NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
615141 |
5izb   |
30042 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5izb
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 1080
_Distance_constraint_stats_list.Viol_count 1575
_Distance_constraint_stats_list.Viol_total 4007.945
_Distance_constraint_stats_list.Viol_max 1.336
_Distance_constraint_stats_list.Viol_rms 0.0506
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0093
_Distance_constraint_stats_list.Viol_average_violations_only 0.1272
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 1.252 0.173 3 0 "[ . 1 . 2]"
1 2 ILE 2.694 0.794 17 2 "[ .- 1 . + 2]"
1 3 LEU 6.241 0.374 2 0 "[ . 1 . 2]"
1 4 GLU 5.609 0.230 6 0 "[ . 1 . 2]"
1 5 ALA 0.011 0.011 17 0 "[ . 1 . 2]"
1 6 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 TYR 0.269 0.109 7 0 "[ . 1 . 2]"
1 8 THR 0.795 0.171 6 0 "[ . 1 . 2]"
1 9 ASN 0.390 0.202 3 0 "[ . 1 . 2]"
1 10 LEU 3.686 0.276 17 0 "[ . 1 . 2]"
1 11 LYS 2.010 0.264 19 0 "[ . 1 . 2]"
1 12 CYS 0.124 0.124 13 0 "[ . 1 . 2]"
1 13 ARG 1.410 0.184 17 0 "[ . 1 . 2]"
1 14 CYS 1.124 0.146 19 0 "[ . 1 . 2]"
1 16 GLY 0.001 0.001 4 0 "[ . 1 . 2]"
1 17 VAL 4.699 0.383 6 0 "[ . 1 . 2]"
1 18 ILE 5.167 0.251 18 0 "[ . 1 . 2]"
1 19 SER 0.437 0.081 10 0 "[ . 1 . 2]"
1 20 THR 2.927 0.251 18 0 "[ . 1 . 2]"
1 21 VAL 1.915 0.207 3 0 "[ . 1 . 2]"
1 22 VAL 16.422 0.664 2 5 "[ + . * 1 - *. * 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LEU 8.529 0.618 5 1 "[ + 1 . 2]"
1 25 ASN 0.069 0.069 6 0 "[ . 1 . 2]"
1 26 ILE 10.952 0.974 8 7 "[ ** . *+ * - . * 2]"
1 27 ILE 7.237 0.269 11 0 "[ . 1 . 2]"
1 28 ASP 2.777 0.218 20 0 "[ . 1 . 2]"
1 29 ARG 1.532 0.794 17 2 "[ .- 1 . + 2]"
1 30 ILE 4.028 0.208 8 0 "[ . 1 . 2]"
1 31 GLN 3.575 0.230 6 0 "[ . 1 . 2]"
1 32 VAL 3.051 0.230 20 0 "[ . 1 . 2]"
1 33 THR 2.038 0.173 19 0 "[ . 1 . 2]"
1 34 PRO 2.076 0.173 19 0 "[ . 1 . 2]"
1 35 PRO 0.276 0.188 11 0 "[ . 1 . 2]"
1 36 GLY 0.549 0.188 11 0 "[ . 1 . 2]"
1 37 ASN 0.530 0.175 5 0 "[ . 1 . 2]"
1 38 GLY 0.518 0.175 5 0 "[ . 1 . 2]"
1 39 CYS 2.268 0.183 12 0 "[ . 1 . 2]"
1 40 PRO 2.105 0.130 4 0 "[ . 1 . 2]"
1 41 LYS 2.111 0.301 4 0 "[ . 1 . 2]"
1 42 THR 2.656 0.249 16 0 "[ . 1 . 2]"
1 43 GLU 0.100 0.059 12 0 "[ . 1 . 2]"
1 44 VAL 13.658 0.479 15 0 "[ . 1 . 2]"
1 45 VAL 4.027 0.336 8 0 "[ . 1 . 2]"
1 46 ILE 8.102 0.549 14 1 "[ . 1 +. 2]"
1 47 TRP 8.168 0.336 8 0 "[ . 1 . 2]"
1 48 THR 1.998 0.136 16 0 "[ . 1 . 2]"
1 49 LYS 5.717 0.974 8 3 "[ * . + - . 2]"
1 50 MET 0.533 0.143 16 0 "[ . 1 . 2]"
1 51 LYS 0.126 0.126 4 0 "[ . 1 . 2]"
1 52 LYS 1.297 0.136 16 0 "[ . 1 . 2]"
1 53 VAL 4.427 0.327 19 0 "[ . 1 . 2]"
1 54 ILE 4.879 0.269 16 0 "[ . 1 . 2]"
1 55 CYS 1.488 0.185 15 0 "[ . 1 . 2]"
1 56 VAL 18.157 0.479 15 0 "[ . 1 . 2]"
1 57 ASN 5.725 0.383 6 0 "[ . 1 . 2]"
1 58 PRO 4.594 0.249 16 0 "[ . 1 . 2]"
1 59 ARG 1.894 0.181 6 0 "[ . 1 . 2]"
1 60 ALA 1.799 0.380 17 0 "[ . 1 . 2]"
1 61 LYS 0.746 0.168 17 0 "[ . 1 . 2]"
1 62 TRP 7.008 0.216 10 0 "[ . 1 . 2]"
1 63 LEU 35.724 0.681 3 2 "[ + - 1 . 2]"
1 64 GLN 3.162 0.241 2 0 "[ . 1 . 2]"
1 65 ARG 1.039 0.141 2 0 "[ . 1 . 2]"
1 66 LEU 19.284 0.681 3 2 "[ + - 1 . 2]"
1 67 LEU 36.263 1.336 19 20 [*********-********+*]
1 68 ARG 2.687 0.374 2 0 "[ . 1 . 2]"
1 69 HIS 0.941 0.113 16 0 "[ . 1 . 2]"
1 70 VAL 8.172 0.374 2 0 "[ . 1 . 2]"
1 71 GLN 20.491 1.336 19 14 "[** *** **-* *. **+*]"
1 75 LEU 0.651 0.120 5 0 "[ . 1 . 2]"
1 78 THR 0.886 0.111 10 0 "[ . 1 . 2]"
1 79 PRO 0.886 0.111 10 0 "[ . 1 . 2]"
1 80 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ALA 0.590 0.114 15 0 "[ . 1 . 2]"
1 82 PRO 0.590 0.114 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 LYS H 1 12 CYS H 3.500 2.370 5.200 4.123 2.450 4.650 . 0 0 "[ . 1 . 2]" 1
2 1 13 ARG H 1 14 CYS H 2.890 2.160 3.980 3.959 3.771 4.126 0.146 19 0 "[ . 1 . 2]" 1
3 1 16 GLY H 1 17 VAL H 3.540 2.380 5.280 4.375 4.036 4.648 . 0 0 "[ . 1 . 2]" 1
4 1 17 VAL H 1 18 ILE H 3.350 2.310 4.900 4.407 4.254 4.522 . 0 0 "[ . 1 . 2]" 1
5 1 20 THR H 1 21 VAL H 3.400 2.330 5.000 4.492 4.367 4.574 . 0 0 "[ . 1 . 2]" 1
6 1 24 LEU H 1 25 ASN H 2.950 2.180 4.100 2.679 2.523 2.820 . 0 0 "[ . 1 . 2]" 1
7 1 25 ASN H 1 26 ILE H 2.710 2.100 3.620 2.605 2.412 2.793 . 0 0 "[ . 1 . 2]" 1
8 1 28 ASP H 1 29 ARG H 2.820 2.140 3.840 2.274 2.102 2.478 0.038 11 0 "[ . 1 . 2]" 1
9 1 30 ILE H 1 47 TRP H 3.790 2.460 5.780 4.932 4.696 5.211 . 0 0 "[ . 1 . 2]" 1
10 1 30 ILE H 1 31 GLN H 3.490 2.360 5.180 4.098 3.972 4.315 . 0 0 "[ . 1 . 2]" 1
11 1 36 GLY H 1 39 CYS H 3.620 2.410 5.440 4.151 3.036 5.623 0.183 12 0 "[ . 1 . 2]" 1
12 1 41 LYS H 1 42 THR H 3.470 2.350 5.140 4.451 4.382 4.581 . 0 0 "[ . 1 . 2]" 1
13 1 29 ARG H 1 47 TRP H 3.220 2.270 4.650 3.315 3.056 3.527 . 0 0 "[ . 1 . 2]" 1
14 1 48 THR H 1 51 LYS H 3.590 2.400 5.380 4.010 3.796 4.335 . 0 0 "[ . 1 . 2]" 1
15 1 48 THR H 1 52 LYS H 3.110 2.230 4.420 3.400 2.777 3.722 . 0 0 "[ . 1 . 2]" 1
16 1 48 THR H 1 49 LYS H 3.740 2.450 5.680 4.581 4.532 4.640 . 0 0 "[ . 1 . 2]" 1
17 1 49 LYS H 1 50 MET H 3.230 2.270 4.660 2.554 2.461 2.674 . 0 0 "[ . 1 . 2]" 1
18 1 50 MET H 1 52 LYS H 3.380 2.330 4.960 3.717 3.401 3.945 . 0 0 "[ . 1 . 2]" 1
19 1 49 LYS H 1 51 LYS H 3.760 2.450 5.720 4.010 3.791 4.244 . 0 0 "[ . 1 . 2]" 1
20 1 50 MET H 1 51 LYS H 2.920 2.170 4.040 2.486 2.318 2.564 . 0 0 "[ . 1 . 2]" 1
21 1 51 LYS H 1 52 LYS H 2.630 2.070 3.460 2.663 2.562 2.790 . 0 0 "[ . 1 . 2]" 1
22 1 52 LYS H 1 53 VAL H 3.630 2.410 5.460 4.482 4.408 4.579 . 0 0 "[ . 1 . 2]" 1
23 1 53 VAL H 1 54 ILE H 3.530 2.380 5.250 4.246 4.156 4.347 . 0 0 "[ . 1 . 2]" 1
24 1 54 ILE H 1 55 CYS H 3.550 2.380 5.300 4.375 4.245 4.500 . 0 0 "[ . 1 . 2]" 1
25 1 55 CYS H 1 56 VAL H 3.680 2.430 5.560 4.413 4.276 4.500 . 0 0 "[ . 1 . 2]" 1
26 1 59 ARG H 1 60 ALA H 2.590 2.060 3.390 2.602 2.387 2.769 . 0 0 "[ . 1 . 2]" 1
27 1 57 ASN H 1 60 ALA H 3.860 2.480 5.920 4.715 4.308 4.962 . 0 0 "[ . 1 . 2]" 1
28 1 63 LEU H 1 64 GLN H 2.860 2.150 3.920 2.610 2.500 2.708 . 0 0 "[ . 1 . 2]" 1
29 1 64 GLN H 1 65 ARG H 2.870 2.160 3.940 2.731 2.632 2.872 . 0 0 "[ . 1 . 2]" 1
30 1 65 ARG H 1 66 LEU H 2.860 2.150 3.920 2.671 2.579 2.747 . 0 0 "[ . 1 . 2]" 1
31 1 66 LEU H 1 67 LEU H 2.940 2.180 4.080 2.592 2.448 2.768 . 0 0 "[ . 1 . 2]" 1
32 1 21 VAL H 1 62 TRP HE1 4.300 2.630 6.810 5.016 4.397 5.802 . 0 0 "[ . 1 . 2]" 1
33 1 62 TRP H 1 63 LEU H 3.300 2.300 4.800 2.612 2.463 2.704 . 0 0 "[ . 1 . 2]" 1
34 1 12 CYS H 1 13 ARG H 4.470 2.690 7.140 4.356 4.160 4.536 . 0 0 "[ . 1 . 2]" 1
35 1 57 ASN H 1 57 ASN HD22 3.730 2.440 5.660 4.500 3.796 4.726 . 0 0 "[ . 1 . 2]" 1
36 1 2 ILE HA 1 3 LEU H 2.900 2.170 4.000 2.228 2.168 2.291 0.002 1 0 "[ . 1 . 2]" 1
37 1 2 ILE MG 1 3 LEU H 3.010 2.200 4.230 2.916 2.424 3.387 . 0 0 "[ . 1 . 2]" 1
38 1 3 LEU H 1 3 LEU HB2 3.230 2.270 4.660 2.824 2.684 3.080 . 0 0 "[ . 1 . 2]" 1
39 1 3 LEU H 1 3 LEU HB3 3.230 2.270 4.660 2.484 2.375 2.590 . 0 0 "[ . 1 . 2]" 1
40 1 5 ALA H 1 5 ALA MB 2.990 2.190 4.180 2.387 2.277 2.474 . 0 0 "[ . 1 . 2]" 1
41 1 4 GLU HB2 1 5 ALA H 3.760 2.450 5.720 4.109 3.781 4.472 . 0 0 "[ . 1 . 2]" 1
42 1 4 GLU HB3 1 5 ALA H 3.760 2.450 5.720 3.208 2.736 4.108 . 0 0 "[ . 1 . 2]" 1
43 1 60 ALA H 1 60 ALA MB 2.640 2.080 3.480 2.252 2.209 2.281 . 0 0 "[ . 1 . 2]" 1
44 1 62 TRP H 1 62 TRP HB3 3.410 2.330 5.020 2.555 2.445 2.712 . 0 0 "[ . 1 . 2]" 1
45 1 62 TRP H 1 62 TRP HB2 3.410 2.330 5.020 3.625 3.597 3.665 . 0 0 "[ . 1 . 2]" 1
46 1 61 LYS HB2 1 62 TRP H 3.590 2.400 5.370 3.324 2.430 4.061 . 0 0 "[ . 1 . 2]" 1
47 1 61 LYS HB3 1 62 TRP H 3.590 2.400 5.370 3.310 2.399 4.060 0.001 13 0 "[ . 1 . 2]" 1
48 1 12 CYS HB2 1 13 ARG H 3.880 2.500 5.960 4.380 4.203 4.503 . 0 0 "[ . 1 . 2]" 1
49 1 12 CYS HB3 1 13 ARG H 3.880 2.500 5.960 3.752 3.439 3.939 . 0 0 "[ . 1 . 2]" 1
50 1 12 CYS HB2 1 14 CYS H 3.670 2.420 5.540 4.836 4.473 5.309 . 0 0 "[ . 1 . 2]" 1
51 1 14 CYS H 1 14 CYS HB2 3.410 2.330 5.020 2.954 2.513 3.291 . 0 0 "[ . 1 . 2]" 1
52 1 14 CYS H 1 14 CYS HB3 3.410 2.330 5.020 3.153 2.411 3.858 . 0 0 "[ . 1 . 2]" 1
53 1 12 CYS HB3 1 14 CYS H 3.670 2.420 5.540 4.686 4.303 5.295 . 0 0 "[ . 1 . 2]" 1
54 1 14 CYS H 1 45 VAL MG2 4.340 2.650 6.880 5.021 4.499 5.613 . 0 0 "[ . 1 . 2]" 1
55 1 16 GLY HA3 1 17 VAL H 2.840 2.150 3.880 2.512 2.149 3.204 0.001 4 0 "[ . 1 . 2]" 1
56 1 16 GLY HA2 1 17 VAL H 2.840 2.150 3.880 2.800 2.213 3.493 . 0 0 "[ . 1 . 2]" 1
57 1 17 VAL H 1 17 VAL HB 3.170 2.250 4.540 3.660 2.800 3.920 . 0 0 "[ . 1 . 2]" 1
58 1 18 ILE H 1 18 ILE HG12 3.380 2.320 4.960 3.652 2.384 4.012 . 0 0 "[ . 1 . 2]" 1
59 1 18 ILE H 1 18 ILE HG13 3.140 2.250 4.480 2.589 2.308 2.914 . 0 0 "[ . 1 . 2]" 1
60 1 18 ILE HB 1 19 SER H 4.260 2.620 6.720 4.062 3.623 4.309 . 0 0 "[ . 1 . 2]" 1
61 1 18 ILE MG 1 19 SER H 4.340 2.650 6.880 2.795 2.569 4.062 0.081 10 0 "[ . 1 . 2]" 1
62 1 20 THR H 1 20 THR HB 3.110 2.240 4.410 3.595 2.491 3.765 . 0 0 "[ . 1 . 2]" 1
63 1 18 ILE HB 1 20 THR H 3.250 2.290 4.700 3.284 2.741 3.679 . 0 0 "[ . 1 . 2]" 1
64 1 20 THR H 1 20 THR MG 2.990 2.200 4.170 2.665 2.298 3.787 . 0 0 "[ . 1 . 2]" 1
65 1 18 ILE HG13 1 20 THR H 3.820 2.470 5.840 5.485 3.407 5.812 . 0 0 "[ . 1 . 2]" 1
66 1 18 ILE MG 1 20 THR H 3.110 2.230 4.420 2.326 2.088 4.313 0.142 8 0 "[ . 1 . 2]" 1
67 1 18 ILE MD 1 20 THR H 3.350 2.310 4.900 4.900 3.987 5.151 0.251 18 0 "[ . 1 . 2]" 1
68 1 20 THR HB 1 21 VAL H 2.840 2.150 3.880 3.348 2.678 3.979 0.099 8 0 "[ . 1 . 2]" 1
69 1 21 VAL H 1 21 VAL HB 2.720 2.100 3.640 2.608 2.512 2.806 . 0 0 "[ . 1 . 2]" 1
70 1 20 THR MG 1 21 VAL H 3.070 2.220 4.340 3.863 2.422 4.100 . 0 0 "[ . 1 . 2]" 1
71 1 21 VAL H 1 21 VAL MG2 3.150 2.250 4.500 2.877 2.161 3.878 0.089 2 0 "[ . 1 . 2]" 1
72 1 21 VAL H 1 21 VAL MG1 3.150 2.250 4.500 3.159 2.123 3.847 0.127 7 0 "[ . 1 . 2]" 1
73 1 22 VAL HB 1 23 GLY H 3.440 2.340 5.080 4.029 3.907 4.171 . 0 0 "[ . 1 . 2]" 1
74 1 23 GLY H 1 26 ILE HG13 3.950 2.510 6.100 3.753 3.559 3.948 . 0 0 "[ . 1 . 2]" 1
75 1 23 GLY H 1 26 ILE HG12 3.950 2.510 6.100 2.985 2.683 3.171 . 0 0 "[ . 1 . 2]" 1
76 1 23 GLY H 1 26 ILE MD 3.130 2.240 4.470 2.531 2.265 2.740 . 0 0 "[ . 1 . 2]" 1
77 1 24 LEU H 1 24 LEU HB3 2.730 2.110 3.660 3.599 3.573 3.655 . 0 0 "[ . 1 . 2]" 1
78 1 24 LEU H 1 24 LEU HB2 2.730 2.110 3.660 2.409 2.320 2.755 . 0 0 "[ . 1 . 2]" 1
79 1 24 LEU H 1 24 LEU HG 2.900 2.170 4.000 3.670 2.127 3.930 0.043 17 0 "[ . 1 . 2]" 1
80 1 23 GLY HA2 1 24 LEU H 2.740 2.110 3.690 2.180 2.145 2.206 . 0 0 "[ . 1 . 2]" 1
81 1 23 GLY HA3 1 25 ASN H 3.610 2.400 5.420 3.677 3.450 4.015 . 0 0 "[ . 1 . 2]" 1
82 1 23 GLY HA2 1 25 ASN H 3.610 2.400 5.420 3.939 3.728 4.096 . 0 0 "[ . 1 . 2]" 1
83 1 25 ASN H 1 25 ASN HB2 2.890 2.160 3.990 3.048 2.414 3.674 . 0 0 "[ . 1 . 2]" 1
84 1 25 ASN H 1 25 ASN HB3 2.890 2.160 3.990 2.534 2.398 2.635 . 0 0 "[ . 1 . 2]" 1
85 1 24 LEU HG 1 25 ASN H 3.610 2.400 5.430 5.176 4.305 5.365 . 0 0 "[ . 1 . 2]" 1
86 1 24 LEU HB3 1 25 ASN H 3.120 2.240 4.440 3.761 3.463 4.054 . 0 0 "[ . 1 . 2]" 1
87 1 26 ILE H 1 27 ILE HB 3.430 2.340 5.070 4.596 4.434 4.805 . 0 0 "[ . 1 . 2]" 1
88 1 26 ILE H 1 26 ILE HG13 3.200 2.260 4.600 3.285 3.148 3.417 . 0 0 "[ . 1 . 2]" 1
89 1 26 ILE H 1 26 ILE HG12 3.200 2.260 4.600 2.323 2.195 2.415 0.065 11 0 "[ . 1 . 2]" 1
90 1 26 ILE H 1 26 ILE MG 2.880 2.160 3.960 2.524 2.349 2.670 . 0 0 "[ . 1 . 2]" 1
91 1 64 GLN QE 1 67 LEU QD 3.470 2.360 5.130 2.875 2.358 4.878 0.002 6 0 "[ . 1 . 2]" 1
92 1 24 LEU HA 1 27 ILE H 3.610 2.400 5.430 3.324 3.114 3.671 . 0 0 "[ . 1 . 2]" 1
93 1 26 ILE HB 1 27 ILE H 3.740 2.450 5.680 4.261 4.169 4.340 . 0 0 "[ . 1 . 2]" 1
94 1 27 ILE H 1 27 ILE HG13 2.990 2.200 4.170 2.303 2.213 2.431 . 0 0 "[ . 1 . 2]" 1
95 1 27 ILE H 1 27 ILE HB 2.890 2.160 3.990 2.551 2.435 2.660 . 0 0 "[ . 1 . 2]" 1
96 1 26 ILE HG13 1 27 ILE H 3.830 2.470 5.860 3.034 2.877 3.223 . 0 0 "[ . 1 . 2]" 1
97 1 26 ILE HG12 1 27 ILE H 3.830 2.470 5.860 3.213 3.032 3.472 . 0 0 "[ . 1 . 2]" 1
98 1 27 ILE H 1 27 ILE HG12 3.170 2.250 4.540 3.506 3.407 3.627 . 0 0 "[ . 1 . 2]" 1
99 1 27 ILE HA 1 28 ASP H 2.870 2.160 3.940 2.154 2.116 2.201 0.044 14 0 "[ . 1 . 2]" 1
100 1 28 ASP H 1 28 ASP HB2 3.190 2.270 4.580 2.812 2.601 3.071 . 0 0 "[ . 1 . 2]" 1
101 1 28 ASP H 1 28 ASP HB3 3.190 2.270 4.580 2.551 2.270 2.805 . 2 0 "[ . 1 . 2]" 1
102 1 27 ILE HG13 1 28 ASP H 4.070 2.550 6.340 5.111 4.995 5.203 . 0 0 "[ . 1 . 2]" 1
103 1 27 ILE MG 1 28 ASP H 3.020 2.200 4.240 2.914 2.521 3.135 . 0 0 "[ . 1 . 2]" 1
104 1 27 ILE HG12 1 28 ASP H 3.850 2.480 5.900 4.461 4.234 4.629 . 0 0 "[ . 1 . 2]" 1
105 1 28 ASP H 1 48 THR MG 3.890 2.490 5.980 3.916 3.654 4.341 . 0 0 "[ . 1 . 2]" 1
106 1 29 ARG H 1 47 TRP HA 3.760 2.450 5.720 4.905 4.738 5.112 . 0 0 "[ . 1 . 2]" 1
107 1 27 ILE HA 1 29 ARG H 3.610 2.400 5.420 4.040 3.708 4.214 . 0 0 "[ . 1 . 2]" 1
108 1 29 ARG H 1 47 TRP HB2 3.610 2.400 5.430 3.203 2.858 3.691 . 0 0 "[ . 1 . 2]" 1
