.741 2.479 2.874 . 0 0 "[ . 1 . 2]" 1
445 2 53 LEU H 2 53 LEU HG . . 3.270 2.274 2.125 2.374 . 0 0 "[ . 1 . 2]" 1
446 2 72 ALA H 2 72 ALA MB . . 3.040 2.159 2.049 2.255 . 0 0 "[ . 1 . 2]" 1
447 2 53 LEU H 2 53 LEU MD2 . . 3.890 3.692 3.620 3.757 . 0 0 "[ . 1 . 2]" 1
448 2 71 VAL MG1 2 72 ALA H . . 3.880 3.565 3.266 3.686 . 0 0 "[ . 1 . 2]" 1
449 2 66 LYS H 2 67 VAL H . . 3.660 2.835 2.743 2.961 . 0 0 "[ . 1 . 2]" 1
450 2 67 VAL H 2 67 VAL HB . . 3.400 2.627 2.570 2.694 . 0 0 "[ . 1 . 2]" 1
451 2 67 VAL H 2 67 VAL MG1 . . 3.890 3.762 3.756 3.766 . 0 0 "[ . 1 . 2]" 1
452 2 67 VAL H 2 67 VAL MG2 . . 3.360 2.133 2.033 2.243 . 0 0 "[ . 1 . 2]" 1
453 2 49 ASP H 2 49 ASP HB2 . . 3.190 3.179 3.139 3.199 0.009 8 0 "[ . 1 . 2]" 1
454 2 48 ILE MG 2 49 ASP H . . 3.390 2.900 2.824 3.064 . 0 0 "[ . 1 . 2]" 1
455 2 80 LYS HA 2 81 GLU H . . 3.450 2.517 2.144 3.459 0.009 8 0 "[ . 1 . 2]" 1
456 2 69 GLU H 2 70 ALA H . . 3.270 2.829 2.775 2.885 . 0 0 "[ . 1 . 2]" 1
457 2 69 GLU H 2 69 GLU QG . . 3.300 2.467 2.171 2.618 . 0 0 "[ . 1 . 2]" 1
458 2 69 GLU H 2 69 GLU HB3 . . 3.620 3.565 3.543 3.592 . 0 0 "[ . 1 . 2]" 1
459 2 69 GLU H 2 69 GLU HB2 . . 3.620 2.360 2.281 2.539 . 0 0 "[ . 1 . 2]" 1
460 2 16 GLN H 2 17 GLU H . . 4.040 2.268 2.148 2.429 . 0 0 "[ . 1 . 2]" 1
461 2 16 GLN QB 2 17 GLU H . . 3.400 2.987 2.739 3.432 0.032 10 0 "[ . 1 . 2]" 1
462 2 29 LEU HG 2 30 ILE H . . 4.850 4.491 4.455 4.544 . 0 0 "[ . 1 . 2]" 1
463 2 30 ILE H 2 31 GLN HB3 . . 5.260 4.629 4.495 4.870 . 0 0 "[ . 1 . 2]" 1
464 2 44 MET H 2 45 LEU H . . 3.750 2.636 2.587 2.712 . 0 0 "[ . 1 . 2]" 1
465 2 44 MET QB 2 45 LEU H . . 3.650 2.849 2.234 3.379 . 0 0 "[ . 1 . 2]" 1
466 2 45 LEU H 2 45 LEU HB2 . . 3.050 2.129 2.107 2.147 . 0 0 "[ . 1 . 2]" 1
467 2 45 LEU H 2 45 LEU HB3 . . 3.510 3.452 3.428 3.468 . 0 0 "[ . 1 . 2]" 1
468 2 26 LEU H 2 26 LEU MD1 . . 3.330 3.315 3.235 3.345 0.015 19 0 "[ . 1 . 2]" 1
469 2 53 LEU HA 2 56 MET H . . 3.840 2.964 2.898 3.039 . 0 0 "[ . 1 . 2]" 1
470 2 55 HIS HB3 2 56 MET H . . 4.040 2.984 2.816 3.034 . 0 0 "[ . 1 . 2]" 1
471 2 55 HIS HB2 2 56 MET H . . 4.040 3.851 3.766 3.987 . 0 0 "[ . 1 . 2]" 1
472 2 56 MET H 2 56 MET QG . . 3.260 2.528 2.309 2.935 . 0 0 "[ . 1 . 2]" 1
473 2 56 MET H 2 56 MET HB3 . . 3.640 3.365 2.165 3.585 . 0 0 "[ . 1 . 2]" 1
474 2 56 MET H 2 56 MET HB2 . . 3.640 2.533 2.298 3.520 . 0 0 "[ . 1 . 2]" 1
475 2 45 LEU H 2 45 LEU HG . . 4.350 4.108 4.052 4.200 . 0 0 "[ . 1 . 2]" 1
476 2 26 LEU H 2 26 LEU HG . . 3.100 2.702 2.540 2.753 . 0 0 "[ . 1 . 2]" 1
477 2 26 LEU H 2 26 LEU HB2 . . 3.620 2.322 2.300 2.389 . 0 0 "[ . 1 . 2]" 1
478 2 27 PHE HA 2 30 ILE H . . 4.400 4.245 4.207 4.284 . 0 0 "[ . 1 . 2]" 1
479 2 29 LEU HB3 2 30 ILE H . . 3.560 3.111 3.006 3.196 . 0 0 "[ . 1 . 2]" 1
480 2 30 ILE H 2 30 ILE HB . . 3.030 2.528 2.518 2.546 . 0 0 "[ . 1 . 2]" 1
481 2 29 LEU HB2 2 30 ILE H . . 3.680 2.356 2.303 2.432 . 0 0 "[ . 1 . 2]" 1
482 2 30 ILE H 2 30 ILE HG13 . . 3.210 2.291 2.254 2.320 . 0 0 "[ . 1 . 2]" 1
483 2 67 VAL H 2 68 ASP H . . 3.170 2.922 2.853 2.960 . 0 0 "[ . 1 . 2]" 1
484 2 68 ASP H 2 69 GLU H . . 3.220 2.735 2.623 2.779 . 0 0 "[ . 1 . 2]" 1
485 2 68 ASP H 2 68 ASP HB3 . . 3.290 2.708 2.489 2.880 . 0 0 "[ . 1 . 2]" 1
486 2 68 ASP H 2 68 ASP HB2 . . 3.290 2.368 2.229 2.572 . 0 0 "[ . 1 . 2]" 1
487 2 67 VAL HB 2 68 ASP H . . 3.140 2.309 2.190 2.519 . 0 0 "[ . 1 . 2]" 1
488 2 67 VAL MG1 2 68 ASP H . . 3.530 3.274 3.108 3.514 . 0 0 "[ . 1 . 2]" 1
489 2 67 VAL MG2 2 68 ASP H . . 3.860 3.698 3.627 3.742 . 0 0 "[ . 1 . 2]" 1
490 2 15 PRO HA 2 18 GLN H . . 3.800 3.567 3.268 3.828 0.028 5 0 "[ . 1 . 2]" 1
491 2 18 GLN H 2 18 GLN QG . . 3.220 2.587 2.156 3.028 . 0 0 "[ . 1 . 2]" 1
492 2 18 GLN H 2 18 GLN HB3 . . 3.760 3.547 3.482 3.594 . 0 0 "[ . 1 . 2]" 1
493 2 17 GLU HB3 2 18 GLN H . . 4.060 3.619 2.743 3.855 . 0 0 "[ . 1 . 2]" 1
494 2 17 GLU HB2 2 18 GLN H . . 4.060 3.075 2.395 4.080 0.020 18 0 "[ . 1 . 2]" 1
495 2 18 GLN H 2 18 GLN HB2 . . 3.760 2.316 2.172 2.593 . 0 0 "[ . 1 . 2]" 1
496 2 22 LEU H 2 23 GLY H . . 3.370 2.893 2.858 2.934 . 0 0 "[ . 1 . 2]" 1
497 2 43 GLY H 2 44 MET H . . 3.900 2.790 2.724 2.835 . 0 0 "[ . 1 . 2]" 1
498 2 77 HIS H 2 78 GLN H . . 4.480 3.634 2.408 4.552 0.072 15 0 "[ . 1 . 2]" 1
499 2 21 MET HG3 2 22 LEU H . . 4.570 4.198 3.891 4.548 . 0 0 "[ . 1 . 2]" 1
500 2 21 MET HG2 2 22 LEU H . . 4.570 4.537 4.277 4.722 0.152 8 0 "[ . 1 . 2]" 1
501 2 21 MET HB3 2 22 LEU H . . 3.540 3.263 3.009 3.394 . 0 0 "[ . 1 . 2]" 1
502 2 21 MET HB2 2 22 LEU H . . 3.540 2.211 2.141 2.399 . 0 0 "[ . 1 . 2]" 1
503 2 22 LEU H 2 22 LEU HG . . 3.190 2.427 2.012 2.571 . 0 0 "[ . 1 . 2]" 1
504 2 22 LEU H 2 22 LEU MD2 . . 3.600 3.535 3.380 3.620 0.020 9 0 "[ . 1 . 2]" 1
505 2 19 LYS H 2 20 GLN H . . 3.310 2.885 2.768 3.008 . 0 0 "[ . 1 . 2]" 1
506 2 19 LYS HB2 2 20 GLN H . . 4.070 3.065 2.143 3.923 . 0 0 "[ . 1 . 2]" 1
507 2 77 HIS HB3 2 78 GLN H . . 4.220 2.749 1.967 4.110 . 0 0 "[ . 1 . 2]" 1
508 2 78 GLN H 2 78 GLN QG . . 4.130 3.703 1.951 4.171 0.041 2 0 "[ . 1 . 2]" 1
509 2 9 MET QB 2 10 LEU H . . 3.430 2.704 2.093 3.500 0.070 8 0 "[ . 1 . 2]" 1
510 2 10 LEU H 2 10 LEU QB . . 2.870 2.177 2.060 2.622 . 0 0 "[ . 1 . 2]" 1
511 2 7 ALA MB 2 10 LEU H . . 5.120 4.594 4.276 4.948 . 0 0 "[ . 1 . 2]" 1
512 2 10 LEU H 2 11 ALA MB . . 5.410 4.305 4.099 4.748 . 0 0 "[ . 1 . 2]" 1
513 2 24 GLU H 2 25 ARG H . . 3.890 2.760 2.699 2.827 . 0 0 "[ . 1 . 2]" 1
514 2 77 HIS H 2 77 HIS HB3 . . 3.620 2.757 2.328 3.359 . 0 0 "[ . 1 . 2]" 1
515 2 77 HIS H 2 77 HIS HB2 . . 3.620 2.522 2.097 3.479 . 0 0 "[ . 1 . 2]" 1
516 2 76 ALA MB 2 77 HIS H . . 3.660 2.843 2.287 3.639 . 0 0 "[ . 1 . 2]" 1
517 2 73 VAL H 2 73 VAL HB . . 3.500 2.142 2.118 2.163 . 0 0 "[ . 1 . 2]" 1
518 2 72 ALA MB 2 73 VAL H . . 3.540 2.725 2.602 2.811 . 0 0 "[ . 1 . 2]" 1
519 2 73 VAL H 2 73 VAL MG2 . . 3.660 3.500 3.388 3.555 . 0 0 "[ . 1 . 2]" 1
520 2 71 VAL H 2 72 ALA H . . 3.570 2.800 2.771 2.835 . 0 0 "[ . 1 . 2]" 1
521 2 71 VAL H 2 71 VAL HB . . 3.200 2.588 2.536 2.616 . 0 0 "[ . 1 . 2]" 1
522 2 70 ALA MB 2 71 VAL H . . 3.440 2.236 2.141 2.430 . 0 0 "[ . 1 . 2]" 1
523 2 71 VAL H 2 71 VAL MG1 . . 3.790 3.766 3.763 3.767 . 0 0 "[ . 1 . 2]" 1
524 2 71 VAL H 2 71 VAL MG2 . . 3.200 2.088 1.929 2.298 . 0 0 "[ . 1 . 2]" 1
525 2 74 LEU HB3 2 75 GLN H . . 3.590 2.417 2.216 2.757 . 0 0 "[ . 1 . 2]" 1
526 2 41 ILE H 2 41 ILE MD . . 3.670 3.326 3.292 3.363 . 0 0 "[ . 1 . 2]" 1
527 2 60 PRO HD3 2 61 GLU H . . 4.330 3.945 3.934 3.950 . 0 0 "[ . 1 . 2]" 1
528 2 61 GLU H 2 62 SER QB . . 4.640 4.204 4.005 4.514 . 0 0 "[ . 1 . 2]" 1
529 2 27 PHE H 2 27 PHE QB . . 3.180 2.167 2.160 2.174 . 0 0 "[ . 1 . 2]" 1
530 2 61 GLU H 2 61 GLU QG . . 3.750 2.059 1.934 2.400 . 0 0 "[ . 1 . 2]" 1
531 2 75 GLN H 2 75 GLN HG2 . . 3.970 2.343 2.030 2.560 . 0 0 "[ . 1 . 2]" 1
532 2 60 PRO HG2 2 61 GLU H . . 3.550 3.044 3.005 3.065 . 0 0 "[ . 1 . 2]" 1
533 2 61 GLU H 2 61 GLU QB . . 3.680 2.678 2.568 2.783 . 0 0 "[ . 1 . 2]" 1
534 2 26 LEU HB3 2 27 PHE H . . 4.000 3.845 3.806 3.965 . 0 0 "[ . 1 . 2]" 1
535 2 26 LEU HB2 2 27 PHE H . . 3.990 3.051 3.014 3.108 . 0 0 "[ . 1 . 2]" 1
536 2 26 LEU MD1 2 27 PHE H . . 4.680 4.649 4.583 4.679 . 0 0 "[ . 1 . 2]" 1
537 2 21 MET H 2 21 MET HG3 . . 3.440 2.680 2.086 3.428 . 0 0 "[ . 1 . 2]" 1
538 2 21 MET H 2 21 MET HG2 . . 3.440 2.702 2.242 3.164 . 0 0 "[ . 1 . 2]" 1
539 2 53 LEU H 2 54 LEU H . . 3.410 2.844 2.819 2.899 . 0 0 "[ . 1 . 2]" 1
540 2 53 LEU HB2 2 54 LEU H . . 3.560 2.512 2.378 2.568 . 0 0 "[ . 1 . 2]" 1
541 2 64 ARG H 2 64 ARG QG . . 3.070 2.302 1.918 2.577 . 0 0 "[ . 1 . 2]" 1
542 2 54 LEU H 2 54 LEU HB3 . . 3.610 3.166 2.733 3.528 . 0 0 "[ . 1 . 2]" 1
543 2 54 LEU H 2 54 LEU HB2 . . 3.610 2.168 2.050 2.306 . 0 0 "[ . 1 . 2]" 1
544 2 63 LEU HG 2 64 ARG H . . 3.970 3.338 2.977 3.660 . 0 0 "[ . 1 . 2]" 1
545 2 53 LEU HB3 2 54 LEU H . . 3.880 3.493 3.435 3.543 . 0 0 "[ . 1 . 2]" 1
546 2 54 LEU HB3 2 55 HIS H . . 4.030 3.038 2.686 3.457 . 0 0 "[ . 1 . 2]" 1
547 2 54 LEU HB2 2 55 HIS H . . 4.030 3.387 2.862 3.930 . 0 0 "[ . 1 . 2]" 1
548 2 52 GLU HA 2 55 HIS H . . 3.670 3.540 3.497 3.569 . 0 0 "[ . 1 . 2]" 1
549 2 55 HIS H 2 55 HIS HB3 . . 3.240 2.760 2.506 2.863 . 0 0 "[ . 1 . 2]" 1
550 2 55 HIS H 2 55 HIS HB2 . . 3.240 2.481 2.363 2.746 . 0 0 "[ . 1 . 2]" 1
551 2 54 LEU MD2 2 55 HIS H . . 4.960 4.329 3.295 4.712 . 0 0 "[ . 1 . 2]" 1
552 2 55 HIS H 2 57 LEU MD2 . . 5.500 4.902 4.538 5.287 . 0 0 "[ . 1 . 2]" 1
553 2 61 GLU H 2 62 SER H . . 3.990 2.282 2.218 2.377 . 0 0 "[ . 1 . 2]" 1
554 2 62 SER H 2 62 SER QB . . 3.270 2.422 2.267 2.623 . 0 0 "[ . 1 . 2]" 1
555 2 61 GLU QG 2 62 SER H . . 3.950 2.555 2.273 2.852 . 0 0 "[ . 1 . 2]" 1
556 2 61 GLU QB 2 62 SER H . . 3.890 3.675 3.592 3.852 . 0 0 "[ . 1 . 2]" 1
557 2 10 LEU QB 2 11 ALA H . . 3.230 2.919 2.708 3.126 . 0 0 "[ . 1 . 2]" 1
558 2 11 ALA H 2 11 ALA MB . . 2.900 2.272 2.025 2.897 . 0 0 "[ . 1 . 2]" 1
559 2 10 LEU MD1 2 11 ALA H . . 5.500 4.678 3.338 4.963 . 0 0 "[ . 1 . 2]" 1
560 2 10 LEU MD2 2 11 ALA H . . 5.500 4.325 3.130 4.957 . 0 0 "[ . 1 . 2]" 1
561 2 29 LEU H 2 30 ILE H . . 3.090 2.881 2.845 2.928 . 0 0 "[ . 1 . 2]" 1
562 2 29 LEU H 2 29 LEU HB3 . . 3.700 3.558 3.539 3.569 . 0 0 "[ . 1 . 2]" 1
563 2 29 LEU H 2 29 LEU HG . . 2.930 2.540 2.453 2.668 . 0 0 "[ . 1 . 2]" 1
564 2 29 LEU H 2 29 LEU HB2 . . 3.410 2.332 2.272 2.375 . 0 0 "[ . 1 . 2]" 1
