NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
466174 |
2rqg   |
10019 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rqg
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 1496
_Distance_constraint_stats_list.Viol_count 1410
_Distance_constraint_stats_list.Viol_total 716.485
_Distance_constraint_stats_list.Viol_max 0.301
_Distance_constraint_stats_list.Viol_rms 0.0083
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0254
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 0.160 0.024 8 0 "[ . 1 . 2]"
1 2 PHE 0.995 0.064 2 0 "[ . 1 . 2]"
1 4 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLN 0.576 0.065 2 0 "[ . 1 . 2]"
1 6 LEU 2.660 0.118 1 0 "[ . 1 . 2]"
1 7 ASN 0.146 0.054 4 0 "[ . 1 . 2]"
1 8 VAL 1.981 0.093 12 0 "[ . 1 . 2]"
1 9 ASN 0.086 0.031 12 0 "[ . 1 . 2]"
1 10 ALA 0.886 0.054 4 0 "[ . 1 . 2]"
1 11 LYS 0.040 0.031 12 0 "[ . 1 . 2]"
1 12 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 PHE 2.550 0.081 9 0 "[ . 1 . 2]"
1 14 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 PRO 0.005 0.003 10 0 "[ . 1 . 2]"
1 16 ASN 0.017 0.012 13 0 "[ . 1 . 2]"
1 17 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 GLU 0.007 0.007 10 0 "[ . 1 . 2]"
2 4 PRO 0.011 0.007 10 0 "[ . 1 . 2]"
2 5 LEU 0.655 0.076 4 0 "[ . 1 . 2]"
2 6 THR 0.478 0.091 14 0 "[ . 1 . 2]"
2 7 ALA 0.329 0.173 14 0 "[ . 1 . 2]"
2 8 SER 0.187 0.173 14 0 "[ . 1 . 2]"
2 9 MET 0.601 0.083 19 0 "[ . 1 . 2]"
2 10 LEU 0.751 0.048 18 0 "[ . 1 . 2]"
2 11 ALA 0.172 0.040 18 0 "[ . 1 . 2]"
2 12 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 ALA 0.239 0.036 3 0 "[ . 1 . 2]"
2 14 PRO 0.036 0.012 5 0 "[ . 1 . 2]"
2 15 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 16 GLN 0.195 0.042 8 0 "[ . 1 . 2]"
2 17 GLU 0.789 0.207 6 0 "[ . 1 . 2]"
2 18 GLN 0.790 0.052 18 0 "[ . 1 . 2]"
2 19 LYS 0.122 0.029 18 0 "[ . 1 . 2]"
2 20 GLN 0.130 0.056 9 0 "[ . 1 . 2]"
2 21 MET 0.690 0.055 5 0 "[ . 1 . 2]"
2 22 LEU 0.652 0.037 2 0 "[ . 1 . 2]"
2 23 GLY 0.508 0.048 16 0 "[ . 1 . 2]"
2 24 GLU 1.372 0.081 9 0 "[ . 1 . 2]"
2 25 ARG 0.372 0.097 6 0 "[ . 1 . 2]"
2 26 LEU 0.250 0.027 10 0 "[ . 1 . 2]"
2 27 PHE 0.121 0.027 14 0 "[ . 1 . 2]"
2 28 PRO 0.400 0.062 3 0 "[ . 1 . 2]"
2 29 LEU 0.535 0.057 3 0 "[ . 1 . 2]"
2 30 ILE 2.882 0.301 16 0 "[ . 1 . 2]"
2 31 GLN 3.070 0.301 16 0 "[ . 1 . 2]"
2 32 ALA 0.046 0.030 12 0 "[ . 1 . 2]"
2 33 MET 1.375 0.069 4 0 "[ . 1 . 2]"
2 34 HIS 0.455 0.037 12 0 "[ . 1 . 2]"
2 35 PRO 0.223 0.033 9 0 "[ . 1 . 2]"
2 36 THR 0.426 0.033 9 0 "[ . 1 . 2]"
2 37 LEU 0.170 0.028 7 0 "[ . 1 . 2]"
2 38 ALA 2.161 0.113 20 0 "[ . 1 . 2]"
2 39 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 40 LYS 0.470 0.141 20 0 "[ . 1 . 2]"
2 41 ILE 0.955 0.048 8 0 "[ . 1 . 2]"
2 42 THR 0.691 0.065 12 0 "[ . 1 . 2]"
2 43 GLY 0.425 0.048 19 0 "[ . 1 . 2]"
2 44 MET 0.749 0.054 11 0 "[ . 1 . 2]"
2 45 LEU 3.174 0.125 20 0 "[ . 1 . 2]"
2 46 LEU 0.476 0.056 9 0 "[ . 1 . 2]"
2 47 GLU 0.028 0.012 13 0 "[ . 1 . 2]"
2 48 ILE 4.749 0.155 2 0 "[ . 1 . 2]"
2 49 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 50 ASN 0.415 0.048 18 0 "[ . 1 . 2]"
2 51 SER 0.896 0.073 17 0 "[ . 1 . 2]"
2 52 GLU 0.797 0.120 17 0 "[ . 1 . 2]"
2 53 LEU 6.052 0.155 2 0 "[ . 1 . 2]"
2 54 LEU 0.383 0.039 16 0 "[ . 1 . 2]"
2 55 HIS 0.150 0.022 11 0 "[ . 1 . 2]"
2 56 MET 2.010 0.120 17 0 "[ . 1 . 2]"
2 57 LEU 0.279 0.031 8 0 "[ . 1 . 2]"
2 58 GLU 0.299 0.047 20 0 "[ . 1 . 2]"
2 59 SER 0.573 0.048 11 0 "[ . 1 . 2]"
2 60 PRO 0.163 0.032 9 0 "[ . 1 . 2]"
2 61 GLU 0.020 0.013 12 0 "[ . 1 . 2]"
2 62 SER 0.029 0.013 12 0 "[ . 1 . 2]"
2 63 LEU 2.151 0.069 4 0 "[ . 1 . 2]"
2 64 ARG 0.630 0.060 15 0 "[ . 1 . 2]"
2 65 SER 0.214 0.060 15 0 "[ . 1 . 2]"
2 66 LYS 0.344 0.026 14 0 "[ . 1 . 2]"
2 67 VAL 1.499 0.043 14 0 "[ . 1 . 2]"
2 68 ASP 0.842 0.041 20 0 "[ . 1 . 2]"
2 69 GLU 0.010 0.008 13 0 "[ . 1 . 2]"
2 70 ALA 2.485 0.125 20 0 "[ . 1 . 2]"
2 71 VAL 1.162 0.043 14 0 "[ . 1 . 2]"
2 72 ALA 0.106 0.041 1 0 "[ . 1 . 2]"
2 73 VAL 3.408 0.118 1 0 "[ . 1 . 2]"
2 74 LEU 1.253 0.075 17 0 "[ . 1 . 2]"
2 75 GLN 0.183 0.064 1 0 "[ . 1 . 2]"
2 76 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 77 HIS 0.052 0.010 6 0 "[ . 1 . 2]"
2 78 GLN 0.078 0.024 16 0 "[ . 1 . 2]"
2 79 ALA 0.015 0.009 19 0 "[ . 1 . 2]"
2 80 LYS 0.084 0.013 3 0 "[ . 1 . 2]"
2 81 GLU 0.015 0.007 8 0 "[ . 1 . 2]"
2 82 ALA 0.000 0.000 9 0 "[ . 1 . 2]"
2 83 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 18 HIS H 1 19 ALA H . . 4.180 2.656 1.991 3.767 . 0 0 "[ . 1 . 2]" 1
2 1 13 PHE QD 1 14 VAL H . . 3.680 2.588 2.489 2.893 . 0 0 "[ . 1 . 2]" 1
3 1 13 PHE HA 1 14 VAL H . . 2.820 2.715 2.609 2.737 . 0 0 "[ . 1 . 2]" 1
4 1 13 PHE QB 1 14 VAL H . . 3.970 1.947 1.919 2.086 . 0 0 "[ . 1 . 2]" 1
5 1 14 VAL H 1 14 VAL MG1 . . 3.890 3.476 1.923 3.849 . 0 0 "[ . 1 . 2]" 1
6 1 14 VAL H 1 14 VAL MG2 . . 3.890 2.589 1.897 3.799 . 0 0 "[ . 1 . 2]" 1
7 1 10 ALA H 1 11 LYS H . . 4.560 4.501 4.457 4.566 0.006 12 0 "[ . 1 . 2]" 1
8 1 10 ALA HA 1 11 LYS H . . 2.630 2.143 2.140 2.161 . 0 0 "[ . 1 . 2]" 1
9 1 10 ALA MB 1 11 LYS H . . 3.400 3.221 3.107 3.303 . 0 0 "[ . 1 . 2]" 1
10 1 11 LYS H 1 11 LYS QB . . 2.840 2.318 2.104 2.640 . 0 0 "[ . 1 . 2]" 1
11 1 9 ASN H 1 10 ALA H . . 3.110 2.535 2.476 2.567 . 0 0 "[ . 1 . 2]" 1
12 1 9 ASN HB3 1 10 ALA H . . 3.880 3.781 3.544 3.907 0.027 8 0 "[ . 1 . 2]" 1
13 1 10 ALA H 1 10 ALA MB . . 2.700 2.097 2.032 2.213 . 0 0 "[ . 1 . 2]" 1
14 1 9 ASN HB2 1 10 ALA H . . 3.750 3.376 3.137 3.676 . 0 0 "[ . 1 . 2]" 1
15 1 13 PHE H 1 14 VAL H . . 4.390 4.336 4.330 4.361 . 0 0 "[ . 1 . 2]" 1