109 1 29 ARG H 1 47 TRP HB3 3.610 2.400 5.430 4.368 4.091 4.857 . 0 0 "[ . 1 . 2]" 1
110 1 28 ASP HB2 1 29 ARG H 3.380 2.330 4.960 3.772 3.551 4.071 . 0 0 "[ . 1 . 2]" 1
111 1 28 ASP HB3 1 29 ARG H 3.380 2.330 4.960 2.461 2.307 2.843 0.023 12 0 "[ . 1 . 2]" 1
112 1 27 ILE MG 1 29 ARG H 3.130 2.250 4.460 3.251 2.787 3.637 . 0 0 "[ . 1 . 2]" 1
113 1 31 GLN H 1 31 GLN HG2 3.340 2.320 4.880 4.438 4.304 4.541 . 0 0 "[ . 1 . 2]" 1
114 1 32 VAL H 1 32 VAL HB 2.990 2.190 4.180 3.429 2.521 3.768 . 0 0 "[ . 1 . 2]" 1
115 1 33 THR H 1 33 THR HB 3.580 2.390 5.360 3.115 2.502 3.781 . 0 0 "[ . 1 . 2]" 1
116 1 35 PRO HA 1 36 GLY H 3.000 2.200 4.200 2.469 2.215 3.419 . 0 0 "[ . 1 . 2]" 1
117 1 35 PRO HB3 1 36 GLY H 3.340 2.320 4.880 3.907 3.392 4.687 . 0 0 "[ . 1 . 2]" 1
118 1 35 PRO HB2 1 36 GLY H 3.340 2.320 4.880 3.204 2.132 4.440 0.188 11 0 "[ . 1 . 2]" 1
119 1 39 CYS H 1 39 CYS HB2 3.410 2.330 5.020 2.597 2.342 2.782 . 0 0 "[ . 1 . 2]" 1
120 1 39 CYS H 1 39 CYS HB3 3.410 2.330 5.020 3.655 3.094 3.833 . 0 0 "[ . 1 . 2]" 1
121 1 40 PRO HB3 1 41 LYS H 3.750 2.450 5.700 4.275 3.927 4.468 . 0 0 "[ . 1 . 2]" 1
122 1 40 PRO HG2 1 41 LYS H 3.610 2.400 5.420 2.936 2.281 4.160 0.119 7 0 "[ . 1 . 2]" 1
123 1 41 LYS H 1 41 LYS HG2 3.130 2.240 4.470 2.941 2.332 4.326 . 0 0 "[ . 1 . 2]" 1
124 1 41 LYS H 1 41 LYS HG3 3.130 2.240 4.470 3.064 2.503 3.413 . 0 0 "[ . 1 . 2]" 1
125 1 41 LYS HB2 1 42 THR H 3.190 2.270 4.580 2.818 2.245 4.026 0.025 20 0 "[ . 1 . 2]" 1
126 1 41 LYS HB3 1 42 THR H 3.190 2.270 4.580 3.465 2.408 3.870 . 0 0 "[ . 1 . 2]" 1
127 1 42 THR H 1 42 THR MG 3.640 2.410 5.490 3.698 2.468 3.864 . 0 0 "[ . 1 . 2]" 1
128 1 43 GLU H 1 43 GLU HB2 3.590 2.400 5.370 3.035 2.515 3.991 . 0 0 "[ . 1 . 2]" 1
129 1 44 VAL H 1 44 VAL HB 3.260 2.280 4.720 2.717 2.531 2.832 . 0 0 "[ . 1 . 2]" 1
130 1 44 VAL H 1 44 VAL MG2 3.040 2.210 4.280 2.786 2.434 3.006 . 0 0 "[ . 1 . 2]" 1
131 1 44 VAL H 1 44 VAL MG1 3.570 2.390 5.340 3.910 3.819 3.965 . 0 0 "[ . 1 . 2]" 1
132 1 45 VAL H 1 45 VAL HB 3.140 2.250 4.480 2.615 2.516 2.725 . 0 0 "[ . 1 . 2]" 1
133 1 45 VAL H 1 45 VAL MG1 3.700 2.430 5.610 3.857 3.825 3.887 . 0 0 "[ . 1 . 2]" 1
134 1 46 ILE H 1 46 ILE HB 3.070 2.220 4.340 2.563 2.475 2.775 . 0 0 "[ . 1 . 2]" 1
135 1 47 TRP H 1 47 TRP HB2 3.410 2.330 5.020 2.465 2.420 2.568 . 0 0 "[ . 1 . 2]" 1
136 1 47 TRP H 1 47 TRP HB3 3.410 2.330 5.020 3.666 3.641 3.715 . 0 0 "[ . 1 . 2]" 1
137 1 46 ILE MG 1 47 TRP H 3.090 2.230 4.380 3.074 2.727 3.352 . 0 0 "[ . 1 . 2]" 1
138 1 47 TRP HA 1 48 THR H 2.580 2.060 3.360 2.185 2.124 2.233 . 0 0 "[ . 1 . 2]" 1
139 1 48 THR H 1 51 LYS HA 3.940 2.520 6.080 3.962 3.655 4.506 . 0 0 "[ . 1 . 2]" 1
140 1 47 TRP HB2 1 48 THR H 3.730 2.440 5.660 4.275 4.139 4.394 . 0 0 "[ . 1 . 2]" 1
141 1 47 TRP HB3 1 48 THR H 3.730 2.440 5.660 3.355 3.116 3.610 . 0 0 "[ . 1 . 2]" 1
142 1 48 THR HA 1 49 LYS H 2.900 2.170 4.000 2.478 2.373 2.614 . 0 0 "[ . 1 . 2]" 1
143 1 27 ILE HA 1 49 LYS H 3.780 2.460 5.760 4.234 3.635 4.662 . 0 0 "[ . 1 . 2]" 1
144 1 28 ASP HB2 1 49 LYS H 4.000 2.540 6.200 3.162 2.695 4.361 . 0 0 "[ . 1 . 2]" 1
145 1 49 LYS H 1 49 LYS HB3 3.260 2.290 4.710 3.310 2.520 3.669 . 0 0 "[ . 1 . 2]" 1
146 1 49 LYS H 1 49 LYS HB2 2.870 2.160 3.940 2.832 2.396 3.662 . 0 0 "[ . 1 . 2]" 1
147 1 49 LYS H 1 49 LYS HG2 3.330 2.310 4.860 3.054 2.175 3.643 0.135 3 0 "[ . 1 . 2]" 1
148 1 49 LYS H 1 49 LYS HG3 3.330 2.310 4.860 2.705 2.282 3.689 0.028 1 0 "[ . 1 . 2]" 1
149 1 48 THR MG 1 49 LYS H 3.180 2.260 4.560 3.675 3.557 3.823 . 0 0 "[ . 1 . 2]" 1
150 1 48 THR HG1 1 50 MET H 3.840 2.480 5.880 3.900 3.464 4.295 . 0 0 "[ . 1 . 2]" 1
151 1 48 THR HA 1 50 MET H 3.950 2.510 6.100 4.136 3.895 4.429 . 0 0 "[ . 1 . 2]" 1
152 1 50 MET H 1 51 LYS HA 3.560 2.390 5.320 4.656 4.434 4.780 . 0 0 "[ . 1 . 2]" 1
153 1 50 MET H 1 50 MET HG2 3.530 2.380 5.250 3.663 3.426 3.921 . 0 0 "[ . 1 . 2]" 1
154 1 50 MET H 1 50 MET HG3 3.530 2.380 5.250 2.528 2.265 3.571 0.115 14 0 "[ . 1 . 2]" 1
155 1 50 MET H 1 50 MET HB3 3.280 2.300 4.760 3.623 3.587 3.685 . 0 0 "[ . 1 . 2]" 1
156 1 49 LYS HB3 1 50 MET H 3.600 2.400 5.400 4.069 3.846 4.415 . 0 0 "[ . 1 . 2]" 1
157 1 50 MET H 1 50 MET HB2 3.010 2.200 4.220 2.480 2.404 2.536 . 0 0 "[ . 1 . 2]" 1
158 1 48 THR MG 1 50 MET H 3.380 2.330 4.960 4.196 4.021 4.393 . 0 0 "[ . 1 . 2]" 1
159 1 48 THR HA 1 51 LYS H 3.960 2.520 6.120 4.697 4.480 4.938 . 0 0 "[ . 1 . 2]" 1
160 1 51 LYS H 1 51 LYS HA 2.450 2.010 3.100 2.232 2.211 2.259 . 0 0 "[ . 1 . 2]" 1
161 1 50 MET HB3 1 51 LYS H 3.710 2.440 5.620 4.330 4.209 4.409 . 0 0 "[ . 1 . 2]" 1
162 1 51 LYS H 1 51 LYS HB2 3.200 2.260 4.600 3.627 3.548 3.742 . 0 0 "[ . 1 . 2]" 1
163 1 51 LYS H 1 51 LYS HB3 3.200 2.260 4.600 4.132 4.088 4.167 . 0 0 "[ . 1 . 2]" 1
164 1 48 THR MG 1 51 LYS H 3.840 2.480 5.880 4.910 4.675 5.204 . 0 0 "[ . 1 . 2]" 1
165 1 47 TRP HA 1 52 LYS H 3.760 2.450 5.720 4.967 4.401 5.379 . 0 0 "[ . 1 . 2]" 1
166 1 51 LYS HA 1 52 LYS H 2.900 2.170 4.000 3.067 2.778 3.279 . 0 0 "[ . 1 . 2]" 1
167 1 51 LYS HB2 1 52 LYS H 3.810 2.470 5.820 4.026 3.747 4.336 . 0 0 "[ . 1 . 2]" 1
168 1 51 LYS HB3 1 52 LYS H 3.810 2.470 5.820 4.450 4.391 4.501 . 0 0 "[ . 1 . 2]" 1
169 1 50 MET HB2 1 52 LYS H 3.880 2.490 5.970 3.124 2.631 3.709 . 0 0 "[ . 1 . 2]" 1
170 1 53 VAL H 1 53 VAL HB 2.810 2.140 3.820 2.561 2.496 2.661 . 0 0 "[ . 1 . 2]" 1
171 1 52 LYS HG3 1 53 VAL H 3.720 2.440 5.640 4.036 3.455 4.274 . 0 0 "[ . 1 . 2]" 1
172 1 54 ILE H 1 54 ILE HB 3.090 2.230 4.380 2.619 2.517 2.700 . 0 0 "[ . 1 . 2]" 1
173 1 54 ILE H 1 54 ILE HG13 3.340 2.310 4.890 2.710 2.569 2.940 . 0 0 "[ . 1 . 2]" 1
174 1 54 ILE H 1 54 ILE MD 3.560 2.390 5.320 3.973 3.869 4.147 . 0 0 "[ . 1 . 2]" 1
175 1 54 ILE HA 1 55 CYS H 2.630 2.070 3.460 2.223 2.172 2.306 . 0 0 "[ . 1 . 2]" 1
176 1 55 CYS H 1 55 CYS HB2 3.200 2.270 4.590 2.722 2.444 3.746 . 0 0 "[ . 1 . 2]" 1
177 1 55 CYS H 1 55 CYS HB3 3.200 2.270 4.590 3.603 2.648 3.823 . 0 0 "[ . 1 . 2]" 1
178 1 54 ILE HB 1 55 CYS H 3.280 2.300 4.760 4.211 4.025 4.388 . 0 0 "[ . 1 . 2]" 1
179 1 54 ILE HG12 1 55 CYS H 3.360 2.320 4.920 4.604 4.408 4.735 . 0 0 "[ . 1 . 2]" 1
180 1 54 ILE MG 1 55 CYS H 2.860 2.150 3.920 2.767 2.483 3.130 . 0 0 "[ . 1 . 2]" 1
181 1 55 CYS HA 1 56 VAL H 2.860 2.150 3.920 2.198 2.126 2.284 0.024 18 0 "[ . 1 . 2]" 1
182 1 56 VAL H 1 56 VAL HB 3.290 2.290 4.780 3.863 3.760 3.925 . 0 0 "[ . 1 . 2]" 1
183 1 56 VAL H 1 56 VAL MG1 3.620 2.410 5.440 3.032 2.666 3.366 . 0 0 "[ . 1 . 2]" 1
184 1 44 VAL MG1 1 56 VAL H 3.990 2.530 6.180 4.036 3.765 4.276 . 0 0 "[ . 1 . 2]" 1
185 1 57 ASN H 1 60 ALA MB 3.670 2.420 5.540 3.522 3.301 3.858 . 0 0 "[ . 1 . 2]" 1
186 1 56 VAL MG1 1 57 ASN H 2.860 2.150 3.920 3.727 3.602 3.895 . 0 0 "[ . 1 . 2]" 1
187 1 57 ASN H 1 63 LEU QD 3.920 2.500 6.040 4.250 3.823 4.586 . 0 0 "[ . 1 . 2]" 1
188 1 57 ASN HB2 1 59 ARG H 3.970 2.530 6.140 2.869 2.555 3.277 . 0 0 "[ . 1 . 2]" 1
189 1 59 ARG H 1 60 ALA MB 3.970 2.520 6.140 4.229 4.035 4.406 . 0 0 "[ . 1 . 2]" 1
190 1 57 ASN HB2 1 60 ALA H 3.650 2.420 5.500 4.241 3.726 4.544 . 0 0 "[ . 1 . 2]" 1
191 1 57 ASN HB3 1 60 ALA H 3.820 2.470 5.840 5.201 4.845 5.406 . 0 0 "[ . 1 . 2]" 1
192 1 59 ARG HB2 1 60 ALA H 3.430 2.340 5.060 3.909 3.369 4.472 . 0 0 "[ . 1 . 2]" 1
193 1 59 ARG HB3 1 60 ALA H 3.430 2.340 5.060 4.025 3.064 4.484 . 0 0 "[ . 1 . 2]" 1
194 1 60 ALA H 1 63 LEU QD 3.470 2.360 5.130 3.217 2.923 3.572 . 0 0 "[ . 1 . 2]" 1
195 1 60 ALA MB 1 61 LYS H 3.910 2.500 6.020 3.167 2.992 3.310 . 0 0 "[ . 1 . 2]" 1
196 1 21 VAL HA 1 62 TRP HE1 3.380 2.330 4.960 3.643 2.933 4.498 . 0 0 "[ . 1 . 2]" 1
197 1 56 VAL MG1 1 62 TRP HE1 3.470 2.360 5.130 4.282 3.218 4.742 . 0 0 "[ . 1 . 2]" 1
198 1 56 VAL MG2 1 62 TRP HE1 3.680 2.430 5.560 5.157 4.180 5.390 . 0 0 "[ . 1 . 2]" 1
199 1 21 VAL MG2 1 62 TRP HE1 3.800 2.470 5.800 3.798 3.124 5.110 . 0 0 "[ . 1 . 2]" 1
200 1 21 VAL MG1 1 62 TRP HE1 3.800 2.470 5.800 5.039 4.319 5.776 . 0 0 "[ . 1 . 2]" 1
201 1 63 LEU H 1 63 LEU HB3 3.220 2.280 4.640 2.424 2.346 2.474 . 0 0 "[ . 1 . 2]" 1
202 1 60 ALA MB 1 63 LEU H 3.400 2.330 5.000 2.786 2.626 2.924 . 0 0 "[ . 1 . 2]" 1
203 1 63 LEU H 1 63 LEU HB2 3.400 2.330 5.000 2.542 2.461 2.603 . 0 0 "[ . 1 . 2]" 1
204 1 64 GLN H 1 64 GLN HG2 3.120 2.240 4.440 2.790 2.222 4.431 0.018 18 0 "[ . 1 . 2]" 1
205 1 64 GLN H 1 64 GLN HG3 3.120 2.240 4.440 3.892 3.570 4.566 0.126 17 0 "[ . 1 . 2]" 1
206 1 64 GLN H 1 64 GLN HB2 2.930 2.180 4.060 2.404 2.288 2.471 . 0 0 "[ . 1 . 2]" 1
207 1 64 GLN H 1 64 GLN HB3 2.930 2.180 4.060 3.416 2.512 3.621 . 0 0 "[ . 1 . 2]" 1
208 1 63 LEU HB3 1 64 GLN H 3.240 2.280 4.680 2.683 2.520 2.884 . 0 0 "[ . 1 . 2]" 1
209 1 63 LEU HG 1 64 GLN H 3.670 2.420 5.540 3.878 3.600 4.112 . 0 0 "[ . 1 . 2]" 1
210 1 63 LEU HB2 1 64 GLN H 3.500 2.370 5.200 3.950 3.866 4.052 . 0 0 "[ . 1 . 2]" 1
211 1 64 GLN HB2 1 65 ARG H 3.170 2.250 4.540 3.041 2.676 3.932 . 0 0 "[ . 1 . 2]" 1
212 1 64 GLN HB3 1 65 ARG H 3.170 2.250 4.540 3.487 2.581 3.895 . 0 0 "[ . 1 . 2]" 1
213 1 65 ARG H 1 65 ARG HG2 3.340 2.310 4.890 3.392 2.267 4.042 0.043 1 0 "[ . 1 . 2]" 1
214 1 65 ARG H 1 65 ARG HG3 3.340 2.310 4.890 2.538 2.232 4.030 0.078 17 0 "[ . 1 . 2]" 1
215 1 66 LEU H 1 66 LEU MD1 3.590 2.400 5.380 3.433 2.279 4.291 0.121 6 0 "[ . 1 . 2]" 1
216 1 66 LEU H 1 66 LEU MD2 3.590 2.400 5.380 3.409 2.243 4.266 0.157 8 0 "[ . 1 . 2]" 1
217 1 63 LEU HA 1 67 LEU H 4.040 2.540 6.280 4.310 4.176 4.540 . 0 0 "[ . 1 . 2]" 1
218 1 63 LEU HG 1 67 LEU H 3.640 2.410 5.490 3.981 3.827 4.258 . 0 0 "[ . 1 . 2]" 1
219 1 67 LEU H 1 67 LEU QD 3.060 2.220 4.320 3.087 2.997 3.198 . 0 0 "[ . 1 . 2]" 1
220 1 63 LEU QD 1 67 LEU H 3.890 2.490 5.980 3.963 3.822 4.091 . 0 0 "[ . 1 . 2]" 1
221 1 69 HIS H 1 69 HIS HB2 3.470 2.350 5.140 2.486 2.262 2.661 0.088 5 0 "[ . 1 . 2]" 1
222 1 69 HIS H 1 69 HIS HB3 3.470 2.350 5.140 2.903 2.499 3.622 . 0 0 "[ . 1 . 2]" 1
223 1 67 LEU HA 1 71 GLN H 3.110 2.240 4.410 5.037 4.318 5.746 1.336 19 13 "[** *** **-* *. *+*]" 1
224 1 56 VAL HB 1 57 ASN H 2.850 2.150 3.900 2.498 2.341 2.692 . 0 0 "[ . 1 . 2]" 1
225 1 57 ASN H 1 57 ASN HB3 2.830 2.140 3.860 2.734 2.592 2.957 . 0 0 "[ . 1 . 2]" 1
226 1 57 ASN H 1 57 ASN HB2 2.870 2.160 3.940 3.655 3.614 3.705 . 0 0 "[ . 1 . 2]" 1
227 1 47 TRP H 1 47 TRP HD1 3.720 2.440 5.640 5.051 4.861 5.244 . 0 0 "[ . 1 . 2]" 1
228 1 54 ILE H 1 54 ILE HG12 3.220 2.280 4.640 3.864 3.626 4.040 . 0 0 "[ . 1 . 2]" 1
229 1 54 ILE H 1 54 ILE MG 3.320 2.310 4.830 3.879 3.828 3.915 . 0 0 "[ . 1 . 2]" 1
230 1 55 CYS H 1 56 VAL MG1 3.540 2.380 5.280 4.111 3.504 4.452 . 0 0 "[ . 1 . 2]" 1
231 1 48 THR MG 1 54 ILE H 3.860 2.480 5.920 4.159 3.594 4.962 . 0 0 "[ . 1 . 2]" 1
232 1 58 PRO HA 1 60 ALA H 3.650 2.420 5.500 3.805 3.522 4.033 . 0 0 "[ . 1 . 2]" 1
233 1 24 LEU HB2 1 25 ASN H 3.120 2.240 4.440 3.022 2.827 3.288 . 0 0 "[ . 1 . 2]" 1
234 1 18 ILE H 1 18 ILE HB 2.890 2.160 3.990 2.844 2.612 3.825 . 0 0 "[ . 1 . 2]" 1
235 1 28 ASP H 1 47 TRP HB2 4.190 2.590 6.580 4.690 4.452 4.924 . 0 0 "[ . 1 . 2]" 1
236 1 28 ASP H 1 47 TRP HB3 4.190 2.590 6.580 5.170 4.925 5.573 . 0 0 "[ . 1 . 2]" 1
237 1 30 ILE HB 1 31 GLN H 3.430 2.340 5.070 4.420 4.098 4.499 . 0 0 "[ . 1 . 2]" 1
238 1 45 VAL MG1 1 46 ILE H 3.160 2.260 4.520 3.120 2.400 3.280 . 0 0 "[ . 1 . 2]" 1
239 1 45 VAL MG2 1 47 TRP HE1 3.860 2.480 5.920 6.075 5.875 6.256 0.336 8 0 "[ . 1 . 2]" 1
240 1 17 VAL HA 1 18 ILE H 3.050 2.220 4.290 2.192 2.152 2.265 0.068 8 0 "[ . 1 . 2]" 1
241 1 18 ILE HA 1 20 THR H 3.700 2.430 5.610 3.959 3.711 4.303 . 0 0 "[ . 1 . 2]" 1
242 1 5 ALA HA 1 32 VAL H 4.570 2.720 7.350 3.264 2.814 3.703 . 0 0 "[ . 1 . 2]" 1
243 1 46 ILE HA 1 47 TRP H 3.030 2.210 4.260 2.207 2.168 2.239 0.042 5 0 "[ . 1 . 2]" 1
244 1 29 ARG HA 1 47 TRP H 3.740 2.450 5.680 4.837 4.590 5.096 . 0 0 "[ . 1 . 2]" 1
245 1 48 THR H 1 53 VAL HA 3.590 2.400 5.370 4.031 3.634 4.394 . 0 0 "[ . 1 . 2]" 1
246 1 51 LYS H 1 52 LYS HA 3.800 2.470 5.800 5.312 5.239 5.391 . 0 0 "[ . 1 . 2]" 1
247 1 53 VAL HA 1 54 ILE H 2.940 2.180 4.080 2.188 2.161 2.227 0.019 19 0 "[ . 1 . 2]" 1
248 1 56 VAL HA 1 57 ASN H 2.740 2.110 3.690 2.377 2.249 2.470 . 0 0 "[ . 1 . 2]" 1
249 1 48 THR HG1 1 52 LYS H 4.170 2.590 6.540 2.537 2.454 2.668 0.136 16 0 "[ . 1 . 2]" 1
250 1 57 ASN HD21 1 59 ARG HB2 3.720 2.440 5.640 3.823 2.537 5.058 . 0 0 "[ . 1 . 2]" 1
251 1 31 GLN HE22 1 45 VAL MG2 4.100 2.560 6.400 5.305 3.670 6.213 . 0 0 "[ . 1 . 2]" 1
252 1 57 ASN HD22 1 60 ALA HA 3.860 2.480 5.920 4.643 3.751 6.300 0.380 17 0 "[ . 1 . 2]" 1
253 1 57 ASN HD22 1 59 ARG HB2 4.000 2.540 6.200 3.009 2.359 5.162 0.181 6 0 "[ . 1 . 2]" 1
254 1 57 ASN HD22 1 59 ARG HB3 4.000 2.540 6.200 3.639 2.400 4.704 0.140 3 0 "[ . 1 . 2]" 1
255 1 57 ASN HD22 1 60 ALA MB 3.700 2.430 5.610 4.210 3.471 5.225 . 0 0 "[ . 1 . 2]" 1
256 1 64 GLN HA 1 67 LEU H 3.730 2.440 5.660 3.254 3.149 3.418 . 0 0 "[ . 1 . 2]" 1