565 2 16 GLN H 2 16 GLN QB . . 3.540 2.389 2.181 2.839 . 0 0 "[ . 1 . 2]" 1
566 2 45 LEU H 2 46 LEU H . . 3.330 2.895 2.828 2.959 . 0 0 "[ . 1 . 2]" 1
567 2 46 LEU H 2 46 LEU HG . . 2.960 2.796 2.311 2.979 0.019 20 0 "[ . 1 . 2]" 1
568 2 45 LEU HB3 2 46 LEU H . . 4.000 2.801 2.707 3.034 . 0 0 "[ . 1 . 2]" 1
569 2 46 LEU H 2 46 LEU MD2 . . 3.370 3.244 3.143 3.335 . 0 0 "[ . 1 . 2]" 1
570 2 56 MET H 2 57 LEU H . . 3.340 2.546 2.490 2.634 . 0 0 "[ . 1 . 2]" 1
571 2 34 HIS H 2 34 HIS HB3 . . 4.120 3.802 3.741 3.825 . 0 0 "[ . 1 . 2]" 1
572 2 34 HIS H 2 34 HIS HB2 . . 3.440 2.688 2.599 2.730 . 0 0 "[ . 1 . 2]" 1
573 2 33 MET HB2 2 34 HIS H . . 3.460 2.167 2.124 2.213 . 0 0 "[ . 1 . 2]" 1
574 2 57 LEU H 2 57 LEU HB2 . . 3.000 2.744 2.674 2.763 . 0 0 "[ . 1 . 2]" 1
575 2 33 MET HB3 2 34 HIS H . . 3.920 3.485 3.377 3.545 . 0 0 "[ . 1 . 2]" 1
576 2 57 LEU H 2 57 LEU HG . . 3.070 2.023 2.001 2.150 . 0 0 "[ . 1 . 2]" 1
577 2 57 LEU H 2 57 LEU HB3 . . 3.630 3.570 3.568 3.579 . 0 0 "[ . 1 . 2]" 1
578 2 57 LEU H 2 57 LEU MD1 . . 3.720 3.666 3.654 3.745 0.025 15 0 "[ . 1 . 2]" 1
579 2 57 LEU H 2 57 LEU MD2 . . 3.330 2.446 2.401 2.517 . 0 0 "[ . 1 . 2]" 1
580 2 57 LEU HA 2 58 GLU H . . 3.570 3.554 3.538 3.568 . 0 0 "[ . 1 . 2]" 1
581 2 47 GLU H 2 47 GLU QG . . 4.050 3.835 2.994 4.054 0.004 18 0 "[ . 1 . 2]" 1
582 2 58 GLU H 2 58 GLU QG . . 3.190 2.173 2.022 2.377 . 0 0 "[ . 1 . 2]" 1
583 2 47 GLU H 2 47 GLU HB2 . . 3.630 2.685 2.149 3.476 . 0 0 "[ . 1 . 2]" 1
584 2 46 LEU HG 2 47 GLU H . . 3.900 2.372 2.278 2.506 . 0 0 "[ . 1 . 2]" 1
585 2 57 LEU HG 2 58 GLU H . . 4.040 3.958 3.887 4.045 0.005 4 0 "[ . 1 . 2]" 1
586 2 57 LEU HB3 2 58 GLU H . . 3.780 3.657 3.531 3.785 0.005 20 0 "[ . 1 . 2]" 1
587 2 57 LEU MD2 2 58 GLU H . . 4.440 4.409 4.369 4.451 0.011 4 0 "[ . 1 . 2]" 1
588 2 46 LEU MD1 2 47 GLU H . . 4.150 3.271 2.788 3.477 . 0 0 "[ . 1 . 2]" 1
589 2 31 GLN QG 2 32 ALA H . . 4.290 3.859 3.569 4.270 . 0 0 "[ . 1 . 2]" 1
590 2 31 GLN HB3 2 32 ALA H . . 3.480 3.099 2.995 3.175 . 0 0 "[ . 1 . 2]" 1
591 2 32 ALA H 2 32 ALA MB . . 2.680 2.160 2.072 2.277 . 0 0 "[ . 1 . 2]" 1
592 2 31 GLN HB2 2 32 ALA H . . 4.360 4.209 4.050 4.288 . 0 0 "[ . 1 . 2]" 1
593 2 30 ILE MG 2 32 ALA H . . 4.500 4.458 4.408 4.509 0.009 9 0 "[ . 1 . 2]" 1
594 2 41 ILE H 2 42 THR H . . 3.570 2.647 2.614 2.670 . 0 0 "[ . 1 . 2]" 1
595 2 42 THR H 2 43 GLY H . . 3.850 2.613 2.527 2.673 . 0 0 "[ . 1 . 2]" 1
596 2 42 THR H 2 42 THR HB . . 3.400 2.390 2.361 2.417 . 0 0 "[ . 1 . 2]" 1
597 2 41 ILE HB 2 42 THR H . . 4.060 3.861 3.741 3.964 . 0 0 "[ . 1 . 2]" 1
598 2 25 ARG H 2 26 LEU H . . 3.010 2.450 2.445 2.453 . 0 0 "[ . 1 . 2]" 1
599 2 25 ARG H 2 25 ARG HB3 . . 3.560 3.243 2.779 3.609 0.049 4 0 "[ . 1 . 2]" 1
600 2 25 ARG H 2 25 ARG HB2 . . 3.560 2.421 2.299 2.552 . 0 0 "[ . 1 . 2]" 1
601 2 30 ILE HA 2 33 MET H . . 3.930 3.525 3.170 3.762 . 0 0 "[ . 1 . 2]" 1
602 2 33 MET H 2 33 MET HG3 . . 3.700 2.743 2.421 2.984 . 0 0 "[ . 1 . 2]" 1
603 2 33 MET H 2 33 MET HG2 . . 3.700 3.458 3.185 3.701 0.001 11 0 "[ . 1 . 2]" 1
604 2 33 MET H 2 33 MET HB2 . . 3.370 2.795 2.631 2.922 . 0 0 "[ . 1 . 2]" 1
605 2 33 MET H 2 33 MET HB3 . . 4.140 3.813 3.714 3.901 . 0 0 "[ . 1 . 2]" 1
606 2 32 ALA MB 2 33 MET H . . 3.600 3.259 3.038 3.447 . 0 0 "[ . 1 . 2]" 1
607 2 50 ASN H 2 51 SER H . . 3.780 2.592 2.552 2.682 . 0 0 "[ . 1 . 2]" 1
608 2 51 SER H 2 51 SER QB . . 3.170 2.244 2.120 2.371 . 0 0 "[ . 1 . 2]" 1
609 2 50 ASN HB3 2 51 SER H . . 4.080 3.863 3.781 4.039 . 0 0 "[ . 1 . 2]" 1
610 2 58 GLU HA 2 59 SER H . . 3.460 3.008 2.928 3.121 . 0 0 "[ . 1 . 2]" 1
611 2 59 SER H 2 59 SER HB3 . . 3.580 3.018 2.767 3.490 . 0 0 "[ . 1 . 2]" 1
612 2 59 SER H 2 59 SER HB2 . . 3.580 2.696 2.521 2.889 . 0 0 "[ . 1 . 2]" 1
613 2 57 LEU H 2 59 SER H . . 4.200 3.995 3.831 4.164 . 0 0 "[ . 1 . 2]" 1
614 2 56 MET HA 2 59 SER H . . 3.780 3.250 3.041 3.408 . 0 0 "[ . 1 . 2]" 1
615 2 58 GLU QG 2 59 SER H . . 4.530 3.706 3.464 4.531 0.001 13 0 "[ . 1 . 2]" 1
616 2 5 LEU HA 2 6 THR H . . 2.840 2.320 2.145 2.519 . 0 0 "[ . 1 . 2]" 1
617 2 19 LYS H 2 19 LYS HB2 . . 3.860 2.753 2.188 3.589 . 0 0 "[ . 1 . 2]" 1
618 2 5 LEU HB3 2 6 THR H . . 4.280 2.921 2.219 4.106 . 0 0 "[ . 1 . 2]" 1
619 2 6 THR H 2 6 THR MG . . 3.670 3.155 2.794 3.649 . 0 0 "[ . 1 . 2]" 1
620 2 5 LEU MD1 2 6 THR H . . 4.590 4.246 3.070 4.635 0.045 4 0 "[ . 1 . 2]" 1
621 2 5 LEU HB2 2 6 THR H . . 4.280 3.575 2.511 4.342 0.062 17 0 "[ . 1 . 2]" 1
622 2 64 ARG H 2 65 SER H . . 3.240 2.817 2.755 2.966 . 0 0 "[ . 1 . 2]" 1
623 2 65 SER H 2 66 LYS H . . 3.290 2.842 2.740 2.920 . 0 0 "[ . 1 . 2]" 1
624 2 65 SER H 2 65 SER QB . . 2.850 2.321 2.051 2.722 . 0 0 "[ . 1 . 2]" 1
625 2 64 ARG QB 2 65 SER H . . 3.500 2.930 2.199 3.508 0.008 11 0 "[ . 1 . 2]" 1
626 2 64 ARG QG 2 65 SER H . . 3.970 2.934 1.982 3.998 0.028 2 0 "[ . 1 . 2]" 1
627 2 12 SER H 2 13 ALA H . . 3.230 2.528 1.895 2.872 . 0 0 "[ . 1 . 2]" 1
628 2 11 ALA MB 2 12 SER H . . 3.720 3.012 2.478 3.688 . 0 0 "[ . 1 . 2]" 1
629 2 23 GLY H 2 24 GLU H . . 3.530 2.703 2.637 2.841 . 0 0 "[ . 1 . 2]" 1
630 2 22 LEU HB3 2 23 GLY H . . 3.870 3.298 3.138 3.555 . 0 0 "[ . 1 . 2]" 1
631 2 22 LEU HG 2 23 GLY H . . 4.700 4.493 4.250 4.584 . 0 0 "[ . 1 . 2]" 1
632 2 22 LEU HB2 2 23 GLY H . . 3.870 2.473 2.329 2.542 . 0 0 "[ . 1 . 2]" 1
633 2 42 THR HB 2 43 GLY H . . 3.570 2.738 2.511 2.960 . 0 0 "[ . 1 . 2]" 1
634 2 2 GLN H 2 2 GLN QG . . 4.420 3.355 2.121 4.220 . 0 0 "[ . 1 . 2]" 1
635 2 4 PRO HD3 2 5 LEU H . . 5.500 5.424 5.358 5.457 . 0 0 "[ . 1 . 2]" 1
636 2 4 PRO HD2 2 5 LEU H . . 5.500 5.421 5.326 5.469 . 0 0 "[ . 1 . 2]" 1
637 2 5 LEU H 2 6 THR H . . 4.660 4.507 4.426 4.618 . 0 0 "[ . 1 . 2]" 1
638 2 6 THR MG 2 7 ALA H . . 4.220 3.602 3.100 3.841 . 0 0 "[ . 1 . 2]" 1
639 2 6 THR HB 2 7 ALA H . . 3.390 2.411 1.960 2.906 . 0 0 "[ . 1 . 2]" 1
640 2 6 THR H 2 7 ALA H . . 5.270 4.389 4.306 4.456 . 0 0 "[ . 1 . 2]" 1
641 2 6 THR MG 2 9 MET H . . 4.880 4.529 4.081 4.883 0.003 18 0 "[ . 1 . 2]" 1
642 2 9 MET H 2 10 LEU H . . 3.250 2.416 2.240 2.743 . 0 0 "[ . 1 . 2]" 1
643 2 15 PRO HD2 2 16 GLN H . . 5.010 2.776 2.668 2.839 . 0 0 "[ . 1 . 2]" 1
644 2 17 GLU H 2 18 GLN HA . . 5.500 4.838 4.500 5.086 . 0 0 "[ . 1 . 2]" 1
645 2 21 MET H 2 21 MET HB2 . . 3.770 2.504 2.296 2.649 . 0 0 "[ . 1 . 2]" 1
646 2 29 LEU H 2 31 GLN H . . 4.260 3.686 3.641 3.736 . 0 0 "[ . 1 . 2]" 1
647 2 28 PRO HB3 2 29 LEU H . . 4.270 4.127 4.104 4.153 . 0 0 "[ . 1 . 2]" 1
648 2 30 ILE H 2 30 ILE MD . . 3.590 2.945 2.820 3.018 . 0 0 "[ . 1 . 2]" 1
649 2 31 GLN H 2 33 MET H . . 4.350 4.146 4.085 4.226 . 0 0 "[ . 1 . 2]" 1
650 2 30 ILE H 2 32 ALA H . . 4.530 4.268 4.235 4.304 . 0 0 "[ . 1 . 2]" 1
651 2 30 ILE HA 2 32 ALA H . . 4.240 3.510 3.459 3.566 . 0 0 "[ . 1 . 2]" 1
652 2 31 GLN HA 2 34 HIS H . . 4.090 3.839 3.684 4.016 . 0 0 "[ . 1 . 2]" 1
653 2 32 ALA MB 2 34 HIS H . . 5.300 5.120 5.050 5.203 . 0 0 "[ . 1 . 2]" 1
654 2 34 HIS H 2 38 ALA MB . . 4.460 4.280 4.098 4.468 0.008 7 0 "[ . 1 . 2]" 1
655 2 38 ALA H 2 41 ILE MD . . 4.210 3.924 3.852 4.061 . 0 0 "[ . 1 . 2]" 1
656 2 40 LYS H 2 41 ILE H . . 3.870 2.955 2.905 3.003 . 0 0 "[ . 1 . 2]" 1
657 2 41 ILE MD 2 42 THR H . . 4.350 4.006 3.872 4.144 . 0 0 "[ . 1 . 2]" 1
658 1 13 PHE HB3 2 43 GLY H . . 4.220 3.091 2.908 3.269 . 0 0 "[ . 1 . 2]" 1
659 2 42 THR MG 2 43 GLY H . . 4.150 3.289 3.050 3.487 . 0 0 "[ . 1 . 2]" 1
660 2 77 HIS HB2 2 78 GLN H . . 4.220 3.739 2.647 4.239 0.019 15 0 "[ . 1 . 2]" 1
661 2 42 THR HA 2 45 LEU H . . 4.210 3.665 3.542 3.758 . 0 0 "[ . 1 . 2]" 1
662 2 43 GLY HA2 2 46 LEU H . . 4.170 4.080 3.959 4.165 . 0 0 "[ . 1 . 2]" 1
663 2 46 LEU H 2 47 GLU H . . 3.410 2.629 2.520 2.674 . 0 0 "[ . 1 . 2]" 1
664 2 45 LEU HA 2 48 ILE H . . 4.350 3.539 3.458 3.651 . 0 0 "[ . 1 . 2]" 1
665 2 47 GLU HB2 2 48 ILE H . . 4.410 4.115 3.276 4.358 . 0 0 "[ . 1 . 2]" 1
666 2 48 ILE H 2 48 ILE MD . . 4.170 3.524 3.405 3.587 . 0 0 "[ . 1 . 2]" 1
667 2 49 ASP H 2 50 ASN H . . 4.240 3.940 3.848 3.994 . 0 0 "[ . 1 . 2]" 1
668 2 50 ASN H 2 52 GLU H . . 5.480 4.500 4.350 4.599 . 0 0 "[ . 1 . 2]" 1
669 2 51 SER H 2 53 LEU H . . 4.320 4.108 4.039 4.216 . 0 0 "[ . 1 . 2]" 1
670 2 52 GLU H 2 54 LEU H . . 4.220 4.170 4.106 4.250 0.030 14 0 "[ . 1 . 2]" 1
671 2 49 ASP H 2 52 GLU H . . 5.000 4.996 4.922 5.030 0.030 13 0 "[ . 1 . 2]" 1
672 2 51 SER HA 2 52 GLU H . . 3.560 3.556 3.535 3.564 0.004 6 0 "[ . 1 . 2]" 1
673 2 52 GLU QG 2 53 LEU H . . 4.070 3.917 3.731 4.043 . 0 0 "[ . 1 . 2]" 1
674 2 53 LEU H 2 55 HIS H . . 4.300 4.204 4.045 4.301 0.001 13 0 "[ . 1 . 2]" 1
675 2 55 HIS H 2 56 MET H . . 3.300 2.260 2.201 2.323 . 0 0 "[ . 1 . 2]" 1
676 2 55 HIS H 2 57 LEU H . . 4.170 3.917 3.692 4.068 . 0 0 "[ . 1 . 2]" 1
677 2 56 MET QG 2 57 LEU H . . 4.370 4.021 2.474 4.400 0.030 8 0 "[ . 1 . 2]" 1
678 2 56 MET H 2 58 GLU H . . 4.820 4.622 4.405 4.785 . 0 0 "[ . 1 . 2]" 1
679 2 58 GLU H 2 59 SER H . . 2.700 2.651 2.499 2.712 0.012 16 0 "[ . 1 . 2]" 1
680 2 57 LEU MD1 2 58 GLU H . . 4.580 4.421 4.261 4.567 . 0 0 "[ . 1 . 2]" 1
681 2 62 SER H 2 63 LEU H . . 3.330 2.100 2.024 2.163 . 0 0 "[ . 1 . 2]" 1
682 2 63 LEU H 2 63 LEU MD2 . . 4.190 4.173 4.157 4.216 0.026 15 0 "[ . 1 . 2]" 1
683 2 64 ARG H 2 64 ARG QD . . 4.380 3.788 2.809 4.287 . 0 0 "[ . 1 . 2]" 1
684 2 64 ARG QD 2 65 SER H . . 4.700 3.903 2.852 4.785 0.085 20 0 "[ . 1 . 2]" 1
685 2 65 SER QB 2 66 LYS H . . 4.480 2.354 2.120 2.841 . 0 0 "[ . 1 . 2]" 1