16 1 13 PHE H 1 13 PHE QD . . 4.140 2.624 2.558 2.686 . 0 0 "[ . 1 . 2]" 1
17 1 12 PRO HD2 1 13 PHE H . . 4.490 3.566 3.552 3.584 . 0 0 "[ . 1 . 2]" 1
18 1 13 PHE H 1 13 PHE QB . . 3.440 3.287 3.269 3.294 . 0 0 "[ . 1 . 2]" 1
19 1 5 GLN H 1 6 LEU H . . 4.760 4.497 4.131 4.646 . 0 0 "[ . 1 . 2]" 1
20 1 5 GLN QG 1 6 LEU H . . 4.270 2.454 1.939 3.301 . 0 0 "[ . 1 . 2]" 1
21 1 6 LEU H 1 6 LEU HG . . 3.560 1.984 1.929 2.106 . 0 0 "[ . 1 . 2]" 1
22 1 6 LEU H 1 6 LEU MD2 . . 3.680 3.565 3.197 3.685 0.005 12 0 "[ . 1 . 2]" 1
23 1 8 VAL H 1 10 ALA H . . 4.620 4.100 3.907 4.439 . 0 0 "[ . 1 . 2]" 1
24 1 7 ASN HB3 1 8 VAL H . . 4.350 4.134 3.968 4.216 . 0 0 "[ . 1 . 2]" 1
25 1 7 ASN HB2 1 8 VAL H . . 4.350 3.335 3.035 4.039 . 0 0 "[ . 1 . 2]" 1
26 1 8 VAL H 1 8 VAL HB . . 3.400 2.711 2.555 2.861 . 0 0 "[ . 1 . 2]" 1
27 1 5 GLN H 1 5 GLN QG . . 4.080 3.779 2.579 4.124 0.044 12 0 "[ . 1 . 2]" 1
28 1 5 GLN H 1 5 GLN QB . . 3.710 2.439 2.182 3.219 . 0 0 "[ . 1 . 2]" 1
29 1 15 PRO HA 1 16 ASN H . . 2.930 2.554 2.500 2.644 . 0 0 "[ . 1 . 2]" 1
30 1 16 ASN H 1 16 ASN QB . . 3.180 2.605 2.371 3.062 . 0 0 "[ . 1 . 2]" 1
31 1 15 PRO HB2 1 16 ASN H . . 4.000 2.257 2.062 2.374 . 0 0 "[ . 1 . 2]" 1
32 1 15 PRO HB3 1 16 ASN H . . 4.000 3.286 3.205 3.338 . 0 0 "[ . 1 . 2]" 1
33 1 16 ASN H 1 17 VAL H . . 3.750 2.801 2.400 3.744 . 0 0 "[ . 1 . 2]" 1
34 1 16 ASN HA 1 17 VAL H . . 3.170 2.826 2.413 2.974 . 0 0 "[ . 1 . 2]" 1
35 1 16 ASN QB 1 17 VAL H . . 4.180 3.899 3.739 4.051 . 0 0 "[ . 1 . 2]" 1
36 1 17 VAL H 1 17 VAL MG1 . . 4.050 3.200 2.015 3.896 . 0 0 "[ . 1 . 2]" 1
37 1 17 VAL H 1 17 VAL MG2 . . 4.050 2.799 1.941 4.038 . 0 0 "[ . 1 . 2]" 1
38 1 6 LEU MD1 1 7 ASN H . . 4.120 2.846 2.622 3.261 . 0 0 "[ . 1 . 2]" 1
39 1 6 LEU HA 1 7 ASN H . . 3.160 2.611 2.453 2.656 . 0 0 "[ . 1 . 2]" 1
40 1 7 ASN H 1 7 ASN HB2 . . 3.810 3.511 2.888 3.739 . 0 0 "[ . 1 . 2]" 1
41 1 7 ASN H 1 7 ASN HB3 . . 3.810 2.778 2.355 3.147 . 0 0 "[ . 1 . 2]" 1
42 1 6 LEU QB 1 7 ASN H . . 3.860 1.981 1.912 2.271 . 0 0 "[ . 1 . 2]" 1
43 1 6 LEU HG 1 7 ASN H . . 4.620 4.342 4.092 4.622 0.002 19 0 "[ . 1 . 2]" 1
44 1 1 ALA MB 1 2 PHE H . . 4.190 2.631 1.924 3.336 . 0 0 "[ . 1 . 2]" 1
45 1 8 VAL H 1 9 ASN H . . 3.520 2.328 2.217 2.534 . 0 0 "[ . 1 . 2]" 1
46 1 9 ASN H 1 9 ASN HA . . 2.910 2.848 2.842 2.877 . 0 0 "[ . 1 . 2]" 1
47 1 9 ASN H 1 9 ASN HB3 . . 3.500 3.467 3.393 3.500 0.000 3 0 "[ . 1 . 2]" 1
48 1 9 ASN H 1 9 ASN HB2 . . 3.250 2.163 2.111 2.195 . 0 0 "[ . 1 . 2]" 1
49 1 9 ASN H 1 10 ALA MB . . 4.360 4.125 4.023 4.201 . 0 0 "[ . 1 . 2]" 1
50 1 9 ASN HB2 1 9 ASN HD21 . . 3.470 2.425 2.154 2.743 . 0 0 "[ . 1 . 2]" 1
51 1 9 ASN HB2 1 9 ASN HD22 . . 3.810 3.559 3.449 3.696 . 0 0 "[ . 1 . 2]" 1
52 1 7 ASN HD22 1 10 ALA HA . . 4.410 3.086 2.257 3.900 . 0 0 "[ . 1 . 2]" 1
53 1 7 ASN HD22 1 10 ALA MB . . 4.280 2.539 1.979 3.542 . 0 0 "[ . 1 . 2]" 1
54 1 7 ASN HD21 1 10 ALA MB . . 4.280 2.934 2.487 3.414 . 0 0 "[ . 1 . 2]" 1
55 1 7 ASN HD21 1 10 ALA HA . . 4.410 3.497 3.037 4.002 . 0 0 "[ . 1 . 2]" 1
56 1 16 ASN QB 1 16 ASN HD22 . . 3.780 3.287 3.213 3.402 . 0 0 "[ . 1 . 2]" 1
57 1 15 PRO HD2 1 16 ASN H . . 5.500 5.452 5.362 5.503 0.003 10 0 "[ . 1 . 2]" 1
58 1 15 PRO HD3 1 16 ASN H . . 5.500 5.446 5.383 5.481 . 0 0 "[ . 1 . 2]" 1
59 1 12 PRO HD3 1 13 PHE H . . 4.490 4.271 4.263 4.280 . 0 0 "[ . 1 . 2]" 1
60 1 9 ASN HB3 1 11 LYS H . . 5.500 5.385 5.217 5.531 0.031 12 0 "[ . 1 . 2]" 1
61 1 2 PHE H 1 2 PHE HB2 . . 3.810 3.395 2.113 3.817 0.007 15 0 "[ . 1 . 2]" 1
62 1 2 PHE H 1 2 PHE HB3 . . 3.810 3.400 2.718 3.830 0.020 1 0 "[ . 1 . 2]" 1
63 1 8 VAL H 1 8 VAL MG1 . . 3.290 2.023 1.910 2.241 . 0 0 "[ . 1 . 2]" 1
64 1 9 ASN HD21 1 10 ALA H . . 5.040 4.768 4.482 5.018 . 0 0 "[ . 1 . 2]" 1
65 1 5 GLN QB 1 5 GLN HE22 . . 4.740 3.828 3.446 4.138 . 0 0 "[ . 1 . 2]" 1
66 1 9 ASN H 1 9 ASN HD22 . . 4.420 4.135 3.932 4.434 0.014 12 0 "[ . 1 . 2]" 1
67 1 9 ASN H 1 9 ASN HD21 . . 4.230 2.535 2.238 2.877 . 0 0 "[ . 1 . 2]" 1
68 1 6 LEU QB 1 8 VAL H . . 5.500 5.514 5.450 5.554 0.054 1 0 "[ . 1 . 2]" 1
69 1 6 LEU H 1 7 ASN H . . 4.490 4.419 4.384 4.506 0.016 17 0 "[ . 1 . 2]" 1
70 1 6 LEU H 1 6 LEU QB . . 3.200 3.027 2.863 3.112 . 0 0 "[ . 1 . 2]" 1
71 1 7 ASN H 1 8 VAL H . . 4.700 4.498 4.454 4.556 . 0 0 "[ . 1 . 2]" 1
72 1 9 ASN H 1 10 ALA HA . . 5.200 5.014 4.867 5.073 . 0 0 "[ . 1 . 2]" 1
73 1 12 PRO HA 1 13 PHE QD . . 4.330 3.376 3.324 3.472 . 0 0 "[ . 1 . 2]" 1
74 1 13 PHE QD 1 15 PRO HA . . 5.380 3.350 3.240 4.100 . 0 0 "[ . 1 . 2]" 1
75 1 2 PHE HA 1 2 PHE QD . . 3.750 3.442 2.234 3.711 . 0 0 "[ . 1 . 2]" 1
76 1 2 PHE HZ 1 6 LEU HA . . 4.800 3.602 2.431 4.431 . 0 0 "[ . 1 . 2]" 1
77 1 8 VAL MG1 1 9 ASN HA . . 4.910 3.379 3.210 3.537 . 0 0 "[ . 1 . 2]" 1
78 1 6 LEU HA 1 6 LEU MD1 . . 4.270 3.672 3.627 3.859 . 0 0 "[ . 1 . 2]" 1
79 1 5 GLN QG 1 6 LEU HA . . 4.020 3.795 3.522 4.017 . 0 0 "[ . 1 . 2]" 1
80 1 6 LEU HA 1 6 LEU MD2 . . 4.090 4.030 3.867 4.066 . 0 0 "[ . 1 . 2]" 1
81 1 17 VAL HA 1 17 VAL MG1 . . 3.530 2.529 2.199 3.203 . 0 0 "[ . 1 . 2]" 1
82 1 17 VAL HA 1 17 VAL MG2 . . 3.530 2.576 2.213 3.201 . 0 0 "[ . 1 . 2]" 1
83 1 1 ALA MB 1 2 PHE HA . . 4.310 3.998 3.702 4.184 . 0 0 "[ . 1 . 2]" 1
84 1 2 PHE HZ 1 6 LEU MD2 . . 4.710 4.346 3.313 4.766 0.056 17 0 "[ . 1 . 2]" 1
85 1 2 PHE HZ 1 6 LEU MD1 . . 5.500 4.968 3.891 5.526 0.026 10 0 "[ . 1 . 2]" 1
86 1 2 PHE HZ 1 10 ALA MB . . 5.500 5.456 4.708 5.554 0.054 4 0 "[ . 1 . 2]" 1
87 1 2 PHE HZ 1 6 LEU QB . . 5.130 2.996 1.954 3.646 . 0 0 "[ . 1 . 2]" 1
88 1 2 PHE QE 1 6 LEU QB . . 5.130 2.085 1.950 2.802 . 0 0 "[ . 1 . 2]" 1