257 1 45 VAL HA 1 55 CYS HA 3.550 2.380 5.310 2.459 2.280 2.856 0.100 20 0 "[ . 1 . 2]" 1
258 1 26 ILE HA 1 26 ILE MD 3.850 2.480 5.900 4.256 4.238 4.270 . 0 0 "[ . 1 . 2]" 1
259 1 18 ILE HA 1 18 ILE MD 3.790 2.460 5.780 4.011 3.917 4.307 . 0 0 "[ . 1 . 2]" 1
260 1 63 LEU HA 1 63 LEU QD 3.920 2.500 4.660 2.279 2.241 2.366 0.259 5 0 "[ . 1 . 2]" 1
261 1 56 VAL MG1 1 62 TRP HZ2 3.710 2.440 5.620 2.330 2.244 2.660 0.196 13 0 "[ . 1 . 2]" 1
262 1 56 VAL MG1 1 62 TRP HH2 3.680 2.430 5.560 2.906 2.445 4.259 . 0 0 "[ . 1 . 2]" 1
263 1 17 VAL MG1 1 56 VAL HA 3.820 2.470 5.850 3.432 2.459 4.167 0.011 15 0 "[ . 1 . 2]" 1
264 1 56 VAL MG2 1 62 TRP HZ2 3.760 2.450 5.730 3.586 3.132 3.975 . 0 0 "[ . 1 . 2]" 1
265 1 56 VAL HA 1 56 VAL MG2 3.320 2.300 4.840 3.269 3.256 3.279 . 0 0 "[ . 1 . 2]" 1
266 1 44 VAL HA 1 44 VAL MG2 3.110 2.230 4.420 2.461 2.403 2.525 . 0 0 "[ . 1 . 2]" 1
267 1 17 VAL MG2 1 57 ASN HB2 4.280 2.630 6.750 3.958 2.971 5.089 . 0 0 "[ . 1 . 2]" 1
268 1 27 ILE HA 1 46 ILE MG 3.800 2.470 5.800 3.055 2.737 3.354 . 0 0 "[ . 1 . 2]" 1
269 1 57 ASN HB2 1 60 ALA MB 3.550 2.380 5.300 4.665 4.202 5.192 . 0 0 "[ . 1 . 2]" 1
270 1 26 ILE MG 1 48 THR HB 3.640 2.410 5.480 4.442 3.967 4.844 . 0 0 "[ . 1 . 2]" 1
271 1 2 ILE HA 1 2 ILE MG 3.620 2.410 5.440 2.459 2.378 2.545 0.032 2 0 "[ . 1 . 2]" 1
272 1 30 ILE HA 1 30 ILE MG 3.550 2.380 5.300 2.531 2.483 2.575 . 0 0 "[ . 1 . 2]" 1
273 1 26 ILE MD 1 48 THR HB 3.490 2.360 5.180 3.280 2.760 3.963 . 0 0 "[ . 1 . 2]" 1
274 1 27 ILE HA 1 48 THR HA 3.220 2.270 4.650 2.669 2.287 3.119 . 0 0 "[ . 1 . 2]" 1
275 1 48 THR HA 1 48 THR MG 3.010 2.200 4.220 2.380 2.330 2.410 . 0 0 "[ . 1 . 2]" 1
276 1 47 TRP HA 1 53 VAL HA 3.430 2.340 5.060 2.855 2.693 3.026 . 0 0 "[ . 1 . 2]" 1
277 1 24 LEU HG 1 27 ILE HB 3.910 2.500 6.020 4.767 4.090 6.107 0.087 13 0 "[ . 1 . 2]" 1
278 1 26 ILE HB 1 48 THR HB 3.760 2.450 5.730 2.896 2.338 3.313 0.112 12 0 "[ . 1 . 2]" 1
279 1 28 ASP HB2 1 49 LYS HA 3.880 2.490 5.970 2.794 2.375 3.809 0.115 18 0 "[ . 1 . 2]" 1
280 1 44 VAL MG1 1 56 VAL HB 3.740 2.450 5.680 5.017 4.782 5.477 . 0 0 "[ . 1 . 2]" 1
281 1 50 MET HA 1 50 MET HG3 3.320 2.310 4.830 3.068 2.519 3.273 . 0 0 "[ . 1 . 2]" 1
282 1 42 THR MG 1 58 PRO HB3 3.810 2.470 5.820 3.314 2.380 4.912 0.090 3 0 "[ . 1 . 2]" 1
283 1 44 VAL MG2 1 58 PRO HB3 3.700 2.430 5.600 2.701 2.275 3.400 0.155 1 0 "[ . 1 . 2]" 1
284 1 44 VAL MG2 1 58 PRO HG3 3.580 2.390 5.360 3.777 2.320 4.674 0.070 13 0 "[ . 1 . 2]" 1
285 1 44 VAL MG2 1 58 PRO HG2 3.790 2.460 5.780 4.612 3.885 5.451 . 0 0 "[ . 1 . 2]" 1
286 1 18 ILE HG12 1 18 ILE MG 3.300 2.300 4.800 2.440 2.373 2.484 . 0 0 "[ . 1 . 2]" 1
287 1 62 TRP HZ3 1 66 LEU MD1 3.680 2.430 5.560 3.160 2.270 4.664 0.160 7 0 "[ . 1 . 2]" 1
288 1 66 LEU HA 1 66 LEU MD1 3.610 2.400 5.430 3.199 2.248 3.963 0.152 8 0 "[ . 1 . 2]" 1
289 1 24 LEU HA 1 24 LEU MD2 3.570 2.390 5.340 3.685 2.265 3.895 0.125 13 0 "[ . 1 . 2]" 1
290 1 33 THR HA 1 33 THR MG 3.430 2.340 5.060 2.464 2.337 3.263 0.003 20 0 "[ . 1 . 2]" 1
291 1 27 ILE HA 1 48 THR MG 3.800 2.470 5.790 2.888 2.510 3.338 . 0 0 "[ . 1 . 2]" 1
292 1 44 VAL MG1 1 46 ILE HA 3.800 2.470 5.790 4.306 3.926 4.747 . 0 0 "[ . 1 . 2]" 1
293 1 50 MET HA 1 50 MET HG2 3.320 2.310 4.830 2.792 2.596 3.788 . 0 0 "[ . 1 . 2]" 1
294 1 44 VAL MG2 1 58 PRO HA 3.240 2.280 4.680 2.513 2.177 3.170 0.103 16 0 "[ . 1 . 2]" 1
295 1 58 PRO HA 1 63 LEU QD 3.410 2.340 5.020 2.313 2.197 2.720 0.143 10 0 "[ . 1 . 2]" 1
296 1 27 ILE HA 1 27 ILE HG12 3.640 2.410 5.480 2.550 2.469 2.638 . 0 0 "[ . 1 . 2]" 1
297 1 42 THR HA 1 42 THR MG 3.210 2.270 4.620 2.376 2.319 2.453 . 0 0 "[ . 1 . 2]" 1
298 1 44 VAL HA 1 44 VAL MG1 3.360 2.320 4.920 2.439 2.391 2.516 . 0 0 "[ . 1 . 2]" 1
299 1 34 PRO HA 1 42 THR HA 3.550 2.380 5.310 3.166 2.400 4.259 . 0 0 "[ . 1 . 2]" 1
300 1 34 PRO HA 1 42 THR MG 3.570 2.390 5.340 2.640 2.328 3.202 0.062 6 0 "[ . 1 . 2]" 1
301 1 32 VAL HA 1 32 VAL MG1 3.200 2.260 4.600 2.388 2.307 2.471 . 0 0 "[ . 1 . 2]" 1
302 1 20 THR HA 1 20 THR MG 2.990 2.190 4.180 2.365 2.320 2.459 . 0 0 "[ . 1 . 2]" 1
303 1 45 VAL MG1 1 53 VAL HA 3.880 2.500 5.960 3.834 3.536 4.210 . 0 0 "[ . 1 . 2]" 1
304 1 45 VAL HA 1 45 VAL MG2 3.290 2.290 4.780 2.527 2.454 2.598 . 0 0 "[ . 1 . 2]" 1
305 1 45 VAL HA 1 45 VAL MG1 3.510 2.370 5.220 2.414 2.355 2.486 0.015 20 0 "[ . 1 . 2]" 1
306 1 26 ILE HA 1 26 ILE MG 2.950 2.180 4.100 2.429 2.376 2.466 . 0 0 "[ . 1 . 2]" 1
307 1 54 ILE HA 1 54 ILE HG12 3.430 2.340 5.070 2.641 2.545 2.704 . 0 0 "[ . 1 . 2]" 1
308 1 54 ILE HA 1 54 ILE MG 3.130 2.250 4.460 2.462 2.392 2.512 . 0 0 "[ . 1 . 2]" 1
309 1 54 ILE HA 1 54 ILE MD 3.820 2.470 5.850 3.923 3.861 3.960 . 0 0 "[ . 1 . 2]" 1
310 1 18 ILE HA 1 18 ILE MG 3.080 2.220 4.360 2.370 2.292 2.439 . 0 0 "[ . 1 . 2]" 1
311 1 17 VAL HA 1 55 CYS HB2 3.830 2.470 5.860 3.387 2.413 4.487 0.057 13 0 "[ . 1 . 2]" 1
312 1 17 VAL HA 1 55 CYS HB3 3.830 2.470 5.860 3.741 2.474 5.084 . 0 0 "[ . 1 . 2]" 1
313 1 56 VAL HA 1 56 VAL MG1 3.110 2.240 4.410 2.433 2.370 2.515 . 0 0 "[ . 1 . 2]" 1
314 1 64 GLN HA 1 67 LEU QD 3.550 2.380 5.300 2.413 2.315 2.620 0.065 18 0 "[ . 1 . 2]" 1
315 1 28 ASP HB3 1 49 LYS HA 3.880 2.490 5.970 3.783 3.241 4.294 . 0 0 "[ . 1 . 2]" 1
316 1 49 LYS HA 1 49 LYS HG2 3.610 2.400 5.430 2.981 2.481 3.894 . 0 0 "[ . 1 . 2]" 1
317 1 49 LYS HA 1 49 LYS HG3 3.610 2.400 5.430 3.380 3.031 3.842 . 0 0 "[ . 1 . 2]" 1
318 1 66 LEU HA 1 69 HIS HB2 3.950 2.510 6.100 3.133 2.442 4.508 0.068 13 0 "[ . 1 . 2]" 1
319 1 24 LEU HA 1 27 ILE HB 3.840 2.480 5.880 2.720 2.421 3.248 0.059 15 0 "[ . 1 . 2]" 1
320 1 24 LEU HA 1 27 ILE MD 2.990 2.190 4.180 2.193 2.129 2.306 0.061 18 0 "[ . 1 . 2]" 1
321 1 67 LEU HA 1 67 LEU QD 3.070 2.710 4.340 2.137 2.108 2.160 0.602 18 20 [******-**********+**] 1
322 1 28 ASP HA 1 49 LYS HA 3.940 2.510 6.080 5.106 4.559 6.194 0.114 11 0 "[ . 1 . 2]" 1
323 1 52 LYS HA 1 52 LYS HG3 3.580 2.390 5.360 2.501 2.437 2.580 . 0 0 "[ . 1 . 2]" 1
324 1 57 ASN HA 1 58 PRO HD2 3.180 2.260 4.560 2.388 2.201 2.674 0.059 9 0 "[ . 1 . 2]" 1
325 1 57 ASN HA 1 58 PRO HD3 3.180 2.260 4.560 2.487 2.128 2.648 0.132 13 0 "[ . 1 . 2]" 1
326 1 4 GLU HB2 1 31 GLN HA 3.960 2.520 6.120 2.475 2.290 3.796 0.230 6 0 "[ . 1 . 2]" 1
327 1 18 ILE MG 1 20 THR HB 3.740 2.450 5.680 3.927 2.449 5.570 0.001 8 0 "[ . 1 . 2]" 1
328 1 17 VAL HB 1 56 VAL HA 3.770 2.460 5.740 3.307 2.379 5.311 0.081 3 0 "[ . 1 . 2]" 1
329 1 50 MET HA 1 50 MET ME 3.850 2.480 5.900 4.461 4.215 4.724 . 0 0 "[ . 1 . 2]" 1
330 1 26 ILE HB 1 26 ILE MD 3.230 2.270 4.660 2.473 2.440 2.510 . 0 0 "[ . 1 . 2]" 1
331 1 27 ILE HB 1 27 ILE MD 3.320 2.300 4.840 2.474 2.415 2.517 . 0 0 "[ . 1 . 2]" 1
332 1 54 ILE HB 1 54 ILE MD 3.070 2.220 4.350 2.479 2.444 2.538 . 0 0 "[ . 1 . 2]" 1
333 1 18 ILE HB 1 18 ILE MD 3.170 2.250 4.540 2.477 2.434 2.533 . 0 0 "[ . 1 . 2]" 1
334 1 54 ILE MD 1 54 ILE MG 2.780 2.130 3.750 2.080 2.059 2.104 0.071 9 0 "[ . 1 . 2]" 1
335 1 67 LEU HB3 1 67 LEU QD 3.420 2.340 5.040 2.187 2.174 2.209 0.166 6 0 "[ . 1 . 2]" 1
336 1 26 ILE MD 1 48 THR MG 2.820 2.140 3.840 2.550 2.263 2.871 . 0 0 "[ . 1 . 2]" 1
337 1 48 THR MG 1 54 ILE MD 2.950 2.180 4.100 2.334 2.137 2.955 0.043 19 0 "[ . 1 . 2]" 1
338 1 44 VAL MG1 1 56 VAL MG1 3.380 2.320 4.960 4.489 4.242 4.792 . 0 0 "[ . 1 . 2]" 1
339 1 63 LEU HG 1 67 LEU QD 3.410 2.340 5.020 2.320 2.217 2.440 0.123 8 0 "[ . 1 . 2]" 1
340 1 63 LEU HB3 1 63 LEU QD 3.620 2.410 5.440 2.252 2.221 2.297 0.189 18 0 "[ . 1 . 2]" 1
341 1 60 ALA MB 1 63 LEU HB3 3.050 2.210 4.300 2.198 2.125 2.309 0.085 13 0 "[ . 1 . 2]" 1
342 1 27 ILE HG13 1 46 ILE MG 3.720 2.440 5.640 3.884 3.657 4.200 . 0 0 "[ . 1 . 2]" 1
343 1 18 ILE HG12 1 54 ILE MG 3.900 2.500 6.000 4.416 2.914 5.298 . 0 0 "[ . 1 . 2]" 1
344 1 30 ILE MG 1 63 LEU QD 3.720 2.440 5.640 2.661 2.318 3.057 0.122 16 0 "[ . 1 . 2]" 1
345 1 46 ILE HB 1 46 ILE MD 3.520 2.370 5.240 2.502 2.463 2.546 . 0 0 "[ . 1 . 2]" 1
346 1 30 ILE MD 1 66 LEU MD1 3.470 2.350 5.140 3.037 2.235 4.507 0.115 18 0 "[ . 1 . 2]" 1
347 1 18 ILE HB 1 54 ILE MG 3.600 2.400 5.400 2.827 2.248 4.375 0.152 17 0 "[ . 1 . 2]" 1
348 1 26 ILE MD 1 48 THR CB 3.700 2.430 5.610 3.798 3.292 4.302 . 0 0 "[ . 1 . 2]" 1
349 1 26 ILE CA 1 26 ILE MD 3.510 2.370 5.220 3.682 3.665 3.699 . 0 0 "[ . 1 . 2]" 1
350 1 27 ILE CA 1 30 ILE MD 4.070 2.560 6.340 5.213 4.967 5.451 . 0 0 "[ . 1 . 2]" 1
351 1 30 ILE CA 1 30 ILE MD 3.830 2.470 5.860 3.641 2.977 3.696 . 0 0 "[ . 1 . 2]" 1
352 1 30 ILE MD 1 67 LEU CD2 3.710 2.440 5.620 4.185 3.597 5.091 . 0 0 "[ . 1 . 2]" 1
353 1 30 ILE CG2 1 30 ILE MD 3.020 2.200 4.240 2.646 2.577 3.576 . 0 0 "[ . 1 . 2]" 1
354 1 27 ILE CB 1 30 ILE MD 4.060 2.560 6.320 4.051 3.855 4.209 . 0 0 "[ . 1 . 2]" 1
355 1 27 ILE CA 1 27 ILE MD 3.670 2.420 5.540 3.664 3.628 3.686 . 0 0 "[ . 1 . 2]" 1
356 1 54 ILE CA 1 54 ILE MD 3.680 2.430 5.560 3.670 3.647 3.688 . 0 0 "[ . 1 . 2]" 1
357 1 54 ILE CG2 1 54 ILE MD 3.030 2.210 4.260 2.660 2.593 2.692 . 0 0 "[ . 1 . 2]" 1
358 1 46 ILE CD1 1 63 LEU QD 3.970 2.530 5.580 3.175 3.063 3.417 . 0 0 "[ . 1 . 2]" 1
359 1 63 LEU CA 1 63 LEU QD 3.830 2.470 5.220 2.683 2.660 2.705 . 0 0 "[ . 1 . 2]" 1
360 1 63 LEU QD 1 67 LEU CG 3.530 2.380 5.190 3.386 3.223 3.478 . 0 0 "[ . 1 . 2]" 1
361 1 44 VAL CG2 1 63 LEU QD 3.150 2.250 4.500 3.131 2.971 3.316 . 0 0 "[ . 1 . 2]" 1
362 1 60 ALA CB 1 63 LEU QD 4.090 2.580 6.380 3.414 3.288 3.587 . 0 0 "[ . 1 . 2]" 1
363 1 30 ILE CG2 1 63 LEU QD 4.070 2.560 6.340 3.471 3.046 3.931 . 0 0 "[ . 1 . 2]" 1
364 1 56 VAL MG1 1 63 LEU CB 4.150 2.590 6.500 5.419 5.189 5.636 . 0 0 "[ . 1 . 2]" 1
365 1 46 ILE CD1 1 56 VAL MG1 3.500 2.370 5.200 3.276 2.918 3.745 . 0 0 "[ . 1 . 2]" 1
366 1 16 GLY CA 1 17 VAL MG1 4.230 2.610 6.660 4.143 3.763 5.520 . 0 0 "[ . 1 . 2]" 1
367 1 45 VAL MG1 1 53 VAL CG1 3.380 2.320 4.960 2.915 2.775 3.005 . 0 0 "[ . 1 . 2]" 1
368 1 56 VAL MG2 1 63 LEU CA 4.070 2.560 6.340 5.127 4.868 5.368 . 0 0 "[ . 1 . 2]" 1
369 1 56 VAL MG2 1 63 LEU CB 4.230 2.610 6.660 4.042 3.828 4.268 . 0 0 "[ . 1 . 2]" 1
370 1 44 VAL MG2 1 58 PRO CG 3.410 2.330 5.020 3.749 3.062 4.580 . 0 0 "[ . 1 . 2]" 1
371 1 17 VAL MG2 1 57 ASN CA 3.660 2.420 5.520 4.094 3.187 5.024 . 0 0 "[ . 1 . 2]" 1
372 1 16 GLY CA 1 17 VAL MG2 4.230 2.610 6.660 4.139 3.614 4.438 . 0 0 "[ . 1 . 2]" 1
373 1 27 ILE CA 1 46 ILE MG 3.760 2.450 5.730 3.697 3.391 3.983 . 0 0 "[ . 1 . 2]" 1
374 1 18 ILE CD1 1 18 ILE MG 2.910 2.170 4.020 2.627 2.602 2.673 . 0 0 "[ . 1 . 2]" 1
375 1 58 PRO CA 1 60 ALA MB 4.000 2.540 6.200 4.579 4.348 4.772 . 0 0 "[ . 1 . 2]" 1
376 1 60 ALA MB 1 63 LEU CB 3.660 2.420 5.520 2.694 2.615 2.859 . 0 0 "[ . 1 . 2]" 1
377 1 60 ALA MB 1 63 LEU CD2 3.940 2.510 6.080 3.213 3.073 3.406 . 0 0 "[ . 1 . 2]" 1
378 1 18 ILE CB 1 54 ILE MG 4.040 2.540 6.280 3.521 3.043 4.283 . 0 0 "[ . 1 . 2]" 1
379 1 54 ILE CD1 1 54 ILE MG 2.890 2.160 3.990 2.636 2.578 2.682 . 0 0 "[ . 1 . 2]" 1
380 1 2 ILE CD1 1 2 ILE MG 3.240 2.280 4.680 2.957 2.566 3.619 . 0 0 "[ . 1 . 2]" 1
381 1 30 ILE MG 1 67 LEU CD2 3.830 2.470 5.860 3.181 2.683 4.036 . 0 0 "[ . 1 . 2]" 1
382 1 26 ILE MG 1 48 THR CB 3.770 2.460 5.740 5.268 4.838 5.633 . 0 0 "[ . 1 . 2]" 1
383 1 26 ILE CD1 1 26 ILE MG 2.920 2.170 4.040 2.621 2.582 2.663 . 0 0 "[ . 1 . 2]" 1
384 1 27 ILE MG 1 30 ILE CG1 3.210 2.270 4.620 2.880 2.767 3.077 . 0 0 "[ . 1 . 2]" 1
385 1 18 ILE CG2 1 20 THR MG 3.690 2.430 5.580 2.989 2.637 4.544 . 0 0 "[ . 1 . 2]" 1
386 1 34 PRO CA 1 42 THR MG 3.840 2.480 5.880 3.522 3.101 4.114 . 0 0 "[ . 1 . 2]" 1
387 1 34 PRO CB 1 42 THR MG 4.100 2.560 6.400 4.361 3.727 5.067 . 0 0 "[ . 1 . 2]" 1
388 1 27 ILE CA 1 48 THR MG 3.960 2.520 6.120 3.713 3.366 4.123 . 0 0 "[ . 1 . 2]" 1
389 1 48 THR MG 1 52 LYS CB 3.480 2.360 5.160 4.010 3.725 4.302 . 0 0 "[ . 1 . 2]" 1
390 1 48 THR MG 1 54 ILE CD1 2.910 2.170 4.020 3.106 2.839 3.820 . 0 0 "[ . 1 . 2]" 1
391 1 44 VAL MG1 1 58 PRO CA 4.120 2.570 6.450 5.198 4.924 6.000 . 0 0 "[ . 1 . 2]" 1
392 1 44 VAL MG1 1 56 VAL CB 3.740 2.450 5.680 4.571 4.347 4.971 . 0 0 "[ . 1 . 2]" 1
393 1 44 VAL MG1 1 63 LEU CD2 3.390 2.330 4.980 3.316 3.119 3.694 . 0 0 "[ . 1 . 2]" 1
394 1 30 ILE CG2 1 44 VAL MG1 3.250 2.290 4.700 2.796 2.732 2.890 . 0 0 "[ . 1 . 2]" 1
395 1 44 VAL MG1 1 46 ILE CD1 3.550 2.380 5.310 3.886 3.512 4.134 . 0 0 "[ . 1 . 2]" 1
396 1 67 LEU CA 1 67 LEU QD 3.230 2.270 4.660 2.607 2.586 2.634 . 0 0 "[ . 1 . 2]" 1
397 1 30 ILE CG2 1 67 LEU QD 3.610 2.400 5.430 3.247 2.740 4.045 . 0 0 "[ . 1 . 2]" 1
398 1 30 ILE CD1 1 67 LEU QD 3.730 2.440 5.660 4.094 3.520 4.761 . 0 0 "[ . 1 . 2]" 1
399 1 64 GLN CA 1 67 LEU QD 3.810 2.470 5.820 3.330 3.246 3.531 . 0 0 "[ . 1 . 2]" 1
400 1 44 VAL CG2 1 67 LEU QD 3.380 2.320 4.960 3.956 3.254 4.480 . 0 0 "[ . 1 . 2]" 1
401 1 46 ILE CD1 1 56 VAL MG2 3.280 2.300 4.760 2.860 2.757 2.953 . 0 0 "[ . 1 . 2]" 1