686 2 64 ARG HA 2 67 VAL H . . 4.140 3.671 3.579 3.865 . 0 0 "[ . 1 . 2]" 1
687 2 45 LEU MD1 2 67 VAL H . . 4.200 3.902 3.580 4.145 . 0 0 "[ . 1 . 2]" 1
688 2 69 GLU HB3 2 70 ALA H . . 4.250 3.311 3.190 3.467 . 0 0 "[ . 1 . 2]" 1
689 2 69 GLU HB2 2 70 ALA H . . 4.250 2.539 2.404 2.627 . 0 0 "[ . 1 . 2]" 1
690 2 70 ALA H 2 70 ALA MB . . 3.420 2.212 2.043 2.239 . 0 0 "[ . 1 . 2]" 1
691 2 71 VAL MG1 2 74 LEU H . . 4.720 4.541 4.354 4.644 . 0 0 "[ . 1 . 2]" 1
692 2 72 ALA MB 2 74 LEU H . . 4.700 4.313 4.285 4.410 . 0 0 "[ . 1 . 2]" 1
693 2 74 LEU H 2 76 ALA MB . . 5.140 4.607 4.235 5.031 . 0 0 "[ . 1 . 2]" 1
694 2 70 ALA MB 2 73 VAL H . . 4.640 4.398 4.337 4.498 . 0 0 "[ . 1 . 2]" 1
695 2 71 VAL MG2 2 72 ALA H . . 4.210 3.890 3.801 3.940 . 0 0 "[ . 1 . 2]" 1
696 2 68 ASP HA 2 71 VAL H . . 4.080 3.670 3.555 3.769 . 0 0 "[ . 1 . 2]" 1
697 2 72 ALA MB 2 75 GLN H . . 5.080 4.575 4.274 4.980 . 0 0 "[ . 1 . 2]" 1
698 2 74 LEU HG 2 75 GLN H . . 5.500 4.616 4.337 5.126 . 0 0 "[ . 1 . 2]" 1
699 2 75 GLN H 2 76 ALA MB . . 5.500 4.346 4.074 4.461 . 0 0 "[ . 1 . 2]" 1
700 2 74 LEU MD1 2 75 GLN H . . 4.340 2.739 2.278 4.388 0.048 3 0 "[ . 1 . 2]" 1
701 2 74 LEU HA 2 77 HIS H . . 4.300 3.513 3.086 4.314 0.014 3 0 "[ . 1 . 2]" 1
702 2 80 LYS H 2 81 GLU H . . 4.540 3.855 1.958 4.536 . 0 0 "[ . 1 . 2]" 1
703 2 81 GLU H 2 81 GLU QG . . 4.090 3.170 1.942 4.082 . 0 0 "[ . 1 . 2]" 1
704 2 82 ALA H 2 83 ALA H . . 4.480 3.549 2.086 4.471 . 0 0 "[ . 1 . 2]" 1
705 2 6 THR H 2 9 MET QB . . 3.380 2.502 1.909 3.428 0.048 8 0 "[ . 1 . 2]" 1
706 2 6 THR H 2 9 MET HG2 . . 5.500 3.753 2.087 4.727 . 0 0 "[ . 1 . 2]" 1
707 2 6 THR H 2 9 MET HG3 . . 5.500 4.941 3.642 5.505 0.005 4 0 "[ . 1 . 2]" 1
708 2 5 LEU MD2 2 6 THR H . . 4.590 4.077 3.220 4.593 0.003 17 0 "[ . 1 . 2]" 1
709 1 8 VAL MG1 2 74 LEU H . . 5.270 5.034 4.504 5.300 0.030 19 0 "[ . 1 . 2]" 1
710 2 26 LEU H 2 26 LEU MD2 . . 4.620 3.967 3.863 4.008 . 0 0 "[ . 1 . 2]" 1
711 2 45 LEU H 2 45 LEU MD1 . . 4.850 3.537 2.146 3.983 . 0 0 "[ . 1 . 2]" 1
712 2 26 LEU H 2 29 LEU MD1 . . 4.040 3.705 3.553 4.030 . 0 0 "[ . 1 . 2]" 1
713 2 26 LEU H 2 42 THR MG . . 4.420 3.799 3.663 4.027 . 0 0 "[ . 1 . 2]" 1
714 2 18 GLN H 2 19 LYS H . . 3.200 2.835 2.668 2.928 . 0 0 "[ . 1 . 2]" 1
715 2 20 GLN H 2 20 GLN QG . . 3.290 2.024 1.918 2.385 . 0 0 "[ . 1 . 2]" 1
716 2 19 LYS HB3 2 20 GLN H . . 4.070 3.116 2.002 3.903 . 0 0 "[ . 1 . 2]" 1
717 2 22 LEU H 2 22 LEU MD1 . . 4.480 3.589 2.795 3.726 . 0 0 "[ . 1 . 2]" 1
718 2 80 LYS H 2 80 LYS HG2 . . 5.240 3.944 1.957 4.986 . 0 0 "[ . 1 . 2]" 1
719 2 80 LYS H 2 80 LYS HG3 . . 5.240 3.829 2.244 4.818 . 0 0 "[ . 1 . 2]" 1
720 2 45 LEU HB3 2 47 GLU H . . 4.830 4.820 4.744 4.912 0.082 12 0 "[ . 1 . 2]" 1
721 2 47 GLU H 2 47 GLU HB3 . . 3.630 2.506 2.173 3.473 . 0 0 "[ . 1 . 2]" 1
722 2 42 THR MG 2 46 LEU H . . 3.870 3.645 3.415 3.794 . 0 0 "[ . 1 . 2]" 1
723 2 32 ALA H 2 33 MET HG2 . . 4.810 4.746 4.500 4.822 0.012 12 0 "[ . 1 . 2]" 1
724 2 32 ALA H 2 33 MET HG3 . . 4.810 3.706 3.525 3.965 . 0 0 "[ . 1 . 2]" 1
725 2 25 ARG H 2 26 LEU MD1 . . 4.850 4.685 4.557 4.734 . 0 0 "[ . 1 . 2]" 1
726 2 25 ARG H 2 26 LEU HG . . 4.550 4.533 4.406 4.561 0.011 10 0 "[ . 1 . 2]" 1
727 2 25 ARG H 2 27 PHE QB . . 4.830 4.717 4.598 4.800 . 0 0 "[ . 1 . 2]" 1
728 2 24 GLU HG2 2 25 ARG H . . 5.020 4.829 4.710 4.945 . 0 0 "[ . 1 . 2]" 1
729 2 24 GLU HG3 2 25 ARG H . . 5.020 4.917 4.754 5.046 0.026 14 0 "[ . 1 . 2]" 1
730 2 22 LEU HA 2 25 ARG H . . 4.130 3.763 3.688 3.813 . 0 0 "[ . 1 . 2]" 1
731 2 17 GLU H 2 17 GLU HG2 . . 4.250 3.401 2.687 4.551 0.301 18 0 "[ . 1 . 2]" 1
732 2 17 GLU H 2 17 GLU HG3 . . 4.250 3.825 2.419 4.247 . 0 0 "[ . 1 . 2]" 1
733 2 13 ALA MB 2 17 GLU H . . 4.270 4.093 3.937 4.275 0.005 8 0 "[ . 1 . 2]" 1
734 2 28 PRO HA 2 31 GLN H . . 3.550 3.376 3.316 3.430 . 0 0 "[ . 1 . 2]" 1
735 2 31 GLN H 2 32 ALA MB . . 4.460 4.290 4.252 4.375 . 0 0 "[ . 1 . 2]" 1
736 2 29 LEU HA 2 31 GLN H . . 4.260 4.182 4.153 4.236 . 0 0 "[ . 1 . 2]" 1
737 2 45 LEU H 2 45 LEU MD2 . . 3.740 2.624 2.177 3.756 0.016 2 0 "[ . 1 . 2]" 1
738 2 47 GLU H 2 48 ILE H . . 3.520 2.448 2.442 2.453 . 0 0 "[ . 1 . 2]" 1
739 2 65 SER H 2 67 VAL H . . 4.890 4.318 4.091 4.607 . 0 0 "[ . 1 . 2]" 1
740 1 13 PHE HB2 2 43 GLY H . . 4.730 4.633 4.419 4.779 0.049 13 0 "[ . 1 . 2]" 1
741 2 34 HIS H 2 35 PRO HD2 . . 4.200 3.921 3.823 4.015 . 0 0 "[ . 1 . 2]" 1
742 2 34 HIS H 2 35 PRO HD3 . . 4.200 3.126 2.994 3.246 . 0 0 "[ . 1 . 2]" 1
743 2 3 GLU H 2 3 GLU HB2 . . 3.910 2.733 2.186 3.910 0.000 17 0 "[ . 1 . 2]" 1
744 2 3 GLU H 2 3 GLU HB3 . . 3.910 3.370 2.400 4.078 0.168 19 0 "[ . 1 . 2]" 1
745 2 3 GLU H 2 4 PRO HD2 . . 5.130 4.754 4.678 4.833 . 0 0 "[ . 1 . 2]" 1
746 2 3 GLU H 2 4 PRO HD3 . . 5.130 4.890 4.353 5.096 . 0 0 "[ . 1 . 2]" 1
747 2 2 GLN QG 2 3 GLU H . . 4.180 3.542 1.946 4.233 0.053 2 0 "[ . 1 . 2]" 1
748 2 3 GLU H 2 3 GLU QG . . 4.340 3.534 2.547 4.235 . 0 0 "[ . 1 . 2]" 1
749 2 5 LEU H 2 5 LEU MD2 . . 4.460 3.610 1.882 4.363 . 0 0 "[ . 1 . 2]" 1
750 2 5 LEU H 2 6 THR MG . . 4.400 4.154 3.885 4.401 0.001 5 0 "[ . 1 . 2]" 1
751 2 7 ALA H 2 54 LEU MD1 . . 4.440 3.947 3.177 4.449 0.009 10 0 "[ . 1 . 2]" 1
752 2 7 ALA H 2 54 LEU MD2 . . 4.430 3.340 2.243 4.262 . 0 0 "[ . 1 . 2]" 1
753 2 9 MET H 2 10 LEU QB . . 4.550 4.169 3.977 4.559 0.009 17 0 "[ . 1 . 2]" 1
754 2 7 ALA MB 2 9 MET H . . 4.900 4.470 4.126 4.879 . 0 0 "[ . 1 . 2]" 1
755 2 9 MET H 2 11 ALA MB . . 5.420 4.730 4.190 5.433 0.013 17 0 "[ . 1 . 2]" 1
756 2 9 MET H 2 12 SER H . . 5.500 5.119 4.512 5.575 0.075 17 0 "[ . 1 . 2]" 1
757 2 8 SER H 2 9 MET H . . 4.790 2.639 2.304 2.871 . 0 0 "[ . 1 . 2]" 1
758 2 10 LEU H 2 54 LEU MD1 . . 5.500 5.306 4.202 5.511 0.011 11 0 "[ . 1 . 2]" 1
759 2 9 MET QB 2 11 ALA H . . 4.960 4.607 4.155 4.979 0.019 5 0 "[ . 1 . 2]" 1
760 2 9 MET HG2 2 11 ALA H . . 5.500 5.302 4.556 5.509 0.009 9 0 "[ . 1 . 2]" 1
761 2 9 MET HG3 2 11 ALA H . . 5.500 5.403 4.894 5.521 0.021 18 0 "[ . 1 . 2]" 1
762 2 8 SER QB 2 11 ALA H . . 5.500 5.123 4.801 5.320 . 0 0 "[ . 1 . 2]" 1
763 2 8 SER HA 2 11 ALA H . . 3.970 3.835 3.509 3.978 0.008 20 0 "[ . 1 . 2]" 1
764 2 11 ALA H 2 12 SER H . . 3.450 2.601 2.337 2.825 . 0 0 "[ . 1 . 2]" 1
765 2 10 LEU MD1 2 13 ALA H . . 5.500 4.994 4.153 5.524 0.024 20 0 "[ . 1 . 2]" 1
766 2 10 LEU MD2 2 13 ALA H . . 5.500 5.270 4.313 5.517 0.017 20 0 "[ . 1 . 2]" 1
767 2 13 ALA H 2 21 MET ME . . 4.770 3.949 2.897 4.782 0.012 17 0 "[ . 1 . 2]" 1
768 2 10 LEU HA 2 13 ALA H . . 4.580 3.764 3.116 4.196 . 0 0 "[ . 1 . 2]" 1
769 2 11 ALA H 2 13 ALA H . . 4.420 4.197 3.834 4.421 0.001 13 0 "[ . 1 . 2]" 1
770 2 15 PRO HD3 2 16 GLN H . . 5.010 3.911 3.852 3.944 . 0 0 "[ . 1 . 2]" 1
771 2 13 ALA MB 2 18 GLN H . . 4.100 3.575 3.066 3.871 . 0 0 "[ . 1 . 2]" 1
772 2 18 GLN H 2 18 GLN HE21 . . 4.510 4.034 3.299 4.518 0.008 7 0 "[ . 1 . 2]" 1
773 2 18 GLN H 2 21 MET H . . 5.030 4.828 4.696 5.023 . 0 0 "[ . 1 . 2]" 1
774 2 18 GLN HE21 2 19 LYS H . . 4.880 4.716 4.301 4.905 0.025 20 0 "[ . 1 . 2]" 1
775 2 19 LYS H 2 19 LYS HB3 . . 3.860 3.009 2.374 3.589 . 0 0 "[ . 1 . 2]" 1
776 2 19 LYS H 2 20 GLN QG . . 4.550 4.137 3.672 4.445 . 0 0 "[ . 1 . 2]" 1
777 2 17 GLU HA 2 20 GLN H . . 3.720 3.465 3.225 3.748 0.028 5 0 "[ . 1 . 2]" 1
778 2 17 GLU HA 2 21 MET H . . 4.490 4.353 3.809 4.531 0.041 11 0 "[ . 1 . 2]" 1
779 2 21 MET H 2 21 MET HB3 . . 3.770 3.585 3.551 3.591 . 0 0 "[ . 1 . 2]" 1
780 1 13 PHE QE 2 23 GLY H . . 4.230 4.098 3.846 4.251 0.021 10 0 "[ . 1 . 2]" 1
781 2 23 GLY H 2 25 ARG H . . 4.700 4.355 4.245 4.463 . 0 0 "[ . 1 . 2]" 1
782 1 13 PHE QE 2 24 GLU H . . 4.270 2.960 2.567 3.281 . 0 0 "[ . 1 . 2]" 1
783 2 24 GLU H 2 24 GLU HG2 . . 3.840 3.256 2.754 3.693 . 0 0 "[ . 1 . 2]" 1
784 2 24 GLU H 2 24 GLU HG3 . . 3.840 3.454 2.893 3.828 . 0 0 "[ . 1 . 2]" 1
785 2 22 LEU HB3 2 24 GLU H . . 5.500 5.429 5.332 5.508 0.008 13 0 "[ . 1 . 2]" 1
786 2 22 LEU HB2 2 24 GLU H . . 5.500 4.923 4.759 5.046 . 0 0 "[ . 1 . 2]" 1
787 2 25 ARG H 2 26 LEU HA . . 5.190 5.094 5.084 5.108 . 0 0 "[ . 1 . 2]" 1
788 2 25 ARG H 2 26 LEU HB2 . . 4.610 4.524 4.500 4.592 . 0 0 "[ . 1 . 2]" 1
789 2 26 LEU H 2 27 PHE QB . . 4.400 4.164 4.158 4.173 . 0 0 "[ . 1 . 2]" 1
790 2 25 ARG H 2 27 PHE H . . 4.150 3.915 3.810 3.983 . 0 0 "[ . 1 . 2]" 1
791 1 13 PHE QE 2 27 PHE H . . 5.060 4.584 4.273 4.947 . 0 0 "[ . 1 . 2]" 1
792 2 27 PHE H 2 29 LEU H . . 4.780 3.967 3.903 4.016 . 0 0 "[ . 1 . 2]" 1
793 2 27 PHE H 2 27 PHE QD . . 4.310 4.098 4.088 4.106 . 0 0 "[ . 1 . 2]" 1
794 2 27 PHE H 2 28 PRO QD . . 3.430 2.101 2.057 2.131 . 0 0 "[ . 1 . 2]" 1
795 2 23 GLY HA3 2 27 PHE H . . 5.020 4.898 4.794 4.997 . 0 0 "[ . 1 . 2]" 1
796 2 23 GLY HA2 2 27 PHE H . . 5.020 4.032 3.887 4.166 . 0 0 "[ . 1 . 2]" 1
797 2 27 PHE H 2 28 PRO QG . . 4.320 4.033 3.992 4.061 . 0 0 "[ . 1 . 2]" 1
798 2 25 ARG HB3 2 27 PHE H . . 5.500 5.213 4.959 5.477 . 0 0 "[ . 1 . 2]" 1
799 2 25 ARG HB2 2 27 PHE H . . 5.500 5.206 4.911 5.528 0.028 14 0 "[ . 1 . 2]" 1
800 2 27 PHE H 2 29 LEU HG . . 5.500 5.340 5.240 5.408 . 0 0 "[ . 1 . 2]" 1
801 2 27 PHE H 2 42 THR MG . . 3.770 3.297 3.023 3.530 . 0 0 "[ . 1 . 2]" 1
802 2 28 PRO QD 2 29 LEU H . . 3.630 2.603 2.602 2.604 . 0 0 "[ . 1 . 2]" 1
803 2 29 LEU H 2 30 ILE HA . . 5.480 5.421 5.397 5.456 . 0 0 "[ . 1 . 2]" 1
804 2 27 PHE QB 2 29 LEU H . . 4.850 4.530 4.505 4.552 . 0 0 "[ . 1 . 2]" 1
805 2 28 PRO QG 2 29 LEU H . . 3.560 2.322 2.275 2.375 . 0 0 "[ . 1 . 2]" 1