89 1 2 PHE QD 1 6 LEU MD2 . . 4.890 4.514 3.144 4.928 0.038 4 0 "[ . 1 . 2]" 1
90 1 2 PHE QE 1 6 LEU MD2 . . 5.070 3.623 2.904 4.047 . 0 0 "[ . 1 . 2]" 1
91 1 2 PHE QE 1 6 LEU MD1 . . 4.730 4.459 4.172 4.677 . 0 0 "[ . 1 . 2]" 1
92 1 2 PHE QE 1 5 GLN QG . . 5.500 5.269 4.520 5.533 0.033 1 0 "[ . 1 . 2]" 1
93 1 13 PHE HZ 1 15 PRO HA . . 4.470 3.970 3.751 4.410 . 0 0 "[ . 1 . 2]" 1
94 1 13 PHE QE 1 15 PRO HA . . 4.400 2.216 2.078 2.944 . 0 0 "[ . 1 . 2]" 1
95 1 18 HIS HA 1 18 HIS HD1 . . 4.530 3.423 2.186 4.497 . 0 0 "[ . 1 . 2]" 1
96 1 2 PHE QD 1 5 GLN HA . . 5.500 4.956 3.717 5.564 0.064 2 0 "[ . 1 . 2]" 1
97 1 2 PHE QE 1 5 GLN HA . . 5.500 5.141 4.166 5.563 0.063 1 0 "[ . 1 . 2]" 1
98 1 2 PHE QE 1 6 LEU HA . . 4.280 2.176 1.973 3.436 . 0 0 "[ . 1 . 2]" 1
99 1 5 GLN HA 1 6 LEU QB . . 4.570 4.379 4.290 4.561 . 0 0 "[ . 1 . 2]" 1
100 1 6 LEU QB 1 7 ASN HA . . 4.480 4.325 4.284 4.398 . 0 0 "[ . 1 . 2]" 1
101 1 6 LEU QB 1 10 ALA MB . . 4.950 4.564 4.234 4.874 . 0 0 "[ . 1 . 2]" 1
102 2 71 VAL HA 2 71 VAL MG2 . . 3.140 2.404 2.387 2.423 . 0 0 "[ . 1 . 2]" 1
103 2 68 ASP HA 2 71 VAL MG2 . . 3.660 3.112 2.988 3.238 . 0 0 "[ . 1 . 2]" 1
104 2 73 VAL HA 2 73 VAL MG2 . . 2.860 2.246 2.193 2.270 . 0 0 "[ . 1 . 2]" 1
105 2 74 LEU HA 2 74 LEU MD2 . . 3.110 2.113 1.953 2.214 . 0 0 "[ . 1 . 2]" 1
106 2 71 VAL MG2 2 74 LEU MD1 . . 3.610 3.291 3.059 3.581 . 0 0 "[ . 1 . 2]" 1
107 2 71 VAL HA 2 71 VAL MG1 . . 3.320 2.347 2.282 2.403 . 0 0 "[ . 1 . 2]" 1
108 1 13 PHE QD 2 46 LEU MD2 . . 4.110 3.771 3.612 3.919 . 0 0 "[ . 1 . 2]" 1
109 2 19 LYS HA 2 46 LEU MD2 . . 4.030 3.629 3.193 3.980 . 0 0 "[ . 1 . 2]" 1
110 1 13 PHE QE 2 24 GLU HG2 . . 3.960 2.749 2.002 3.687 . 0 0 "[ . 1 . 2]" 1
111 1 13 PHE QE 2 24 GLU HG3 . . 3.960 3.212 2.032 3.968 0.008 12 0 "[ . 1 . 2]" 1
112 2 21 MET HA 2 24 GLU HG2 . . 4.790 4.731 4.378 4.845 0.055 5 0 "[ . 1 . 2]" 1
113 2 21 MET HA 2 24 GLU HG3 . . 4.790 3.949 3.536 4.476 . 0 0 "[ . 1 . 2]" 1
114 1 13 PHE QD 2 42 THR MG . . 3.300 3.288 3.182 3.365 0.065 12 0 "[ . 1 . 2]" 1
115 2 42 THR HA 2 42 THR MG . . 3.280 3.171 3.111 3.201 . 0 0 "[ . 1 . 2]" 1
116 2 39 GLY QA 2 42 THR MG . . 3.660 2.442 2.113 2.937 . 0 0 "[ . 1 . 2]" 1
117 2 48 ILE MD 2 53 LEU HA . . 4.790 4.597 4.450 4.813 0.023 20 0 "[ . 1 . 2]" 1
118 2 45 LEU HA 2 48 ILE MD . . 3.560 2.050 1.958 2.243 . 0 0 "[ . 1 . 2]" 1
119 2 48 ILE MD 2 66 LYS HE3 . . 4.010 3.181 2.826 3.432 . 0 0 "[ . 1 . 2]" 1
120 2 48 ILE MD 2 66 LYS HE2 . . 3.890 2.137 1.950 2.401 . 0 0 "[ . 1 . 2]" 1
121 2 48 ILE HB 2 48 ILE MD . . 3.210 2.289 2.228 2.384 . 0 0 "[ . 1 . 2]" 1
122 2 48 ILE MD 2 56 MET ME . . 3.200 2.595 2.249 2.940 . 0 0 "[ . 1 . 2]" 1
123 1 1 ALA HA 2 48 ILE MD . . 4.220 4.163 3.975 4.235 0.015 10 0 "[ . 1 . 2]" 1
124 1 1 ALA MB 2 48 ILE MD . . 3.440 3.280 2.555 3.464 0.024 8 0 "[ . 1 . 2]" 1
125 2 48 ILE MD 2 53 LEU HB3 . . 4.820 4.720 4.653 4.806 . 0 0 "[ . 1 . 2]" 1
126 2 30 ILE MD 2 41 ILE MD . . 4.390 3.675 3.502 4.013 . 0 0 "[ . 1 . 2]" 1
127 2 30 ILE MD 2 42 THR HB . . 3.790 1.956 1.860 2.177 . 0 0 "[ . 1 . 2]" 1
128 2 30 ILE HA 2 30 ILE MD . . 4.050 3.821 3.791 3.844 . 0 0 "[ . 1 . 2]" 1
129 2 27 PHE HA 2 30 ILE MD . . 3.940 3.365 3.154 3.560 . 0 0 "[ . 1 . 2]" 1
130 2 30 ILE MD 2 38 ALA HA . . 3.980 3.390 3.214 3.617 . 0 0 "[ . 1 . 2]" 1
131 2 30 ILE HB 2 30 ILE MD . . 3.470 2.295 2.130 2.379 . 0 0 "[ . 1 . 2]" 1
132 2 30 ILE MD 2 38 ALA MB . . 3.710 3.730 3.684 3.771 0.061 4 0 "[ . 1 . 2]" 1
133 2 30 ILE MD 2 67 VAL MG2 . . 3.500 3.497 3.364 3.535 0.035 13 0 "[ . 1 . 2]" 1
134 2 30 ILE MG 2 41 ILE MD . . 2.700 2.022 1.838 2.242 . 0 0 "[ . 1 . 2]" 1
135 2 41 ILE MD 2 67 VAL MG1 . . 3.250 2.018 1.884 2.248 . 0 0 "[ . 1 . 2]" 1
136 2 37 LEU MD2 2 41 ILE MD . . 3.640 3.534 3.404 3.631 . 0 0 "[ . 1 . 2]" 1
137 2 41 ILE MD 2 71 VAL MG1 . . 3.960 3.580 3.370 3.848 . 0 0 "[ . 1 . 2]" 1
138 2 37 LEU HB2 2 41 ILE MD . . 3.620 2.041 1.960 2.170 . 0 0 "[ . 1 . 2]" 1
139 2 41 ILE HB 2 41 ILE MD . . 2.870 2.217 2.138 2.276 . 0 0 "[ . 1 . 2]" 1
140 2 41 ILE MD 2 44 MET ME . . 4.860 4.494 4.418 4.607 . 0 0 "[ . 1 . 2]" 1
141 2 33 MET ME 2 41 ILE MD . . 5.120 4.621 4.115 5.006 . 0 0 "[ . 1 . 2]" 1
142 2 41 ILE MD 2 71 VAL HB . . 5.430 4.426 4.281 4.627 . 0 0 "[ . 1 . 2]" 1
143 2 34 HIS HB3 2 41 ILE MD . . 3.760 2.120 2.051 2.237 . 0 0 "[ . 1 . 2]" 1
144 2 41 ILE MD 2 67 VAL HB . . 4.890 4.641 4.459 4.806 . 0 0 "[ . 1 . 2]" 1
145 2 34 HIS HB2 2 41 ILE MD . . 3.800 2.190 2.092 2.445 . 0 0 "[ . 1 . 2]" 1
146 2 41 ILE MD 2 71 VAL HA . . 4.060 3.935 3.763 4.073 0.013 15 0 "[ . 1 . 2]" 1
147 2 41 ILE MD 2 67 VAL HA . . 4.400 3.496 3.332 3.608 . 0 0 "[ . 1 . 2]" 1
148 2 41 ILE HA 2 41 ILE MD . . 4.040 3.862 3.848 3.877 . 0 0 "[ . 1 . 2]" 1
149 2 38 ALA HA 2 41 ILE MD . . 3.740 2.088 1.974 2.319 . 0 0 "[ . 1 . 2]" 1
150 2 41 ILE MD 2 42 THR HB . . 5.500 5.326 5.281 5.423 . 0 0 "[ . 1 . 2]" 1
151 2 37 LEU HA 2 41 ILE MD . . 4.240 3.962 3.870 4.034 . 0 0 "[ . 1 . 2]" 1
152 2 48 ILE MD 2 48 ILE MG . . 2.850 2.224 2.025 2.351 . 0 0 "[ . 1 . 2]" 1
153 2 48 ILE HA 2 48 ILE MG . . 3.290 2.057 1.956 2.177 . 0 0 "[ . 1 . 2]" 1
154 1 1 ALA HA 2 48 ILE MG . . 4.100 3.362 2.758 4.114 0.014 5 0 "[ . 1 . 2]" 1
155 1 1 ALA MB 2 48 ILE MG . . 3.860 3.505 2.452 3.873 0.013 5 0 "[ . 1 . 2]" 1
156 2 48 ILE HG13 2 48 ILE MG . . 3.530 3.169 3.152 3.184 . 0 0 "[ . 1 . 2]" 1
157 2 48 ILE HG12 2 48 ILE MG . . 3.530 2.204 2.091 2.301 . 0 0 "[ . 1 . 2]" 1
158 2 30 ILE MG 2 38 ALA HA . . 3.170 1.951 1.911 2.006 . 0 0 "[ . 1 . 2]" 1
159 2 30 ILE HA 2 30 ILE MG . . 3.380 2.435 2.387 2.487 . 0 0 "[ . 1 . 2]" 1