402 1 2 ILE CG2 1 2 ILE MD 3.450 2.350 5.100 2.976 2.585 3.647 . 0 0 "[ . 1 . 2]" 1
403 1 18 ILE MD 1 20 THR CB 3.990 2.530 6.180 5.197 3.818 5.645 . 0 0 "[ . 1 . 2]" 1
404 1 18 ILE MG 1 20 THR CB 4.300 2.630 6.810 3.160 2.838 4.894 . 0 0 "[ . 1 . 2]" 1
405 1 21 VAL MG1 1 22 VAL CA 4.110 2.570 6.420 4.087 3.726 4.642 . 0 0 "[ . 1 . 2]" 1
406 1 18 ILE CD1 1 54 ILE MG 2.840 2.150 3.880 3.100 2.636 3.858 . 0 0 "[ . 1 . 2]" 1
407 1 27 ILE CG2 1 30 ILE MD 3.570 2.390 5.340 2.976 2.820 3.298 . 0 0 "[ . 1 . 2]" 1
408 1 44 VAL MG1 1 63 LEU CD1 3.660 2.420 5.520 3.363 3.089 3.826 . 0 0 "[ . 1 . 2]" 1
409 1 30 ILE CG2 1 46 ILE MD 3.750 2.450 5.700 4.323 3.956 4.679 . 0 0 "[ . 1 . 2]" 1
410 1 46 ILE MD 1 56 VAL CG1 3.910 2.500 6.020 3.175 2.884 3.629 . 0 0 "[ . 1 . 2]" 1
411 1 56 VAL MG1 1 63 LEU CD2 4.120 2.570 6.450 5.165 4.672 5.417 . 0 0 "[ . 1 . 2]" 1
412 1 32 VAL CG1 1 67 LEU QD 3.860 2.480 5.920 3.670 2.870 5.273 . 0 0 "[ . 1 . 2]" 1
413 1 1 MET ME 1 66 LEU CD2 3.380 2.330 4.960 4.124 2.977 5.026 0.066 15 0 "[ . 1 . 2]" 1
414 1 50 MET CB 1 50 MET ME 3.940 2.510 6.080 2.824 2.668 3.794 . 0 0 "[ . 1 . 2]" 1
415 1 21 VAL MG2 1 22 VAL CA 4.110 2.570 6.420 4.819 3.530 5.553 . 0 0 "[ . 1 . 2]" 1
416 1 26 ILE MG 1 27 ILE CA 4.160 2.590 6.520 5.505 5.454 5.551 . 0 0 "[ . 1 . 2]" 1
417 1 3 LEU CD1 1 32 VAL MG1 4.140 2.580 6.480 3.732 2.743 5.806 . 0 0 "[ . 1 . 2]" 1
418 1 70 VAL H 1 71 GLN H 3.060 2.220 4.320 2.590 2.462 2.695 . 0 0 "[ . 1 . 2]" 1
419 1 10 LEU H 1 11 LYS H 3.860 2.480 5.920 3.587 2.216 4.547 0.264 19 0 "[ . 1 . 2]" 1
420 1 24 LEU H 1 26 ILE H 3.820 2.470 5.850 4.239 4.090 4.346 . 0 0 "[ . 1 . 2]" 1
421 1 4 GLU H 1 31 GLN H 4.220 2.600 6.640 4.566 4.450 4.753 . 0 0 "[ . 1 . 2]" 1
422 1 31 GLN H 1 32 VAL H 4.490 2.700 7.180 4.332 4.157 4.454 . 0 0 "[ . 1 . 2]" 1
423 1 38 GLY H 1 39 CYS H 3.210 2.270 4.620 2.900 2.448 3.956 . 0 0 "[ . 1 . 2]" 1
424 1 33 THR H 1 43 GLU H 3.670 2.420 5.540 3.560 3.140 3.938 . 0 0 "[ . 1 . 2]" 1
425 1 44 VAL H 1 45 VAL H 3.580 2.390 5.360 4.137 3.993 4.292 . 0 0 "[ . 1 . 2]" 1
426 1 31 GLN H 1 45 VAL H 3.490 2.360 5.190 3.385 2.921 3.809 . 0 0 "[ . 1 . 2]" 1
427 1 44 VAL H 1 56 VAL H 3.670 2.420 5.540 3.236 2.759 3.616 . 0 0 "[ . 1 . 2]" 1
428 1 68 ARG H 1 69 HIS H 3.160 2.260 4.520 2.485 2.334 2.677 . 0 0 "[ . 1 . 2]" 1
429 1 67 LEU H 1 68 ARG H 2.930 2.180 4.060 2.641 2.520 2.802 . 0 0 "[ . 1 . 2]" 1
430 1 27 ILE H 1 28 ASP H 3.910 2.510 6.020 4.477 4.359 4.620 . 0 0 "[ . 1 . 2]" 1
431 1 18 ILE H 1 55 CYS H 3.990 2.530 6.180 4.341 3.807 4.687 . 0 0 "[ . 1 . 2]" 1
432 1 69 HIS HB2 1 70 VAL H 4.000 2.530 6.200 3.719 2.710 4.259 . 0 0 "[ . 1 . 2]" 1
433 1 69 HIS HB3 1 70 VAL H 4.000 2.530 6.200 3.065 2.535 3.889 . 0 0 "[ . 1 . 2]" 1
434 1 70 VAL H 1 70 VAL HB 3.310 2.310 4.820 3.701 3.665 3.728 . 0 0 "[ . 1 . 2]" 1
435 1 3 LEU H 1 3 LEU HG 4.570 2.720 7.350 4.476 4.428 4.531 . 0 0 "[ . 1 . 2]" 1
436 1 4 GLU HG2 1 5 ALA H 4.570 2.720 7.350 4.816 4.261 5.175 . 0 0 "[ . 1 . 2]" 1
437 1 4 GLU HG3 1 5 ALA H 4.570 2.720 7.350 4.962 3.045 5.662 . 0 0 "[ . 1 . 2]" 1
438 1 4 GLU H 1 4 GLU HG2 4.570 2.720 7.350 3.490 2.522 4.857 0.198 18 0 "[ . 1 . 2]" 1
439 1 4 GLU H 1 4 GLU HG3 4.570 2.720 7.350 3.506 2.561 4.567 0.159 13 0 "[ . 1 . 2]" 1
440 1 5 ALA MB 1 6 HIS H 3.810 2.470 5.820 3.157 2.705 3.438 . 0 0 "[ . 1 . 2]" 1
441 1 10 LEU H 1 10 LEU MD1 4.340 2.650 6.880 4.314 3.483 5.008 . 0 0 "[ . 1 . 2]" 1
442 1 10 LEU H 1 10 LEU MD2 4.340 2.650 6.880 3.711 2.374 4.465 0.276 17 0 "[ . 1 . 2]" 1
443 1 60 ALA MB 1 62 TRP H 3.700 2.430 5.600 3.492 3.261 3.640 . 0 0 "[ . 1 . 2]" 1
444 1 8 THR HB 1 9 ASN H 3.940 2.520 6.080 3.640 2.667 4.471 . 0 0 "[ . 1 . 2]" 1
445 1 8 THR MG 1 9 ASN H 4.020 2.540 6.240 3.702 2.369 4.276 0.171 6 0 "[ . 1 . 2]" 1
446 1 11 LYS H 1 11 LYS HG2 3.690 2.430 5.580 3.150 2.263 4.420 0.167 15 0 "[ . 1 . 2]" 1
447 1 11 LYS H 1 11 LYS HG3 3.690 2.430 5.580 3.212 2.297 4.506 0.133 11 0 "[ . 1 . 2]" 1
448 1 11 LYS HB2 1 12 CYS H 3.970 2.520 6.140 4.105 2.999 4.547 . 0 0 "[ . 1 . 2]" 1
449 1 11 LYS HB3 1 12 CYS H 3.970 2.520 6.140 4.000 3.262 4.669 . 0 0 "[ . 1 . 2]" 1
450 1 11 LYS HG2 1 12 CYS H 4.570 2.720 7.350 4.961 4.327 5.705 . 0 0 "[ . 1 . 2]" 1
451 1 11 LYS HG3 1 12 CYS H 4.570 2.720 7.350 4.986 3.957 5.893 . 0 0 "[ . 1 . 2]" 1
452 1 13 ARG H 1 13 ARG HG2 4.100 2.570 6.400 3.616 2.386 4.548 0.184 17 0 "[ . 1 . 2]" 1
453 1 13 ARG H 1 13 ARG HG3 4.100 2.570 6.400 3.421 2.479 4.754 0.091 9 0 "[ . 1 . 2]" 1
454 1 13 ARG HG2 1 14 CYS H 4.570 2.720 7.350 4.754 3.680 5.582 . 0 0 "[ . 1 . 2]" 1
455 1 13 ARG HG3 1 14 CYS H 4.570 2.720 7.350 5.127 3.906 6.000 . 0 0 "[ . 1 . 2]" 1
456 1 18 ILE H 1 56 VAL MG1 3.180 2.260 4.560 3.371 2.774 4.016 . 0 0 "[ . 1 . 2]" 1
457 1 18 ILE HG12 1 20 THR H 4.490 2.700 7.170 5.537 4.842 5.925 . 0 0 "[ . 1 . 2]" 1
458 1 20 THR HA 1 21 VAL H 2.600 2.060 3.400 2.194 2.131 2.284 . 0 0 "[ . 1 . 2]" 1
459 1 22 VAL HA 1 23 GLY H 2.380 . 2.960 2.229 2.186 2.304 . 0 0 "[ . 1 . 2]" 1
460 1 23 GLY HA3 1 24 LEU H 2.740 2.110 3.690 3.177 3.027 3.290 . 0 0 "[ . 1 . 2]" 1
461 1 64 GLN HA 1 64 GLN QE 3.710 2.440 5.620 3.572 3.350 4.131 . 0 0 "[ . 1 . 2]" 1
462 1 24 LEU HA 1 26 ILE H 3.540 2.380 5.280 4.143 3.877 4.369 . 0 0 "[ . 1 . 2]" 1
463 1 26 ILE H 1 27 ILE HG13 3.310 2.310 4.820 3.865 3.728 3.977 . 0 0 "[ . 1 . 2]" 1
464 1 64 GLN QE 1 67 LEU HG 4.180 2.600 6.560 4.957 4.476 6.355 . 0 0 "[ . 1 . 2]" 1
465 1 63 LEU QD 1 64 GLN QE 4.260 2.620 6.720 4.114 2.776 6.733 0.013 2 0 "[ . 1 . 2]" 1
466 1 24 LEU HG 1 27 ILE H 4.470 2.690 7.140 5.963 5.574 7.005 . 0 0 "[ . 1 . 2]" 1
467 1 27 ILE H 1 27 ILE MD 3.170 2.250 4.540 3.729 3.612 3.834 . 0 0 "[ . 1 . 2]" 1
468 1 28 ASP H 1 48 THR HA 3.200 2.270 4.590 2.390 2.183 2.843 0.087 10 0 "[ . 1 . 2]" 1
469 1 30 ILE H 1 30 ILE HB 3.350 2.310 4.900 2.694 2.523 2.828 . 0 0 "[ . 1 . 2]" 1
470 1 30 ILE H 1 30 ILE MD 3.880 2.490 5.970 4.169 2.364 4.435 0.126 3 0 "[ . 1 . 2]" 1
471 1 30 ILE MG 1 31 GLN H 3.160 2.250 4.520 3.151 2.487 3.341 . 0 0 "[ . 1 . 2]" 1
472 1 31 GLN HG3 1 32 VAL H 3.320 2.310 4.830 3.258 2.728 4.039 . 0 0 "[ . 1 . 2]" 1
473 1 33 THR H 1 34 PRO HD2 4.570 2.720 7.350 4.845 4.099 5.193 . 0 0 "[ . 1 . 2]" 1
474 1 33 THR H 1 34 PRO HD3 4.570 2.720 7.350 3.994 3.230 4.875 . 0 0 "[ . 1 . 2]" 1
475 1 33 THR H 1 33 THR MG 3.680 2.430 5.560 3.400 2.382 3.989 0.048 9 0 "[ . 1 . 2]" 1
476 1 37 ASN HB2 1 38 GLY H 4.100 2.570 6.400 4.050 3.303 4.665 . 0 0 "[ . 1 . 2]" 1
477 1 37 ASN HB3 1 38 GLY H 4.100 2.570 6.400 3.581 2.395 4.546 0.175 5 0 "[ . 1 . 2]" 1
478 1 41 LYS H 1 42 THR HA 4.480 2.690 7.160 5.021 4.748 5.278 . 0 0 "[ . 1 . 2]" 1
479 1 40 PRO HG3 1 41 LYS H 3.610 2.400 5.420 4.235 3.842 4.608 . 0 0 "[ . 1 . 2]" 1
480 1 43 GLU H 1 43 GLU HB3 3.590 2.400 5.370 3.694 2.960 3.934 . 0 0 "[ . 1 . 2]" 1
481 1 42 THR MG 1 43 GLU H 3.090 2.230 4.380 3.102 2.649 4.117 . 0 0 "[ . 1 . 2]" 1
482 1 43 GLU H 1 44 VAL MG2 3.540 2.380 5.280 4.260 3.914 4.509 . 0 0 "[ . 1 . 2]" 1
483 1 42 THR MG 1 44 VAL H 4.340 2.650 6.880 5.226 3.707 6.984 0.104 18 0 "[ . 1 . 2]" 1
484 1 31 GLN HG2 1 45 VAL H 4.040 2.550 6.280 4.170 3.465 4.723 . 0 0 "[ . 1 . 2]" 1
485 1 45 VAL H 1 45 VAL MG2 2.880 2.160 3.960 2.354 2.291 2.411 . 0 0 "[ . 1 . 2]" 1
486 1 44 VAL MG1 1 45 VAL H 3.010 2.200 4.230 3.099 2.666 3.276 . 0 0 "[ . 1 . 2]" 1
487 1 46 ILE H 1 55 CYS HA 4.140 2.580 6.480 2.941 2.404 3.552 0.176 3 0 "[ . 1 . 2]" 1
488 1 46 ILE H 1 54 ILE HB 3.340 2.320 4.880 4.066 3.438 4.583 . 0 0 "[ . 1 . 2]" 1
489 1 47 TRP HE1 1 53 VAL MG1 3.510 2.370 5.220 3.442 2.807 4.039 . 0 0 "[ . 1 . 2]" 1
490 1 47 TRP HE1 1 53 VAL MG2 3.510 2.370 5.220 2.521 2.043 3.423 0.327 19 0 "[ . 1 . 2]" 1
491 1 45 VAL MG1 1 47 TRP HE1 3.350 2.310 4.900 3.864 3.669 4.032 . 0 0 "[ . 1 . 2]" 1
492 1 48 THR H 1 52 LYS HB2 3.480 2.360 5.160 4.013 3.506 4.428 . 0 0 "[ . 1 . 2]" 1
493 1 48 THR H 1 54 ILE HG13 4.220 2.600 6.640 4.521 4.016 5.043 . 0 0 "[ . 1 . 2]" 1
494 1 48 THR H 1 48 THR MG 2.790 2.130 3.780 2.548 2.427 2.808 . 0 0 "[ . 1 . 2]" 1
495 1 46 ILE MG 1 48 THR H 4.100 2.570 6.400 3.848 3.535 4.053 . 0 0 "[ . 1 . 2]" 1
496 1 48 THR H 1 54 ILE MD 4.570 2.720 7.350 4.639 3.957 5.066 . 0 0 "[ . 1 . 2]" 1
497 1 49 LYS H 1 49 LYS HE2 4.570 2.720 7.350 5.266 4.188 6.253 . 0 0 "[ . 1 . 2]" 1
498 1 49 LYS H 1 49 LYS HE3 4.570 2.720 7.350 5.540 4.341 6.274 . 0 0 "[ . 1 . 2]" 1
499 1 26 ILE HB 1 49 LYS H 3.500 2.370 5.200 3.325 2.810 4.444 . 0 0 "[ . 1 . 2]" 1
500 1 28 ASP HB3 1 49 LYS H 4.000 2.540 6.200 4.191 3.609 4.715 . 0 0 "[ . 1 . 2]" 1
501 1 26 ILE HB 1 50 MET H 3.740 2.450 5.680 4.106 3.604 4.487 . 0 0 "[ . 1 . 2]" 1
502 1 26 ILE MG 1 50 MET H 4.480 2.690 7.160 5.078 4.437 5.552 . 0 0 "[ . 1 . 2]" 1
503 1 26 ILE MD 1 50 MET H 4.570 2.720 7.350 4.941 4.369 5.607 . 0 0 "[ . 1 . 2]" 1
504 1 49 LYS HA 1 51 LYS H 3.350 2.310 4.900 3.446 3.238 3.611 . 0 0 "[ . 1 . 2]" 1
505 1 50 MET HB2 1 51 LYS H 3.390 2.330 4.980 3.583 3.429 3.818 . 0 0 "[ . 1 . 2]" 1
506 1 50 MET HB3 1 52 LYS H 4.420 2.670 7.040 4.104 3.753 4.743 . 0 0 "[ . 1 . 2]" 1
507 1 48 THR MG 1 52 LYS H 3.120 2.240 4.440 4.092 3.725 4.252 . 0 0 "[ . 1 . 2]" 1
508 1 26 ILE MD 1 52 LYS H 4.570 2.720 7.350 6.105 5.208 6.718 . 0 0 "[ . 1 . 2]" 1
509 1 52 LYS HB3 1 53 VAL H 3.080 2.220 4.360 3.382 3.022 3.719 . 0 0 "[ . 1 . 2]" 1
510 1 18 ILE HG13 1 55 CYS H 3.590 2.400 5.380 3.381 2.679 4.384 . 0 0 "[ . 1 . 2]" 1
511 1 56 VAL H 1 56 VAL MG2 2.890 2.160 3.990 2.325 2.186 2.405 . 0 0 "[ . 1 . 2]" 1
512 1 56 VAL MG2 1 57 ASN H 3.740 2.450 5.680 3.502 3.325 3.778 . 0 0 "[ . 1 . 2]" 1
513 1 59 ARG H 1 59 ARG HD2 4.430 2.680 7.050 4.483 2.619 5.436 0.061 13 0 "[ . 1 . 2]" 1
514 1 59 ARG H 1 59 ARG HD3 4.430 2.680 7.050 4.590 2.903 5.138 . 0 0 "[ . 1 . 2]" 1
515 1 58 PRO HG2 1 59 ARG H 3.120 2.240 4.440 2.954 2.360 4.330 . 0 0 "[ . 1 . 2]" 1
516 1 58 PRO HG3 1 59 ARG H 4.080 2.560 6.360 4.309 3.954 4.783 . 0 0 "[ . 1 . 2]" 1
517 1 44 VAL MG2 1 59 ARG H 4.430 2.680 7.060 5.100 4.689 5.907 . 0 0 "[ . 1 . 2]" 1
518 1 60 ALA H 1 63 LEU HB3 3.660 2.420 5.520 3.776 3.404 4.033 . 0 0 "[ . 1 . 2]" 1
519 1 60 ALA MB 1 62 TRP HE1 2.970 2.190 4.140 2.391 2.155 2.905 0.035 15 0 "[ . 1 . 2]" 1
520 1 63 LEU H 1 63 LEU QD 3.940 2.600 6.080 3.768 3.734 3.814 . 0 0 "[ . 1 . 2]" 1
521 1 61 LYS HA 1 64 GLN H 3.430 2.340 5.060 3.480 2.981 3.911 . 0 0 "[ . 1 . 2]" 1
522 1 64 GLN H 1 67 LEU QD 4.170 2.590 6.540 4.067 3.866 4.279 . 0 0 "[ . 1 . 2]" 1
523 1 63 LEU QD 1 64 GLN H 3.530 2.380 5.260 3.938 3.759 4.119 . 0 0 "[ . 1 . 2]" 1
524 1 65 ARG H 1 65 ARG HD2 4.570 2.720 7.350 4.418 2.633 5.079 0.087 5 0 "[ . 1 . 2]" 1
525 1 65 ARG H 1 65 ARG HD3 4.570 2.720 7.350 4.332 2.752 5.014 . 0 0 "[ . 1 . 2]" 1
526 1 64 GLN HA 1 66 LEU H 3.960 2.520 6.120 4.249 4.070 4.465 . 0 0 "[ . 1 . 2]" 1
527 1 63 LEU HA 1 66 LEU H 3.280 2.290 4.770 3.381 3.212 3.653 . 0 0 "[ . 1 . 2]" 1
528 1 66 LEU H 1 66 LEU HB2 3.410 2.340 5.020 2.461 2.298 2.667 0.042 14 0 "[ . 1 . 2]" 1
529 1 66 LEU H 1 66 LEU HB3 3.410 2.340 5.020 3.486 2.356 3.658 . 0 0 "[ . 1 . 2]" 1
530 1 66 LEU H 1 66 LEU HG 3.610 2.400 5.420 3.225 2.308 4.495 0.092 1 0 "[ . 1 . 2]" 1
531 1 67 LEU H 1 67 LEU HG 2.720 2.100 3.640 2.356 2.212 2.530 . 0 0 "[ . 1 . 2]" 1
532 1 65 ARG HA 1 68 ARG H 3.500 2.370 5.200 3.799 3.447 4.152 . 0 0 "[ . 1 . 2]" 1
533 1 68 ARG H 1 68 ARG HD2 4.570 2.720 7.350 4.992 4.447 6.054 . 0 0 "[ . 1 . 2]" 1
534 1 68 ARG H 1 68 ARG HD3 4.570 2.720 7.350 4.741 3.185 5.988 . 0 0 "[ . 1 . 2]" 1
535 1 68 ARG H 1 68 ARG HB2 3.070 2.220 4.350 2.600 2.270 3.702 . 0 0 "[ . 1 . 2]" 1
536 1 68 ARG H 1 68 ARG HB3 3.070 2.220 4.350 3.056 2.355 3.715 . 0 0 "[ . 1 . 2]" 1
537 1 67 LEU QD 1 68 ARG H 4.110 2.640 6.420 4.220 4.068 4.298 . 0 0 "[ . 1 . 2]" 1
538 1 65 ARG HA 1 69 HIS H 3.900 2.500 6.000 4.274 3.939 4.399 . 0 0 "[ . 1 . 2]" 1
539 1 67 LEU HA 1 69 HIS H 4.200 2.600 6.600 4.450 4.149 4.782 . 0 0 "[ . 1 . 2]" 1
540 1 70 VAL HB 1 71 GLN H 3.610 2.400 5.430 4.107 3.839 4.355 . 0 0 "[ . 1 . 2]" 1
541 1 39 CYS HA 1 41 LYS H 3.950 2.510 6.100 4.035 3.639 4.698 . 0 0 "[ . 1 . 2]" 1
542 1 42 THR H 1 42 THR HB 2.990 2.200 4.170 2.758 2.494 3.663 . 0 0 "[ . 1 . 2]" 1
543 1 47 TRP H 1 47 TRP HE3 3.280 2.290 4.770 2.328 2.194 2.553 0.096 5 0 "[ . 1 . 2]" 1
544 1 26 ILE MG 1 49 LYS H 4.190 2.590 6.580 4.606 4.124 5.460 . 0 0 "[ . 1 . 2]" 1
545 1 26 ILE MD 1 49 LYS H 4.510 2.700 7.230 4.772 4.334 5.672 . 0 0 "[ . 1 . 2]" 1
546 1 47 TRP HA 1 54 ILE H 3.350 2.310 4.900 3.515 3.117 3.967 . 0 0 "[ . 1 . 2]" 1
547 1 46 ILE HB 1 54 ILE H 3.640 2.410 5.490 3.709 3.189 4.096 . 0 0 "[ . 1 . 2]" 1
548 1 62 TRP H 1 62 TRP HD1 3.230 2.270 4.660 2.354 2.154 2.554 0.116 18 0 "[ . 1 . 2]" 1
549 1 17 VAL HB 1 18 ILE H 3.110 2.240 4.410 3.237 2.921 4.223 . 0 0 "[ . 1 . 2]" 1