806 2 29 LEU H 2 29 LEU MD2 . . 3.890 3.701 3.570 3.767 . 0 0 "[ . 1 . 2]" 1
807 2 26 LEU MD2 2 29 LEU H . . 5.340 4.942 4.848 5.014 . 0 0 "[ . 1 . 2]" 1
808 2 29 LEU H 2 30 ILE MD . . 5.500 4.777 4.661 4.848 . 0 0 "[ . 1 . 2]" 1
809 2 29 LEU H 2 29 LEU MD1 . . 3.810 3.550 3.453 3.752 . 0 0 "[ . 1 . 2]" 1
810 2 30 ILE H 2 31 GLN HA . . 5.270 4.997 4.986 5.006 . 0 0 "[ . 1 . 2]" 1
811 2 28 PRO QD 2 31 GLN H . . 5.140 4.953 4.927 4.975 . 0 0 "[ . 1 . 2]" 1
812 2 31 GLN H 2 35 PRO HB3 . . 5.330 5.244 4.921 5.352 0.022 8 0 "[ . 1 . 2]" 1
813 2 31 GLN H 2 35 PRO HA . . 4.810 4.820 4.704 4.856 0.046 6 0 "[ . 1 . 2]" 1
814 2 30 ILE HB 2 32 ALA H . . 5.050 5.011 4.981 5.054 0.004 15 0 "[ . 1 . 2]" 1
815 2 32 ALA H 2 35 PRO HA . . 5.500 5.543 5.498 5.631 0.131 11 0 "[ . 1 . 2]" 1
816 2 28 PRO HA 2 32 ALA H . . 4.970 4.774 4.635 4.846 . 0 0 "[ . 1 . 2]" 1
817 2 31 GLN HA 2 33 MET H . . 4.390 3.576 3.446 3.859 . 0 0 "[ . 1 . 2]" 1
818 2 33 MET H 2 38 ALA MB . . 5.210 4.955 4.796 5.122 . 0 0 "[ . 1 . 2]" 1
819 2 30 ILE MG 2 33 MET H . . 4.190 3.561 3.439 3.630 . 0 0 "[ . 1 . 2]" 1
820 2 34 HIS H 2 41 ILE MD . . 4.750 3.993 3.796 4.180 . 0 0 "[ . 1 . 2]" 1
821 2 30 ILE MG 2 34 HIS H . . 4.100 2.458 2.329 2.602 . 0 0 "[ . 1 . 2]" 1
822 2 34 HIS H 2 34 HIS HD2 . . 5.190 3.864 2.896 5.130 . 0 0 "[ . 1 . 2]" 1
823 2 34 HIS H 2 35 PRO HA . . 4.570 4.497 4.434 4.532 . 0 0 "[ . 1 . 2]" 1
824 2 36 THR H 2 36 THR MG . . 4.520 3.755 3.726 3.769 . 0 0 "[ . 1 . 2]" 1
825 2 37 LEU H 2 37 LEU HG . . 5.350 3.270 3.169 3.330 . 0 0 "[ . 1 . 2]" 1
826 2 36 THR MG 2 37 LEU H . . 5.230 3.637 3.529 3.830 . 0 0 "[ . 1 . 2]" 1
827 2 37 LEU H 2 37 LEU MD1 . . 4.950 2.207 2.124 2.342 . 0 0 "[ . 1 . 2]" 1
828 2 37 LEU H 2 37 LEU MD2 . . 5.040 4.379 4.343 4.429 . 0 0 "[ . 1 . 2]" 1
829 2 37 LEU MD1 2 38 ALA H . . 4.500 4.239 4.187 4.326 . 0 0 "[ . 1 . 2]" 1
830 2 30 ILE MG 2 38 ALA H . . 4.870 4.592 4.348 4.874 0.004 12 0 "[ . 1 . 2]" 1
831 2 37 LEU HB2 2 38 ALA H . . 4.190 4.119 4.027 4.165 . 0 0 "[ . 1 . 2]" 1
832 2 34 HIS HB2 2 38 ALA H . . 5.500 5.042 4.823 5.293 . 0 0 "[ . 1 . 2]" 1
833 2 35 PRO HB3 2 38 ALA H . . 5.500 5.288 5.060 5.449 . 0 0 "[ . 1 . 2]" 1
834 2 31 GLN HA 2 38 ALA H . . 5.000 4.704 4.568 4.883 . 0 0 "[ . 1 . 2]" 1
835 2 37 LEU H 2 38 ALA H . . 3.610 2.380 2.176 2.504 . 0 0 "[ . 1 . 2]" 1
836 2 38 ALA H 2 41 ILE H . . 5.380 5.059 5.026 5.105 . 0 0 "[ . 1 . 2]" 1
837 2 38 ALA HA 2 41 ILE H . . 4.110 3.960 3.897 4.059 . 0 0 "[ . 1 . 2]" 1
838 2 40 LYS QE 2 41 ILE H . . 4.940 4.601 3.691 4.987 0.047 4 0 "[ . 1 . 2]" 1
839 2 38 ALA MB 2 41 ILE H . . 5.120 5.019 4.976 5.084 . 0 0 "[ . 1 . 2]" 1
840 2 37 LEU HB2 2 41 ILE H . . 4.240 3.612 3.484 3.837 . 0 0 "[ . 1 . 2]" 1
841 2 37 LEU HB3 2 41 ILE H . . 3.810 3.818 3.782 3.835 0.025 19 0 "[ . 1 . 2]" 1
842 2 30 ILE MD 2 42 THR H . . 3.940 3.875 3.691 3.974 0.034 19 0 "[ . 1 . 2]" 1
843 1 13 PHE HB3 2 42 THR H . . 5.220 5.237 5.165 5.267 0.047 2 0 "[ . 1 . 2]" 1
844 2 38 ALA HA 2 42 THR H . . 4.120 4.080 3.995 4.164 0.044 3 0 "[ . 1 . 2]" 1
845 2 40 LYS HA 2 42 THR H . . 4.850 4.203 4.044 4.367 . 0 0 "[ . 1 . 2]" 1
846 2 43 GLY H 2 46 LEU MD2 . . 4.500 3.732 3.360 3.974 . 0 0 "[ . 1 . 2]" 1
847 2 43 GLY H 2 45 LEU HB2 . . 5.300 4.888 4.622 5.206 . 0 0 "[ . 1 . 2]" 1
848 2 43 GLY H 2 46 LEU HG . . 5.330 5.079 4.453 5.392 0.062 12 0 "[ . 1 . 2]" 1
849 2 40 LYS HA 2 43 GLY H . . 4.510 3.659 3.602 3.784 . 0 0 "[ . 1 . 2]" 1
850 2 78 GLN H 2 78 GLN QB . . 3.310 2.678 2.221 3.231 . 0 0 "[ . 1 . 2]" 1
851 2 78 GLN H 2 79 ALA MB . . 4.760 4.288 3.581 4.762 0.002 19 0 "[ . 1 . 2]" 1
852 2 41 ILE HB 2 44 MET H . . 5.500 5.503 5.403 5.581 0.081 9 0 "[ . 1 . 2]" 1
853 2 74 LEU MD2 2 78 GLN H . . 5.500 4.228 2.320 5.503 0.003 16 0 "[ . 1 . 2]" 1
854 2 44 MET H 2 46 LEU H . . 4.730 4.419 4.259 4.581 . 0 0 "[ . 1 . 2]" 1
855 2 44 MET QB 2 46 LEU H . . 5.500 5.137 4.771 5.511 0.011 17 0 "[ . 1 . 2]" 1
856 2 45 LEU HA 2 47 GLU H . . 4.270 4.059 4.017 4.089 . 0 0 "[ . 1 . 2]" 1
857 2 47 GLU H 2 48 ILE HA . . 5.080 4.955 4.947 4.961 . 0 0 "[ . 1 . 2]" 1
858 2 47 GLU H 2 53 LEU MD1 . . 4.510 4.048 3.976 4.085 . 0 0 "[ . 1 . 2]" 1
859 2 45 LEU MD1 2 47 GLU H . . 5.500 5.301 5.173 5.381 . 0 0 "[ . 1 . 2]" 1
860 2 46 LEU HA 2 48 ILE H . . 4.300 3.818 3.777 3.858 . 0 0 "[ . 1 . 2]" 1
861 2 47 GLU HB3 2 48 ILE H . . 4.410 3.223 3.122 3.717 . 0 0 "[ . 1 . 2]" 1
862 2 46 LEU MD1 2 48 ILE H . . 4.730 4.660 4.435 4.735 0.005 12 0 "[ . 1 . 2]" 1
863 2 48 ILE HB 2 49 ASP H . . 4.000 2.176 2.153 2.205 . 0 0 "[ . 1 . 2]" 1
864 2 46 LEU MD1 2 49 ASP H . . 5.480 5.342 5.233 5.490 0.010 19 0 "[ . 1 . 2]" 1
865 2 49 ASP H 2 52 GLU QB . . 4.610 4.382 4.140 4.552 . 0 0 "[ . 1 . 2]" 1
866 2 50 ASN H 2 50 ASN HB2 . . 3.700 2.467 2.375 2.663 . 0 0 "[ . 1 . 2]" 1
867 2 50 ASN H 2 53 LEU MD1 . . 4.090 3.289 3.215 3.376 . 0 0 "[ . 1 . 2]" 1
868 2 22 LEU MD1 2 50 ASN H . . 4.690 4.502 3.994 4.710 0.020 3 0 "[ . 1 . 2]" 1
869 2 50 ASN H 2 53 LEU HG . . 5.360 5.093 5.021 5.144 . 0 0 "[ . 1 . 2]" 1
870 2 50 ASN H 2 53 LEU HB2 . . 5.120 4.792 4.673 4.924 . 0 0 "[ . 1 . 2]" 1
871 2 50 ASN H 2 51 SER QB . . 4.720 4.378 4.269 4.642 . 0 0 "[ . 1 . 2]" 1
872 2 18 GLN HB2 2 50 ASN HD22 . . 4.300 3.105 2.068 3.959 . 0 0 "[ . 1 . 2]" 1
873 2 50 ASN HA 2 50 ASN HD22 . . 4.750 4.323 4.011 4.665 . 0 0 "[ . 1 . 2]" 1
874 2 18 GLN HB3 2 50 ASN HD22 . . 4.300 2.487 2.009 2.881 . 0 0 "[ . 1 . 2]" 1
875 2 22 LEU MD1 2 50 ASN HD22 . . 4.440 2.777 2.302 3.434 . 0 0 "[ . 1 . 2]" 1
876 2 50 ASN H 2 50 ASN HD22 . . 4.870 4.638 4.272 4.851 . 0 0 "[ . 1 . 2]" 1
877 2 50 ASN HA 2 50 ASN HD21 . . 4.750 3.826 3.198 4.384 . 0 0 "[ . 1 . 2]" 1
878 2 18 GLN HB3 2 50 ASN HD21 . . 4.300 2.472 2.004 3.015 . 0 0 "[ . 1 . 2]" 1
879 2 18 GLN HB2 2 50 ASN HD21 . . 4.300 3.516 2.194 4.270 . 0 0 "[ . 1 . 2]" 1
880 2 22 LEU MD1 2 50 ASN HD21 . . 4.440 2.693 2.021 3.556 . 0 0 "[ . 1 . 2]" 1
881 2 50 ASN H 2 50 ASN HD21 . . 4.870 4.602 4.312 4.767 . 0 0 "[ . 1 . 2]" 1
882 2 52 GLU H 2 53 LEU HG . . 4.420 4.401 4.311 4.439 0.019 10 0 "[ . 1 . 2]" 1
883 2 51 SER QB 2 53 LEU H . . 4.850 4.677 4.611 4.801 . 0 0 "[ . 1 . 2]" 1
884 2 49 ASP HB3 2 53 LEU H . . 4.530 3.762 3.538 3.866 . 0 0 "[ . 1 . 2]" 1
885 2 53 LEU MD1 2 54 LEU H . . 4.320 4.195 3.980 4.287 . 0 0 "[ . 1 . 2]" 1
886 2 54 LEU H 2 55 HIS HA . . 5.500 5.398 5.362 5.426 . 0 0 "[ . 1 . 2]" 1
887 2 52 GLU QB 2 55 HIS H . . 4.880 4.661 4.609 4.741 . 0 0 "[ . 1 . 2]" 1
888 2 55 HIS H 2 56 MET QG . . 4.910 4.073 3.819 4.635 . 0 0 "[ . 1 . 2]" 1
889 2 53 LEU HB3 2 56 MET H . . 5.100 4.779 4.729 4.865 . 0 0 "[ . 1 . 2]" 1
890 2 56 MET H 2 57 LEU MD2 . . 4.260 4.030 3.845 4.264 0.004 5 0 "[ . 1 . 2]" 1
891 2 53 LEU H 2 56 MET H . . 4.860 4.547 4.516 4.594 . 0 0 "[ . 1 . 2]" 1
892 2 55 HIS HA 2 57 LEU H . . 4.130 3.898 3.806 4.034 . 0 0 "[ . 1 . 2]" 1
893 2 53 LEU HA 2 57 LEU H . . 4.400 4.144 4.067 4.241 . 0 0 "[ . 1 . 2]" 1
894 2 58 GLU H 2 59 SER HA . . 4.980 4.892 4.756 4.984 0.004 17 0 "[ . 1 . 2]" 1
895 2 56 MET HA 2 58 GLU H . . 4.410 4.218 3.973 4.409 . 0 0 "[ . 1 . 2]" 1
896 2 60 PRO HD2 2 61 GLU H . . 4.330 2.841 2.821 2.851 . 0 0 "[ . 1 . 2]" 1
897 2 62 SER H 2 64 ARG QG . . 4.640 4.609 4.472 4.667 0.027 2 0 "[ . 1 . 2]" 1
898 2 56 MET HA 2 63 LEU H . . 4.640 4.648 4.517 4.677 0.037 15 0 "[ . 1 . 2]" 1
899 2 60 PRO HA 2 63 LEU H . . 3.880 3.520 3.342 3.671 . 0 0 "[ . 1 . 2]" 1
900 2 61 GLU QG 2 63 LEU H . . 4.600 4.394 4.235 4.596 . 0 0 "[ . 1 . 2]" 1
901 2 56 MET QG 2 63 LEU H . . 4.750 4.598 4.163 4.763 0.013 20 0 "[ . 1 . 2]" 1
902 2 63 LEU HB3 2 64 ARG H . . 2.870 2.278 2.090 2.502 . 0 0 "[ . 1 . 2]" 1
903 2 64 ARG H 2 64 ARG QB . . 3.170 2.418 2.285 2.609 . 0 0 "[ . 1 . 2]" 1
904 2 45 LEU MD1 2 66 LYS H . . 5.110 4.754 4.390 5.121 0.011 5 0 "[ . 1 . 2]" 1
905 2 65 SER QB 2 67 VAL H . . 5.050 4.744 4.546 5.027 . 0 0 "[ . 1 . 2]" 1
906 2 67 VAL H 2 68 ASP HB3 . . 5.480 5.235 5.048 5.426 . 0 0 "[ . 1 . 2]" 1
907 2 67 VAL H 2 68 ASP HB2 . . 5.480 5.165 5.030 5.418 . 0 0 "[ . 1 . 2]" 1
908 2 67 VAL H 2 69 GLU QG . . 5.360 5.260 4.865 5.384 0.024 18 0 "[ . 1 . 2]" 1
909 2 68 ASP H 2 70 ALA H . . 4.670 4.421 4.317 4.502 . 0 0 "[ . 1 . 2]" 1
910 2 66 LYS H 2 68 ASP H . . 4.720 4.465 4.213 4.629 . 0 0 "[ . 1 . 2]" 1
911 2 65 SER QB 2 68 ASP H . . 5.340 5.190 4.945 5.338 . 0 0 "[ . 1 . 2]" 1
912 2 64 ARG HA 2 68 ASP H . . 4.170 3.956 3.825 4.176 0.006 18 0 "[ . 1 . 2]" 1
913 2 64 ARG QB 2 68 ASP H . . 4.830 4.645 4.541 4.761 . 0 0 "[ . 1 . 2]" 1
914 2 68 ASP H 2 71 VAL MG2 . . 4.670 4.487 4.222 4.640 . 0 0 "[ . 1 . 2]" 1
915 2 69 GLU H 2 70 ALA MB . . 4.660 4.474 4.420 4.525 . 0 0 "[ . 1 . 2]" 1
916 2 67 VAL MG2 2 69 GLU H . . 5.460 5.297 5.226 5.370 . 0 0 "[ . 1 . 2]" 1
917 2 66 LYS HA 2 69 GLU H . . 3.640 3.537 3.421 3.636 . 0 0 "[ . 1 . 2]" 1
918 2 66 LYS H 2 69 GLU H . . 5.010 4.717 4.601 4.846 . 0 0 "[ . 1 . 2]" 1
919 2 67 VAL H 2 69 GLU H . . 4.300 4.164 4.042 4.248 . 0 0 "[ . 1 . 2]" 1
920 2 69 GLU H 2 71 VAL H . . 4.610 4.484 4.237 4.579 . 0 0 "[ . 1 . 2]" 1
921 1 4 PHE QD 2 70 ALA H . . 5.230 4.731 4.381 5.018 . 0 0 "[ . 1 . 2]" 1
922 2 67 VAL HA 2 70 ALA H . . 4.620 3.711 3.656 3.783 . 0 0 "[ . 1 . 2]" 1
923 2 70 ALA H 2 71 VAL MG2 . . 4.570 4.275 4.087 4.385 . 0 0 "[ . 1 . 2]" 1
924 2 67 VAL MG1 2 71 VAL H . . 4.550 3.897 3.775 3.985 . 0 0 "[ . 1 . 2]" 1