160 2 30 ILE MG 2 33 MET HG3 . . 4.390 3.820 3.593 3.987 . 0 0 "[ . 1 . 2]" 1
161 2 30 ILE MG 2 34 HIS HB3 . . 4.610 3.365 3.089 3.525 . 0 0 "[ . 1 . 2]" 1
162 2 30 ILE MG 2 41 ILE HB . . 3.600 2.020 1.941 2.199 . 0 0 "[ . 1 . 2]" 1
163 2 30 ILE HG13 2 30 ILE MG . . 3.490 3.172 3.119 3.198 . 0 0 "[ . 1 . 2]" 1
164 2 30 ILE MG 2 45 LEU MD2 . . 3.900 3.780 3.583 3.912 0.012 12 0 "[ . 1 . 2]" 1
165 2 30 ILE MG 2 70 ALA MB . . 4.750 4.605 4.542 4.698 . 0 0 "[ . 1 . 2]" 1
166 2 30 ILE MG 2 33 MET HG2 . . 4.710 3.198 3.071 3.408 . 0 0 "[ . 1 . 2]" 1
167 2 30 ILE MG 2 34 HIS HB2 . . 4.410 2.620 2.429 2.757 . 0 0 "[ . 1 . 2]" 1
168 2 30 ILE MG 2 31 GLN HA . . 4.210 3.346 3.239 3.440 . 0 0 "[ . 1 . 2]" 1
169 2 41 ILE MD 2 41 ILE MG . . 2.990 2.281 2.178 2.386 . 0 0 "[ . 1 . 2]" 1
170 2 41 ILE MG 2 71 VAL MG2 . . 3.520 3.506 3.427 3.544 0.024 7 0 "[ . 1 . 2]" 1
171 2 30 ILE MD 2 41 ILE MG . . 2.810 1.882 1.856 1.960 . 0 0 "[ . 1 . 2]" 1
172 2 41 ILE MG 2 45 LEU MD2 . . 2.990 1.920 1.825 2.117 . 0 0 "[ . 1 . 2]" 1
173 2 41 ILE MG 2 67 VAL MG1 . . 3.200 2.580 2.374 2.781 . 0 0 "[ . 1 . 2]" 1
174 2 30 ILE HG13 2 41 ILE MG . . 4.270 3.838 3.508 4.064 . 0 0 "[ . 1 . 2]" 1
175 2 41 ILE MG 2 44 MET ME . . 4.510 3.553 3.479 3.665 . 0 0 "[ . 1 . 2]" 1
176 2 33 MET ME 2 41 ILE MG . . 4.760 4.356 3.826 4.638 . 0 0 "[ . 1 . 2]" 1
177 2 41 ILE MG 2 66 LYS HB3 . . 5.070 4.256 4.010 4.534 . 0 0 "[ . 1 . 2]" 1
178 2 41 ILE MG 2 67 VAL HB . . 4.390 4.250 4.133 4.394 0.004 3 0 "[ . 1 . 2]" 1
179 2 33 MET HG3 2 41 ILE MG . . 5.500 5.210 4.940 5.487 . 0 0 "[ . 1 . 2]" 1
180 2 34 HIS HB3 2 41 ILE MG . . 5.500 4.854 4.456 5.098 . 0 0 "[ . 1 . 2]" 1
181 2 34 HIS HB2 2 41 ILE MG . . 4.420 4.155 3.928 4.311 . 0 0 "[ . 1 . 2]" 1
182 2 41 ILE MG 2 42 THR HB . . 4.090 4.025 3.913 4.095 0.005 6 0 "[ . 1 . 2]" 1
183 2 41 ILE MG 2 67 VAL HA . . 3.760 2.166 2.055 2.256 . 0 0 "[ . 1 . 2]" 1
184 2 41 ILE HA 2 41 ILE MG . . 3.430 2.420 2.407 2.439 . 0 0 "[ . 1 . 2]" 1
185 2 38 ALA HA 2 41 ILE MG . . 3.960 3.838 3.555 3.984 0.024 10 0 "[ . 1 . 2]" 1
186 2 71 VAL MG1 2 74 LEU HB2 . . 3.840 3.514 3.363 3.684 . 0 0 "[ . 1 . 2]" 1
187 2 71 VAL MG1 2 74 LEU HG . . 4.460 3.910 3.634 4.371 . 0 0 "[ . 1 . 2]" 1
188 2 71 VAL MG1 2 72 ALA MB . . 4.350 4.257 4.141 4.352 0.002 11 0 "[ . 1 . 2]" 1
189 2 37 LEU HB2 2 71 VAL MG1 . . 3.970 3.228 2.826 3.647 . 0 0 "[ . 1 . 2]" 1
190 2 37 LEU MD1 2 71 VAL MG1 . . 4.220 3.861 3.536 4.219 . 0 0 "[ . 1 . 2]" 1
191 2 71 VAL MG1 2 74 LEU MD1 . . 4.400 3.150 2.806 3.612 . 0 0 "[ . 1 . 2]" 1
192 2 67 VAL MG1 2 71 VAL MG1 . . 4.470 4.432 4.395 4.477 0.007 17 0 "[ . 1 . 2]" 1
193 2 71 VAL MG1 2 72 ALA HA . . 3.940 3.649 3.424 3.766 . 0 0 "[ . 1 . 2]" 1
194 2 68 ASP HA 2 71 VAL MG1 . . 4.400 4.408 4.364 4.441 0.041 20 0 "[ . 1 . 2]" 1
195 2 29 LEU HA 2 29 LEU MD2 . . 2.800 2.056 1.968 2.136 . 0 0 "[ . 1 . 2]" 1
196 2 73 VAL HA 2 73 VAL MG1 . . 3.130 2.384 2.365 2.427 . 0 0 "[ . 1 . 2]" 1
197 1 8 VAL MG2 2 73 VAL MG1 . . 3.590 3.211 3.077 3.343 . 0 0 "[ . 1 . 2]" 1
198 1 6 LEU QB 2 73 VAL MG1 . . 4.160 4.105 3.994 4.173 0.013 7 0 "[ . 1 . 2]" 1
199 1 5 GLN QG 2 73 VAL MG1 . . 4.160 3.440 2.758 4.179 0.019 14 0 "[ . 1 . 2]" 1
200 1 13 PHE QE 2 42 THR MG . . 4.240 3.126 2.668 3.357 . 0 0 "[ . 1 . 2]" 1
201 2 69 GLU HA 2 73 VAL MG2 . . 4.360 3.988 3.896 4.122 . 0 0 "[ . 1 . 2]" 1
202 1 6 LEU HA 2 73 VAL MG2 . . 4.070 4.140 4.114 4.188 0.118 1 0 "[ . 1 . 2]" 1
203 1 5 GLN QB 2 73 VAL MG2 . . 4.100 3.732 2.665 4.165 0.065 2 0 "[ . 1 . 2]" 1
204 2 44 MET ME 2 73 VAL MG2 . . 4.230 4.177 4.095 4.246 0.016 2 0 "[ . 1 . 2]" 1
205 1 6 LEU QB 2 73 VAL MG2 . . 3.690 3.524 3.498 3.657 . 0 0 "[ . 1 . 2]" 1
206 2 72 ALA MB 2 73 VAL MG2 . . 3.450 3.238 3.140 3.331 . 0 0 "[ . 1 . 2]" 1
207 1 6 LEU HG 2 73 VAL MG2 . . 2.920 1.893 1.874 1.968 . 0 0 "[ . 1 . 2]" 1
208 1 6 LEU MD1 2 73 VAL MG2 . . 2.900 1.981 1.879 2.721 . 0 0 "[ . 1 . 2]" 1
209 2 37 LEU HB2 2 71 VAL MG2 . . 4.250 2.572 2.292 2.815 . 0 0 "[ . 1 . 2]" 1
210 2 70 ALA MB 2 71 VAL MG2 . . 3.520 2.965 2.923 3.042 . 0 0 "[ . 1 . 2]" 1
211 2 41 ILE HB 2 71 VAL MG2 . . 4.850 4.444 4.323 4.595 . 0 0 "[ . 1 . 2]" 1
212 2 71 VAL MG2 2 74 LEU HG . . 5.120 4.072 3.921 4.426 . 0 0 "[ . 1 . 2]" 1
213 2 44 MET ME 2 71 VAL MG2 . . 4.720 4.250 4.153 4.405 . 0 0 "[ . 1 . 2]" 1
214 2 67 VAL HB 2 71 VAL MG2 . . 4.440 4.453 4.397 4.481 0.041 12 0 "[ . 1 . 2]" 1
215 2 34 HIS HB3 2 71 VAL MG2 . . 4.400 3.142 3.022 3.374 . 0 0 "[ . 1 . 2]" 1
216 2 34 HIS HB2 2 71 VAL MG2 . . 4.240 3.392 3.277 3.641 . 0 0 "[ . 1 . 2]" 1
217 2 38 ALA HA 2 71 VAL MG2 . . 5.470 5.134 4.931 5.399 . 0 0 "[ . 1 . 2]" 1
218 2 67 VAL MG1 2 71 VAL MG2 . . 3.160 2.342 2.245 2.423 . 0 0 "[ . 1 . 2]" 1
219 2 45 LEU MD2 2 67 VAL MG1 . . 4.390 4.132 3.881 4.382 . 0 0 "[ . 1 . 2]" 1
220 2 63 LEU MD1 2 67 VAL MG1 . . 4.630 3.979 3.809 4.134 . 0 0 "[ . 1 . 2]" 1
221 2 30 ILE MG 2 67 VAL MG1 . . 3.190 2.357 2.013 2.506 . 0 0 "[ . 1 . 2]" 1
222 2 30 ILE HG12 2 67 VAL MG1 . . 4.440 3.926 3.519 4.249 . 0 0 "[ . 1 . 2]" 1
223 2 41 ILE HB 2 67 VAL MG1 . . 4.910 4.247 4.054 4.511 . 0 0 "[ . 1 . 2]" 1
224 2 34 HIS HB3 2 67 VAL MG1 . . 4.260 3.723 3.351 3.936 . 0 0 "[ . 1 . 2]" 1
225 2 33 MET HG3 2 67 VAL MG1 . . 4.210 2.095 1.906 2.401 . 0 0 "[ . 1 . 2]" 1
226 2 67 VAL MG1 2 71 VAL HA . . 5.250 5.252 5.141 5.293 0.043 14 0 "[ . 1 . 2]" 1
227 2 67 VAL HA 2 67 VAL MG1 . . 3.340 2.341 2.294 2.367 . 0 0 "[ . 1 . 2]" 1
228 2 67 VAL MG1 2 68 ASP HA . . 4.150 3.455 3.350 3.577 . 0 0 "[ . 1 . 2]" 1
229 2 67 VAL HA 2 67 VAL MG2 . . 3.330 2.348 2.264 2.432 . 0 0 "[ . 1 . 2]" 1