550 1 2 ILE MG 1 5 ALA H 4.570 2.720 7.350 5.844 4.990 6.308 . 0 0 "[ . 1 . 2]" 1
551 1 30 ILE MG 1 32 VAL H 4.000 2.540 6.200 3.990 3.563 4.258 . 0 0 "[ . 1 . 2]" 1
552 1 44 VAL HB 1 45 VAL H 3.960 2.520 6.120 4.376 4.197 4.451 . 0 0 "[ . 1 . 2]" 1
553 1 68 ARG HB2 1 69 HIS H 3.850 2.480 5.900 3.494 2.468 4.228 0.012 9 0 "[ . 1 . 2]" 1
554 1 68 ARG HB3 1 69 HIS H 3.850 2.480 5.900 3.360 2.451 4.178 0.029 17 0 "[ . 1 . 2]" 1
555 1 5 ALA MB 1 32 VAL H 4.120 2.570 6.450 4.609 4.233 5.124 . 0 0 "[ . 1 . 2]" 1
556 1 30 ILE HA 1 47 TRP H 3.130 2.240 4.470 3.767 3.308 4.051 . 0 0 "[ . 1 . 2]" 1
557 1 52 LYS HA 1 53 VAL H 2.600 2.060 3.400 2.123 2.083 2.179 . 0 0 "[ . 1 . 2]" 1
558 1 50 MET H 1 52 LYS HB2 4.000 2.540 6.200 4.832 4.300 5.155 . 0 0 "[ . 1 . 2]" 1
559 1 45 VAL MG2 1 46 ILE H 3.440 2.340 5.080 4.302 4.139 4.430 . 0 0 "[ . 1 . 2]" 1
560 1 46 ILE H 1 46 ILE MG 3.430 2.340 5.070 3.856 3.813 3.941 . 0 0 "[ . 1 . 2]" 1
561 1 31 GLN HE21 1 45 VAL MG2 4.100 2.560 6.400 5.262 3.305 6.317 . 0 0 "[ . 1 . 2]" 1
562 1 67 LEU QD 1 71 GLN HE21 4.120 2.570 6.450 5.488 4.168 7.401 0.951 17 2 "[ . - . + 2]" 1
563 1 25 ASN HD21 1 26 ILE MG 3.250 2.290 4.700 3.510 2.221 4.614 0.069 6 0 "[ . 1 . 2]" 1
564 1 57 ASN HD21 1 59 ARG HB3 3.720 2.440 5.640 3.964 2.587 5.233 . 0 0 "[ . 1 . 2]" 1
565 1 57 ASN HD21 1 60 ALA MB 3.940 2.510 6.080 3.207 2.514 4.234 . 0 0 "[ . 1 . 2]" 1
566 1 67 LEU QD 1 71 GLN HE22 4.120 2.570 6.450 5.176 3.990 7.075 0.625 17 1 "[ . 1 . + 2]" 1
567 1 25 ASN HD22 1 26 ILE MG 3.250 2.290 4.700 3.379 2.491 4.556 . 0 0 "[ . 1 . 2]" 1
568 1 7 TYR HD1 1 8 THR H 4.570 2.720 7.350 4.499 3.024 5.933 . 0 0 "[ . 1 . 2]" 1
569 1 7 TYR HD2 1 8 THR H 4.570 2.720 7.350 4.910 3.162 6.010 . 0 0 "[ . 1 . 2]" 1
570 1 8 THR H 1 8 THR MG 3.560 2.390 5.320 2.726 2.249 3.826 0.141 5 0 "[ . 1 . 2]" 1
571 1 54 ILE MG 1 55 CYS HA 4.020 2.540 6.240 3.861 3.576 4.063 . 0 0 "[ . 1 . 2]" 1
572 1 55 CYS HA 1 56 VAL MG2 3.990 2.530 6.180 3.660 3.396 3.890 . 0 0 "[ . 1 . 2]" 1
573 1 47 TRP HA 1 53 VAL MG1 4.360 2.650 6.920 4.274 3.945 4.666 . 0 0 "[ . 1 . 2]" 1
574 1 47 TRP HA 1 53 VAL MG2 4.360 2.650 6.920 3.899 3.317 4.409 . 0 0 "[ . 1 . 2]" 1
575 1 53 VAL HA 1 53 VAL MG2 3.360 2.320 4.920 2.515 2.477 2.577 . 0 0 "[ . 1 . 2]" 1
576 1 27 ILE MD 1 62 TRP HZ3 3.610 2.400 5.430 2.436 2.184 2.845 0.216 10 0 "[ . 1 . 2]" 1
577 1 26 ILE MD 1 27 ILE HA 4.570 2.720 7.350 4.949 4.744 5.110 . 0 0 "[ . 1 . 2]" 1
578 1 27 ILE HA 1 27 ILE MD 4.570 2.720 7.350 3.872 3.835 3.919 . 0 0 "[ . 1 . 2]" 1
579 1 78 THR HA 1 78 THR MG 3.320 2.310 4.830 2.382 2.339 2.436 . 0 0 "[ . 1 . 2]" 1
580 1 78 THR MG 1 79 PRO HD2 3.890 2.490 5.980 3.632 2.995 4.290 . 0 0 "[ . 1 . 2]" 1
581 1 78 THR MG 1 79 PRO HD3 3.890 2.490 5.980 4.143 3.726 4.583 . 0 0 "[ . 1 . 2]" 1
582 1 56 VAL MG2 1 62 TRP HH2 3.840 2.480 5.880 3.705 3.122 4.370 . 0 0 "[ . 1 . 2]" 1
583 1 17 VAL MG2 1 57 ASN HA 3.770 2.460 5.740 3.883 2.715 5.317 . 0 0 "[ . 1 . 2]" 1
584 1 81 ALA MB 1 82 PRO HD3 3.870 2.490 5.940 3.864 3.266 4.177 . 0 0 "[ . 1 . 2]" 1
585 1 60 ALA MB 1 62 TRP HD1 3.830 2.470 5.860 2.940 2.618 3.798 . 0 0 "[ . 1 . 2]" 1
586 1 27 ILE MG 1 28 ASP HA 4.030 2.550 6.260 3.905 3.568 4.220 . 0 0 "[ . 1 . 2]" 1
587 1 26 ILE MD 1 48 THR HA 4.040 2.550 6.280 4.858 4.398 5.307 . 0 0 "[ . 1 . 2]" 1
588 1 46 ILE MG 1 48 THR HA 4.380 2.660 6.960 3.651 3.469 3.843 . 0 0 "[ . 1 . 2]" 1
589 1 30 ILE HB 1 30 ILE MD 3.380 2.320 4.960 2.493 2.322 2.528 . 0 0 "[ . 1 . 2]" 1
590 1 46 ILE HB 1 54 ILE HB 3.430 2.340 5.060 2.662 2.286 3.111 0.054 15 0 "[ . 1 . 2]" 1
591 1 46 ILE HB 1 54 ILE MD 4.030 2.550 6.260 4.199 3.634 4.724 . 0 0 "[ . 1 . 2]" 1
592 1 56 VAL HB 1 57 ASN HA 3.880 2.500 5.960 4.791 4.706 4.902 . 0 0 "[ . 1 . 2]" 1
593 1 31 GLN HG2 1 45 VAL HB 4.060 2.560 6.320 4.070 3.488 4.760 . 0 0 "[ . 1 . 2]" 1
594 1 22 VAL HB 1 62 TRP HH2 3.860 2.490 5.910 2.788 2.308 3.349 0.182 10 0 "[ . 1 . 2]" 1
595 1 22 VAL HB 1 48 THR MG 4.360 2.650 6.920 4.530 4.326 4.845 . 0 0 "[ . 1 . 2]" 1
596 1 22 VAL HB 1 46 ILE MG 3.910 2.500 6.020 3.386 3.129 3.666 . 0 0 "[ . 1 . 2]" 1
597 1 42 THR HB 1 58 PRO HB3 4.210 2.600 6.620 4.956 3.801 6.869 0.249 16 0 "[ . 1 . 2]" 1
598 1 42 THR HB 1 58 PRO HB2 4.210 2.600 6.620 5.392 4.428 6.765 0.145 10 0 "[ . 1 . 2]" 1
599 1 40 PRO HB2 1 41 LYS HA 3.940 2.510 6.080 4.651 4.288 4.963 . 0 0 "[ . 1 . 2]" 1
600 1 50 MET HB3 1 50 MET ME 3.800 2.470 5.790 3.150 2.327 4.041 0.143 16 0 "[ . 1 . 2]" 1
601 1 65 ARG HA 1 68 ARG HB2 4.480 2.690 7.160 3.735 2.855 5.784 . 0 0 "[ . 1 . 2]" 1
602 1 65 ARG HA 1 68 ARG HB3 4.480 2.690 7.160 4.017 2.549 5.186 0.141 2 0 "[ . 1 . 2]" 1
603 1 17 VAL HA 1 18 ILE HG13 4.130 2.570 6.460 3.498 3.166 4.822 . 0 0 "[ . 1 . 2]" 1
604 1 26 ILE HG12 1 26 ILE MG 3.410 2.340 5.020 2.457 2.443 2.476 . 0 0 "[ . 1 . 2]" 1
605 1 54 ILE HG12 1 54 ILE MG 3.490 2.360 5.190 2.467 2.431 2.521 . 0 0 "[ . 1 . 2]" 1
606 1 58 PRO HA 1 67 LEU QD 4.220 2.600 6.640 3.399 2.708 4.033 . 0 0 "[ . 1 . 2]" 1
607 1 10 LEU HA 1 10 LEU MD1 3.840 2.480 5.880 3.977 3.846 4.212 . 0 0 "[ . 1 . 2]" 1
608 1 62 TRP HZ3 1 66 LEU MD2 3.680 2.430 5.560 3.557 2.256 4.957 0.174 9 0 "[ . 1 . 2]" 1
609 1 66 LEU HA 1 66 LEU MD2 3.610 2.400 5.430 2.898 2.189 4.026 0.211 7 0 "[ . 1 . 2]" 1
610 1 24 LEU HA 1 24 LEU MD1 3.570 2.390 5.340 2.783 2.302 3.955 0.088 5 0 "[ . 1 . 2]" 1
611 1 48 THR MG 1 52 LYS HA 4.100 2.560 6.400 5.332 5.181 5.565 . 0 0 "[ . 1 . 2]" 1
612 1 48 THR MG 1 53 VAL HA 4.410 2.670 7.020 4.945 4.371 5.458 . 0 0 "[ . 1 . 2]" 1
613 1 32 VAL HA 1 32 VAL MG2 3.200 2.260 4.600 3.085 2.439 3.301 . 0 0 "[ . 1 . 2]" 1
614 1 52 LYS HA 1 52 LYS HE2 4.510 2.700 7.220 4.868 3.875 5.349 . 0 0 "[ . 1 . 2]" 1
615 1 52 LYS HA 1 52 LYS HE3 4.510 2.700 7.220 4.973 4.112 5.308 . 0 0 "[ . 1 . 2]" 1
616 1 52 LYS HE2 1 52 LYS HG3 3.610 2.400 5.420 3.318 2.530 3.820 . 0 0 "[ . 1 . 2]" 1
617 1 52 LYS HE3 1 52 LYS HG3 3.610 2.400 5.420 3.211 2.507 3.793 . 0 0 "[ . 1 . 2]" 1
618 1 17 VAL MG1 1 57 ASN HB2 4.280 2.630 6.750 4.033 3.463 5.552 . 0 0 "[ . 1 . 2]" 1
619 1 10 LEU HA 1 10 LEU HG 3.430 2.340 5.070 3.072 2.555 3.879 . 0 0 "[ . 1 . 2]" 1
620 1 10 LEU HA 1 10 LEU MD2 3.840 2.480 5.880 2.852 2.266 3.749 0.214 19 0 "[ . 1 . 2]" 1
621 1 75 LEU HA 1 75 LEU HG 3.530 2.380 5.250 3.439 2.518 4.358 . 0 0 "[ . 1 . 2]" 1
622 1 59 ARG HA 1 59 ARG HD2 4.510 2.700 7.230 4.349 2.820 4.902 . 0 0 "[ . 1 . 2]" 1
623 1 59 ARG HA 1 59 ARG HD3 4.510 2.700 7.230 4.381 2.912 4.869 . 0 0 "[ . 1 . 2]" 1
624 1 81 ALA MB 1 82 PRO HD2 3.870 2.490 5.940 3.180 2.408 4.259 0.082 11 0 "[ . 1 . 2]" 1
625 1 27 ILE HA 1 27 ILE MG 3.380 2.330 4.960 2.508 2.435 2.569 . 0 0 "[ . 1 . 2]" 1
626 1 78 THR HB 1 79 PRO HA 4.240 2.610 6.690 5.161 5.016 5.309 . 0 0 "[ . 1 . 2]" 1
627 1 8 THR HA 1 8 THR MG 3.380 2.320 4.960 2.509 2.312 3.279 0.008 12 0 "[ . 1 . 2]" 1
628 1 53 VAL HA 1 53 VAL MG1 3.360 2.320 4.920 2.440 2.375 2.470 . 0 0 "[ . 1 . 2]" 1
629 1 30 ILE HA 1 46 ILE MG 4.240 2.610 6.690 3.609 3.186 4.022 . 0 0 "[ . 1 . 2]" 1
630 1 30 ILE HA 1 30 ILE MD 3.790 2.460 5.780 3.868 3.415 3.924 . 0 0 "[ . 1 . 2]" 1
631 1 26 ILE HA 1 49 LYS HE2 4.500 2.700 7.200 4.631 2.715 5.697 . 0 0 "[ . 1 . 2]" 1
632 1 26 ILE HA 1 49 LYS HE3 4.500 2.700 7.200 4.852 3.141 6.649 . 0 0 "[ . 1 . 2]" 1
633 1 26 ILE HA 1 49 LYS HB2 3.240 2.280 4.680 3.861 2.798 5.654 0.974 8 3 "[ * . + - . 2]" 1
634 1 61 LYS HA 1 61 LYS HD2 4.570 2.720 7.340 4.092 2.552 5.627 0.168 17 0 "[ . 1 . 2]" 1
635 1 61 LYS HA 1 61 LYS HD3 4.570 2.720 7.340 4.075 2.605 4.933 0.115 13 0 "[ . 1 . 2]" 1
636 1 78 THR HA 1 79 PRO HA 4.040 2.550 6.280 4.564 4.476 4.662 . 0 0 "[ . 1 . 2]" 1
637 1 78 THR HA 1 79 PRO HD2 3.040 2.210 4.280 2.471 2.143 2.834 0.067 2 0 "[ . 1 . 2]" 1
638 1 78 THR HA 1 79 PRO HD3 3.040 2.210 4.280 2.359 2.099 2.823 0.111 10 0 "[ . 1 . 2]" 1
639 1 17 VAL HA 1 18 ILE MG 4.530 2.710 7.260 5.387 4.046 5.622 . 0 0 "[ . 1 . 2]" 1
640 1 17 VAL HA 1 56 VAL MG1 4.570 2.720 7.350 4.667 4.057 5.374 . 0 0 "[ . 1 . 2]" 1
641 1 17 VAL HA 1 17 VAL MG1 3.270 2.290 4.740 2.381 2.307 2.500 . 0 0 "[ . 1 . 2]" 1
642 1 17 VAL HA 1 17 VAL MG2 3.270 2.290 4.740 3.159 2.474 3.289 . 0 0 "[ . 1 . 2]" 1
643 1 46 ILE HA 1 46 ILE MG 3.340 2.320 4.880 2.486 2.453 2.532 . 0 0 "[ . 1 . 2]" 1
644 1 17 VAL MG2 1 56 VAL HA 3.820 2.470 5.850 4.394 3.620 5.002 . 0 0 "[ . 1 . 2]" 1
645 1 64 GLN HA 1 67 LEU HG 3.600 2.400 5.400 3.066 2.921 3.301 . 0 0 "[ . 1 . 2]" 1
646 1 68 ARG HA 1 68 ARG HD2 4.570 2.720 7.350 4.317 2.346 4.954 0.374 2 0 "[ . 1 . 2]" 1
647 1 68 ARG HA 1 68 ARG HD3 4.570 2.720 7.350 4.153 2.380 5.003 0.340 11 0 "[ . 1 . 2]" 1
648 1 7 TYR HA 1 7 TYR HD1 3.970 2.530 6.140 3.620 2.428 4.602 0.102 15 0 "[ . 1 . 2]" 1
649 1 7 TYR HA 1 7 TYR HD2 4.160 2.580 6.520 3.547 2.471 4.505 0.109 7 0 "[ . 1 . 2]" 1
650 1 66 LEU HA 1 69 HIS HB3 3.950 2.510 6.100 3.027 2.397 4.335 0.113 16 0 "[ . 1 . 2]" 1
651 1 66 LEU HA 1 66 LEU HG 3.530 2.380 5.260 3.164 2.559 3.842 . 0 0 "[ . 1 . 2]" 1
652 1 62 TRP HE3 1 63 LEU HA 3.870 2.490 5.940 3.414 3.052 3.957 . 0 0 "[ . 1 . 2]" 1
653 1 63 LEU HA 1 66 LEU HG 4.570 2.720 7.350 3.828 2.752 5.408 . 0 0 "[ . 1 . 2]" 1
654 1 43 GLU HA 1 44 VAL MG2 3.840 2.480 5.880 3.607 3.309 3.908 . 0 0 "[ . 1 . 2]" 1
655 1 14 CYS HA 1 45 VAL MG2 3.760 2.450 5.720 4.426 2.707 5.749 0.029 10 0 "[ . 1 . 2]" 1
656 1 17 VAL HB 1 57 ASN HA 4.110 2.570 6.420 3.969 2.444 6.230 0.126 7 0 "[ . 1 . 2]" 1
657 1 57 ASN HA 1 58 PRO HG3 4.410 2.670 7.020 4.595 4.331 4.767 . 0 0 "[ . 1 . 2]" 1
658 1 17 VAL MG1 1 57 ASN HA 3.770 2.460 5.740 2.990 2.316 4.232 0.144 9 0 "[ . 1 . 2]" 1
659 1 81 ALA HA 1 82 PRO HD2 2.940 2.180 4.080 2.376 2.089 2.825 0.091 8 0 "[ . 1 . 2]" 1
660 1 81 ALA HA 1 82 PRO HD3 2.940 2.180 4.080 2.428 2.066 2.752 0.114 15 0 "[ . 1 . 2]" 1
661 1 42 THR HB 1 58 PRO HG2 4.420 2.670 7.040 4.132 2.661 4.999 0.009 5 0 "[ . 1 . 2]" 1
662 1 42 THR HB 1 58 PRO HG3 3.740 2.450 5.670 3.114 2.258 5.355 0.192 12 0 "[ . 1 . 2]" 1
663 1 39 CYS HA 1 40 PRO HD2 3.470 2.360 5.130 2.468 2.230 3.179 0.130 4 0 "[ . 1 . 2]" 1
664 1 39 CYS HA 1 40 PRO HD3 3.470 2.360 5.130 2.421 2.249 2.601 0.111 11 0 "[ . 1 . 2]" 1
665 1 22 VAL HB 1 27 ILE MD 3.760 2.450 5.720 2.321 2.181 2.619 0.269 11 0 "[ . 1 . 2]" 1
666 1 46 ILE MD 1 63 LEU QD 3.290 2.430 4.780 2.260 2.161 2.443 0.269 17 0 "[ . 1 . 2]" 1
667 1 44 VAL MG2 1 63 LEU QD 3.450 2.350 5.100 2.314 2.216 2.468 0.134 16 0 "[ . 1 . 2]" 1
668 1 56 VAL MG1 1 63 LEU QD 3.540 2.510 5.280 3.510 3.315 3.697 . 0 0 "[ . 1 . 2]" 1
669 1 44 VAL HB 1 56 VAL MG2 3.500 2.370 5.200 2.043 1.891 2.220 0.479 15 0 "[ . 1 . 2]" 1
670 1 46 ILE HB 1 56 VAL MG2 3.760 2.450 5.730 4.026 3.645 4.412 . 0 0 "[ . 1 . 2]" 1
671 1 46 ILE MG 1 48 THR MG 3.190 2.270 4.580 2.823 2.366 3.247 . 0 0 "[ . 1 . 2]" 1
672 1 18 ILE MD 1 18 ILE MG 2.760 2.120 3.720 2.071 2.035 2.103 0.085 15 0 "[ . 1 . 2]" 1
673 1 18 ILE HG13 1 54 ILE MG 3.530 2.380 5.260 3.574 2.291 4.372 0.089 14 0 "[ . 1 . 2]" 1
674 1 26 ILE MG 1 50 MET HB2 4.210 2.600 6.620 5.511 4.856 6.082 . 0 0 "[ . 1 . 2]" 1
675 1 26 ILE HG13 1 26 ILE MG 3.410 2.340 5.020 3.258 3.250 3.264 . 0 0 "[ . 1 . 2]" 1
676 1 67 LEU HB2 1 67 LEU QD 3.420 2.340 5.040 2.328 2.288 2.340 0.052 3 0 "[ . 1 . 2]" 1
677 1 66 LEU MD2 1 67 LEU QD 4.220 2.600 6.640 4.924 3.275 5.497 . 0 0 "[ . 1 . 2]" 1
678 1 48 THR MG 1 52 LYS HB3 3.250 2.290 4.700 4.001 3.459 4.333 . 0 0 "[ . 1 . 2]" 1
679 1 42 THR MG 1 58 PRO HB2 3.810 2.470 5.820 3.907 3.099 5.113 . 0 0 "[ . 1 . 2]" 1
680 1 26 ILE MG 1 50 MET ME 3.120 2.240 4.440 3.155 2.171 4.269 0.069 1 0 "[ . 1 . 2]" 1
681 1 1 MET ME 1 27 ILE MG 3.220 2.280 4.640 3.137 2.302 4.240 . 0 0 "[ . 1 . 2]" 1
682 1 1 MET ME 1 27 ILE MD 3.570 2.390 5.340 3.320 2.383 4.423 0.007 17 0 "[ . 1 . 2]" 1
683 1 66 LEU MD1 1 67 LEU QD 4.220 2.600 6.640 4.714 4.210 5.242 . 0 0 "[ . 1 . 2]" 1
684 1 30 ILE MD 1 67 LEU QD 3.430 2.340 5.070 3.198 2.703 3.932 . 0 0 "[ . 1 . 2]" 1
685 1 63 LEU QD 1 67 LEU QD 3.290 2.320 4.780 2.192 2.085 2.299 0.235 15 0 "[ . 1 . 2]" 1
686 1 44 VAL MG1 1 63 LEU QD 3.170 2.410 4.540 2.152 2.011 2.348 0.399 4 0 "[ . 1 . 2]" 1
687 1 30 ILE MD 1 66 LEU MD2 3.470 2.350 5.140 3.306 2.180 4.419 0.170 19 0 "[ . 1 . 2]" 1
688 1 63 LEU QD 1 66 LEU HG 4.480 2.690 7.160 4.093 3.180 5.357 . 0 0 "[ . 1 . 2]" 1
689 1 63 LEU QD 1 67 LEU HG 4.570 2.720 7.350 2.931 2.753 3.067 . 0 0 "[ . 1 . 2]" 1
690 1 56 VAL HB 1 63 LEU QD 4.570 2.720 7.350 3.241 2.521 3.662 0.199 17 0 "[ . 1 . 2]" 1
691 1 54 ILE MG 1 56 VAL MG1 3.070 2.220 4.350 2.276 2.040 2.718 0.180 20 0 "[ . 1 . 2]" 1
692 1 42 THR MG 1 58 PRO HG3 3.540 2.380 5.280 2.505 2.247 3.495 0.133 6 0 "[ . 1 . 2]" 1
693 1 56 VAL MG2 1 63 LEU QD 3.510 2.400 5.220 2.009 1.929 2.033 0.471 15 0 "[ . 1 . 2]" 1
694 1 44 VAL MG1 1 46 ILE MD 3.340 2.320 4.880 3.218 2.877 3.442 . 0 0 "[ . 1 . 2]" 1