925 2 67 VAL HA 2 71 VAL H . . 4.810 4.146 3.992 4.280 . 0 0 "[ . 1 . 2]" 1
926 2 69 GLU HA 2 71 VAL H . . 5.050 4.964 4.584 5.068 0.018 20 0 "[ . 1 . 2]" 1
927 2 71 VAL H 2 73 VAL H . . 4.850 4.187 4.061 4.283 . 0 0 "[ . 1 . 2]" 1
928 2 70 ALA H 2 72 ALA H . . 5.060 4.013 3.920 4.347 . 0 0 "[ . 1 . 2]" 1
929 2 72 ALA H 2 74 LEU H . . 5.390 4.036 3.995 4.080 . 0 0 "[ . 1 . 2]" 1
930 2 68 ASP HA 2 72 ALA H . . 4.340 3.978 3.795 4.104 . 0 0 "[ . 1 . 2]" 1
931 2 44 MET ME 2 73 VAL H . . 5.500 5.523 5.439 5.576 0.076 4 0 "[ . 1 . 2]" 1
932 2 73 VAL H 2 73 VAL MG1 . . 3.860 2.960 2.882 3.126 . 0 0 "[ . 1 . 2]" 1
933 2 71 VAL HA 2 73 VAL H . . 4.920 4.390 4.211 4.482 . 0 0 "[ . 1 . 2]" 1
934 2 72 ALA H 2 73 VAL H . . 3.830 2.490 2.457 2.660 . 0 0 "[ . 1 . 2]" 1
935 2 74 LEU H 2 75 GLN H . . 3.510 2.630 2.459 2.719 . 0 0 "[ . 1 . 2]" 1
936 2 74 LEU H 2 75 GLN HG3 . . 4.890 4.346 4.002 4.839 . 0 0 "[ . 1 . 2]" 1
937 2 75 GLN H 2 75 GLN HG3 . . 3.970 2.427 2.174 3.043 . 0 0 "[ . 1 . 2]" 1
938 2 71 VAL HA 2 75 GLN H . . 5.320 5.161 4.415 5.301 . 0 0 "[ . 1 . 2]" 1
939 2 73 VAL MG2 2 76 ALA H . . 5.210 4.885 4.727 5.115 . 0 0 "[ . 1 . 2]" 1
940 2 74 LEU MD2 2 77 HIS H . . 4.620 3.784 3.311 4.449 . 0 0 "[ . 1 . 2]" 1
941 2 77 HIS H 2 78 GLN QB . . 5.500 5.169 4.347 5.509 0.009 14 0 "[ . 1 . 2]" 1
942 2 78 GLN H 2 79 ALA H . . 4.600 3.820 2.108 4.527 . 0 0 "[ . 1 . 2]" 1
943 2 81 GLU HB2 2 82 ALA H . . 4.610 3.798 1.958 4.610 . 3 0 "[ . 1 . 2]" 1
944 2 81 GLU HB3 2 82 ALA H . . 4.610 3.742 2.395 4.611 0.001 19 0 "[ . 1 . 2]" 1
945 2 38 ALA MB 2 42 THR H . . 4.910 4.634 4.568 4.683 . 0 0 "[ . 1 . 2]" 1
946 2 49 ASP HB3 2 51 SER H . . 3.740 3.045 2.859 3.227 . 0 0 "[ . 1 . 2]" 1
947 2 50 ASN HB2 2 51 SER H . . 4.080 2.911 2.784 2.964 . 0 0 "[ . 1 . 2]" 1
948 2 51 SER H 2 52 GLU QB . . 5.330 4.828 4.701 4.974 . 0 0 "[ . 1 . 2]" 1
949 2 51 SER H 2 53 LEU HB2 . . 5.500 4.891 4.819 5.089 . 0 0 "[ . 1 . 2]" 1
950 2 51 SER H 2 53 LEU HG . . 5.500 5.487 5.424 5.515 0.015 4 0 "[ . 1 . 2]" 1
951 2 51 SER H 2 53 LEU MD1 . . 4.450 4.426 4.358 4.456 0.006 7 0 "[ . 1 . 2]" 1
952 2 51 SER H 2 52 GLU QG . . 4.660 4.383 4.209 4.625 . 0 0 "[ . 1 . 2]" 1
953 2 6 THR H 2 9 MET HA . . 5.500 5.304 4.753 5.576 0.076 17 0 "[ . 1 . 2]" 1
954 2 6 THR H 2 9 MET H . . 4.210 3.536 3.007 4.109 . 0 0 "[ . 1 . 2]" 1
955 2 30 ILE MD 2 31 GLN H . . 4.600 4.516 4.428 4.546 . 0 0 "[ . 1 . 2]" 1
956 2 34 HIS HB3 2 38 ALA H . . 4.930 4.876 4.608 4.948 0.018 3 0 "[ . 1 . 2]" 1
957 2 35 PRO HA 2 38 ALA H . . 3.810 3.065 2.853 3.199 . 0 0 "[ . 1 . 2]" 1
958 1 13 PHE QD 2 42 THR H . . 5.310 5.087 4.737 5.322 0.012 6 0 "[ . 1 . 2]" 1
959 1 13 PHE H 2 42 THR H . . 5.500 5.464 5.246 5.534 0.034 19 0 "[ . 1 . 2]" 1
960 1 10 ALA MB 2 44 MET H . . 4.760 3.360 2.677 4.035 . 0 0 "[ . 1 . 2]" 1
961 2 42 THR HA 2 46 LEU H . . 4.600 3.547 3.410 3.665 . 0 0 "[ . 1 . 2]" 1
962 2 47 GLU QG 2 48 ILE H . . 4.620 3.959 2.589 4.579 . 0 0 "[ . 1 . 2]" 1
963 2 69 GLU H 2 71 VAL MG2 . . 5.360 5.162 4.910 5.294 . 0 0 "[ . 1 . 2]" 1
964 2 71 VAL H 2 72 ALA MB . . 4.500 4.447 4.367 4.494 . 0 0 "[ . 1 . 2]" 1
965 2 71 VAL MG1 2 75 GLN H . . 4.700 4.554 3.906 4.707 0.007 17 0 "[ . 1 . 2]" 1
966 2 74 LEU H 2 75 GLN HG2 . . 4.890 4.610 3.976 4.901 0.011 2 0 "[ . 1 . 2]" 1
967 1 8 VAL MG1 2 77 HIS H . . 4.860 4.490 3.984 4.878 0.018 16 0 "[ . 1 . 2]" 1
968 2 60 PRO HA 2 64 ARG H . . 4.010 3.772 3.490 4.016 0.006 13 0 "[ . 1 . 2]" 1
969 2 55 HIS H 2 57 LEU MD1 . . 5.310 5.054 4.860 5.314 0.004 5 0 "[ . 1 . 2]" 1
970 2 11 ALA H 2 12 SER HA . . 5.460 5.096 4.933 5.274 . 0 0 "[ . 1 . 2]" 1
971 2 29 LEU H 2 38 ALA MB . . 5.500 5.524 5.489 5.557 0.057 3 0 "[ . 1 . 2]" 1
972 2 32 ALA HA 2 34 HIS H . . 5.370 5.373 5.325 5.413 0.043 1 0 "[ . 1 . 2]" 1
973 2 72 ALA HA 2 75 GLN HE21 . . 5.190 3.956 3.546 4.496 . 0 0 "[ . 1 . 2]" 1
974 2 71 VAL MG1 2 75 GLN HE21 . . 3.720 3.321 3.105 3.659 . 0 0 "[ . 1 . 2]" 1
975 2 71 VAL MG1 2 75 GLN HE22 . . 4.520 4.490 4.302 4.535 0.015 4 0 "[ . 1 . 2]" 1
976 2 75 GLN H 2 75 GLN HE21 . . 4.780 4.421 4.048 4.669 . 0 0 "[ . 1 . 2]" 1
977 2 72 ALA HA 2 75 GLN HE22 . . 5.330 5.130 4.279 5.368 0.038 3 0 "[ . 1 . 2]" 1
978 2 74 LEU MD1 2 75 GLN HE21 . . 4.710 4.317 3.478 4.749 0.039 3 0 "[ . 1 . 2]" 1
979 1 12 GLU HA 2 43 GLY H . . 4.590 4.394 3.727 4.613 0.023 3 0 "[ . 1 . 2]" 1
980 1 10 ALA MB 2 43 GLY H . . 5.500 4.767 4.117 5.460 . 0 0 "[ . 1 . 2]" 1
981 2 43 GLY H 2 45 LEU H . . 4.670 4.198 3.965 4.504 . 0 0 "[ . 1 . 2]" 1
982 1 13 PHE QD 2 43 GLY H . . 4.940 4.020 3.602 4.343 . 0 0 "[ . 1 . 2]" 1
983 2 41 ILE H 2 43 GLY H . . 5.110 4.339 4.125 4.581 . 0 0 "[ . 1 . 2]" 1
984 1 13 PHE H 2 43 GLY H . . 3.940 3.699 3.472 3.922 . 0 0 "[ . 1 . 2]" 1
985 2 18 GLN HE22 2 18 GLN QG . . 3.620 3.422 3.336 3.443 . 0 0 "[ . 1 . 2]" 1
986 2 15 PRO HA 2 18 GLN HE21 . . 4.210 2.348 1.937 3.057 . 0 0 "[ . 1 . 2]" 1
987 2 19 LYS H 2 21 MET H . . 4.780 4.070 3.721 4.238 . 0 0 "[ . 1 . 2]" 1
988 2 6 THR H 2 10 LEU H . . 4.470 3.736 3.261 4.503 0.033 17 0 "[ . 1 . 2]" 1
989 2 51 SER H 2 54 LEU H . . 4.850 4.748 4.696 4.836 . 0 0 "[ . 1 . 2]" 1
990 2 31 GLN H 2 34 HIS H . . 4.940 4.932 4.881 4.964 0.024 17 0 "[ . 1 . 2]" 1
991 2 59 SER H 2 62 SER H . . 5.350 5.314 5.275 5.367 0.017 2 0 "[ . 1 . 2]" 1
992 2 61 GLU H 2 64 ARG H . . 5.330 5.159 4.992 5.315 . 0 0 "[ . 1 . 2]" 1
993 2 64 ARG H 2 66 LYS H . . 4.900 4.543 4.233 4.797 . 0 0 "[ . 1 . 2]" 1
994 1 4 PHE HA 1 4 PHE QD . . 2.820 2.202 1.989 2.353 . 0 0 "[ . 1 . 2]" 1
995 1 11 ALA H 1 11 ALA MB . . 3.000 2.360 2.029 2.781 . 0 0 "[ . 1 . 2]" 1
996 1 11 ALA MB 1 12 GLU H . . 3.320 2.419 2.082 2.913 . 0 0 "[ . 1 . 2]" 1
997 1 12 GLU H 1 12 GLU HG3 . . 4.280 3.174 1.947 3.989 . 0 0 "[ . 1 . 2]" 1
998 1 12 GLU H 1 12 GLU HG2 . . 4.280 2.825 1.947 4.287 0.007 18 0 "[ . 1 . 2]" 1
999 1 12 GLU H 1 12 GLU HB3 . . 3.780 2.949 2.388 3.807 0.027 18 0 "[ . 1 . 2]" 1
1000 1 8 VAL H 1 8 VAL MG2 . . 4.540 3.761 3.749 3.768 . 0 0 "[ . 1 . 2]" 1
1001 1 5 VAL H 1 5 VAL HB . . 4.200 3.411 2.660 3.983 . 0 0 "[ . 1 . 2]" 1
1002 1 4 PHE H 1 4 PHE QD . . 4.380 4.210 4.098 4.419 0.039 19 0 "[ . 1 . 2]" 1
1003 1 12 GLU H 1 13 PHE H . . 4.680 4.568 4.352 4.646 . 0 0 "[ . 1 . 2]" 1
1004 1 19 ARG HA 1 20 GLY H . . 3.560 2.792 2.339 3.484 . 0 0 "[ . 1 . 2]" 1
1005 1 13 PHE H 1 13 PHE HB2 . . 4.060 3.552 3.494 3.629 . 0 0 "[ . 1 . 2]" 1
1006 1 13 PHE H 1 13 PHE HB3 . . 3.980 2.287 2.185 2.403 . 0 0 "[ . 1 . 2]" 1
1007 1 13 PHE H 1 13 PHE QD . . 4.250 2.365 2.065 2.665 . 0 0 "[ . 1 . 2]" 1
1008 1 14 VAL H 1 14 VAL HB . . 4.040 3.198 2.575 3.851 . 0 0 "[ . 1 . 2]" 1
1009 1 17 PHE H 1 18 LEU H . . 4.550 2.685 1.859 4.492 . 0 0 "[ . 1 . 2]" 1
1010 1 13 PHE H 1 14 VAL H . . 5.050 3.159 2.140 4.588 . 0 0 "[ . 1 . 2]" 1
1011 1 17 PHE H 1 17 PHE QD . . 3.690 2.687 2.208 3.064 . 0 0 "[ . 1 . 2]" 1
1012 1 17 PHE H 1 17 PHE HB3 . . 3.960 3.053 2.492 3.489 . 0 0 "[ . 1 . 2]" 1
1013 1 17 PHE H 1 17 PHE HB2 . . 3.960 3.739 3.597 3.901 . 0 0 "[ . 1 . 2]" 1
1014 1 18 LEU H 1 18 LEU HB3 . . 4.110 3.456 2.913 4.074 . 0 0 "[ . 1 . 2]" 1
1015 1 18 LEU H 1 18 LEU HG . . 4.890 4.245 2.911 4.805 . 0 0 "[ . 1 . 2]" 1
1016 1 4 PHE QD 1 5 VAL H . . 4.110 3.048 2.020 4.178 0.068 1 0 "[ . 1 . 2]" 1
1017 1 18 LEU H 1 19 ARG H . . 4.480 3.769 2.387 4.486 0.006 9 0 "[ . 1 . 2]" 1
1018 1 17 PHE H 1 17 PHE QE . . 4.270 4.122 3.848 4.273 0.003 3 0 "[ . 1 . 2]" 1
1019 1 12 GLU HA 1 13 PHE H . . 3.300 2.228 2.139 2.444 . 0 0 "[ . 1 . 2]" 1
1020 1 13 PHE HA 1 14 VAL H . . 3.540 3.129 2.169 3.489 . 0 0 "[ . 1 . 2]" 1
1021 1 13 PHE QD 1 14 VAL H . . 4.170 3.019 2.199 3.694 . 0 0 "[ . 1 . 2]" 1
1022 1 17 PHE HA 1 17 PHE QD . . 3.910 3.702 3.670 3.718 . 0 0 "[ . 1 . 2]" 1
1023 1 17 PHE QD 1 18 LEU HA . . 4.330 3.579 3.154 4.149 . 0 0 "[ . 1 . 2]" 1
1024 1 13 PHE QD 1 14 VAL MG1 . . 5.500 3.845 2.798 5.487 . 0 0 "[ . 1 . 2]" 1
1025 1 9 HIS HA 1 9 HIS HD2 . . 3.590 3.309 2.841 3.926 0.336 5 0 "[ . 1 . 2]" 1
1026 1 8 VAL MG1 1 9 HIS HD2 . . 4.510 3.966 1.865 4.504 . 0 0 "[ . 1 . 2]" 1
1027 1 5 VAL MG2 1 6 PRO HD3 . . 6.180 4.451 4.380 4.500 . 0 0 "[ . 1 . 2]" 1
1028 1 5 VAL MG2 1 6 PRO HD2 . . 6.180 4.079 3.519 4.589 . 0 0 "[ . 1 . 2]" 1
1029 1 5 VAL MG1 1 6 PRO HD2 . . 6.180 4.087 3.569 4.608 . 0 0 "[ . 1 . 2]" 1
1030 1 18 LEU HA 1 18 LEU MD1 . . 4.280 2.809 1.929 3.852 . 0 0 "[ . 1 . 2]" 1
1031 1 18 LEU HA 1 18 LEU MD2 . . 4.280 2.977 2.109 3.806 . 0 0 "[ . 1 . 2]" 1
1032 1 4 PHE HB3 1 5 VAL H . . 5.500 3.530 2.487 4.265 . 0 0 "[ . 1 . 2]" 1
1033 1 14 VAL H 1 14 VAL MG2 . . 4.510 3.029 1.925 4.093 . 0 0 "[ . 1 . 2]" 1
1034 1 14 VAL H 1 14 VAL MG1 . . 4.510 2.746 1.927 3.978 . 0 0 "[ . 1 . 2]" 1
1035 1 5 VAL HA 1 5 VAL MG2 . . 3.230 2.641 2.327 3.189 . 0 0 "[ . 1 . 2]" 1
1036 1 12 GLU HG3 1 13 PHE H . . 5.070 4.482 3.726 5.021 . 0 0 "[ . 1 . 2]" 1
1037 1 17 PHE QD 1 18 LEU MD1 . . 4.560 2.780 1.953 4.566 0.006 16 0 "[ . 1 . 2]" 1
1038 1 17 PHE QD 1 18 LEU HB2 . . 3.830 2.978 1.918 3.809 . 0 0 "[ . 1 . 2]" 1
1039 1 17 PHE QE 1 18 LEU MD1 . . 4.420 2.713 1.886 4.497 0.077 19 0 "[ . 1 . 2]" 1
1040 1 17 PHE QE 1 18 LEU HG . . 4.450 4.072 3.403 4.523 0.073 4 0 "[ . 1 . 2]" 1
1041 1 17 PHE QD 1 18 LEU HG . . 4.680 3.785 1.994 4.848 0.168 4 0 "[ . 1 . 2]" 1
1042 1 17 PHE H 1 18 LEU HB2 . . 4.560 4.125 3.498 4.726 0.166 4 0 "[ . 1 . 2]" 1
1043 1 8 VAL MG2 1 9 HIS HE1 . . 5.220 4.986 3.114 5.322 0.102 5 0 "[ . 1 . 2]" 1