230 2 41 ILE MD 2 67 VAL MG2 . . 4.010 3.466 3.277 3.655 . 0 0 "[ . 1 . 2]" 1
231 2 63 LEU MD1 2 67 VAL MG2 . . 2.810 2.013 1.877 2.246 . 0 0 "[ . 1 . 2]" 1
232 2 30 ILE MG 2 67 VAL MG2 . . 3.060 2.452 2.319 2.590 . 0 0 "[ . 1 . 2]" 1
233 2 41 ILE MG 2 67 VAL MG2 . . 3.330 2.414 2.258 2.585 . 0 0 "[ . 1 . 2]" 1
234 2 63 LEU HG 2 67 VAL MG2 . . 4.230 3.800 2.928 4.264 0.034 18 0 "[ . 1 . 2]" 1
235 2 67 VAL MG2 2 70 ALA MB . . 4.550 4.301 4.210 4.369 . 0 0 "[ . 1 . 2]" 1
236 2 30 ILE HG12 2 67 VAL MG2 . . 3.870 2.497 2.161 2.750 . 0 0 "[ . 1 . 2]" 1
237 2 30 ILE HG13 2 67 VAL MG2 . . 4.200 3.842 3.311 4.189 . 0 0 "[ . 1 . 2]" 1
238 2 66 LYS HB2 2 67 VAL MG2 . . 4.330 3.250 3.050 3.433 . 0 0 "[ . 1 . 2]" 1
239 2 34 HIS HB2 2 67 VAL MG2 . . 4.800 4.208 3.908 4.419 . 0 0 "[ . 1 . 2]" 1
240 2 7 ALA MB 2 54 LEU MD1 . . 3.080 2.609 2.048 3.080 0.000 14 0 "[ . 1 . 2]" 1
241 2 7 ALA MB 2 8 SER HA . . 3.920 3.870 3.759 4.093 0.173 14 0 "[ . 1 . 2]" 1
242 2 6 THR HA 2 7 ALA MB . . 4.250 4.101 3.704 4.236 . 0 0 "[ . 1 . 2]" 1
243 2 69 GLU HA 2 72 ALA MB . . 3.100 2.608 2.473 2.741 . 0 0 "[ . 1 . 2]" 1
244 2 72 ALA MB 2 73 VAL HA . . 3.850 3.754 3.698 3.835 . 0 0 "[ . 1 . 2]" 1
245 2 69 GLU QB 2 72 ALA MB . . 4.450 4.238 4.130 4.413 . 0 0 "[ . 1 . 2]" 1
246 2 8 SER HA 2 11 ALA MB . . 2.900 2.168 1.940 2.533 . 0 0 "[ . 1 . 2]" 1
247 2 73 VAL MG1 2 76 ALA MB . . 3.630 3.043 2.811 3.591 . 0 0 "[ . 1 . 2]" 1
248 2 30 ILE HA 2 32 ALA MB . . 4.560 3.951 3.827 4.107 . 0 0 "[ . 1 . 2]" 1
249 2 32 ALA MB 2 33 MET ME . . 3.410 2.549 1.941 3.407 . 0 0 "[ . 1 . 2]" 1
250 2 31 GLN HG3 2 38 ALA MB . . 3.490 2.088 1.891 2.641 . 0 0 "[ . 1 . 2]" 1
251 2 27 PHE QD 2 38 ALA MB . . 4.190 2.610 2.321 2.749 . 0 0 "[ . 1 . 2]" 1
252 2 31 GLN HB2 2 38 ALA MB . . 4.200 3.926 3.827 4.127 . 0 0 "[ . 1 . 2]" 1
253 2 30 ILE HB 2 38 ALA MB . . 3.590 2.693 2.607 2.859 . 0 0 "[ . 1 . 2]" 1
254 2 31 GLN HA 2 38 ALA MB . . 3.110 2.642 2.362 2.947 . 0 0 "[ . 1 . 2]" 1
255 2 34 HIS HB3 2 38 ALA MB . . 4.450 4.130 3.893 4.393 . 0 0 "[ . 1 . 2]" 1
256 2 35 PRO HD3 2 38 ALA MB . . 5.500 5.170 4.976 5.415 . 0 0 "[ . 1 . 2]" 1
257 2 30 ILE HA 2 38 ALA MB . . 4.900 4.789 4.610 4.958 0.058 7 0 "[ . 1 . 2]" 1
258 2 30 ILE MG 2 38 ALA MB . . 3.240 2.555 2.359 2.679 . 0 0 "[ . 1 . 2]" 1
259 2 38 ALA MB 2 41 ILE MD . . 4.300 3.476 3.363 3.679 . 0 0 "[ . 1 . 2]" 1
260 2 35 PRO HA 2 38 ALA MB . . 3.640 2.533 2.405 2.700 . 0 0 "[ . 1 . 2]" 1
261 2 28 PRO HA 2 38 ALA MB . . 4.460 4.292 4.197 4.425 . 0 0 "[ . 1 . 2]" 1
262 2 41 ILE MD 2 70 ALA MB . . 3.580 3.604 3.503 3.628 0.048 8 0 "[ . 1 . 2]" 1
263 2 45 LEU MD1 2 70 ALA MB . . 2.920 2.101 2.007 2.176 . 0 0 "[ . 1 . 2]" 1
264 2 41 ILE MG 2 70 ALA MB . . 3.050 2.285 2.152 2.421 . 0 0 "[ . 1 . 2]" 1
265 2 67 VAL MG1 2 70 ALA MB . . 3.860 3.813 3.696 3.879 0.019 2 0 "[ . 1 . 2]" 1
266 2 70 ALA MB 2 74 LEU HG . . 3.870 3.778 3.623 3.855 . 0 0 "[ . 1 . 2]" 1
267 2 44 MET HB3 2 70 ALA MB . . 5.500 4.225 3.995 4.405 . 0 0 "[ . 1 . 2]" 1
268 2 70 ALA MB 2 73 VAL HB . . 4.310 4.268 4.144 4.321 0.011 10 0 "[ . 1 . 2]" 1
269 2 44 MET HB2 2 70 ALA MB . . 3.860 3.044 2.804 3.227 . 0 0 "[ . 1 . 2]" 1
270 2 69 GLU QB 2 70 ALA MB . . 3.960 3.754 3.681 3.811 . 0 0 "[ . 1 . 2]" 1
271 2 66 LYS HE3 2 70 ALA MB . . 4.700 4.276 3.878 4.593 . 0 0 "[ . 1 . 2]" 1
272 2 67 VAL HA 2 70 ALA MB . . 3.590 2.772 2.691 2.830 . 0 0 "[ . 1 . 2]" 1
273 2 41 ILE HA 2 70 ALA MB . . 3.870 2.221 2.071 2.345 . 0 0 "[ . 1 . 2]" 1
274 2 68 ASP HA 2 70 ALA MB . . 5.190 5.064 4.991 5.115 . 0 0 "[ . 1 . 2]" 1
275 2 13 ALA MB 2 14 PRO HD3 . . 3.270 3.126 3.089 3.165 . 0 0 "[ . 1 . 2]" 1
276 2 13 ALA MB 2 18 GLN HG2 . . 3.280 3.158 3.002 3.290 0.010 10 0 "[ . 1 . 2]" 1
277 2 10 LEU HA 2 13 ALA MB . . 3.350 2.404 1.971 2.773 . 0 0 "[ . 1 . 2]" 1
278 2 82 ALA MB 2 83 ALA HA . . 4.660 4.213 3.775 4.569 . 0 0 "[ . 1 . 2]" 1
279 2 13 ALA MB 2 14 PRO HD2 . . 3.240 1.973 1.942 2.050 . 0 0 "[ . 1 . 2]" 1
280 2 13 ALA MB 2 17 GLU QG . . 4.010 3.532 2.538 4.023 0.013 8 0 "[ . 1 . 2]" 1
281 2 10 LEU MD1 2 13 ALA MB . . 4.850 4.321 3.567 4.886 0.036 3 0 "[ . 1 . 2]" 1
282 2 10 LEU MD2 2 13 ALA MB . . 4.850 4.271 3.288 4.857 0.007 15 0 "[ . 1 . 2]" 1
283 2 44 MET ME 2 70 ALA HA . . 2.700 2.561 2.446 2.677 . 0 0 "[ . 1 . 2]" 1
284 2 44 MET ME 2 44 MET HG2 . . 3.450 3.388 3.374 3.392 . 0 0 "[ . 1 . 2]" 1
285 2 44 MET ME 2 44 MET HG3 . . 3.410 2.468 2.419 2.483 . 0 0 "[ . 1 . 2]" 1
286 2 44 MET ME 2 73 VAL HB . . 3.470 3.496 3.461 3.524 0.054 11 0 "[ . 1 . 2]" 1
287 2 44 MET HB2 2 44 MET ME . . 3.250 1.999 1.959 2.147 . 0 0 "[ . 1 . 2]" 1
288 2 40 LYS HA 2 44 MET ME . . 3.680 3.608 3.487 3.695 0.015 3 0 "[ . 1 . 2]" 1
289 1 6 LEU MD1 2 44 MET ME . . 3.480 2.927 2.712 3.180 . 0 0 "[ . 1 . 2]" 1
290 2 44 MET ME 2 45 LEU MD1 . . 3.780 2.917 2.854 3.033 . 0 0 "[ . 1 . 2]" 1
291 2 44 MET ME 2 70 ALA MB . . 2.900 1.802 1.783 1.894 . 0 0 "[ . 1 . 2]" 1
292 2 44 MET ME 2 74 LEU HG . . 3.320 3.008 2.684 3.267 . 0 0 "[ . 1 . 2]" 1
293 2 44 MET ME 2 74 LEU MD1 . . 3.120 2.856 2.491 3.110 . 0 0 "[ . 1 . 2]" 1
294 2 41 ILE HA 2 44 MET ME . . 3.710 2.099 1.978 2.197 . 0 0 "[ . 1 . 2]" 1
295 2 44 MET ME 2 71 VAL HA . . 4.390 4.001 3.841 4.185 . 0 0 "[ . 1 . 2]" 1
296 2 56 MET ME 2 66 LYS HE2 . . 3.040 2.419 1.962 2.762 . 0 0 "[ . 1 . 2]" 1
297 2 56 MET ME 2 66 LYS HE3 . . 3.870 3.741 3.408 3.891 0.021 19 0 "[ . 1 . 2]" 1
298 2 45 LEU HA 2 56 MET ME . . 4.520 4.473 4.315 4.564 0.044 13 0 "[ . 1 . 2]" 1
299 2 53 LEU MD2 2 56 MET ME . . 2.500 1.852 1.819 1.916 . 0 0 "[ . 1 . 2]" 1
300 2 53 LEU HB3 2 56 MET ME . . 3.750 3.180 2.241 3.712 . 0 0 "[ . 1 . 2]" 1