695 1 3 LEU HG 1 5 ALA MB 4.070 2.560 6.340 4.280 3.505 5.134 . 0 0 "[ . 1 . 2]" 1
696 1 60 ALA MB 1 63 LEU QD 3.880 2.500 5.960 2.496 2.374 2.685 0.126 11 0 "[ . 1 . 2]" 1
697 1 27 ILE HG12 1 46 ILE MG 3.190 2.270 4.580 2.392 2.159 2.723 0.111 9 0 "[ . 1 . 2]" 1
698 1 30 ILE MG 1 46 ILE MD 3.410 2.330 5.020 3.407 3.057 3.721 . 0 0 "[ . 1 . 2]" 1
699 1 32 VAL HA 1 44 VAL MG1 3.740 2.450 5.670 3.008 2.666 3.386 . 0 0 "[ . 1 . 2]" 1
700 1 44 VAL MG2 1 58 PRO HB2 3.700 2.430 5.600 4.002 3.616 4.429 . 0 0 "[ . 1 . 2]" 1
701 1 4 GLU HB3 1 31 GLN HA 3.960 2.520 6.120 3.687 2.306 4.099 0.214 17 0 "[ . 1 . 2]" 1
702 1 30 ILE MG 1 46 ILE HB 4.120 2.570 6.450 5.313 5.138 5.675 . 0 0 "[ . 1 . 2]" 1
703 1 24 LEU HA 1 27 ILE HG13 3.470 2.360 5.130 2.797 2.513 3.162 . 0 0 "[ . 1 . 2]" 1
704 1 46 ILE HB 1 54 ILE MG 4.110 2.570 6.420 3.556 3.116 3.917 . 0 0 "[ . 1 . 2]" 1
705 1 30 ILE MD 1 46 ILE HA 3.800 2.470 5.800 4.879 4.406 5.207 . 0 0 "[ . 1 . 2]" 1
706 1 47 TRP CA 1 53 VAL MG1 4.540 2.710 7.280 4.917 4.597 5.283 . 0 0 "[ . 1 . 2]" 1
707 1 47 TRP CA 1 53 VAL MG2 4.540 2.710 7.280 4.642 4.118 5.086 . 0 0 "[ . 1 . 2]" 1
708 1 46 ILE MD 1 56 VAL CA 4.460 2.690 7.120 4.697 4.513 4.966 . 0 0 "[ . 1 . 2]" 1
709 1 46 ILE MD 1 63 LEU CA 4.280 2.630 6.750 5.334 5.079 5.590 . 0 0 "[ . 1 . 2]" 1
710 1 22 VAL CG1 1 46 ILE MD 3.030 2.210 4.260 4.271 3.795 4.809 0.549 14 1 "[ . 1 +. 2]" 1
711 1 46 ILE CG2 1 46 ILE MD 3.260 2.290 4.710 2.595 2.547 2.630 . 0 0 "[ . 1 . 2]" 1
712 1 22 VAL CB 1 26 ILE MD 4.100 2.570 6.400 4.193 3.804 4.615 . 0 0 "[ . 1 . 2]" 1
713 1 22 VAL CB 1 27 ILE MD 4.380 2.660 6.960 3.184 2.970 3.422 . 0 0 "[ . 1 . 2]" 1
714 1 22 VAL CG1 1 26 ILE MD 3.850 2.480 5.900 3.175 2.865 3.568 . 0 0 "[ . 1 . 2]" 1
715 1 22 VAL CG2 1 26 ILE MD 4.140 2.580 6.480 4.984 4.564 5.437 . 0 0 "[ . 1 . 2]" 1
716 1 26 ILE CG2 1 26 ILE MD 3.130 2.250 4.460 2.645 2.601 2.700 . 0 0 "[ . 1 . 2]" 1
717 1 27 ILE CG2 1 27 ILE MD 3.270 2.290 4.740 2.622 2.586 2.684 . 0 0 "[ . 1 . 2]" 1
718 1 30 ILE MD 1 66 LEU CB 3.660 2.420 5.520 3.564 2.930 5.206 . 0 0 "[ . 1 . 2]" 1
719 1 30 ILE MD 1 46 ILE CB 3.670 2.420 5.540 4.843 4.517 5.365 . 0 0 "[ . 1 . 2]" 1
720 1 30 ILE MD 1 66 LEU CD1 3.620 2.410 5.440 3.785 3.147 5.079 . 0 0 "[ . 1 . 2]" 1
721 1 30 ILE MD 1 70 VAL CG1 3.840 2.480 5.880 4.140 3.037 4.646 . 0 0 "[ . 1 . 2]" 1
722 1 30 ILE MD 1 66 LEU CA 4.270 2.620 6.740 4.548 3.945 5.936 . 0 0 "[ . 1 . 2]" 1
723 1 24 LEU CB 1 27 ILE MD 4.040 2.540 6.280 3.800 3.647 3.957 . 0 0 "[ . 1 . 2]" 1
724 1 27 ILE CG1 1 54 ILE MD 4.570 2.720 7.350 5.830 5.412 6.692 . 0 0 "[ . 1 . 2]" 1
725 1 22 VAL CB 1 54 ILE MD 3.880 2.490 5.970 3.677 3.475 4.121 . 0 0 "[ . 1 . 2]" 1
726 1 22 VAL CG1 1 54 ILE MD 3.220 2.280 4.640 3.125 2.816 3.861 . 0 0 "[ . 1 . 2]" 1
727 1 22 VAL CG2 1 54 ILE MD 3.310 2.310 4.820 3.113 2.956 3.423 . 0 0 "[ . 1 . 2]" 1
728 1 18 ILE CA 1 18 ILE MD 3.670 2.420 5.540 3.685 3.666 3.703 . 0 0 "[ . 1 . 2]" 1
729 1 18 ILE MD 1 54 ILE CA 3.960 2.520 6.120 3.653 2.944 4.615 . 0 0 "[ . 1 . 2]" 1
730 1 18 ILE CG2 1 18 ILE MD 2.950 2.180 4.100 2.658 2.630 2.701 . 0 0 "[ . 1 . 2]" 1
731 1 18 ILE MD 1 54 ILE CG2 3.200 2.260 4.600 3.112 2.588 3.805 . 0 0 "[ . 1 . 2]" 1
732 1 44 VAL CB 1 63 LEU QD 4.170 2.590 6.540 3.217 2.982 3.406 . 0 0 "[ . 1 . 2]" 1
733 1 44 VAL CG1 1 63 LEU QD 3.630 2.410 5.460 2.953 2.776 3.155 . 0 0 "[ . 1 . 2]" 1
734 1 56 VAL CG2 1 63 LEU QD 3.870 2.490 5.940 2.712 2.578 2.761 . 0 0 "[ . 1 . 2]" 1
735 1 55 CYS CB 1 56 VAL MG1 4.300 2.630 6.810 4.881 4.759 5.123 . 0 0 "[ . 1 . 2]" 1
736 1 18 ILE CG1 1 56 VAL MG1 3.830 2.470 5.860 4.836 4.314 5.518 . 0 0 "[ . 1 . 2]" 1
737 1 54 ILE CG2 1 56 VAL MG1 3.400 2.330 5.000 3.185 2.880 3.688 . 0 0 "[ . 1 . 2]" 1
738 1 56 VAL MG1 1 63 LEU CA 4.570 2.720 7.350 6.275 5.982 6.477 . 0 0 "[ . 1 . 2]" 1
739 1 44 VAL CB 1 56 VAL MG1 4.570 2.720 7.350 5.428 5.173 5.609 . 0 0 "[ . 1 . 2]" 1
740 1 17 VAL MG1 1 57 ASN CA 3.660 2.420 5.520 3.443 2.992 4.717 . 0 0 "[ . 1 . 2]" 1
741 1 17 VAL MG1 1 57 ASN CB 3.970 2.530 6.140 3.638 3.149 5.048 . 0 0 "[ . 1 . 2]" 1
742 1 45 VAL MG2 1 55 CYS CA 3.970 2.520 6.140 4.429 4.104 5.184 . 0 0 "[ . 1 . 2]" 1
743 1 22 VAL MG1 1 27 ILE CG1 4.070 2.560 6.340 2.828 2.681 2.906 . 0 0 "[ . 1 . 2]" 1
744 1 22 VAL MG2 1 27 ILE CG1 4.070 2.560 6.340 4.665 4.456 4.902 . 0 0 "[ . 1 . 2]" 1
745 1 44 VAL MG2 1 58 PRO CA 3.340 2.320 4.880 3.153 2.870 3.828 . 0 0 "[ . 1 . 2]" 1
746 1 44 VAL MG2 1 63 LEU CD2 3.570 2.390 5.340 3.243 3.041 3.408 . 0 0 "[ . 1 . 2]" 1
747 1 56 VAL MG2 1 63 LEU CD2 3.760 2.450 5.730 2.978 2.772 3.096 . 0 0 "[ . 1 . 2]" 1
748 1 55 CYS CB 1 56 VAL MG2 4.360 2.650 6.930 5.162 4.832 5.432 . 0 0 "[ . 1 . 2]" 1
749 1 54 ILE CG2 1 56 VAL MG2 4.020 2.540 6.240 5.180 4.431 5.578 . 0 0 "[ . 1 . 2]" 1
750 1 17 VAL MG2 1 57 ASN CB 3.970 2.530 6.140 3.626 3.110 4.367 . 0 0 "[ . 1 . 2]" 1
751 1 27 ILE CG1 1 46 ILE MG 3.560 2.390 5.320 3.201 2.972 3.545 . 0 0 "[ . 1 . 2]" 1
752 1 30 ILE CG1 1 46 ILE MG 3.680 2.430 5.560 3.449 3.193 3.688 . 0 0 "[ . 1 . 2]" 1
753 1 22 VAL CG1 1 46 ILE MG 3.250 2.290 4.700 3.510 3.211 4.020 . 0 0 "[ . 1 . 2]" 1
754 1 22 VAL CG2 1 46 ILE MG 3.610 2.400 5.420 3.975 3.602 4.433 . 0 0 "[ . 1 . 2]" 1
755 1 30 ILE CD1 1 46 ILE MG 3.000 2.200 4.200 4.174 3.960 4.383 0.183 7 0 "[ . 1 . 2]" 1
756 1 60 ALA MB 1 61 LYS CA 3.690 2.430 5.580 4.232 4.118 4.299 . 0 0 "[ . 1 . 2]" 1
757 1 57 ASN CB 1 60 ALA MB 3.470 2.350 5.140 4.155 3.847 4.668 . 0 0 "[ . 1 . 2]" 1
758 1 22 VAL CG2 1 54 ILE MG 3.060 2.220 4.320 2.951 2.602 3.650 . 0 0 "[ . 1 . 2]" 1
759 1 2 ILE MG 1 4 GLU CG 4.160 2.590 6.520 3.484 2.882 4.418 . 0 0 "[ . 1 . 2]" 1
760 1 30 ILE MG 1 46 ILE CB 3.480 2.360 5.160 4.553 4.359 4.891 . 0 0 "[ . 1 . 2]" 1
761 1 30 ILE MG 1 44 VAL CG1 3.140 2.250 4.480 2.664 2.547 2.808 . 0 0 "[ . 1 . 2]" 1
762 1 30 ILE CD1 1 30 ILE MG 3.240 2.280 4.680 2.615 2.546 3.555 . 0 0 "[ . 1 . 2]" 1
763 1 3 LEU CD1 1 30 ILE MG 4.180 2.590 6.570 3.276 2.944 3.779 . 0 0 "[ . 1 . 2]" 1
764 1 27 ILE MG 1 46 ILE CB 4.120 2.580 6.440 3.966 3.677 4.245 . 0 0 "[ . 1 . 2]" 1
765 1 22 VAL CB 1 27 ILE MG 4.570 2.720 7.350 5.248 4.913 5.510 . 0 0 "[ . 1 . 2]" 1
766 1 42 THR MG 1 58 PRO CG 4.110 2.570 6.420 3.214 2.729 4.369 . 0 0 "[ . 1 . 2]" 1
767 1 48 THR MG 1 54 ILE CB 4.040 2.540 6.280 4.218 3.777 4.807 . 0 0 "[ . 1 . 2]" 1
768 1 48 THR MG 1 52 LYS CD 3.980 2.520 6.160 5.400 4.733 6.060 . 0 0 "[ . 1 . 2]" 1
769 1 26 ILE CG1 1 48 THR MG 3.470 2.360 5.130 3.262 3.006 3.534 . 0 0 "[ . 1 . 2]" 1
770 1 48 THR MG 1 54 ILE CG1 3.740 2.450 5.680 3.641 3.273 4.285 . 0 0 "[ . 1 . 2]" 1
771 1 46 ILE CG2 1 48 THR MG 3.850 2.480 5.900 3.750 3.204 4.239 . 0 0 "[ . 1 . 2]" 1
772 1 78 THR MG 1 79 PRO CD 3.990 2.530 6.180 4.140 3.567 4.488 . 0 0 "[ . 1 . 2]" 1
773 1 24 LEU CA 1 24 LEU MD2 3.670 2.420 5.540 3.533 2.648 3.679 . 0 0 "[ . 1 . 2]" 1
774 1 24 LEU CA 1 24 LEU MD1 3.670 2.420 5.540 2.805 2.595 3.666 . 0 0 "[ . 1 . 2]" 1
775 1 66 LEU CA 1 66 LEU MD2 3.880 2.490 5.970 3.046 2.616 3.663 . 0 0 "[ . 1 . 2]" 1
776 1 27 ILE CD1 1 66 LEU MD2 3.960 2.520 6.120 3.741 2.719 4.635 . 0 0 "[ . 1 . 2]" 1
777 1 30 ILE CD1 1 66 LEU MD2 4.460 2.690 7.120 4.254 3.004 5.566 . 0 0 "[ . 1 . 2]" 1
778 1 27 ILE CD1 1 66 LEU MD1 3.960 2.520 6.120 3.566 2.709 5.041 . 0 0 "[ . 1 . 2]" 1
779 1 30 ILE CD1 1 66 LEU MD1 4.460 2.690 7.120 3.952 3.033 5.662 . 0 0 "[ . 1 . 2]" 1
780 1 66 LEU CA 1 66 LEU MD1 3.880 2.490 5.970 3.195 2.674 3.672 . 0 0 "[ . 1 . 2]" 1
781 1 44 VAL CG1 1 67 LEU QD 3.530 2.380 5.250 3.773 2.676 4.223 . 0 0 "[ . 1 . 2]" 1
782 1 67 LEU QD 1 70 VAL CG2 3.860 2.490 5.910 4.281 3.992 4.652 . 0 0 "[ . 1 . 2]" 1
783 1 21 VAL MG2 1 62 TRP CB 4.340 2.650 6.880 3.416 3.011 4.214 . 0 0 "[ . 1 . 2]" 1
784 1 44 VAL MG2 1 58 PRO CD 4.160 2.590 6.520 3.421 2.901 4.362 . 0 0 "[ . 1 . 2]" 1
785 1 21 VAL MG1 1 62 TRP CB 4.340 2.650 6.880 4.390 2.988 5.875 . 0 0 "[ . 1 . 2]" 1
786 1 30 ILE MG 1 46 ILE CG1 3.900 2.500 6.000 3.515 3.310 3.859 . 0 0 "[ . 1 . 2]" 1
787 1 22 VAL CG2 1 26 ILE MG 4.570 2.720 7.350 7.720 7.394 8.014 0.664 2 4 "[ + . * 1 - . * 2]" 1
788 1 26 ILE MG 1 48 THR CG2 4.570 2.720 7.350 5.367 5.075 5.686 . 0 0 "[ . 1 . 2]" 1
789 1 56 VAL MG2 1 63 LEU CD1 3.590 2.400 5.380 3.180 2.984 3.412 . 0 0 "[ . 1 . 2]" 1
790 1 3 LEU CD1 1 32 VAL MG2 4.140 2.580 6.480 3.582 2.754 4.597 . 0 0 "[ . 1 . 2]" 1
791 1 1 MET ME 1 27 ILE CD1 3.700 2.430 5.600 4.228 3.186 5.379 . 0 0 "[ . 1 . 2]" 1
792 1 2 ILE MD 1 29 ARG CG 3.250 2.290 4.700 3.566 2.739 4.610 . 0 0 "[ . 1 . 2]" 1
793 1 22 VAL CB 1 46 ILE MD 4.110 2.570 6.420 3.791 3.489 4.276 . 0 0 "[ . 1 . 2]" 1
794 1 44 VAL CB 1 46 ILE MD 4.570 2.720 7.350 4.883 4.525 5.223 . 0 0 "[ . 1 . 2]" 1
795 1 1 MET ME 1 24 LEU QD 3.380 2.330 4.960 3.149 2.240 4.200 0.090 15 0 "[ . 1 . 2]" 1
796 1 1 MET ME 1 66 LEU QD 3.640 2.410 5.480 2.761 2.237 3.762 0.173 3 0 "[ . 1 . 2]" 1
797 1 1 MET CE 1 24 LEU QD 3.880 2.490 5.970 4.061 2.886 5.329 . 0 0 "[ . 1 . 2]" 1
798 1 1 MET CE 1 66 LEU QD 3.900 2.500 6.000 3.607 2.911 4.737 . 0 0 "[ . 1 . 2]" 1
799 1 2 ILE HB 1 29 ARG QD 4.290 2.630 6.780 3.569 1.836 4.934 0.794 17 2 "[ .- 1 . + 2]" 1
800 1 2 ILE MG 1 4 GLU QG 3.760 2.450 5.720 2.856 2.225 4.393 0.225 8 0 "[ . 1 . 2]" 1
801 1 2 ILE MG 1 29 ARG QG 3.720 2.440 5.640 3.254 2.661 4.140 . 0 0 "[ . 1 . 2]" 1
802 1 2 ILE QG 1 3 LEU H 4.380 2.660 6.960 4.412 4.226 4.792 . 0 0 "[ . 1 . 2]" 1
803 1 3 LEU H 1 3 LEU QB 2.830 2.140 3.860 2.330 2.225 2.463 . 0 0 "[ . 1 . 2]" 1
804 1 3 LEU HA 1 3 LEU QD 3.640 2.410 5.480 2.284 2.255 2.315 0.155 4 0 "[ . 1 . 2]" 1
805 1 3 LEU CG 1 70 VAL QG 3.850 2.480 5.900 3.338 3.009 3.934 . 0 0 "[ . 1 . 2]" 1
806 1 3 LEU QD 1 4 GLU H 3.560 2.390 5.320 2.816 2.328 3.152 0.062 14 0 "[ . 1 . 2]" 1
807 1 3 LEU QD 1 5 ALA MB 3.720 2.440 5.640 4.098 3.614 4.641 . 0 0 "[ . 1 . 2]" 1
808 1 3 LEU QD 1 30 ILE MG 3.200 2.270 4.590 2.493 2.241 2.903 0.029 11 0 "[ . 1 . 2]" 1
809 1 3 LEU QD 1 30 ILE CG2 3.700 2.430 5.610 3.214 2.971 3.632 . 0 0 "[ . 1 . 2]" 1
810 1 3 LEU QD 1 67 LEU QD 3.050 2.210 4.300 2.648 2.075 3.499 0.135 14 0 "[ . 1 . 2]" 1
811 1 3 LEU QD 1 70 VAL QG 2.760 2.120 3.720 1.980 1.746 2.484 0.374 2 0 "[ . 1 . 2]" 1
812 1 3 LEU QD 1 70 VAL CG2 3.760 2.450 5.730 2.742 2.474 3.326 . 0 0 "[ . 1 . 2]" 1
813 1 3 LEU QD 1 71 GLN H 3.940 2.520 6.080 4.630 3.686 5.549 . 0 0 "[ . 1 . 2]" 1
814 1 3 LEU QD 1 71 GLN QE 3.790 2.460 5.780 4.059 2.529 5.822 0.042 10 0 "[ . 1 . 2]" 1
815 1 3 LEU CD1 1 32 VAL QG 3.410 2.340 5.020 2.955 2.592 3.457 . 0 0 "[ . 1 . 2]" 1
816 1 3 LEU CD1 1 70 VAL QG 3.890 2.490 5.980 3.431 2.998 4.045 . 0 0 "[ . 1 . 2]" 1
817 1 3 LEU CD2 1 70 VAL QG 4.050 2.550 6.300 2.947 2.648 3.561 . 0 0 "[ . 1 . 2]" 1
818 1 4 GLU QB 1 5 ALA H 3.360 2.320 4.920 3.092 2.676 3.775 . 0 0 "[ . 1 . 2]" 1
819 1 4 GLU QB 1 31 GLN H 3.380 2.320 4.960 4.262 3.536 4.757 . 0 0 "[ . 1 . 2]" 1
820 1 4 GLU QB 1 31 GLN HA 3.470 2.350 5.140 2.364 2.254 2.661 0.096 3 0 "[ . 1 . 2]" 1
821 1 4 GLU QB 1 31 GLN HG3 3.370 2.320 4.940 2.488 2.164 2.901 0.156 1 0 "[ . 1 . 2]" 1
822 1 4 GLU QB 1 31 GLN QE 3.140 2.250 4.480 2.684 2.284 4.186 . 0 0 "[ . 1 . 2]" 1
823 1 4 GLU QG 1 31 GLN QE 3.320 2.300 4.840 3.364 2.618 4.826 . 0 0 "[ . 1 . 2]" 1
824 1 5 ALA MB 1 32 VAL QG 4.070 2.550 6.340 3.274 2.539 4.761 0.011 17 0 "[ . 1 . 2]" 1
825 1 9 ASN H 1 10 LEU QB 4.450 2.680 7.110 5.014 4.145 6.097 . 0 0 "[ . 1 . 2]" 1
826 1 9 ASN QB 1 9 ASN QD 2.830 2.140 3.860 2.227 2.136 2.671 0.004 4 0 "[ . 1 . 2]" 1
827 1 9 ASN QB 1 10 LEU H 3.770 2.460 5.740 3.658 2.258 4.107 0.202 3 0 "[ . 1 . 2]" 1
828 1 10 LEU H 1 10 LEU QB 2.810 2.140 3.820 2.680 2.140 3.435 0.000 12 0 "[ . 1 . 2]" 1
829 1 10 LEU H 1 10 LEU QD 3.800 2.470 5.800 3.415 2.367 4.162 0.103 17 0 "[ . 1 . 2]" 1
830 1 10 LEU CA 1 10 LEU QD 3.130 2.240 4.470 2.722 2.647 2.786 . 0 0 "[ . 1 . 2]" 1
831 1 10 LEU HA 1 10 LEU QD 2.890 2.160 3.990 2.764 2.254 3.501 . 0 0 "[ . 1 . 2]" 1
832 1 10 LEU QB 1 11 LYS H 2.990 2.200 4.170 2.814 2.077 4.002 0.123 15 0 "[ . 1 . 2]" 1
833 1 10 LEU QD 1 11 LYS H 3.660 2.420 5.520 3.391 2.287 4.398 0.133 3 0 "[ . 1 . 2]" 1
834 1 11 LYS H 1 11 LYS QG 3.200 2.270 4.590 2.608 2.225 3.413 0.045 15 0 "[ . 1 . 2]" 1
835 1 11 LYS QB 1 12 CYS H 3.390 2.330 4.980 3.507 2.926 4.075 . 0 0 "[ . 1 . 2]" 1
836 1 12 CYS H 1 12 CYS QB 3.050 2.210 4.300 2.520 2.359 2.637 . 0 0 "[ . 1 . 2]" 1
837 1 12 CYS QB 1 13 ARG H 3.350 2.310 4.900 3.548 3.293 3.678 . 0 0 "[ . 1 . 2]" 1
838 1 12 CYS QB 1 14 CYS H 3.200 2.260 4.600 4.216 4.001 4.724 0.124 13 0 "[ . 1 . 2]" 1
839 1 13 ARG H 1 13 ARG QB 3.020 2.200 4.240 2.488 2.266 3.054 . 0 0 "[ . 1 . 2]" 1
840 1 13 ARG H 1 13 ARG QG 3.510 2.370 5.220 2.960 2.238 4.137 0.132 3 0 "[ . 1 . 2]" 1
841 1 13 ARG H 1 13 ARG QD 4.330 2.640 6.860 4.343 3.924 4.876 . 0 0 "[ . 1 . 2]" 1