1044 1 8 VAL MG1 1 9 HIS HE1 . . 4.170 3.000 2.308 4.244 0.074 5 0 "[ . 1 . 2]" 1
1045 1 8 VAL H 1 8 VAL MG1 . . 4.020 2.116 1.909 2.301 . 0 0 "[ . 1 . 2]" 1
1046 1 8 VAL MG1 1 9 HIS H . . 5.280 2.257 1.960 3.598 . 0 0 "[ . 1 . 2]" 1
1047 1 8 VAL MG2 1 9 HIS H . . 5.120 3.441 1.847 3.807 . 0 0 "[ . 1 . 2]" 1
1048 1 12 GLU HG2 1 13 PHE H . . 5.070 4.538 3.503 5.051 . 0 0 "[ . 1 . 2]" 1
1049 1 11 ALA HA 1 12 GLU H . . 3.280 2.474 2.196 3.548 0.268 18 0 "[ . 1 . 2]" 1
1050 1 4 PHE QE 1 7 ASN H . . 5.290 4.596 4.105 5.099 . 0 0 "[ . 1 . 2]" 1
1051 1 4 PHE HB2 1 5 VAL H . . 5.500 4.051 3.867 4.257 . 0 0 "[ . 1 . 2]" 1
1052 1 10 ALA HA 1 11 ALA H . . 2.950 2.383 2.143 2.728 . 0 0 "[ . 1 . 2]" 1
1053 1 3 PRO HA 1 4 PHE H . . 3.390 2.455 2.158 3.458 0.068 19 0 "[ . 1 . 2]" 1
1054 1 10 ALA MB 1 11 ALA H . . 3.450 2.777 1.917 3.484 0.034 14 0 "[ . 1 . 2]" 1
1055 1 4 PHE QD 1 6 PRO QG . . 3.840 3.032 2.699 3.556 . 0 0 "[ . 1 . 2]" 1
1056 1 4 PHE QD 1 5 VAL HA . . 5.030 4.790 4.329 5.085 0.055 20 0 "[ . 1 . 2]" 1
1057 1 14 VAL HA 1 14 VAL MG2 . . 3.380 2.590 1.954 3.198 . 0 0 "[ . 1 . 2]" 1
1058 1 14 VAL HA 1 14 VAL MG1 . . 3.380 2.686 2.017 3.203 . 0 0 "[ . 1 . 2]" 1
1059 1 5 VAL HA 1 5 VAL MG1 . . 3.230 2.568 2.123 3.191 . 0 0 "[ . 1 . 2]" 1
1060 1 12 GLU H 1 12 GLU HB2 . . 3.780 3.154 2.249 3.595 . 0 0 "[ . 1 . 2]" 1
1061 1 9 HIS H 1 9 HIS HD2 . . 5.040 4.351 2.194 4.721 . 0 0 "[ . 1 . 2]" 1
1062 1 8 VAL H 1 9 HIS H . . 5.180 2.942 2.692 4.645 . 0 0 "[ . 1 . 2]" 1
1063 1 4 PHE H 1 5 VAL H . . 5.350 3.759 1.926 4.630 . 0 0 "[ . 1 . 2]" 1
1064 1 7 ASN H 1 10 ALA MB . . 5.490 4.342 3.787 4.929 . 0 0 "[ . 1 . 2]" 1
1065 1 1 ALA MB 1 2 LYS H . . 5.370 3.225 2.387 3.688 . 0 0 "[ . 1 . 2]" 1
1066 1 2 LYS H 1 2 LYS HG3 . . 5.500 3.847 2.709 5.030 . 0 0 "[ . 1 . 2]" 1
1067 1 2 LYS H 1 2 LYS HG2 . . 5.500 3.745 2.361 5.040 . 0 0 "[ . 1 . 2]" 1
1068 1 2 LYS H 1 2 LYS QG . . 4.830 3.232 2.339 4.258 . 0 0 "[ . 1 . 2]" 1
1069 1 4 PHE HA 1 5 VAL QG . . 4.270 3.452 3.287 3.651 . 0 0 "[ . 1 . 2]" 1
1070 1 4 PHE QB 1 5 VAL QG . . 5.000 4.364 3.890 4.681 . 0 0 "[ . 1 . 2]" 1
1071 1 4 PHE QD 1 5 VAL QG . . 4.190 3.837 3.175 4.280 0.090 18 0 "[ . 1 . 2]" 1
1072 1 4 PHE QD 1 6 PRO QB . . 3.910 2.876 2.516 3.747 . 0 0 "[ . 1 . 2]" 1
1073 1 4 PHE QD 2 69 GLU QB . . 3.330 3.189 2.912 3.377 0.047 20 0 "[ . 1 . 2]" 1
1074 1 4 PHE QE 1 5 VAL QG . . 5.110 4.357 3.429 5.266 0.156 20 0 "[ . 1 . 2]" 1
1075 1 4 PHE QE 1 6 PRO QB . . 4.100 2.091 1.981 2.664 . 0 0 "[ . 1 . 2]" 1
1076 1 5 VAL H 1 5 VAL QG . . 4.000 2.256 1.888 2.845 . 0 0 "[ . 1 . 2]" 1
1077 1 5 VAL H 1 6 PRO QD . . 5.350 2.960 2.216 3.371 . 0 0 "[ . 1 . 2]" 1
1078 1 5 VAL HA 1 6 PRO QD . . 3.570 2.044 1.980 2.143 . 0 0 "[ . 1 . 2]" 1
1079 1 5 VAL QG 1 6 PRO HA . . 4.590 4.202 3.892 4.501 . 0 0 "[ . 1 . 2]" 1
1080 1 5 VAL QG 1 6 PRO QD . . 3.870 3.307 3.199 3.420 . 0 0 "[ . 1 . 2]" 1
1081 1 5 VAL MG1 1 6 PRO HD3 . . 6.180 4.518 4.427 4.672 . 0 0 "[ . 1 . 2]" 1
1082 1 5 VAL QG 2 73 VAL MG2 . . 5.020 3.319 2.908 4.003 . 0 0 "[ . 1 . 2]" 1
1083 1 6 PRO QB 2 73 VAL MG2 . . 4.620 3.522 3.464 3.664 . 0 0 "[ . 1 . 2]" 1
1084 1 6 PRO QD 2 73 VAL MG1 . . 4.150 3.788 3.599 3.939 . 0 0 "[ . 1 . 2]" 1
1085 1 6 PRO QD 2 73 VAL MG2 . . 3.850 2.055 1.930 2.170 . 0 0 "[ . 1 . 2]" 1
1086 1 8 VAL MG2 2 77 HIS QB . . 5.220 3.568 2.712 4.089 . 0 0 "[ . 1 . 2]" 1
1087 1 9 HIS QB 1 9 HIS HD2 . . 3.070 2.782 2.711 2.973 . 0 0 "[ . 1 . 2]" 1
1088 1 12 GLU H 1 12 GLU QG . . 3.660 2.353 1.935 3.670 0.010 18 0 "[ . 1 . 2]" 1
1089 1 12 GLU QB 1 13 PHE H . . 4.200 2.941 2.339 3.461 . 0 0 "[ . 1 . 2]" 1
1090 1 12 GLU QB 1 13 PHE QD . . 4.310 4.039 3.555 4.326 0.016 10 0 "[ . 1 . 2]" 1
1091 1 12 GLU QG 1 13 PHE H . . 4.340 3.924 3.403 4.327 . 0 0 "[ . 1 . 2]" 1
1092 1 13 PHE H 1 14 VAL QG . . 4.990 3.880 3.128 4.933 . 0 0 "[ . 1 . 2]" 1
1093 1 13 PHE QD 1 14 VAL QG . . 4.350 3.314 2.760 4.229 . 0 0 "[ . 1 . 2]" 1
1094 1 13 PHE QE 1 14 VAL QG . . 4.430 3.092 2.364 4.630 0.200 14 0 "[ . 1 . 2]" 1
1095 1 13 PHE QE 2 23 GLY QA . . 5.340 3.163 2.885 3.374 . 0 0 "[ . 1 . 2]" 1
1096 1 14 VAL H 1 14 VAL QG . . 3.880 2.265 1.875 3.247 . 0 0 "[ . 1 . 2]" 1
1097 1 17 PHE H 1 17 PHE QB . . 3.430 2.910 2.449 3.229 . 0 0 "[ . 1 . 2]" 1
1098 1 17 PHE HA 1 18 LEU QD . . 5.030 4.959 4.632 5.193 0.163 3 0 "[ . 1 . 2]" 1
1099 1 17 PHE QD 1 18 LEU QD . . 3.270 2.210 1.943 3.116 . 0 0 "[ . 1 . 2]" 1
1100 1 17 PHE QE 1 18 LEU QD . . 3.090 1.999 1.874 2.638 . 0 0 "[ . 1 . 2]" 1
1101 1 18 LEU H 1 18 LEU QD . . 4.600 3.493 2.624 3.963 . 0 0 "[ . 1 . 2]" 1
1102 1 18 LEU HA 1 18 LEU QD . . 2.750 2.316 1.870 2.766 0.016 20 0 "[ . 1 . 2]" 1
1103 1 18 LEU QD 1 19 ARG QD . . 4.360 3.590 2.479 4.453 0.093 3 0 "[ . 1 . 2]" 1
1104 1 19 ARG H 1 19 ARG QB . . 3.680 2.567 2.134 3.119 . 0 0 "[ . 1 . 2]" 1
1105 1 19 ARG H 1 19 ARG QG . . 4.220 2.999 1.860 4.088 . 0 0 "[ . 1 . 2]" 1
1106 1 19 ARG QD 1 20 GLY QA . . 3.830 3.521 2.599 4.066 0.236 19 0 "[ . 1 . 2]" 1
1107 1 20 GLY QA 1 21 PRO HA . . 4.250 4.075 4.024 4.233 . 0 0 "[ . 1 . 2]" 1
1108 2 3 GLU H 2 3 GLU QB . . 3.410 2.485 2.165 3.105 . 0 0 "[ . 1 . 2]" 1
1109 2 3 GLU HA 2 4 PRO QD . . 2.770 2.103 1.936 2.156 . 0 0 "[ . 1 . 2]" 1
1110 2 3 GLU QB 2 4 PRO QD . . 3.210 2.317 1.928 3.221 0.011 8 0 "[ . 1 . 2]" 1
1111 2 3 GLU QG 2 4 PRO QD . . 3.690 2.288 1.902 3.139 . 0 0 "[ . 1 . 2]" 1
1112 2 4 PRO QD 2 5 LEU QD . . 5.280 5.123 4.859 5.404 0.124 2 0 "[ . 1 . 2]" 1
1113 2 5 LEU H 2 5 LEU QB . . 3.160 2.563 2.253 3.211 0.051 2 0 "[ . 1 . 2]" 1
1114 2 5 LEU H 2 5 LEU QD . . 3.640 2.700 1.878 3.505 . 0 0 "[ . 1 . 2]" 1
1115 2 5 LEU HA 2 5 LEU QD . . 3.420 2.516 1.947 3.358 . 0 0 "[ . 1 . 2]" 1
1116 2 5 LEU QB 2 6 THR H . . 3.420 2.660 2.184 3.251 . 0 0 "[ . 1 . 2]" 1
1117 2 5 LEU QB 2 25 ARG QD . . 4.280 3.603 2.029 4.371 0.091 17 0 "[ . 1 . 2]" 1
1118 2 5 LEU QD 2 6 THR H . . 3.970 3.598 3.026 3.965 . 0 0 "[ . 1 . 2]" 1
1119 2 5 LEU QD 2 9 MET ME . . 3.250 2.510 1.895 3.255 0.005 18 0 "[ . 1 . 2]" 1
1120 2 5 LEU QD 2 22 LEU H . . 4.210 3.910 3.573 4.257 0.047 17 0 "[ . 1 . 2]" 1
1121 2 5 LEU QD 2 22 LEU HA . . 4.330 2.811 2.308 3.547 . 0 0 "[ . 1 . 2]" 1
1122 2 5 LEU QD 2 22 LEU HG . . 4.350 3.900 3.487 4.384 0.034 9 0 "[ . 1 . 2]" 1
1123 2 5 LEU QD 2 25 ARG H . . 5.000 3.667 3.033 4.096 . 0 0 "[ . 1 . 2]" 1
1124 2 5 LEU QD 2 25 ARG HA . . 4.530 4.217 3.746 4.547 0.017 6 0 "[ . 1 . 2]" 1
1125 2 5 LEU QD 2 25 ARG QB . . 3.090 2.286 1.902 3.064 . 0 0 "[ . 1 . 2]" 1
1126 2 5 LEU QD 2 25 ARG QD . . 3.250 1.916 1.685 2.593 . 0 0 "[ . 1 . 2]" 1
1127 2 6 THR H 2 9 MET QG . . 4.810 3.630 2.075 4.459 . 0 0 "[ . 1 . 2]" 1
1128 2 7 ALA HA 2 10 LEU QD . . 3.840 3.450 2.486 3.858 0.018 8 0 "[ . 1 . 2]" 1
1129 2 9 MET H 2 10 LEU QD . . 5.190 4.280 3.426 5.192 0.002 7 0 "[ . 1 . 2]" 1
1130 2 9 MET HA 2 9 MET QG . . 3.390 2.588 2.373 3.292 . 0 0 "[ . 1 . 2]" 1
1131 2 9 MET QG 2 10 LEU H . . 4.590 3.249 2.283 3.731 . 0 0 "[ . 1 . 2]" 1
1132 2 10 LEU H 2 10 LEU QD . . 3.770 2.737 2.020 3.612 . 0 0 "[ . 1 . 2]" 1
1133 2 10 LEU HA 2 10 LEU QD . . 3.530 2.192 1.864 3.156 . 0 0 "[ . 1 . 2]" 1
1134 2 10 LEU QB 2 50 ASN QD . . 5.340 4.905 3.975 5.347 0.007 2 0 "[ . 1 . 2]" 1
1135 2 10 LEU QD 2 11 ALA H . . 4.830 3.938 3.098 4.293 . 0 0 "[ . 1 . 2]" 1
1136 2 10 LEU QD 2 18 GLN H . . 4.670 4.445 3.952 4.679 0.009 4 0 "[ . 1 . 2]" 1
1137 2 10 LEU QD 2 18 GLN QB . . 3.830 2.455 1.877 2.910 . 0 0 "[ . 1 . 2]" 1
1138 2 10 LEU QD 2 18 GLN QG . . 4.490 1.938 1.739 2.229 . 0 0 "[ . 1 . 2]" 1
1139 2 10 LEU QD 2 21 MET ME . . 3.240 2.288 1.803 3.161 . 0 0 "[ . 1 . 2]" 1
1140 2 10 LEU QD 2 22 LEU H . . 3.970 3.409 2.835 3.961 . 0 0 "[ . 1 . 2]" 1
1141 2 10 LEU QD 2 22 LEU MD1 . . 3.600 2.960 2.455 3.581 . 0 0 "[ . 1 . 2]" 1
1142 2 10 LEU QD 2 22 LEU MD2 . . 2.970 2.579 2.238 2.968 . 0 0 "[ . 1 . 2]" 1
1143 2 10 LEU QD 2 50 ASN QB . . 4.440 3.853 2.979 4.445 0.005 17 0 "[ . 1 . 2]" 1
1144 2 10 LEU QD 2 50 ASN QD . . 3.840 3.087 2.553 3.842 0.002 15 0 "[ . 1 . 2]" 1
1145 2 12 SER H 2 12 SER QB . . 3.630 2.523 2.170 3.411 . 0 0 "[ . 1 . 2]" 1
1146 2 12 SER QB 2 13 ALA H . . 3.940 2.974 2.372 3.812 . 0 0 "[ . 1 . 2]" 1
1147 2 13 ALA H 2 14 PRO QD . . 4.820 4.364 4.327 4.372 . 0 0 "[ . 1 . 2]" 1
1148 2 13 ALA HA 2 14 PRO QD . . 3.340 2.152 2.142 2.156 . 0 0 "[ . 1 . 2]" 1
1149 2 13 ALA MB 2 14 PRO QD . . 3.000 1.981 1.926 2.071 . 0 0 "[ . 1 . 2]" 1
1150 2 13 ALA MB 2 17 GLU QB . . 3.000 2.415 2.201 2.662 . 0 0 "[ . 1 . 2]" 1
1151 2 13 ALA MB 2 17 GLU QG . . 3.910 3.477 2.214 3.909 . 0 0 "[ . 1 . 2]" 1
1152 2 13 ALA MB 2 18 GLN QB . . 4.780 4.406 3.794 4.771 . 0 0 "[ . 1 . 2]" 1
1153 2 13 ALA MB 2 21 MET QG . . 4.940 3.504 3.107 4.412 . 0 0 "[ . 1 . 2]" 1
1154 2 14 PRO QB 2 15 PRO QD . . 3.100 1.992 1.976 2.000 . 0 0 "[ . 1 . 2]" 1
1155 2 14 PRO QB 2 16 GLN H . . 4.770 2.212 2.194 2.320 . 0 0 "[ . 1 . 2]" 1
1156 2 14 PRO QD 2 17 GLU H . . 4.260 3.797 3.616 4.080 . 0 0 "[ . 1 . 2]" 1
1157 2 15 PRO QB 2 16 GLN H . . 3.960 3.515 3.334 3.585 . 0 0 "[ . 1 . 2]" 1
1158 2 15 PRO QG 2 16 GLN H . . 3.800 2.857 2.546 2.986 . 0 0 "[ . 1 . 2]" 1
1159 2 15 PRO QG 2 16 GLN QE . . 4.770 3.746 2.017 4.755 . 0 0 "[ . 1 . 2]" 1
1160 2 15 PRO QD 2 16 GLN H . . 4.320 2.721 2.622 2.778 . 0 0 "[ . 1 . 2]" 1
1161 2 16 GLN H 2 16 GLN QG . . 4.980 2.974 1.935 4.093 . 0 0 "[ . 1 . 2]" 1
1162 2 17 GLU H 2 17 GLU QB . . 2.930 2.308 2.158 2.606 . 0 0 "[ . 1 . 2]" 1