301 2 56 MET ME 2 66 LYS QD . . 3.470 2.766 2.068 3.440 . 0 0 "[ . 1 . 2]" 1
302 2 56 MET ME 2 66 LYS HG3 . . 2.950 1.972 1.906 2.258 . 0 0 "[ . 1 . 2]" 1
303 2 30 ILE HA 2 33 MET ME . . 3.260 1.932 1.875 2.040 . 0 0 "[ . 1 . 2]" 1
304 2 33 MET ME 2 67 VAL MG2 . . 3.080 2.089 1.700 2.503 . 0 0 "[ . 1 . 2]" 1
305 2 30 ILE MG 2 33 MET ME . . 3.090 2.910 2.393 3.101 0.011 19 0 "[ . 1 . 2]" 1
306 2 33 MET ME 2 63 LEU MD2 . . 2.770 2.492 2.004 2.788 0.018 2 0 "[ . 1 . 2]" 1
307 2 33 MET ME 2 33 MET HG2 . . 3.070 2.181 1.990 2.485 . 0 0 "[ . 1 . 2]" 1
308 2 33 MET ME 2 33 MET HG3 . . 3.330 2.909 2.474 3.210 . 0 0 "[ . 1 . 2]" 1
309 2 13 ALA MB 2 21 MET ME . . 2.770 2.136 2.003 2.287 . 0 0 "[ . 1 . 2]" 1
310 2 21 MET ME 2 21 MET QG . . 3.090 2.358 2.174 2.398 . 0 0 "[ . 1 . 2]" 1
311 2 10 LEU MD2 2 21 MET ME . . 3.930 3.040 1.767 3.785 . 0 0 "[ . 1 . 2]" 1
312 2 21 MET HB2 2 21 MET ME . . 2.710 2.030 1.962 2.470 . 0 0 "[ . 1 . 2]" 1
313 2 22 LEU HA 2 22 LEU MD2 . . 3.460 3.393 2.788 3.475 0.015 6 0 "[ . 1 . 2]" 1
314 2 46 LEU HB3 2 46 LEU MD2 . . 2.860 2.016 1.965 2.122 . 0 0 "[ . 1 . 2]" 1
315 2 19 LYS HB3 2 46 LEU MD2 . . 3.710 2.782 2.117 3.304 . 0 0 "[ . 1 . 2]" 1
316 2 22 LEU MD2 2 26 LEU HB3 . . 3.910 3.850 3.758 3.937 0.027 10 0 "[ . 1 . 2]" 1
317 2 19 LYS HA 2 46 LEU MD1 . . 3.730 2.293 1.973 2.590 . 0 0 "[ . 1 . 2]" 1
318 1 13 PHE HA 2 46 LEU MD1 . . 4.210 3.758 3.560 4.066 . 0 0 "[ . 1 . 2]" 1
319 2 23 GLY HA2 2 46 LEU MD1 . . 3.760 2.482 2.229 2.644 . 0 0 "[ . 1 . 2]" 1
320 2 19 LYS HB3 2 46 LEU MD1 . . 4.170 3.132 2.919 3.338 . 0 0 "[ . 1 . 2]" 1
321 2 46 LEU HB3 2 46 LEU MD1 . . 3.160 2.634 2.590 2.678 . 0 0 "[ . 1 . 2]" 1
322 1 13 PHE QD 2 46 LEU MD1 . . 3.430 3.011 2.782 3.196 . 0 0 "[ . 1 . 2]" 1
323 2 5 LEU HA 2 5 LEU MD1 . . 4.210 2.460 1.953 3.831 . 0 0 "[ . 1 . 2]" 1
324 2 45 LEU HA 2 45 LEU MD1 . . 3.340 2.376 2.326 2.464 . 0 0 "[ . 1 . 2]" 1
325 2 5 LEU MD2 2 22 LEU HA . . 3.830 2.723 1.903 3.839 0.009 11 0 "[ . 1 . 2]" 1
326 2 10 LEU MD1 2 18 GLN HA . . 3.560 3.024 1.877 3.491 . 0 0 "[ . 1 . 2]" 1
327 2 10 LEU MD1 2 22 LEU HA . . 4.580 3.683 3.064 4.572 . 0 0 "[ . 1 . 2]" 1
328 2 10 LEU MD1 2 21 MET HB2 . . 4.470 3.432 2.584 4.484 0.014 6 0 "[ . 1 . 2]" 1
329 2 10 LEU MD1 2 18 GLN HG2 . . 5.210 4.028 2.191 4.510 . 0 0 "[ . 1 . 2]" 1
330 2 10 LEU MD1 2 22 LEU HB2 . . 5.320 2.353 2.017 2.612 . 0 0 "[ . 1 . 2]" 1
331 2 10 LEU MD1 2 21 MET ME . . 3.930 2.834 2.244 3.791 . 0 0 "[ . 1 . 2]" 1
332 2 10 LEU MD2 2 22 LEU HA . . 4.580 4.057 3.159 4.586 0.006 4 0 "[ . 1 . 2]" 1
333 2 10 LEU MD2 2 18 GLN HA . . 3.560 2.403 1.927 2.891 . 0 0 "[ . 1 . 2]" 1
334 2 10 LEU MD2 2 22 LEU HB2 . . 5.320 2.370 1.948 2.775 . 0 0 "[ . 1 . 2]" 1
335 2 19 LYS HA 2 22 LEU MD1 . . 4.200 4.112 3.917 4.225 0.025 8 0 "[ . 1 . 2]" 1
336 2 22 LEU HA 2 22 LEU MD1 . . 3.870 3.561 3.486 3.734 . 0 0 "[ . 1 . 2]" 1
337 2 22 LEU MD1 2 53 LEU HB3 . . 3.940 3.907 3.663 3.966 0.026 16 0 "[ . 1 . 2]" 1
338 2 22 LEU MD1 2 50 ASN HB3 . . 4.240 1.953 1.875 2.846 . 0 0 "[ . 1 . 2]" 1
339 2 22 LEU MD1 2 50 ASN HB2 . . 4.240 3.280 1.882 3.494 . 0 0 "[ . 1 . 2]" 1
340 2 22 LEU MD2 2 26 LEU HB2 . . 2.900 2.853 2.693 2.924 0.024 7 0 "[ . 1 . 2]" 1
341 2 22 LEU MD2 2 53 LEU HB3 . . 3.780 3.704 3.063 3.817 0.037 2 0 "[ . 1 . 2]" 1
342 2 26 LEU HA 2 26 LEU MD1 . . 4.010 2.658 2.273 3.104 . 0 0 "[ . 1 . 2]" 1
343 2 26 LEU MD1 2 53 LEU HA . . 5.280 5.251 5.136 5.296 0.016 11 0 "[ . 1 . 2]" 1
344 2 26 LEU HB3 2 26 LEU MD1 . . 3.540 3.143 3.054 3.186 . 0 0 "[ . 1 . 2]" 1
345 2 26 LEU HB2 2 26 LEU MD1 . . 3.180 2.138 1.970 2.300 . 0 0 "[ . 1 . 2]" 1
346 2 26 LEU MD1 2 53 LEU MD1 . . 3.460 3.117 2.863 3.320 . 0 0 "[ . 1 . 2]" 1
347 2 26 LEU MD1 2 53 LEU HB3 . . 3.970 3.446 3.247 3.595 . 0 0 "[ . 1 . 2]" 1
348 2 26 LEU HA 2 26 LEU MD2 . . 3.830 3.666 3.467 3.778 . 0 0 "[ . 1 . 2]" 1
349 2 45 LEU HA 2 45 LEU MD2 . . 4.420 3.807 3.778 3.821 . 0 0 "[ . 1 . 2]" 1
350 2 26 LEU HB3 2 26 LEU MD2 . . 3.220 2.175 2.000 2.411 . 0 0 "[ . 1 . 2]" 1
351 2 45 LEU HB2 2 45 LEU MD2 . . 3.620 2.239 2.157 2.385 . 0 0 "[ . 1 . 2]" 1
352 2 26 LEU MD2 2 53 LEU MD1 . . 2.710 2.146 1.884 2.697 . 0 0 "[ . 1 . 2]" 1
353 2 33 MET ME 2 63 LEU MD1 . . 3.020 2.013 1.799 2.413 . 0 0 "[ . 1 . 2]" 1
354 2 45 LEU MD2 2 66 LYS HB3 . . 3.370 2.211 1.988 2.495 . 0 0 "[ . 1 . 2]" 1
355 2 45 LEU MD2 2 66 LYS HB2 . . 2.780 2.686 2.464 2.787 0.007 16 0 "[ . 1 . 2]" 1
356 2 45 LEU HB3 2 45 LEU MD2 . . 3.270 2.404 2.236 2.490 . 0 0 "[ . 1 . 2]" 1
357 2 63 LEU HB3 2 63 LEU MD1 . . 3.370 2.512 2.032 3.189 . 0 0 "[ . 1 . 2]" 1
358 2 29 LEU HA 2 29 LEU MD1 . . 3.470 2.767 2.627 3.272 . 0 0 "[ . 1 . 2]" 1
359 2 29 LEU MD1 2 33 MET ME . . 3.990 2.576 2.302 2.818 . 0 0 "[ . 1 . 2]" 1
360 2 29 LEU MD1 2 63 LEU HG . . 4.020 3.502 2.934 4.077 0.057 3 0 "[ . 1 . 2]" 1
361 2 29 LEU MD1 2 63 LEU MD1 . . 3.340 2.834 1.957 3.384 0.044 9 0 "[ . 1 . 2]" 1
362 2 26 LEU HA 2 29 LEU MD1 . . 4.440 4.250 3.723 4.390 . 0 0 "[ . 1 . 2]" 1
363 1 6 LEU MD1 2 73 VAL MG1 . . 3.130 1.982 1.879 2.561 . 0 0 "[ . 1 . 2]" 1
364 2 37 LEU HA 2 37 LEU MD1 . . 2.750 1.967 1.932 2.014 . 0 0 "[ . 1 . 2]" 1
365 2 37 LEU HB3 2 37 LEU MD1 . . 2.720 2.429 2.419 2.496 . 0 0 "[ . 1 . 2]" 1
366 2 37 LEU HB2 2 37 LEU MD1 . . 3.290 3.176 3.173 3.180 . 0 0 "[ . 1 . 2]" 1
367 2 37 LEU MD1 2 41 ILE MD . . 4.380 4.304 4.188 4.408 0.028 7 0 "[ . 1 . 2]" 1
368 2 36 THR HB 2 37 LEU MD1 . . 3.540 3.091 3.015 3.139 . 0 0 "[ . 1 . 2]" 1
369 2 37 LEU HB3 2 37 LEU MD2 . . 3.310 3.157 3.152 3.162 . 0 0 "[ . 1 . 2]" 1