842 1 13 ARG H 1 14 CYS QB 4.450 2.680 7.110 4.791 4.178 5.635 . 0 0 "[ . 1 . 2]" 1
843 1 13 ARG QB 1 13 ARG QD 2.870 2.160 3.940 2.389 2.193 2.492 . 0 0 "[ . 1 . 2]" 1
844 1 13 ARG QB 1 14 CYS H 3.270 2.290 4.740 3.832 3.704 4.035 . 0 0 "[ . 1 . 2]" 1
845 1 14 CYS H 1 14 CYS QB 2.960 2.190 4.120 2.613 2.304 2.713 . 0 0 "[ . 1 . 2]" 1
846 1 14 CYS QB 1 45 VAL MG2 3.800 2.470 5.790 3.044 2.349 3.840 0.121 5 0 "[ . 1 . 2]" 1
847 1 16 GLY QA 1 17 VAL H 2.530 2.050 3.260 2.228 2.119 2.331 . 0 0 "[ . 1 . 2]" 1
848 1 16 GLY QA 1 17 VAL QG 3.470 2.350 5.140 3.201 3.014 3.375 . 0 0 "[ . 1 . 2]" 1
849 1 17 VAL H 1 17 VAL QG 2.520 2.040 3.240 2.235 2.003 2.896 0.037 7 0 "[ . 1 . 2]" 1
850 1 17 VAL HA 1 55 CYS QB 3.350 2.310 4.900 3.061 2.357 3.945 . 0 0 "[ . 1 . 2]" 1
851 1 17 VAL QG 1 18 ILE H 3.050 2.210 4.300 3.353 2.540 3.551 . 0 0 "[ . 1 . 2]" 1
852 1 17 VAL QG 1 18 ILE HA 3.680 2.430 5.560 4.014 3.294 4.258 . 0 0 "[ . 1 . 2]" 1
853 1 17 VAL QG 1 55 CYS CB 3.340 2.310 4.890 4.067 2.880 5.075 0.185 15 0 "[ . 1 . 2]" 1
854 1 17 VAL QG 1 55 CYS QB 3.140 2.250 4.480 3.280 2.156 4.264 0.094 13 0 "[ . 1 . 2]" 1
855 1 17 VAL QG 1 56 VAL HA 3.220 2.280 4.640 3.304 2.421 3.969 . 0 0 "[ . 1 . 2]" 1
856 1 17 VAL QG 1 57 ASN H 3.410 2.330 5.020 3.287 2.185 3.840 0.145 16 0 "[ . 1 . 2]" 1
857 1 17 VAL QG 1 57 ASN CA 3.210 2.270 4.620 3.225 2.936 4.120 . 0 0 "[ . 1 . 2]" 1
858 1 17 VAL QG 1 57 ASN HA 3.250 2.290 4.700 2.784 2.278 3.847 0.012 9 0 "[ . 1 . 2]" 1
859 1 17 VAL QG 1 57 ASN CB 3.320 2.310 4.830 3.186 2.857 4.006 . 0 0 "[ . 1 . 2]" 1
860 1 17 VAL QG 1 57 ASN HB2 3.560 2.390 5.320 3.503 2.904 4.500 . 0 0 "[ . 1 . 2]" 1
861 1 17 VAL QG 1 57 ASN HB3 3.520 2.370 5.240 2.504 2.213 3.211 0.157 16 0 "[ . 1 . 2]" 1
862 1 17 VAL QG 1 57 ASN HD21 3.490 2.360 5.180 4.974 3.643 5.563 0.383 6 0 "[ . 1 . 2]" 1
863 1 17 VAL QG 1 57 ASN HD22 4.090 2.570 6.380 4.409 3.069 5.266 . 0 0 "[ . 1 . 2]" 1
864 1 17 VAL QG 1 58 PRO QD 3.570 2.390 5.340 3.621 2.557 4.782 . 0 0 "[ . 1 . 2]" 1
865 1 18 ILE H 1 55 CYS QB 3.990 2.530 6.180 4.061 3.233 5.121 . 0 0 "[ . 1 . 2]" 1
866 1 18 ILE MD 1 55 CYS QB 4.450 2.680 7.110 4.218 3.107 5.734 . 0 0 "[ . 1 . 2]" 1
867 1 21 VAL H 1 21 VAL QG 2.680 2.090 3.560 2.185 2.114 2.282 . 0 0 "[ . 1 . 2]" 1
868 1 21 VAL QG 1 23 GLY H 3.610 2.400 5.420 4.557 4.160 4.907 . 0 0 "[ . 1 . 2]" 1
869 1 21 VAL QG 1 62 TRP CB 3.840 2.480 5.880 3.175 2.798 3.739 . 0 0 "[ . 1 . 2]" 1
870 1 21 VAL QG 1 62 TRP QB 3.850 2.480 5.900 2.661 2.273 3.233 0.207 3 0 "[ . 1 . 2]" 1
871 1 21 VAL QG 1 62 TRP HE1 3.280 2.300 4.760 3.680 3.066 4.735 . 0 0 "[ . 1 . 2]" 1
872 1 22 VAL QG 1 23 GLY H 2.770 2.130 3.740 2.527 2.335 2.722 . 0 0 "[ . 1 . 2]" 1
873 1 22 VAL QG 1 24 LEU H 4.090 2.570 6.380 4.991 4.798 5.194 . 0 0 "[ . 1 . 2]" 1
874 1 22 VAL QG 1 26 ILE CG1 3.370 2.320 4.940 3.077 2.882 3.396 . 0 0 "[ . 1 . 2]" 1
875 1 22 VAL QG 1 26 ILE QG 3.290 2.290 4.780 2.397 2.272 2.702 0.018 17 0 "[ . 1 . 2]" 1
876 1 22 VAL QG 1 26 ILE CD1 3.040 2.210 4.280 3.110 2.841 3.502 . 0 0 "[ . 1 . 2]" 1
877 1 22 VAL QG 1 27 ILE H 3.110 2.230 4.420 3.717 3.433 3.885 . 0 0 "[ . 1 . 2]" 1
878 1 22 VAL QG 1 27 ILE CA 4.040 2.540 6.280 3.878 3.514 4.149 . 0 0 "[ . 1 . 2]" 1
879 1 22 VAL QG 1 27 ILE CG1 3.480 2.360 5.160 2.804 2.667 2.871 . 0 0 "[ . 1 . 2]" 1
880 1 22 VAL QG 1 46 ILE HA 4.410 2.670 7.020 5.325 5.072 5.752 . 0 0 "[ . 1 . 2]" 1
881 1 22 VAL QG 1 46 ILE HB 3.940 2.510 6.080 3.336 2.965 3.798 . 0 0 "[ . 1 . 2]" 1
882 1 22 VAL QG 1 46 ILE MG 2.970 2.190 4.140 2.475 2.233 2.869 . 0 0 "[ . 1 . 2]" 1
883 1 22 VAL QG 1 46 ILE CG2 3.260 2.290 4.710 3.281 3.017 3.721 . 0 0 "[ . 1 . 2]" 1
884 1 22 VAL QG 1 48 THR HB 3.720 2.440 5.640 4.296 4.045 4.696 . 0 0 "[ . 1 . 2]" 1
885 1 22 VAL QG 1 48 THR MG 3.030 2.210 4.260 2.267 2.084 2.553 0.126 6 0 "[ . 1 . 2]" 1
886 1 22 VAL QG 1 54 ILE MD 3.010 2.200 4.220 2.089 1.931 2.368 0.269 16 0 "[ . 1 . 2]" 1
887 1 22 VAL QG 1 62 TRP HE1 4.440 2.680 7.080 5.225 4.020 5.885 . 0 0 "[ . 1 . 2]" 1
888 1 22 VAL QG 1 62 TRP HZ2 3.820 2.470 5.850 3.167 2.481 3.729 . 0 0 "[ . 1 . 2]" 1
889 1 22 VAL QG 1 62 TRP HH2 3.450 2.350 5.100 2.511 2.276 3.155 0.074 4 0 "[ . 1 . 2]" 1
890 1 23 GLY H 1 26 ILE QG 3.470 2.350 5.140 2.871 2.621 3.039 . 0 0 "[ . 1 . 2]" 1
891 1 23 GLY QA 1 24 LEU H 2.400 . 3.000 2.144 2.118 2.166 . 0 0 "[ . 1 . 2]" 1
892 1 23 GLY QA 1 25 ASN H 3.220 2.270 4.650 3.377 3.208 3.577 . 0 0 "[ . 1 . 2]" 1
893 1 23 GLY QA 1 26 ILE H 3.640 2.410 5.490 3.364 3.089 3.575 . 0 0 "[ . 1 . 2]" 1
894 1 23 GLY QA 1 26 ILE MD 4.400 2.670 7.000 3.260 2.877 3.651 . 0 0 "[ . 1 . 2]" 1
895 1 24 LEU H 1 24 LEU QD 3.280 2.300 4.760 2.194 1.682 2.843 0.618 5 1 "[ + 1 . 2]" 1
896 1 24 LEU HA 1 24 LEU QD 3.170 2.250 4.540 2.571 2.252 2.828 . 0 0 "[ . 1 . 2]" 1
897 1 24 LEU HA 1 26 ILE QG 3.480 2.360 5.160 4.746 4.598 4.880 . 0 0 "[ . 1 . 2]" 1
898 1 24 LEU QB 1 24 LEU HG 2.410 2.010 3.020 2.370 2.175 2.417 . 0 0 "[ . 1 . 2]" 1
899 1 24 LEU QB 1 26 ILE H 3.680 2.430 5.560 4.807 4.675 4.985 . 0 0 "[ . 1 . 2]" 1
900 1 24 LEU QB 1 27 ILE MD 3.520 2.370 5.240 3.850 3.586 4.018 . 0 0 "[ . 1 . 2]" 1
901 1 24 LEU QB 1 66 LEU QD 3.610 2.400 5.420 3.501 2.754 4.268 . 0 0 "[ . 1 . 2]" 1
902 1 24 LEU QD 1 25 ASN H 3.230 2.270 4.660 3.994 3.498 4.220 . 0 0 "[ . 1 . 2]" 1
903 1 24 LEU QD 1 27 ILE CD1 3.840 2.480 5.880 3.474 2.835 3.900 . 0 0 "[ . 1 . 2]" 1
904 1 24 LEU QD 1 66 LEU QD 2.930 2.180 4.050 1.997 1.677 2.778 0.503 5 1 "[ + 1 . 2]" 1
905 1 25 ASN QB 1 25 ASN QD 2.620 2.070 3.450 2.198 2.122 2.684 . 0 0 "[ . 1 . 2]" 1
906 1 26 ILE H 1 26 ILE QG 2.820 2.140 3.840 2.278 2.156 2.368 . 0 0 "[ . 1 . 2]" 1
907 1 26 ILE HA 1 49 LYS QG 4.150 2.590 6.500 2.743 2.466 3.719 0.124 10 0 "[ . 1 . 2]" 1
908 1 26 ILE HA 1 49 LYS QE 3.900 2.500 6.000 4.122 2.675 5.389 . 0 0 "[ . 1 . 2]" 1
909 1 26 ILE QG 1 27 ILE H 3.350 2.310 4.900 2.773 2.645 2.968 . 0 0 "[ . 1 . 2]" 1
910 1 27 ILE MG 1 30 ILE QG 3.250 2.290 4.700 2.274 2.151 2.481 0.139 17 0 "[ . 1 . 2]" 1
911 1 27 ILE MD 1 66 LEU QD 2.960 2.190 4.120 2.157 2.004 2.419 0.186 16 0 "[ . 1 . 2]" 1
912 1 27 ILE CD1 1 66 LEU QD 3.440 2.340 5.080 2.856 2.687 3.244 . 0 0 "[ . 1 . 2]" 1
913 1 28 ASP H 1 47 TRP QB 3.640 2.410 5.490 4.355 4.174 4.598 . 0 0 "[ . 1 . 2]" 1
914 1 28 ASP H 1 49 LYS QG 3.750 2.450 5.700 4.291 3.556 5.455 . 0 0 "[ . 1 . 2]" 1
915 1 28 ASP QB 1 29 ARG H 2.870 2.160 3.940 2.430 2.283 2.792 . 0 0 "[ . 1 . 2]" 1
916 1 28 ASP QB 1 49 LYS H 3.490 2.360 5.180 3.060 2.639 4.022 . 0 0 "[ . 1 . 2]" 1
917 1 28 ASP QB 1 49 LYS HA 3.330 2.310 4.860 2.709 2.337 3.459 . 0 0 "[ . 1 . 2]" 1
918 1 28 ASP QB 1 49 LYS QG 3.800 2.470 5.790 2.865 2.252 4.558 0.218 20 0 "[ . 1 . 2]" 1
919 1 28 ASP QB 1 51 LYS H 4.450 2.680 7.110 4.807 4.416 5.674 . 0 0 "[ . 1 . 2]" 1
920 1 29 ARG H 1 29 ARG QB 3.160 2.260 4.520 2.703 2.527 2.815 . 0 0 "[ . 1 . 2]" 1
921 1 29 ARG H 1 29 ARG QG 3.830 2.470 5.860 3.390 2.754 4.281 . 0 0 "[ . 1 . 2]" 1
922 1 29 ARG H 1 47 TRP QB 3.140 2.250 4.480 3.126 2.806 3.585 . 0 0 "[ . 1 . 2]" 1
923 1 29 ARG QB 1 30 ILE H 3.030 2.210 4.260 3.044 2.528 3.874 . 0 0 "[ . 1 . 2]" 1
924 1 29 ARG QG 1 30 ILE H 3.450 2.350 5.100 3.793 2.784 4.320 . 0 0 "[ . 1 . 2]" 1
925 1 30 ILE H 1 30 ILE QG 3.500 2.370 5.200 3.034 2.720 3.474 . 0 0 "[ . 1 . 2]" 1
926 1 30 ILE HB 1 70 VAL QG 3.700 2.430 5.600 3.892 3.071 4.460 . 0 0 "[ . 1 . 2]" 1
927 1 30 ILE MG 1 32 VAL QG 3.110 2.230 4.420 2.771 2.237 3.081 . 0 0 "[ . 1 . 2]" 1
928 1 30 ILE MG 1 46 ILE QG 3.870 2.490 5.940 2.612 2.403 2.916 0.087 3 0 "[ . 1 . 2]" 1
929 1 30 ILE MG 1 66 LEU QB 4.280 2.630 6.760 4.238 3.613 5.034 . 0 0 "[ . 1 . 2]" 1
930 1 30 ILE CG2 1 32 VAL QG 3.500 2.370 5.200 3.709 3.130 4.080 . 0 0 "[ . 1 . 2]" 1
931 1 30 ILE CG2 1 70 VAL QG 4.430 2.680 7.050 4.803 4.045 5.281 . 0 0 "[ . 1 . 2]" 1
932 1 30 ILE QG 1 46 ILE HA 3.940 2.520 6.080 3.300 2.768 3.896 . 0 0 "[ . 1 . 2]" 1
933 1 30 ILE QG 1 46 ILE MG 3.380 2.320 4.960 2.580 2.371 2.790 . 0 0 "[ . 1 . 2]" 1
934 1 30 ILE MD 1 66 LEU QB 3.550 2.380 5.310 2.819 2.172 4.941 0.208 8 0 "[ . 1 . 2]" 1
935 1 30 ILE MD 1 66 LEU QD 2.880 2.160 3.960 2.412 2.174 3.091 . 0 0 "[ . 1 . 2]" 1
936 1 30 ILE MD 1 70 VAL QG 3.010 2.200 4.230 3.040 2.040 3.565 0.160 12 0 "[ . 1 . 2]" 1
937 1 30 ILE CD1 1 66 LEU QD 3.390 2.330 4.980 3.211 2.959 3.997 . 0 0 "[ . 1 . 2]" 1
938 1 30 ILE CD1 1 70 VAL QG 4.240 2.610 6.690 4.018 2.988 4.608 . 0 0 "[ . 1 . 2]" 1
939 1 31 GLN H 1 32 VAL QG 3.970 2.530 6.140 4.619 4.373 4.901 . 0 0 "[ . 1 . 2]" 1
940 1 31 GLN QE 1 31 GLN HG3 3.110 2.230 4.420 2.815 2.748 2.949 . 0 0 "[ . 1 . 2]" 1
941 1 32 VAL H 1 32 VAL QG 3.100 2.230 4.400 2.090 2.000 2.346 0.230 20 0 "[ . 1 . 2]" 1
942 1 32 VAL QG 1 33 THR H 3.090 2.230 4.380 3.453 2.854 3.739 . 0 0 "[ . 1 . 2]" 1
943 1 32 VAL QG 1 34 PRO QD 3.740 2.450 5.670 3.197 2.524 4.275 . 0 0 "[ . 1 . 2]" 1
944 1 32 VAL QG 1 44 VAL MG1 3.200 2.260 4.600 2.665 2.355 3.062 . 0 0 "[ . 1 . 2]" 1
945 1 32 VAL QG 1 67 LEU QD 2.930 2.210 4.050 2.556 2.201 2.984 0.009 9 0 "[ . 1 . 2]" 1
946 1 32 VAL QG 1 67 LEU CD1 3.460 2.350 5.120 4.222 3.595 4.905 . 0 0 "[ . 1 . 2]" 1
947 1 32 VAL QG 1 67 LEU CD2 3.810 2.470 5.820 3.481 3.002 4.038 . 0 0 "[ . 1 . 2]" 1
948 1 33 THR HA 1 34 PRO QD 3.110 2.230 4.420 2.140 2.057 2.371 0.173 19 0 "[ . 1 . 2]" 1
949 1 33 THR MG 1 34 PRO QD 3.470 2.350 5.140 3.514 2.445 3.914 . 0 0 "[ . 1 . 2]" 1
950 1 36 GLY H 1 39 CYS QB 4.450 2.680 7.110 4.163 2.591 6.698 0.089 1 0 "[ . 1 . 2]" 1
951 1 36 GLY QA 1 37 ASN HA 3.800 2.470 5.800 4.022 3.905 4.192 . 0 0 "[ . 1 . 2]" 1
952 1 36 GLY QA 1 38 GLY H 3.880 2.500 5.960 3.976 3.137 5.250 . 0 0 "[ . 1 . 2]" 1
953 1 37 ASN QB 1 37 ASN QD 2.800 2.130 3.800 2.235 2.118 2.682 0.012 11 0 "[ . 1 . 2]" 1
954 1 39 CYS HA 1 40 PRO QD 3.050 2.210 4.300 2.159 2.092 2.301 0.118 17 0 "[ . 1 . 2]" 1
955 1 39 CYS QB 1 41 LYS H 3.910 2.500 6.020 3.006 2.408 3.525 0.092 6 0 "[ . 1 . 2]" 1
956 1 40 PRO QD 1 41 LYS H 3.140 2.250 4.480 2.730 2.420 3.129 . 0 0 "[ . 1 . 2]" 1
957 1 41 LYS H 1 41 LYS QB 2.820 2.140 3.840 3.010 2.510 3.293 . 0 0 "[ . 1 . 2]" 1
958 1 41 LYS H 1 41 LYS QG 2.790 2.130 3.780 2.523 2.267 3.055 . 0 0 "[ . 1 . 2]" 1
959 1 41 LYS QB 1 41 LYS QE 3.880 2.500 5.960 3.029 2.199 3.702 0.301 4 0 "[ . 1 . 2]" 1
960 1 41 LYS QB 1 42 THR H 2.830 2.140 3.860 2.478 2.225 2.994 . 0 0 "[ . 1 . 2]" 1
961 1 41 LYS QG 1 42 THR H 4.100 2.560 6.400 3.729 3.216 4.295 . 0 0 "[ . 1 . 2]" 1
962 1 42 THR MG 1 58 PRO QB 3.220 2.280 4.640 3.110 2.338 4.460 . 0 0 "[ . 1 . 2]" 1
963 1 43 GLU H 1 43 GLU QG 3.700 2.430 5.600 3.012 2.371 4.349 0.059 12 0 "[ . 1 . 2]" 1
964 1 43 GLU QB 1 44 VAL H 3.380 2.330 4.960 2.923 2.322 3.633 0.008 11 0 "[ . 1 . 2]" 1
965 1 44 VAL MG2 1 58 PRO QB 3.140 2.250 4.480 2.658 2.252 3.272 . 0 0 "[ . 1 . 2]" 1
966 1 44 VAL MG2 1 58 PRO QD 3.530 2.380 5.260 2.815 2.298 3.765 0.082 5 0 "[ . 1 . 2]" 1
967 1 45 VAL HB 1 53 VAL QG 3.880 2.490 5.970 4.538 4.447 4.636 . 0 0 "[ . 1 . 2]" 1
968 1 45 VAL MG1 1 53 VAL QG 2.670 2.090 3.540 2.161 2.070 2.242 0.020 14 0 "[ . 1 . 2]" 1
969 1 45 VAL MG2 1 53 VAL QG 3.340 2.310 4.890 3.786 3.625 4.029 . 0 0 "[ . 1 . 2]" 1
970 1 46 ILE H 1 46 ILE QG 3.620 2.410 5.440 2.598 2.472 2.979 . 0 0 "[ . 1 . 2]" 1
971 1 46 ILE H 1 53 VAL QG 3.740 2.450 5.670 4.299 3.776 4.848 . 0 0 "[ . 1 . 2]" 1
972 1 47 TRP H 1 47 TRP QB 3.000 2.200 4.200 2.429 2.387 2.523 . 0 0 "[ . 1 . 2]" 1
973 1 47 TRP CA 1 53 VAL QG 3.980 2.520 6.160 4.242 3.842 4.546 . 0 0 "[ . 1 . 2]" 1
974 1 47 TRP HA 1 53 VAL QG 3.850 2.480 5.900 3.609 3.154 3.977 . 0 0 "[ . 1 . 2]" 1
975 1 47 TRP QB 1 48 THR H 3.200 2.270 4.590 3.238 3.031 3.452 . 0 0 "[ . 1 . 2]" 1
976 1 47 TRP HD1 1 53 VAL QG 3.930 2.510 6.060 2.441 2.358 2.637 0.152 7 0 "[ . 1 . 2]" 1
977 1 47 TRP HE1 1 53 VAL QG 3.130 2.240 4.470 2.453 2.002 3.248 0.238 19 0 "[ . 1 . 2]" 1
978 1 48 THR H 1 53 VAL QG 3.590 2.400 5.370 4.656 4.255 5.013 . 0 0 "[ . 1 . 2]" 1
979 1 49 LYS H 1 49 LYS QG 2.900 2.170 4.000 2.284 2.140 2.409 0.030 3 0 "[ . 1 . 2]" 1
980 1 49 LYS HA 1 49 LYS QG 3.110 2.230 4.420 2.769 2.399 3.435 . 0 0 "[ . 1 . 2]" 1
981 1 49 LYS QE 1 49 LYS QG 2.930 2.180 4.060 2.475 2.176 2.906 0.004 13 0 "[ . 1 . 2]" 1
982 1 49 LYS QG 1 50 MET H 4.040 2.540 6.280 3.813 2.536 4.316 0.004 10 0 "[ . 1 . 2]" 1
983 1 50 MET H 1 50 MET QG 3.130 2.240 4.470 2.474 2.235 3.312 0.005 14 0 "[ . 1 . 2]" 1
984 1 50 MET H 1 52 LYS QD 3.700 2.430 5.600 4.265 3.902 5.310 . 0 0 "[ . 1 . 2]" 1
985 1 50 MET HA 1 51 LYS QG 3.610 2.400 5.430 3.835 3.393 4.322 . 0 0 "[ . 1 . 2]" 1
986 1 50 MET QG 1 51 LYS H 3.680 2.430 5.560 4.397 4.237 4.823 . 0 0 "[ . 1 . 2]" 1
987 1 51 LYS H 1 51 LYS QB 2.860 2.150 3.920 3.406 3.360 3.483 . 0 0 "[ . 1 . 2]" 1
988 1 51 LYS H 1 51 LYS QG 2.930 2.180 4.050 2.984 2.838 3.126 . 0 0 "[ . 1 . 2]" 1