1163 2 17 GLU H 2 17 GLU QG . . 3.730 3.052 2.385 3.871 0.141 18 0 "[ . 1 . 2]" 1
1164 2 17 GLU H 2 18 GLN QB . . 4.650 4.111 3.871 4.376 . 0 0 "[ . 1 . 2]" 1
1165 2 17 GLU HA 2 17 GLU QG . . 3.540 2.661 2.285 3.178 . 0 0 "[ . 1 . 2]" 1
1166 2 17 GLU QB 2 17 GLU QG . . 2.360 2.014 1.971 2.086 . 0 0 "[ . 1 . 2]" 1
1167 2 17 GLU QB 2 18 GLN H . . 3.330 2.836 2.365 3.064 . 0 0 "[ . 1 . 2]" 1
1168 2 18 GLN H 2 18 GLN QB . . 3.030 2.287 2.151 2.537 . 0 0 "[ . 1 . 2]" 1
1169 2 18 GLN H 2 50 ASN QD . . 5.340 4.787 4.063 5.335 . 0 0 "[ . 1 . 2]" 1
1170 2 18 GLN QB 2 19 LYS H . . 4.100 2.617 2.424 2.996 . 0 0 "[ . 1 . 2]" 1
1171 2 18 GLN QB 2 50 ASN QD . . 3.350 2.089 1.799 2.451 . 0 0 "[ . 1 . 2]" 1
1172 2 19 LYS QB 2 20 GLN H . . 3.270 2.584 1.991 3.239 . 0 0 "[ . 1 . 2]" 1
1173 2 20 GLN H 2 20 GLN QB . . 2.880 2.608 2.385 2.655 . 0 0 "[ . 1 . 2]" 1
1174 2 20 GLN H 2 21 MET QG . . 4.880 4.312 3.963 4.755 . 0 0 "[ . 1 . 2]" 1
1175 2 20 GLN QB 2 21 MET H . . 3.900 2.775 2.490 3.497 . 0 0 "[ . 1 . 2]" 1
1176 2 21 MET H 2 21 MET QB . . 3.100 2.457 2.269 2.583 . 0 0 "[ . 1 . 2]" 1
1177 2 21 MET H 2 21 MET QG . . 3.000 2.335 2.038 2.702 . 0 0 "[ . 1 . 2]" 1
1178 2 21 MET QB 2 21 MET ME . . 3.110 2.578 2.114 3.118 0.008 17 0 "[ . 1 . 2]" 1
1179 2 21 MET QB 2 22 LEU MD2 . . 4.720 3.986 3.791 4.175 . 0 0 "[ . 1 . 2]" 1
1180 2 21 MET ME 2 21 MET QG . . 2.870 2.208 2.008 2.421 . 0 0 "[ . 1 . 2]" 1
1181 2 22 LEU H 2 22 LEU QB . . 3.370 2.358 2.289 2.607 . 0 0 "[ . 1 . 2]" 1
1182 2 22 LEU QB 2 23 GLY H . . 3.250 2.405 2.300 2.461 . 0 0 "[ . 1 . 2]" 1
1183 2 22 LEU QB 2 24 GLU H . . 4.650 4.572 4.472 4.660 0.010 20 0 "[ . 1 . 2]" 1
1184 2 22 LEU HG 2 50 ASN QD . . 4.350 3.848 3.218 4.368 0.018 9 0 "[ . 1 . 2]" 1
1185 2 22 LEU MD1 2 50 ASN QD . . 3.880 2.402 1.949 3.110 . 0 0 "[ . 1 . 2]" 1
1186 2 23 GLY H 2 24 GLU QB . . 4.600 4.446 4.396 4.607 0.007 17 0 "[ . 1 . 2]" 1
1187 2 23 GLY QA 2 25 ARG H . . 4.880 4.105 3.990 4.206 . 0 0 "[ . 1 . 2]" 1
1188 2 23 GLY QA 2 26 LEU H . . 4.460 3.204 3.157 3.257 . 0 0 "[ . 1 . 2]" 1
1189 2 23 GLY QA 2 26 LEU MD1 . . 4.230 2.167 2.015 2.322 . 0 0 "[ . 1 . 2]" 1
1190 2 23 GLY QA 2 27 PHE H . . 4.310 3.854 3.728 3.970 . 0 0 "[ . 1 . 2]" 1
1191 2 23 GLY QA 2 46 LEU MD1 . . 5.320 3.730 3.556 3.973 . 0 0 "[ . 1 . 2]" 1
1192 2 24 GLU H 2 24 GLU QB . . 3.270 2.156 2.081 2.245 . 0 0 "[ . 1 . 2]" 1
1193 2 24 GLU H 2 24 GLU QG . . 3.350 2.899 2.661 3.136 . 0 0 "[ . 1 . 2]" 1
1194 2 24 GLU H 2 25 ARG QB . . 5.340 4.709 4.515 4.910 . 0 0 "[ . 1 . 2]" 1
1195 2 24 GLU QB 2 25 ARG H . . 3.580 2.608 2.556 2.673 . 0 0 "[ . 1 . 2]" 1
1196 2 25 ARG H 2 25 ARG QB . . 2.940 2.349 2.204 2.502 . 0 0 "[ . 1 . 2]" 1
1197 2 25 ARG HA 2 25 ARG QG . . 3.550 2.470 2.184 2.707 . 0 0 "[ . 1 . 2]" 1
1198 2 25 ARG QB 2 25 ARG QD . . 3.220 2.091 1.926 2.559 . 0 0 "[ . 1 . 2]" 1
1199 2 25 ARG QB 2 26 LEU H . . 3.860 2.817 2.748 2.892 . 0 0 "[ . 1 . 2]" 1
1200 2 25 ARG QB 2 27 PHE H . . 4.720 4.605 4.498 4.657 . 0 0 "[ . 1 . 2]" 1
1201 2 25 ARG QG 2 27 PHE H . . 5.340 5.376 5.337 5.486 0.146 9 0 "[ . 1 . 2]" 1
1202 2 32 ALA H 2 33 MET QG . . 3.970 3.579 3.435 3.761 . 0 0 "[ . 1 . 2]" 1
1203 2 33 MET H 2 33 MET QG . . 3.190 2.641 2.360 2.865 . 0 0 "[ . 1 . 2]" 1
1204 2 33 MET HA 2 33 MET QG . . 3.220 2.533 2.462 2.577 . 0 0 "[ . 1 . 2]" 1
1205 2 33 MET ME 2 33 MET QG . . 2.780 2.191 2.023 2.326 . 0 0 "[ . 1 . 2]" 1
1206 2 33 MET QG 2 34 HIS H . . 4.070 3.608 3.548 3.693 . 0 0 "[ . 1 . 2]" 1
1207 2 34 HIS H 2 35 PRO QD . . 3.690 3.009 2.892 3.115 . 0 0 "[ . 1 . 2]" 1
1208 2 34 HIS HB3 2 35 PRO QD . . 4.380 4.103 4.029 4.156 . 0 0 "[ . 1 . 2]" 1
1209 2 38 ALA H 2 41 ILE QG . . 5.120 4.239 4.183 4.292 . 0 0 "[ . 1 . 2]" 1
1210 2 38 ALA HA 2 41 ILE QG . . 3.760 2.333 2.253 2.422 . 0 0 "[ . 1 . 2]" 1
1211 2 40 LYS QB 2 41 ILE H . . 3.370 2.153 2.071 2.325 . 0 0 "[ . 1 . 2]" 1
1212 2 40 LYS QB 2 41 ILE HA . . 4.560 3.892 3.728 4.178 . 0 0 "[ . 1 . 2]" 1
1213 2 40 LYS QB 2 41 ILE MG . . 4.270 3.127 3.029 3.264 . 0 0 "[ . 1 . 2]" 1
1214 2 40 LYS QB 2 41 ILE MD . . 4.370 4.391 4.374 4.416 0.046 11 0 "[ . 1 . 2]" 1
1215 2 40 LYS QB 2 42 THR H . . 4.630 4.253 4.175 4.354 . 0 0 "[ . 1 . 2]" 1
1216 2 41 ILE H 2 41 ILE QG . . 3.180 1.908 1.882 1.923 . 0 0 "[ . 1 . 2]" 1
1217 2 41 ILE QG 2 42 THR H . . 3.330 2.325 2.191 2.464 . 0 0 "[ . 1 . 2]" 1
1218 2 44 MET QG 2 45 LEU H . . 4.510 2.994 1.901 4.085 . 0 0 "[ . 1 . 2]" 1
1219 2 44 MET QG 2 73 VAL MG1 . . 5.340 5.337 5.175 5.433 0.093 20 0 "[ . 1 . 2]" 1
1220 2 46 LEU H 2 46 LEU QB . . 3.230 2.238 2.166 2.426 . 0 0 "[ . 1 . 2]" 1
1221 2 46 LEU H 2 47 GLU QB . . 5.340 4.389 4.239 4.471 . 0 0 "[ . 1 . 2]" 1
1222 2 46 LEU QB 2 47 GLU H . . 4.140 3.564 3.511 3.622 . 0 0 "[ . 1 . 2]" 1
1223 2 47 GLU H 2 47 GLU QB . . 3.070 2.234 2.129 2.272 . 0 0 "[ . 1 . 2]" 1
1224 2 47 GLU QB 2 48 ILE H . . 3.770 3.081 3.029 3.516 . 0 0 "[ . 1 . 2]" 1
1225 2 48 ILE MG 2 66 LYS QG . . 4.640 4.447 3.710 4.689 0.049 17 0 "[ . 1 . 2]" 1
1226 2 48 ILE MD 2 66 LYS QG . . 4.290 2.885 2.088 3.622 . 0 0 "[ . 1 . 2]" 1
1227 2 50 ASN HA 2 50 ASN QD . . 4.170 3.577 3.078 4.017 . 0 0 "[ . 1 . 2]" 1
1228 2 50 ASN QB 2 50 ASN QD . . 3.070 2.115 2.065 2.221 . 0 0 "[ . 1 . 2]" 1
1229 2 50 ASN QB 2 53 LEU H . . 5.340 5.032 4.895 5.156 . 0 0 "[ . 1 . 2]" 1
1230 2 50 ASN QB 2 53 LEU MD1 . . 4.180 3.768 3.695 3.825 . 0 0 "[ . 1 . 2]" 1
1231 2 52 GLU H 2 54 LEU QB . . 5.340 4.874 4.798 4.975 . 0 0 "[ . 1 . 2]" 1
1232 2 52 GLU HA 2 55 HIS QB . . 3.500 3.257 2.918 3.393 . 0 0 "[ . 1 . 2]" 1
1233 2 54 LEU H 2 54 LEU QB . . 2.940 2.123 2.031 2.219 . 0 0 "[ . 1 . 2]" 1
1234 2 54 LEU H 2 55 HIS QB . . 5.250 4.628 4.574 4.656 . 0 0 "[ . 1 . 2]" 1
1235 2 54 LEU QB 2 54 LEU MD1 . . 3.250 2.064 1.934 2.210 . 0 0 "[ . 1 . 2]" 1
1236 2 54 LEU QB 2 55 HIS H . . 3.360 2.760 2.618 2.879 . 0 0 "[ . 1 . 2]" 1
1237 2 54 LEU QB 2 57 LEU MD1 . . 4.560 4.032 3.747 4.507 . 0 0 "[ . 1 . 2]" 1
1238 2 55 HIS H 2 56 MET QB . . 4.460 4.215 4.068 4.295 . 0 0 "[ . 1 . 2]" 1
1239 2 55 HIS HA 2 58 GLU QB . . 5.340 5.095 4.158 5.347 0.007 11 0 "[ . 1 . 2]" 1
1240 2 55 HIS QB 2 56 MET H . . 3.420 2.887 2.761 2.933 . 0 0 "[ . 1 . 2]" 1
1241 2 56 MET H 2 56 MET QB . . 2.900 2.308 2.144 2.385 . 0 0 "[ . 1 . 2]" 1
1242 2 56 MET QB 2 56 MET ME . . 3.350 2.052 1.894 3.427 0.077 15 0 "[ . 1 . 2]" 1
1243 2 56 MET QB 2 57 LEU H . . 3.770 2.980 2.740 3.603 . 0 0 "[ . 1 . 2]" 1
1244 2 56 MET QB 2 57 LEU MD2 . . 4.270 3.322 3.082 4.074 . 0 0 "[ . 1 . 2]" 1
1245 2 56 MET QB 2 63 LEU HA . . 4.460 3.696 3.382 3.863 . 0 0 "[ . 1 . 2]" 1
1246 2 56 MET QB 2 63 LEU MD1 . . 3.950 3.343 2.980 3.547 . 0 0 "[ . 1 . 2]" 1
1247 2 56 MET ME 2 66 LYS QG . . 4.740 2.470 1.942 4.226 . 0 0 "[ . 1 . 2]" 1
1248 2 58 GLU H 2 58 GLU QB . . 3.070 2.689 2.609 2.810 . 0 0 "[ . 1 . 2]" 1
1249 2 58 GLU H 2 59 SER QB . . 4.130 3.804 3.631 3.953 . 0 0 "[ . 1 . 2]" 1
1250 2 59 SER H 2 59 SER QB . . 3.080 2.493 2.455 2.548 . 0 0 "[ . 1 . 2]" 1
1251 2 59 SER H 2 60 PRO QD . . 3.650 3.365 3.217 3.498 . 0 0 "[ . 1 . 2]" 1
1252 2 59 SER QB 2 62 SER H . . 3.850 3.159 2.725 3.528 . 0 0 "[ . 1 . 2]" 1
1253 2 59 SER QB 2 62 SER QB . . 3.960 2.441 2.159 2.661 . 0 0 "[ . 1 . 2]" 1
1254 2 60 PRO QB 2 63 LEU MD2 . . 4.920 4.091 3.696 4.647 . 0 0 "[ . 1 . 2]" 1
1255 2 65 SER H 2 68 ASP QB . . 5.340 4.966 4.723 5.109 . 0 0 "[ . 1 . 2]" 1
1256 2 65 SER QB 2 68 ASP QB . . 5.080 4.707 4.315 5.021 . 0 0 "[ . 1 . 2]" 1
1257 2 66 LYS H 2 66 LYS QG . . 4.190 2.994 1.918 3.931 . 0 0 "[ . 1 . 2]" 1
1258 2 66 LYS QB 2 67 VAL H . . 4.140 2.444 2.214 2.621 . 0 0 "[ . 1 . 2]" 1
1259 2 67 VAL H 2 68 ASP QB . . 4.780 4.627 4.591 4.652 . 0 0 "[ . 1 . 2]" 1
1260 2 68 ASP H 2 68 ASP QB . . 2.850 2.219 2.158 2.258 . 0 0 "[ . 1 . 2]" 1
1261 2 68 ASP QB 2 69 GLU H . . 3.460 2.557 2.496 2.616 . 0 0 "[ . 1 . 2]" 1
1262 2 69 GLU H 2 69 GLU QB . . 3.060 2.328 2.255 2.489 . 0 0 "[ . 1 . 2]" 1
1263 2 69 GLU QB 2 70 ALA MB . . 4.120 3.712 3.649 3.761 . 0 0 "[ . 1 . 2]" 1
1264 2 71 VAL MG1 2 75 GLN QG . . 3.630 3.536 2.955 3.638 0.008 3 0 "[ . 1 . 2]" 1
1265 2 72 ALA HA 2 75 GLN QG . . 4.310 2.393 1.992 2.739 . 0 0 "[ . 1 . 2]" 1
1266 2 74 LEU H 2 75 GLN QG . . 4.270 3.939 3.586 4.070 . 0 0 "[ . 1 . 2]" 1
1267 2 74 LEU HA 2 77 HIS QB . . 3.900 3.054 2.698 3.754 . 0 0 "[ . 1 . 2]" 1
1268 2 74 LEU MD2 2 77 HIS QB . . 4.500 2.783 1.874 3.530 . 0 0 "[ . 1 . 2]" 1
1269 2 75 GLN H 2 75 GLN QG . . 3.420 2.078 1.992 2.122 . 0 0 "[ . 1 . 2]" 1
1270 2 75 GLN HA 2 75 GLN QG . . 3.360 2.601 2.459 3.315 . 0 0 "[ . 1 . 2]" 1
1271 2 75 GLN HE22 2 75 GLN QG . . 3.600 3.230 3.217 3.385 . 0 0 "[ . 1 . 2]" 1
1272 2 75 GLN QG 2 76 ALA H . . 4.400 3.768 2.265 4.055 . 0 0 "[ . 1 . 2]" 1
1273 2 77 HIS QB 2 78 GLN H . . 3.650 2.637 1.956 3.653 0.003 14 0 "[ . 1 . 2]" 1
1274 2 80 LYS H 2 80 LYS QB . . 3.460 2.639 2.334 3.216 . 0 0 "[ . 1 . 2]" 1
1275 2 80 LYS H 2 80 LYS QG . . 4.500 3.317 1.943 4.271 . 0 0 "[ . 1 . 2]" 1
1276 2 80 LYS QB 2 81 GLU H . . 3.980 3.068 1.937 3.938 . 0 0 "[ . 1 . 2]" 1
1277 2 81 GLU H 2 81 GLU QB . . 3.450 2.617 2.208 3.267 . 0 0 "[ . 1 . 2]" 1
1278 1 4 PHE QD 2 45 LEU MD1 . . 4.050 4.005 3.582 4.127 0.077 18 0 "[ . 1 . 2]" 1
1279 1 4 PHE QD 2 73 VAL MG2 . . 6.250 5.324 5.088 5.557 . 0 0 "[ . 1 . 2]" 1
1280 1 4 PHE QE 2 44 MET ME . . 4.140 4.177 4.036 4.270 0.130 18 0 "[ . 1 . 2]" 1
1281 1 4 PHE QE 2 45 LEU MD2 . . 5.270 4.181 2.760 5.348 0.078 20 0 "[ . 1 . 2]" 1