370 2 5 LEU MD2 2 25 ARG HB3 . . 4.590 3.162 2.127 4.283 . 0 0 "[ . 1 . 2]" 1
371 2 45 LEU MD1 2 66 LYS HB3 . . 3.080 2.688 2.528 2.903 . 0 0 "[ . 1 . 2]" 1
372 2 37 LEU MD2 2 71 VAL HA . . 4.700 4.552 4.403 4.697 . 0 0 "[ . 1 . 2]" 1
373 2 45 LEU MD2 2 66 LYS HG3 . . 3.720 3.471 3.137 3.726 0.006 17 0 "[ . 1 . 2]" 1
374 2 45 LEU MD2 2 70 ALA MB . . 3.890 3.274 3.146 3.486 . 0 0 "[ . 1 . 2]" 1
375 2 33 MET HG2 2 63 LEU MD1 . . 4.750 4.569 4.322 4.819 0.069 4 0 "[ . 1 . 2]" 1
376 2 45 LEU MD2 2 66 LYS HE2 . . 4.950 3.747 3.393 4.072 . 0 0 "[ . 1 . 2]" 1
377 2 45 LEU MD2 2 66 LYS HE3 . . 4.110 3.421 3.142 3.762 . 0 0 "[ . 1 . 2]" 1
378 2 26 LEU MD2 2 53 LEU HB3 . . 3.320 2.757 2.508 2.962 . 0 0 "[ . 1 . 2]" 1
379 2 46 LEU HB3 2 53 LEU MD1 . . 4.310 4.287 4.255 4.326 0.016 15 0 "[ . 1 . 2]" 1
380 2 22 LEU MD2 2 53 LEU MD1 . . 3.230 1.832 1.798 1.898 . 0 0 "[ . 1 . 2]" 1
381 2 45 LEU HB2 2 53 LEU MD1 . . 4.270 3.923 3.730 4.154 . 0 0 "[ . 1 . 2]" 1
382 2 46 LEU HA 2 53 LEU MD1 . . 3.770 1.879 1.858 1.903 . 0 0 "[ . 1 . 2]" 1
383 2 53 LEU HA 2 53 LEU MD2 . . 3.050 2.231 2.169 2.300 . 0 0 "[ . 1 . 2]" 1
384 2 45 LEU HA 2 53 LEU MD2 . . 3.950 3.477 3.294 3.753 . 0 0 "[ . 1 . 2]" 1
385 2 48 ILE HB 2 53 LEU MD2 . . 3.650 3.770 3.733 3.805 0.155 2 0 "[ . 1 . 2]" 1
386 2 52 GLU HB3 2 53 LEU MD2 . . 3.550 2.683 2.576 2.774 . 0 0 "[ . 1 . 2]" 1
387 2 7 ALA HA 2 54 LEU MD1 . . 3.110 2.233 1.889 2.983 . 0 0 "[ . 1 . 2]" 1
388 2 26 LEU HB2 2 26 LEU MD2 . . 2.760 2.535 2.264 2.758 . 0 0 "[ . 1 . 2]" 1
389 2 54 LEU HA 2 54 LEU MD2 . . 2.690 2.026 1.961 2.142 . 0 0 "[ . 1 . 2]" 1
390 2 63 LEU HA 2 63 LEU MD1 . . 3.440 2.878 2.100 3.447 0.007 5 0 "[ . 1 . 2]" 1
391 2 54 LEU HA 2 57 LEU MD1 . . 3.420 2.430 1.957 2.795 . 0 0 "[ . 1 . 2]" 1
392 2 57 LEU HB3 2 57 LEU MD1 . . 3.210 2.443 2.423 2.476 . 0 0 "[ . 1 . 2]" 1
393 2 7 ALA HA 2 54 LEU MD2 . . 3.020 2.519 1.971 3.017 . 0 0 "[ . 1 . 2]" 1
394 2 63 LEU HA 2 63 LEU MD2 . . 4.040 2.777 1.932 3.948 . 0 0 "[ . 1 . 2]" 1
395 2 63 LEU MD2 2 64 ARG HA . . 4.430 4.169 3.680 4.468 0.038 19 0 "[ . 1 . 2]" 1
396 2 63 LEU HB2 2 63 LEU MD2 . . 3.510 2.445 2.235 2.562 . 0 0 "[ . 1 . 2]" 1
397 2 63 LEU HB3 2 63 LEU MD2 . . 3.570 2.829 2.220 3.171 . 0 0 "[ . 1 . 2]" 1
398 2 29 LEU MD1 2 63 LEU MD2 . . 3.190 2.495 1.915 3.148 . 0 0 "[ . 1 . 2]" 1
399 2 74 LEU HA 2 74 LEU MD1 . . 3.890 3.798 3.742 3.909 0.019 7 0 "[ . 1 . 2]" 1
400 2 71 VAL HA 2 74 LEU MD1 . . 3.770 2.373 2.057 2.684 . 0 0 "[ . 1 . 2]" 1
401 2 40 LYS HE2 2 74 LEU MD1 . . 4.490 3.348 1.977 4.498 0.008 6 0 "[ . 1 . 2]" 1
402 2 40 LYS HE3 2 74 LEU MD1 . . 4.490 3.918 2.312 4.484 . 0 0 "[ . 1 . 2]" 1
403 2 74 LEU HB2 2 74 LEU MD1 . . 3.290 2.436 2.307 2.526 . 0 0 "[ . 1 . 2]" 1
404 1 8 VAL MG2 2 74 LEU MD1 . . 4.130 3.840 3.640 4.000 . 0 0 "[ . 1 . 2]" 1
405 2 41 ILE MD 2 74 LEU MD1 . . 4.300 3.575 3.436 3.764 . 0 0 "[ . 1 . 2]" 1
406 2 44 MET ME 2 74 LEU MD2 . . 3.150 1.927 1.815 2.289 . 0 0 "[ . 1 . 2]" 1
407 2 74 LEU HB3 2 74 LEU MD2 . . 3.200 2.443 2.340 2.532 . 0 0 "[ . 1 . 2]" 1
408 1 8 VAL MG1 2 74 LEU MD2 . . 3.910 3.874 3.697 3.945 0.035 18 0 "[ . 1 . 2]" 1
409 1 8 VAL MG2 2 74 LEU MD2 . . 3.500 1.877 1.764 2.054 . 0 0 "[ . 1 . 2]" 1
410 2 14 PRO HD2 2 21 MET ME . . 3.710 3.613 3.407 3.722 0.012 5 0 "[ . 1 . 2]" 1
411 1 8 VAL MG2 2 44 MET ME . . 3.720 3.543 3.127 3.729 0.009 1 0 "[ . 1 . 2]" 1
412 2 9 MET HA 2 21 MET ME . . 4.570 4.454 4.121 4.581 0.011 14 0 "[ . 1 . 2]" 1
413 2 10 LEU HA 2 21 MET ME . . 2.880 2.578 2.267 2.876 . 0 0 "[ . 1 . 2]" 1
414 2 18 GLN HA 2 21 MET ME . . 3.050 2.408 2.334 2.569 . 0 0 "[ . 1 . 2]" 1
415 2 18 GLN HG2 2 21 MET ME . . 3.450 3.448 3.353 3.502 0.052 18 0 "[ . 1 . 2]" 1
416 2 5 LEU HA 2 9 MET ME . . 3.970 3.061 2.086 3.961 . 0 0 "[ . 1 . 2]" 1
417 2 9 MET HA 2 9 MET ME . . 4.320 4.195 3.819 4.318 . 0 0 "[ . 1 . 2]" 1
418 2 53 LEU HA 2 56 MET ME . . 2.910 2.147 1.900 2.488 . 0 0 "[ . 1 . 2]" 1
419 2 33 MET ME 2 67 VAL MG1 . . 3.410 3.059 2.508 3.429 0.019 13 0 "[ . 1 . 2]" 1
420 2 60 PRO HA 2 63 LEU HB3 . . 4.250 2.940 2.701 3.102 . 0 0 "[ . 1 . 2]" 1
421 2 60 PRO HA 2 63 LEU MD2 . . 5.500 4.774 3.600 5.532 0.032 9 0 "[ . 1 . 2]" 1
422 2 31 GLN HB3 2 35 PRO HA . . 4.000 2.453 2.297 2.690 . 0 0 "[ . 1 . 2]" 1
423 2 73 VAL HA 2 76 ALA MB . . 4.160 3.470 2.831 4.083 . 0 0 "[ . 1 . 2]" 1
424 1 6 LEU MD1 2 73 VAL HA . . 5.500 4.412 4.308 5.164 . 0 0 "[ . 1 . 2]" 1
425 2 15 PRO HA 2 18 GLN HG3 . . 4.250 2.063 1.989 2.189 . 0 0 "[ . 1 . 2]" 1
426 2 15 PRO HA 2 18 GLN HB2 . . 4.540 3.543 3.306 3.719 . 0 0 "[ . 1 . 2]" 1
427 2 60 PRO HA 2 63 LEU HB2 . . 4.400 4.047 3.649 4.416 0.016 3 0 "[ . 1 . 2]" 1
428 2 45 LEU HB2 2 56 MET ME . . 5.500 5.420 4.895 5.606 0.106 2 0 "[ . 1 . 2]" 1
429 2 45 LEU HB2 2 66 LYS HB3 . . 5.500 4.937 4.720 5.120 . 0 0 "[ . 1 . 2]" 1
430 2 71 VAL HA 2 74 LEU HB2 . . 4.200 3.203 3.039 3.331 . 0 0 "[ . 1 . 2]" 1
431 2 71 VAL HA 2 74 LEU HG . . 4.620 2.213 1.987 2.724 . 0 0 "[ . 1 . 2]" 1
432 2 70 ALA MB 2 71 VAL HA . . 4.130 3.602 3.584 3.673 . 0 0 "[ . 1 . 2]" 1
433 2 45 LEU MD2 2 67 VAL HA . . 4.050 2.828 2.586 3.015 . 0 0 "[ . 1 . 2]" 1
434 2 57 LEU HB2 2 57 LEU MD2 . . 3.610 2.120 2.112 2.128 . 0 0 "[ . 1 . 2]" 1
435 2 66 LYS HB3 2 66 LYS HE2 . . 5.030 2.810 2.715 2.921 . 0 0 "[ . 1 . 2]" 1
436 2 66 LYS HB2 2 66 LYS HE2 . . 4.390 4.083 4.006 4.162 . 0 0 "[ . 1 . 2]" 1
437 2 66 LYS HE2 2 66 LYS HG2 . . 3.990 3.702 3.668 3.722 . 0 0 "[ . 1 . 2]" 1
438 2 66 LYS HE2 2 66 LYS HG3 . . 3.800 2.506 2.442 2.537 . 0 0 "[ . 1 . 2]" 1
439 2 66 LYS HB3 2 66 LYS HE3 . . 4.150 2.001 1.982 2.019 . 0 0 "[ . 1 . 2]" 1