989 1 51 LYS H 1 52 LYS QD 3.410 2.330 5.020 4.078 3.820 5.146 0.126 4 0 "[ . 1 . 2]" 1
990 1 51 LYS HA 1 51 LYS QG 3.140 2.250 4.480 2.622 2.384 3.033 . 0 0 "[ . 1 . 2]" 1
991 1 51 LYS HA 1 52 LYS QD 3.700 2.430 5.610 4.598 4.360 5.357 . 0 0 "[ . 1 . 2]" 1
992 1 51 LYS QB 1 52 LYS H 3.350 2.310 4.900 3.740 3.555 3.926 . 0 0 "[ . 1 . 2]" 1
993 1 51 LYS QB 1 52 LYS QD 3.980 2.520 6.160 3.761 3.422 4.140 . 0 0 "[ . 1 . 2]" 1
994 1 52 LYS H 1 52 LYS QD 2.680 2.090 3.570 2.410 2.098 3.221 . 0 0 "[ . 1 . 2]" 1
995 1 52 LYS H 1 53 VAL QG 4.080 2.560 6.360 4.892 4.643 5.156 . 0 0 "[ . 1 . 2]" 1
996 1 52 LYS HA 1 52 LYS QD 3.420 2.340 5.040 2.739 2.300 2.955 0.040 4 0 "[ . 1 . 2]" 1
997 1 52 LYS QE 1 52 LYS HG3 3.170 2.250 4.540 2.754 2.407 3.063 . 0 0 "[ . 1 . 2]" 1
998 1 53 VAL H 1 53 VAL QG 2.820 2.140 3.840 2.221 2.120 2.374 0.020 17 0 "[ . 1 . 2]" 1
999 1 53 VAL QG 1 54 ILE H 3.000 2.200 4.200 3.197 3.023 3.304 . 0 0 "[ . 1 . 2]" 1
1000 1 53 VAL QG 1 55 CYS H 4.240 2.610 6.680 4.300 3.886 4.830 . 0 0 "[ . 1 . 2]" 1
1001 1 54 ILE MG 1 55 CYS QB 4.450 2.680 7.110 4.423 4.058 4.838 . 0 0 "[ . 1 . 2]" 1
1002 1 55 CYS H 1 55 CYS QB 2.810 2.140 3.820 2.580 2.410 3.040 . 0 0 "[ . 1 . 2]" 1
1003 1 55 CYS QB 1 56 VAL H 3.610 2.400 5.420 3.087 2.485 3.484 . 0 0 "[ . 1 . 2]" 1
1004 1 57 ASN H 1 58 PRO QD 3.880 2.490 5.970 4.497 4.434 4.552 . 0 0 "[ . 1 . 2]" 1
1005 1 57 ASN HD21 1 59 ARG QD 3.890 2.490 5.980 5.002 3.876 5.906 . 0 0 "[ . 1 . 2]" 1
1006 1 57 ASN HD22 1 59 ARG QB 3.350 2.310 4.900 2.635 2.285 3.849 0.025 12 0 "[ . 1 . 2]" 1
1007 1 58 PRO QB 1 59 ARG H 3.420 2.340 5.040 3.429 2.760 3.714 . 0 0 "[ . 1 . 2]" 1
1008 1 58 PRO QB 1 60 ALA H 4.450 2.680 7.110 4.822 4.652 5.051 . 0 0 "[ . 1 . 2]" 1
1009 1 58 PRO QD 1 59 ARG H 3.430 2.340 5.070 2.924 2.763 3.064 . 0 0 "[ . 1 . 2]" 1
1010 1 59 ARG H 1 59 ARG QB 2.780 2.130 3.750 2.367 2.222 2.508 . 0 0 "[ . 1 . 2]" 1
1011 1 59 ARG H 1 59 ARG QD 3.910 2.500 6.020 4.002 2.456 4.599 0.044 10 0 "[ . 1 . 2]" 1
1012 1 59 ARG HA 1 59 ARG QG 3.260 2.290 4.710 2.463 2.413 2.519 . 0 0 "[ . 1 . 2]" 1
1013 1 59 ARG HA 1 59 ARG QD 3.910 2.500 6.020 3.816 2.763 4.303 . 0 0 "[ . 1 . 2]" 1
1014 1 59 ARG QB 1 60 ALA HA 3.880 2.490 5.970 4.292 3.995 4.529 . 0 0 "[ . 1 . 2]" 1
1015 1 61 LYS HA 1 61 LYS QD 3.940 2.510 6.080 3.505 2.492 4.633 0.018 17 0 "[ . 1 . 2]" 1
1016 1 61 LYS HA 1 64 GLN QG 3.840 2.480 5.880 3.122 2.499 4.376 . 0 0 "[ . 1 . 2]" 1
1017 1 61 LYS QB 1 62 TRP HA 3.550 2.380 5.300 4.159 3.878 4.522 . 0 0 "[ . 1 . 2]" 1
1018 1 62 TRP H 1 62 TRP QB 3.020 2.200 4.240 2.506 2.409 2.637 . 0 0 "[ . 1 . 2]" 1
1019 1 62 TRP HE3 1 66 LEU QD 3.750 2.450 5.700 2.697 2.340 3.806 0.110 15 0 "[ . 1 . 2]" 1
1020 1 62 TRP HZ3 1 66 LEU QD 3.220 2.270 4.650 2.448 2.231 3.238 0.039 9 0 "[ . 1 . 2]" 1
1021 1 63 LEU CA 1 66 LEU QD 4.470 2.690 7.140 3.399 3.086 3.978 . 0 0 "[ . 1 . 2]" 1
1022 1 63 LEU HA 1 66 LEU QB 3.680 2.430 5.560 2.818 2.362 3.158 0.068 3 0 "[ . 1 . 2]" 1
1023 1 63 LEU HA 1 66 LEU QD 3.870 2.490 5.940 2.548 2.337 3.108 0.153 10 0 "[ . 1 . 2]" 1
1024 1 63 LEU QD 1 66 LEU QB 4.450 2.680 7.110 2.668 2.544 2.982 0.136 8 0 "[ . 1 . 2]" 1
1025 1 63 LEU QD 1 66 LEU QD 3.890 2.490 5.980 2.575 1.809 3.395 0.681 3 2 "[ + - 1 . 2]" 1
1026 1 63 LEU CD1 1 66 LEU QD 3.490 2.360 5.190 3.527 2.687 4.422 . 0 0 "[ . 1 . 2]" 1
1027 1 64 GLN H 1 64 GLN QG 2.780 2.130 3.760 2.690 2.201 4.001 0.241 2 0 "[ . 1 . 2]" 1
1028 1 64 GLN HA 1 67 LEU QB 3.820 2.470 5.840 2.499 2.408 2.745 0.062 5 0 "[ . 1 . 2]" 1
1029 1 64 GLN QB 1 65 ARG H 2.810 2.140 3.820 2.735 2.537 2.933 . 0 0 "[ . 1 . 2]" 1
1030 1 64 GLN QB 1 67 LEU HG 3.970 2.530 6.140 5.087 4.868 5.314 . 0 0 "[ . 1 . 2]" 1
1031 1 64 GLN QB 1 67 LEU QD 4.120 2.580 6.440 3.975 3.717 4.074 . 0 0 "[ . 1 . 2]" 1
1032 1 64 GLN QE 1 64 GLN QG 2.780 2.220 3.750 2.149 2.118 2.175 0.102 9 0 "[ . 1 . 2]" 1
1033 1 64 GLN QE 1 67 LEU QB 3.790 2.460 5.780 4.168 3.984 4.367 . 0 0 "[ . 1 . 2]" 1
1034 1 65 ARG H 1 65 ARG QB 2.620 2.070 3.450 2.449 2.280 2.546 . 0 0 "[ . 1 . 2]" 1
1035 1 65 ARG H 1 65 ARG QG 2.940 2.180 4.080 2.356 2.195 3.595 . 0 0 "[ . 1 . 2]" 1
1036 1 65 ARG H 1 65 ARG QD 3.990 2.530 6.180 3.836 2.395 4.495 0.135 5 0 "[ . 1 . 2]" 1
1037 1 65 ARG HA 1 68 ARG QB 3.860 2.480 5.920 3.173 2.506 4.761 . 0 0 "[ . 1 . 2]" 1
1038 1 65 ARG QB 1 66 LEU H 2.840 2.150 3.880 2.586 2.320 2.972 . 0 0 "[ . 1 . 2]" 1
1039 1 66 LEU H 1 66 LEU QB 2.840 2.150 3.880 2.386 2.208 2.547 . 0 0 "[ . 1 . 2]" 1
1040 1 66 LEU H 1 66 LEU QD 3.200 2.260 4.600 2.830 2.228 3.811 0.032 8 0 "[ . 1 . 2]" 1
1041 1 66 LEU HA 1 66 LEU QD 3.130 2.250 4.460 2.310 2.160 2.664 0.090 20 0 "[ . 1 . 2]" 1
1042 1 66 LEU HA 1 70 VAL QG 3.980 2.520 6.160 3.476 2.924 4.008 . 0 0 "[ . 1 . 2]" 1
1043 1 66 LEU QB 1 67 LEU H 3.280 2.300 4.760 2.607 2.387 2.801 . 0 0 "[ . 1 . 2]" 1
1044 1 66 LEU QD 1 67 LEU H 3.840 2.480 5.880 4.023 3.809 4.183 . 0 0 "[ . 1 . 2]" 1
1045 1 66 LEU QD 1 67 LEU QD 3.580 2.390 5.360 4.197 3.176 4.503 . 0 0 "[ . 1 . 2]" 1
1046 1 66 LEU QD 1 70 VAL CG1 4.430 2.680 7.060 4.633 2.990 5.897 . 0 0 "[ . 1 . 2]" 1
1047 1 67 LEU H 1 67 LEU QB 3.130 2.250 4.460 2.492 2.435 2.538 . 0 0 "[ . 1 . 2]" 1
1048 1 67 LEU CA 1 70 VAL QG 3.860 2.480 5.920 2.947 2.830 3.162 . 0 0 "[ . 1 . 2]" 1
1049 1 67 LEU HA 1 70 VAL QG 3.170 2.250 4.540 2.368 2.207 2.639 0.043 12 0 "[ . 1 . 2]" 1
1050 1 67 LEU QB 1 68 ARG H 2.860 2.150 3.920 2.734 2.445 2.918 . 0 0 "[ . 1 . 2]" 1
1051 1 67 LEU QB 1 70 VAL QG 3.990 2.530 6.180 3.812 3.535 4.117 . 0 0 "[ . 1 . 2]" 1
1052 1 67 LEU QB 1 71 GLN QE 4.020 2.540 6.240 3.976 2.873 5.875 . 0 0 "[ . 1 . 2]" 1
1053 1 67 LEU QD 1 71 GLN QE 3.620 2.680 5.440 4.704 3.628 6.437 0.997 17 2 "[ . - . + 2]" 1
1054 1 67 LEU QD 1 70 VAL QG 3.190 2.270 4.580 3.197 2.973 3.448 . 0 0 "[ . 1 . 2]" 1
1055 1 67 LEU CD2 1 70 VAL QG 3.550 2.380 5.310 4.136 3.855 4.445 . 0 0 "[ . 1 . 2]" 1
1056 1 68 ARG H 1 68 ARG QB 2.660 2.080 3.520 2.378 2.181 2.684 . 0 0 "[ . 1 . 2]" 1
1057 1 68 ARG H 1 68 ARG QG 3.410 2.340 5.020 3.222 2.305 4.070 0.035 18 0 "[ . 1 . 2]" 1
1058 1 68 ARG HA 1 68 ARG QD 4.020 2.540 6.240 3.694 2.297 4.371 0.243 2 0 "[ . 1 . 2]" 1
1059 1 68 ARG HA 1 71 GLN QB 3.720 2.440 5.640 3.207 2.396 4.594 0.044 5 0 "[ . 1 . 2]" 1
1060 1 68 ARG HA 1 71 GLN QE 4.000 2.540 6.200 3.207 2.388 5.090 0.152 10 0 "[ . 1 . 2]" 1
1061 1 68 ARG QB 1 69 HIS H 3.350 2.310 4.900 2.828 2.424 3.744 . 0 0 "[ . 1 . 2]" 1
1062 1 69 HIS H 1 69 HIS QB 3.050 2.210 4.300 2.295 2.237 2.350 . 0 0 "[ . 1 . 2]" 1
1063 1 69 HIS QB 1 70 VAL H 3.430 2.340 5.070 2.823 2.501 3.252 . 0 0 "[ . 1 . 2]" 1
1064 1 70 VAL H 1 70 VAL QG 2.930 2.180 4.050 1.996 1.947 2.032 0.233 10 0 "[ . 1 . 2]" 1
1065 1 70 VAL QG 1 71 GLN H 3.720 2.440 5.640 2.612 2.210 3.035 0.230 10 0 "[ . 1 . 2]" 1
1066 1 71 GLN H 1 71 GLN QG 3.320 2.300 4.840 2.830 2.145 4.027 0.155 1 0 "[ . 1 . 2]" 1
1067 1 71 GLN QB 1 71 GLN QE 3.200 2.260 4.600 2.908 1.984 3.566 0.276 15 0 "[ . 1 . 2]" 1
1068 1 71 GLN QE 1 71 GLN QG 2.860 2.150 3.920 2.310 2.133 2.745 0.017 8 0 "[ . 1 . 2]" 1
1069 1 75 LEU CA 1 75 LEU QD 3.120 2.240 4.440 2.642 2.450 2.826 . 0 0 "[ . 1 . 2]" 1
1070 1 75 LEU HA 1 75 LEU QD 3.010 2.200 4.230 2.607 2.080 3.516 0.120 5 0 "[ . 1 . 2]" 1
1071 1 78 THR HA 1 79 PRO QD 2.660 2.080 3.520 2.102 2.034 2.280 0.046 10 0 "[ . 1 . 2]" 1
1072 1 78 THR HB 1 79 PRO QD 3.700 2.430 5.600 3.106 2.380 4.529 0.050 18 0 "[ . 1 . 2]" 1
1073 1 80 GLN H 1 80 GLN QB 3.170 2.250 4.540 2.659 2.368 3.187 . 0 0 "[ . 1 . 2]" 1
1074 1 81 ALA MB 1 82 PRO QD 3.330 2.310 4.860 3.004 2.372 3.589 . 0 0 "[ . 1 . 2]" 1
1075 1 12 CYS SG 1 39 CYS SG 2.100 . 2.400 2.029 2.018 2.039 . 0 0 "[ . 1 . 2]" 1
1076 1 12 CYS SG 1 39 CYS CB 2.850 2.150 3.900 3.072 3.010 3.121 . 0 0 "[ . 1 . 2]" 1
1077 1 12 CYS CB 1 39 CYS SG 2.850 2.150 3.900 3.059 2.998 3.105 . 0 0 "[ . 1 . 2]" 1
1078 1 14 CYS SG 1 55 CYS SG 2.100 . 2.400 2.028 2.015 2.036 . 0 0 "[ . 1 . 2]" 1
1079 1 14 CYS SG 1 55 CYS CB 2.850 2.150 3.900 3.022 2.939 3.064 . 0 0 "[ . 1 . 2]" 1
1080 1 14 CYS CB 1 55 CYS SG 2.850 2.150 3.900 3.048 3.007 3.087 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 38
_Distance_constraint_stats_list.Viol_count 173
_Distance_constraint_stats_list.Viol_total 163.793
_Distance_constraint_stats_list.Viol_max 0.167
_Distance_constraint_stats_list.Viol_rms 0.0249
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0108
_Distance_constraint_stats_list.Viol_average_violations_only 0.0473
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ILE 0.141 0.103 3 0 "[ . 1 . 2]"
1 4 GLU 0.561 0.121 15 0 "[ . 1 . 2]"
1 18 ILE 0.053 0.031 7 0 "[ . 1 . 2]"
1 23 GLY 1.590 0.075 1 0 "[ . 1 . 2]"
1 26 ILE 0.850 0.075 1 0 "[ . 1 . 2]"
1 27 ILE 0.739 0.064 2 0 "[ . 1 . 2]"
1 29 ARG 0.980 0.076 7 0 "[ . 1 . 2]"
1 30 ILE 0.141 0.103 3 0 "[ . 1 . 2]"
1 31 GLN 0.099 0.029 4 0 "[ . 1 . 2]"
1 32 VAL 0.561 0.121 15 0 "[ . 1 . 2]"
1 33 THR 1.486 0.167 9 0 "[ . 1 . 2]"
1 43 GLU 1.486 0.167 9 0 "[ . 1 . 2]"
1 44 VAL 0.004 0.004 15 0 "[ . 1 . 2]"
1 45 VAL 0.099 0.029 4 0 "[ . 1 . 2]"
1 46 ILE 0.071 0.042 3 0 "[ . 1 . 2]"
1 47 TRP 0.980 0.076 7 0 "[ . 1 . 2]"
1 48 THR 1.430 0.131 17 0 "[ . 1 . 2]"
1 52 LYS 1.430 0.131 17 0 "[ . 1 . 2]"
1 54 ILE 0.071 0.042 3 0 "[ . 1 . 2]"
1 55 CYS 0.053 0.031 7 0 "[ . 1 . 2]"
1 56 VAL 0.004 0.004 15 0 "[ . 1 . 2]"
1 63 LEU 0.015 0.015 6 0 "[ . 1 . 2]"
1 64 GLN 1.046 0.114 20 0 "[ . 1 . 2]"
1 65 ARG 0.712 0.078 5 0 "[ . 1 . 2]"
1 67 LEU 0.015 0.015 6 0 "[ . 1 . 2]"
1 68 ARG 1.046 0.114 20 0 "[ . 1 . 2]"
1 69 HIS 0.712 0.078 5 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 GLU H 1 30 ILE O 1.950 . 2.100 1.997 1.911 2.080 . 0 0 "[ . 1 . 2]" 2
2 1 4 GLU N 1 30 ILE O 2.700 2.100 3.600 2.901 2.788 3.020 . 0 0 "[ . 1 . 2]" 2
3 1 18 ILE H 1 55 CYS O 1.950 . 2.100 2.041 1.939 2.131 0.031 7 0 "[ . 1 . 2]" 2
4 1 18 ILE N 1 55 CYS O 2.700 2.100 3.600 2.885 2.702 3.064 . 0 0 "[ . 1 . 2]" 2
5 1 23 GLY O 1 26 ILE H 1.950 . 2.100 2.142 2.087 2.175 0.075 1 0 "[ . 1 . 2]" 2
6 1 23 GLY O 1 26 ILE N 2.700 2.100 3.600 2.943 2.852 3.020 . 0 0 "[ . 1 . 2]" 2
7 1 23 GLY O 1 27 ILE H 1.950 . 2.100 2.137 2.092 2.164 0.064 2 0 "[ . 1 . 2]" 2
8 1 23 GLY O 1 27 ILE N 2.700 2.100 3.600 2.957 2.852 3.027 . 0 0 "[ . 1 . 2]" 2
9 1 29 ARG H 1 47 TRP O 1.950 . 2.100 2.103 1.995 2.174 0.074 11 0 "[ . 1 . 2]" 2
10 1 29 ARG N 1 47 TRP O 2.700 2.100 3.600 3.061 2.927 3.148 . 0 0 "[ . 1 . 2]" 2
11 1 2 ILE O 1 30 ILE H 1.950 . 2.100 2.054 1.951 2.203 0.103 3 0 "[ . 1 . 2]" 2
12 1 2 ILE O 1 30 ILE N 2.700 2.100 3.600 2.972 2.808 3.136 . 0 0 "[ . 1 . 2]" 2
13 1 31 GLN H 1 45 VAL O 1.950 . 2.100 2.018 1.964 2.123 0.023 5 0 "[ . 1 . 2]" 2
14 1 31 GLN N 1 45 VAL O 2.700 2.100 3.600 2.938 2.777 3.025 . 0 0 "[ . 1 . 2]" 2
15 1 4 GLU O 1 32 VAL H 1.950 . 2.100 2.115 2.011 2.221 0.121 15 0 "[ . 1 . 2]" 2
16 1 4 GLU O 1 32 VAL N 2.700 2.100 3.600 3.038 2.919 3.164 . 0 0 "[ . 1 . 2]" 2
17 1 33 THR H 1 43 GLU O 1.950 . 2.100 2.084 1.941 2.173 0.073 4 0 "[ . 1 . 2]" 2
18 1 33 THR N 1 43 GLU O 2.700 2.100 3.600 2.939 2.822 3.048 . 0 0 "[ . 1 . 2]" 2
19 1 33 THR O 1 43 GLU H 1.950 . 2.100 2.139 2.005 2.267 0.167 9 0 "[ . 1 . 2]" 2
20 1 33 THR O 1 43 GLU N 2.700 2.100 3.600 3.077 2.935 3.200 . 0 0 "[ . 1 . 2]" 2
21 1 31 GLN O 1 45 VAL H 1.950 . 2.100 2.032 1.926 2.129 0.029 4 0 "[ . 1 . 2]" 2
22 1 31 GLN O 1 45 VAL N 2.700 2.100 3.600 2.897 2.810 2.981 . 0 0 "[ . 1 . 2]" 2
23 1 46 ILE H 1 54 ILE O 1.950 . 2.100 2.006 1.913 2.120 0.020 5 0 "[ . 1 . 2]" 2
24 1 46 ILE N 1 54 ILE O 2.700 2.100 3.600 2.847 2.761 2.980 . 0 0 "[ . 1 . 2]" 2
25 1 29 ARG O 1 47 TRP H 1.950 . 2.100 2.110 1.993 2.176 0.076 7 0 "[ . 1 . 2]" 2
26 1 29 ARG O 1 47 TRP N 2.700 2.100 3.600 2.913 2.837 2.962 . 0 0 "[ . 1 . 2]" 2
27 1 48 THR H 1 52 LYS O 1.950 . 2.100 2.172 2.125 2.231 0.131 17 0 "[ . 1 . 2]" 2
28 1 48 THR N 1 52 LYS O 2.700 2.100 3.600 3.129 3.071 3.181 . 0 0 "[ . 1 . 2]" 2
29 1 46 ILE O 1 54 ILE H 1.950 . 2.100 2.026 1.954 2.142 0.042 3 0 "[ . 1 . 2]" 2
30 1 46 ILE O 1 54 ILE N 2.700 2.100 3.600 2.950 2.843 3.057 . 0 0 "[ . 1 . 2]" 2
31 1 44 VAL O 1 56 VAL H 1.950 . 2.100 2.027 1.939 2.104 0.004 15 0 "[ . 1 . 2]" 2
32 1 44 VAL O 1 56 VAL N 2.700 2.100 3.600 2.973 2.903 3.068 . 0 0 "[ . 1 . 2]" 2
33 1 63 LEU O 1 67 LEU H 1.950 . 2.100 1.974 1.910 2.115 0.015 6 0 "[ . 1 . 2]" 2
34 1 63 LEU O 1 67 LEU N 2.700 2.100 3.600 2.883 2.736 3.049 . 0 0 "[ . 1 . 2]" 2
35 1 64 GLN O 1 68 ARG H 1.950 . 2.100 2.152 2.098 2.214 0.114 20 0 "[ . 1 . 2]" 2
36 1 64 GLN O 1 68 ARG N 2.700 2.100 3.600 3.037 2.851 3.165 . 0 0 "[ . 1 . 2]" 2
37 1 65 ARG O 1 69 HIS H 1.950 . 2.100 2.134 2.077 2.178 0.078 5 0 "[ . 1 . 2]" 2
38 1 65 ARG O 1 69 HIS N 2.700 2.100 3.600 2.946 2.780 3.035 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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