1282 1 5 VAL HA 2 73 VAL MG1 . . 5.260 5.263 5.075 5.330 0.070 18 0 "[ . 1 . 2]" 1
1283 1 5 VAL HA 2 73 VAL MG2 . . 3.980 3.025 2.680 3.262 . 0 0 "[ . 1 . 2]" 1
1284 1 6 PRO HA 2 70 ALA MB . . 5.500 5.288 4.964 5.521 0.021 14 0 "[ . 1 . 2]" 1
1285 1 6 PRO HA 2 73 VAL MG1 . . 5.030 4.773 4.496 4.977 . 0 0 "[ . 1 . 2]" 1
1286 1 6 PRO HA 2 73 VAL MG2 . . 4.250 4.318 4.204 4.459 0.209 19 0 "[ . 1 . 2]" 1
1287 1 6 PRO HB2 2 73 VAL MG2 . . 4.450 3.711 3.641 3.881 . 0 0 "[ . 1 . 2]" 1
1288 1 6 PRO HB3 2 70 ALA MB . . 3.770 3.463 3.175 3.658 . 0 0 "[ . 1 . 2]" 1
1289 1 6 PRO HB3 2 73 VAL MG2 . . 4.630 4.381 4.344 4.498 . 0 0 "[ . 1 . 2]" 1
1290 1 6 PRO QD 2 44 MET ME . . 5.510 4.605 4.473 4.746 . 0 0 "[ . 1 . 2]" 1
1291 1 6 PRO QG 2 44 MET ME . . 3.530 3.201 2.950 3.414 . 0 0 "[ . 1 . 2]" 1
1292 1 6 PRO QG 2 70 ALA MB . . 4.070 2.824 2.518 2.967 . 0 0 "[ . 1 . 2]" 1
1293 1 8 VAL HA 2 70 ALA MB . . 6.300 4.826 4.531 5.275 . 0 0 "[ . 1 . 2]" 1
1294 1 8 VAL HA 2 73 VAL MG1 . . 4.770 2.957 2.732 3.138 . 0 0 "[ . 1 . 2]" 1
1295 1 8 VAL HA 2 74 LEU MD2 . . 4.930 4.853 4.525 5.004 0.074 3 0 "[ . 1 . 2]" 1
1296 1 8 VAL HB 2 44 MET ME . . 4.520 3.852 3.531 4.074 . 0 0 "[ . 1 . 2]" 1
1297 1 8 VAL HB 2 70 ALA MB . . 5.600 5.615 5.375 5.757 0.157 19 0 "[ . 1 . 2]" 1
1298 1 8 VAL HB 2 74 LEU MD2 . . 3.670 3.435 2.767 3.737 0.067 19 0 "[ . 1 . 2]" 1
1299 1 8 VAL MG2 2 73 VAL MG2 . . 5.380 5.031 4.861 5.363 . 0 0 "[ . 1 . 2]" 1
1300 1 8 VAL MG2 2 77 HIS HB2 . . 4.340 4.147 3.449 4.365 0.025 15 0 "[ . 1 . 2]" 1
1301 1 9 HIS HD2 2 77 HIS HE1 . . 4.840 4.567 3.489 4.877 0.037 17 0 "[ . 1 . 2]" 1
1302 1 10 ALA HA 2 44 MET ME . . 5.180 5.257 5.209 5.296 0.116 14 0 "[ . 1 . 2]" 1
1303 1 13 PHE HB3 2 42 THR MG . . 5.190 2.915 2.596 3.196 . 0 0 "[ . 1 . 2]" 1
1304 1 13 PHE QD 2 24 GLU HG2 . . 5.470 5.011 4.503 5.452 . 0 0 "[ . 1 . 2]" 1
1305 1 13 PHE QD 2 46 LEU MD1 . . 3.870 3.837 3.649 3.895 0.025 8 0 "[ . 1 . 2]" 1
1306 1 13 PHE QE 2 20 GLN HB2 . . 4.230 4.193 3.549 4.311 0.081 8 0 "[ . 1 . 2]" 1
1307 1 13 PHE QE 2 20 GLN HB3 . . 4.500 3.316 2.925 4.517 0.017 15 0 "[ . 1 . 2]" 1
1308 1 13 PHE QE 2 24 GLU HB2 . . 4.130 3.977 3.849 4.139 0.009 14 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 62
_Distance_constraint_stats_list.Viol_count 566
_Distance_constraint_stats_list.Viol_total 391.234
_Distance_constraint_stats_list.Viol_max 0.189
_Distance_constraint_stats_list.Viol_rms 0.0259
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0158
_Distance_constraint_stats_list.Viol_average_violations_only 0.0346
_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
2 18 GLN 0.162 0.033 2 0 "[ . 1 . 2]"
2 19 LYS 0.680 0.069 8 0 "[ . 1 . 2]"
2 20 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 21 MET 1.269 0.126 9 0 "[ . 1 . 2]"
2 22 LEU 0.478 0.033 2 0 "[ . 1 . 2]"
2 23 GLY 0.970 0.069 8 0 "[ . 1 . 2]"
2 24 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 25 ARG 3.204 0.126 9 0 "[ . 1 . 2]"
2 26 LEU 0.519 0.039 10 0 "[ . 1 . 2]"
2 27 PHE 0.320 0.049 9 0 "[ . 1 . 2]"
2 29 LEU 1.935 0.115 9 0 "[ . 1 . 2]"
2 30 ILE 0.203 0.039 10 0 "[ . 1 . 2]"
2 31 GLN 0.029 0.029 15 0 "[ . 1 . 2]"
2 37 LEU 0.771 0.062 9 0 "[ . 1 . 2]"
2 38 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 39 GLY 0.853 0.056 14 0 "[ . 1 . 2]"
2 40 LYS 1.106 0.074 15 0 "[ . 1 . 2]"
2 41 ILE 1.485 0.131 18 0 "[ . 1 . 2]"
2 42 THR 0.291 0.053 12 0 "[ . 1 . 2]"
2 43 GLY 1.359 0.062 9 0 "[ . 1 . 2]"
2 44 MET 1.701 0.102 12 0 "[ . 1 . 2]"
2 45 LEU 0.713 0.131 18 0 "[ . 1 . 2]"
2 46 LEU 0.291 0.053 12 0 "[ . 1 . 2]"
2 47 GLU 0.506 0.062 9 0 "[ . 1 . 2]"
2 48 ILE 0.595 0.102 12 0 "[ . 1 . 2]"
2 49 ASP 0.008 0.008 1 0 "[ . 1 . 2]"
2 50 ASN 0.273 0.024 4 0 "[ . 1 . 2]"
2 52 GLU 0.378 0.033 13 0 "[ . 1 . 2]"
2 53 LEU 1.829 0.109 5 0 "[ . 1 . 2]"
2 54 LEU 0.273 0.024 4 0 "[ . 1 . 2]"
2 56 MET 0.378 0.033 13 0 "[ . 1 . 2]"
2 57 LEU 1.821 0.109 5 0 "[ . 1 . 2]"
2 59 SER 0.512 0.054 16 0 "[ . 1 . 2]"
2 62 SER 0.712 0.055 20 0 "[ . 1 . 2]"
2 63 LEU 1.620 0.068 16 0 "[ . 1 . 2]"
2 64 ARG 0.280 0.029 19 0 "[ . 1 . 2]"
2 65 SER 0.296 0.080 19 0 "[ . 1 . 2]"
2 66 LYS 1.978 0.079 19 0 "[ . 1 . 2]"
2 67 VAL 2.447 0.081 19 0 "[ . 1 . 2]"
2 68 ASP 0.434 0.029 1 0 "[ . 1 . 2]"
2 69 GLU 0.365 0.080 19 0 "[ . 1 . 2]"
2 70 ALA 2.891 0.189 14 0 "[ . 1 . 2]"
2 71 VAL 1.339 0.081 19 0 "[ . 1 . 2]"
2 72 ALA 0.154 0.029 1 0 "[ . 1 . 2]"
2 73 VAL 0.069 0.047 19 0 "[ . 1 . 2]"
2 74 LEU 1.624 0.189 14 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 2 18 GLN O 2 22 LEU H . . 2.000 1.982 1.799 2.033 0.033 2 0 "[ . 1 . 2]" 2
2 2 18 GLN O 2 22 LEU N . . 3.000 2.945 2.775 2.998 . 0 0 "[ . 1 . 2]" 2
3 2 19 LYS O 2 23 GLY H . . 2.000 2.028 1.985 2.069 0.069 8 0 "[ . 1 . 2]" 2
4 2 19 LYS O 2 23 GLY N . . 3.000 2.995 2.941 3.015 0.015 8 0 "[ . 1 . 2]" 2
5 2 20 GLN O 2 24 GLU H . . 2.000 1.877 1.787 1.949 . 0 0 "[ . 1 . 2]" 2
6 2 20 GLN O 2 24 GLU N . . 3.000 2.736 2.719 2.748 . 0 0 "[ . 1 . 2]" 2
7 2 21 MET O 2 25 ARG H . . 2.000 2.055 2.013 2.126 0.126 9 0 "[ . 1 . 2]" 2
8 2 21 MET O 2 25 ARG N . . 3.000 3.002 2.964 3.044 0.044 9 0 "[ . 1 . 2]" 2
9 2 22 LEU O 2 26 LEU H . . 2.000 2.011 1.941 2.033 0.033 16 0 "[ . 1 . 2]" 2
10 2 22 LEU O 2 26 LEU N . . 3.000 2.844 2.770 2.929 . 0 0 "[ . 1 . 2]" 2
11 2 23 GLY O 2 27 PHE H . . 2.000 2.014 1.994 2.049 0.049 9 0 "[ . 1 . 2]" 2
12 2 23 GLY O 2 27 PHE N . . 3.000 2.752 2.737 2.788 . 0 0 "[ . 1 . 2]" 2
13 2 25 ARG O 2 29 LEU H . . 2.500 2.596 2.560 2.615 0.115 9 0 "[ . 1 . 2]" 2
14 2 25 ARG O 2 29 LEU N . . 3.500 3.484 3.439 3.514 0.014 9 0 "[ . 1 . 2]" 2
15 2 26 LEU O 2 30 ILE H . . 2.000 2.002 1.972 2.039 0.039 10 0 "[ . 1 . 2]" 2
16 2 26 LEU O 2 30 ILE N . . 3.000 2.980 2.947 3.014 0.014 10 0 "[ . 1 . 2]" 2
17 2 27 PHE O 2 31 GLN H . . 2.500 2.271 2.237 2.341 . 0 0 "[ . 1 . 2]" 2
18 2 27 PHE O 2 31 GLN N . . 3.000 2.968 2.913 3.029 0.029 15 0 "[ . 1 . 2]" 2
19 2 37 LEU O 2 41 ILE H . . 2.000 2.035 2.009 2.062 0.062 9 0 "[ . 1 . 2]" 2
20 2 37 LEU O 2 41 ILE N . . 3.000 2.993 2.964 3.019 0.019 17 0 "[ . 1 . 2]" 2
21 2 38 ALA O 2 42 THR H . . 2.000 1.935 1.881 1.993 . 0 0 "[ . 1 . 2]" 2
22 2 38 ALA O 2 42 THR N . . 3.000 2.747 2.717 2.835 . 0 0 "[ . 1 . 2]" 2
23 2 39 GLY O 2 43 GLY H . . 2.000 2.043 2.022 2.056 0.056 14 0 "[ . 1 . 2]" 2
24 2 39 GLY O 2 43 GLY N . . 3.000 2.896 2.806 2.985 . 0 0 "[ . 1 . 2]" 2
25 2 40 LYS O 2 44 MET H . . 2.500 2.551 2.520 2.574 0.074 15 0 "[ . 1 . 2]" 2
26 2 40 LYS O 2 44 MET N . . 3.500 3.499 3.473 3.516 0.016 15 0 "[ . 1 . 2]" 2
27 2 41 ILE O 2 45 LEU H . . 2.000 2.034 1.993 2.131 0.131 18 0 "[ . 1 . 2]" 2
28 2 41 ILE O 2 45 LEU N . . 3.000 2.967 2.931 3.034 0.034 18 0 "[ . 1 . 2]" 2
29 2 42 THR O 2 46 LEU H . . 2.000 1.955 1.811 2.053 0.053 12 0 "[ . 1 . 2]" 2
30 2 42 THR O 2 46 LEU N . . 3.000 2.898 2.747 2.986 . 0 0 "[ . 1 . 2]" 2
31 2 43 GLY O 2 47 GLU H . . 2.500 2.327 2.278 2.393 . 0 0 "[ . 1 . 2]" 2
32 2 43 GLY O 2 47 GLU N . . 3.000 3.022 2.958 3.062 0.062 9 0 "[ . 1 . 2]" 2
33 2 44 MET O 2 48 ILE H . . 2.500 2.410 2.285 2.494 . 0 0 "[ . 1 . 2]" 2
34 2 44 MET O 2 48 ILE N . . 3.000 3.021 2.915 3.102 0.102 12 0 "[ . 1 . 2]" 2
35 2 49 ASP O 2 53 LEU H . . 2.500 1.970 1.812 2.051 . 0 0 "[ . 1 . 2]" 2
36 2 49 ASP O 2 53 LEU N . . 3.000 2.929 2.779 3.008 0.008 1 0 "[ . 1 . 2]" 2
37 2 50 ASN O 2 54 LEU H . . 2.000 2.014 2.000 2.024 0.024 4 0 "[ . 1 . 2]" 2
38 2 50 ASN O 2 54 LEU N . . 3.000 2.942 2.924 2.974 . 0 0 "[ . 1 . 2]" 2
39 2 52 GLU O 2 56 MET H . . 2.000 2.019 2.005 2.033 0.033 13 0 "[ . 1 . 2]" 2
40 2 52 GLU O 2 56 MET N . . 3.000 2.845 2.790 2.878 . 0 0 "[ . 1 . 2]" 2
41 2 53 LEU O 2 57 LEU H . . 2.000 2.091 2.072 2.109 0.109 5 0 "[ . 1 . 2]" 2
42 2 53 LEU O 2 57 LEU N . . 3.000 2.922 2.852 3.009 0.009 5 0 "[ . 1 . 2]" 2
43 2 59 SER O 2 63 LEU H . . 2.000 2.016 1.912 2.054 0.054 16 0 "[ . 1 . 2]" 2
44 2 59 SER O 2 63 LEU N . . 3.000 2.980 2.872 3.016 0.016 5 0 "[ . 1 . 2]" 2
45 2 62 SER O 2 66 LYS H . . 2.000 2.034 2.016 2.055 0.055 20 0 "[ . 1 . 2]" 2
46 2 62 SER O 2 66 LYS N . . 3.000 2.992 2.971 3.016 0.016 20 0 "[ . 1 . 2]" 2
47 2 63 LEU O 2 67 VAL H . . 2.000 2.038 2.007 2.068 0.068 16 0 "[ . 1 . 2]" 2
48 2 63 LEU O 2 67 VAL N . . 3.000 3.015 2.981 3.047 0.047 16 0 "[ . 1 . 2]" 2
49 2 64 ARG O 2 68 ASP H . . 2.000 2.005 1.913 2.029 0.029 19 0 "[ . 1 . 2]" 2
50 2 64 ARG O 2 68 ASP N . . 3.000 2.975 2.876 3.008 0.008 8 0 "[ . 1 . 2]" 2
51 2 65 SER O 2 69 GLU H . . 2.000 1.946 1.806 2.080 0.080 19 0 "[ . 1 . 2]" 2
52 2 65 SER O 2 69 GLU N . . 3.000 2.870 2.736 3.016 0.016 19 0 "[ . 1 . 2]" 2
53 2 66 LYS O 2 70 ALA H . . 2.000 2.054 2.004 2.079 0.079 19 0 "[ . 1 . 2]" 2
54 2 66 LYS O 2 70 ALA N . . 3.000 3.004 2.948 3.042 0.042 19 0 "[ . 1 . 2]" 2
55 2 67 VAL O 2 71 VAL H . . 2.000 2.048 2.025 2.081 0.081 19 0 "[ . 1 . 2]" 2
56 2 67 VAL O 2 71 VAL N . . 3.000 3.018 2.992 3.048 0.048 19 0 "[ . 1 . 2]" 2
57 2 68 ASP O 2 72 ALA H . . 2.000 1.989 1.887 2.029 0.029 1 0 "[ . 1 . 2]" 2
58 2 68 ASP O 2 72 ALA N . . 3.000 2.860 2.774 2.972 . 0 0 "[ . 1 . 2]" 2
59 2 69 GLU O 2 73 VAL H . . 2.500 2.078 1.932 2.223 . 0 0 "[ . 1 . 2]" 2
60 2 69 GLU O 2 73 VAL N . . 3.000 2.910 2.745 3.047 0.047 19 0 "[ . 1 . 2]" 2
61 2 70 ALA O 2 74 LEU H . . 2.500 2.575 2.388 2.689 0.189 14 0 "[ . 1 . 2]" 2
62 2 70 ALA O 2 74 LEU N . . 3.500 3.340 3.131 3.481 . 0 0 "[ . 1 . 2]" 2
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