440 2 66 LYS HB2 2 66 LYS HE3 . . 4.280 3.603 3.588 3.629 . 0 0 "[ . 1 . 2]" 1
441 2 66 LYS HE3 2 66 LYS HG2 . . 3.870 3.718 3.698 3.750 . 0 0 "[ . 1 . 2]" 1
442 2 66 LYS HE3 2 66 LYS HG3 . . 3.730 3.107 3.051 3.162 . 0 0 "[ . 1 . 2]" 1
443 2 48 ILE MG 2 66 LYS HE3 . . 4.950 4.693 4.364 4.960 0.010 15 0 "[ . 1 . 2]" 1
444 2 25 ARG HB2 2 25 ARG HD2 . . 4.160 3.057 2.011 3.968 . 0 0 "[ . 1 . 2]" 1
445 2 25 ARG HB3 2 25 ARG HD2 . . 4.160 3.274 2.406 3.803 . 0 0 "[ . 1 . 2]" 1
446 2 25 ARG HB3 2 25 ARG HD3 . . 4.160 2.854 2.011 4.000 . 0 0 "[ . 1 . 2]" 1
447 2 40 LYS HE2 2 74 LEU MD2 . . 4.130 3.026 1.945 4.165 0.035 20 0 "[ . 1 . 2]" 1
448 2 40 LYS HE3 2 74 LEU MD2 . . 4.130 3.115 1.910 3.979 . 0 0 "[ . 1 . 2]" 1
449 2 5 LEU MD1 2 25 ARG HD2 . . 4.520 3.431 2.148 4.492 . 0 0 "[ . 1 . 2]" 1
450 2 5 LEU MD1 2 25 ARG HD3 . . 4.520 3.160 2.188 4.551 0.031 18 0 "[ . 1 . 2]" 1
451 2 5 LEU MD2 2 25 ARG HD2 . . 4.520 3.675 1.936 4.561 0.041 10 0 "[ . 1 . 2]" 1
452 2 5 LEU MD2 2 25 ARG HD3 . . 4.520 3.249 1.935 4.484 . 0 0 "[ . 1 . 2]" 1
453 2 25 ARG HB2 2 25 ARG HD3 . . 4.160 3.009 2.247 4.197 0.037 10 0 "[ . 1 . 2]" 1
454 2 25 ARG HA 2 25 ARG HD2 . . 4.500 3.966 2.294 4.597 0.097 6 0 "[ . 1 . 2]" 1
455 2 43 GLY HA2 2 46 LEU HB3 . . 4.490 2.966 2.850 3.069 . 0 0 "[ . 1 . 2]" 1
456 2 43 GLY HA2 2 46 LEU MD1 . . 4.760 4.115 3.922 4.263 . 0 0 "[ . 1 . 2]" 1
457 2 43 GLY HA2 2 46 LEU MD2 . . 4.940 3.621 3.299 3.863 . 0 0 "[ . 1 . 2]" 1
458 2 43 GLY HA3 2 46 LEU HB3 . . 4.650 4.517 4.394 4.607 . 0 0 "[ . 1 . 2]" 1
459 2 43 GLY HA3 2 46 LEU MD2 . . 5.160 4.949 4.652 5.165 0.005 12 0 "[ . 1 . 2]" 1
460 2 27 PHE QD 2 39 GLY QA . . 4.280 3.538 3.289 3.741 . 0 0 "[ . 1 . 2]" 1
461 2 23 GLY HA2 2 42 THR MG . . 4.640 4.191 3.673 4.423 . 0 0 "[ . 1 . 2]" 1
462 2 23 GLY HA3 2 42 THR MG . . 4.640 4.371 3.761 4.669 0.029 10 0 "[ . 1 . 2]" 1
463 2 23 GLY HA3 2 46 LEU MD1 . . 3.760 2.010 1.934 2.143 . 0 0 "[ . 1 . 2]" 1
464 2 35 PRO HB3 2 36 THR MG . . 5.150 5.161 5.147 5.183 0.033 9 0 "[ . 1 . 2]" 1
465 2 36 THR MG 2 37 LEU MD2 . . 4.120 3.497 3.411 3.577 . 0 0 "[ . 1 . 2]" 1
466 2 36 THR MG 2 37 LEU MD1 . . 4.400 4.403 4.344 4.412 0.012 18 0 "[ . 1 . 2]" 1
467 2 35 PRO HB2 2 36 THR MG . . 4.040 3.866 3.806 3.973 . 0 0 "[ . 1 . 2]" 1
468 2 36 THR MG 2 80 LYS QD . . 4.150 3.372 2.039 4.112 . 0 0 "[ . 1 . 2]" 1
469 2 35 PRO HD3 2 36 THR MG . . 5.500 5.349 5.129 5.498 . 0 0 "[ . 1 . 2]" 1
470 2 13 ALA HA 2 14 PRO HG2 . . 5.350 4.598 4.590 4.606 . 0 0 "[ . 1 . 2]" 1
471 2 13 ALA HA 2 14 PRO HG3 . . 5.350 4.537 4.531 4.544 . 0 0 "[ . 1 . 2]" 1
472 2 34 HIS HA 2 35 PRO HD3 . . 3.370 2.884 2.859 2.915 . 0 0 "[ . 1 . 2]" 1
473 2 34 HIS HA 2 35 PRO HD2 . . 3.400 2.060 2.042 2.080 . 0 0 "[ . 1 . 2]" 1
474 2 13 ALA HA 2 14 PRO HD2 . . 3.490 2.504 2.494 2.513 . 0 0 "[ . 1 . 2]" 1
475 2 13 ALA HA 2 14 PRO HD3 . . 3.480 2.345 2.340 2.350 . 0 0 "[ . 1 . 2]" 1
476 2 14 PRO HA 2 15 PRO HD3 . . 3.470 2.368 2.363 2.380 . 0 0 "[ . 1 . 2]" 1
477 2 14 PRO HA 2 15 PRO HD2 . . 3.470 2.537 2.527 2.559 . 0 0 "[ . 1 . 2]" 1
478 2 14 PRO HB2 2 15 PRO HD2 . . 4.000 2.073 2.024 2.096 . 0 0 "[ . 1 . 2]" 1
479 2 14 PRO HB2 2 15 PRO HD3 . . 4.000 3.512 3.471 3.531 . 0 0 "[ . 1 . 2]" 1
480 2 3 GLU HA 2 4 PRO HD2 . . 3.210 2.103 2.067 2.130 . 0 0 "[ . 1 . 2]" 1
481 2 3 GLU HA 2 4 PRO HD3 . . 3.210 2.948 2.896 2.984 . 0 0 "[ . 1 . 2]" 1
482 2 59 SER HA 2 60 PRO HD3 . . 3.440 2.268 2.250 2.307 . 0 0 "[ . 1 . 2]" 1
483 2 59 SER HA 2 60 PRO HA . . 4.680 4.420 4.395 4.454 . 0 0 "[ . 1 . 2]" 1
484 2 59 SER HA 2 60 PRO HD2 . . 3.440 2.143 1.993 2.312 . 0 0 "[ . 1 . 2]" 1
485 2 59 SER HA 2 60 PRO HG2 . . 4.520 4.307 4.188 4.441 . 0 0 "[ . 1 . 2]" 1
486 2 59 SER HA 2 60 PRO HG3 . . 4.520 4.353 4.313 4.421 . 0 0 "[ . 1 . 2]" 1
487 2 36 THR HB 2 37 LEU HA . . 4.430 4.168 4.116 4.230 . 0 0 "[ . 1 . 2]" 1
488 2 52 GLU HA 2 55 HIS HB3 . . 4.130 3.697 3.365 4.055 . 0 0 "[ . 1 . 2]" 1
489 2 52 GLU HA 2 55 HIS HB2 . . 4.070 3.791 3.477 4.030 . 0 0 "[ . 1 . 2]" 1
490 2 28 PRO HA 2 31 GLN HB3 . . 4.140 3.971 3.733 4.133 . 0 0 "[ . 1 . 2]" 1
491 2 31 GLN HB3 2 35 PRO HB2 . . 4.490 3.687 3.512 3.859 . 0 0 "[ . 1 . 2]" 1
492 2 3 GLU HA 2 3 GLU QG . . 3.750 2.732 2.241 3.447 . 0 0 "[ . 1 . 2]" 1
493 2 5 LEU HA 2 25 ARG QG . . 5.500 4.934 3.688 5.511 0.011 6 0 "[ . 1 . 2]" 1
494 2 28 PRO HA 2 31 GLN HB2 . . 3.980 2.512 2.224 2.738 . 0 0 "[ . 1 . 2]" 1
495 2 5 LEU HA 2 5 LEU MD2 . . 4.210 3.380 1.921 3.956 . 0 0 "[ . 1 . 2]" 1
496 2 7 ALA HA 2 10 LEU HB2 . . 4.110 3.437 2.509 4.070 . 0 0 "[ . 1 . 2]" 1
497 2 7 ALA HA 2 54 LEU HB3 . . 4.600 3.983 2.541 4.603 0.003 14 0 "[ . 1 . 2]" 1
498 2 72 ALA HA 2 75 GLN HB2 . . 4.210 3.438 2.841 4.251 0.041 1 0 "[ . 1 . 2]" 1
499 2 72 ALA HA 2 75 GLN HB3 . . 4.210 4.026 2.761 4.234 0.024 4 0 "[ . 1 . 2]" 1
500 2 70 ALA HA 2 74 LEU HG . . 4.430 4.385 4.216 4.466 0.036 17 0 "[ . 1 . 2]" 1
501 2 70 ALA HA 2 73 VAL MG2 . . 3.970 2.757 2.512 2.898 . 0 0 "[ . 1 . 2]" 1
502 2 45 LEU MD1 2 70 ALA HA . . 3.810 3.889 3.841 3.935 0.125 20 0 "[ . 1 . 2]" 1
503 2 70 ALA HA 2 73 VAL MG1 . . 4.370 4.304 4.172 4.355 . 0 0 "[ . 1 . 2]" 1
504 2 50 ASN HA 2 53 LEU HB2 . . 4.010 3.278 3.212 3.366 . 0 0 "[ . 1 . 2]" 1
505 2 50 ASN HA 2 53 LEU HG . . 4.360 1.987 1.969 2.030 . 0 0 "[ . 1 . 2]" 1
506 2 50 ASN HA 2 53 LEU HB3 . . 4.730 4.421 4.367 4.494 . 0 0 "[ . 1 . 2]" 1
507 2 50 ASN HA 2 53 LEU MD1 . . 3.690 2.084 2.042 2.126 . 0 0 "[ . 1 . 2]" 1
508 2 22 LEU MD1 2 50 ASN HA . . 3.770 2.477 2.265 2.931 . 0 0 "[ . 1 . 2]" 1
509 2 22 LEU MD2 2 50 ASN HA . . 4.210 2.867 2.550 3.484 . 0 0 "[ . 1 . 2]" 1
510 2 38 ALA HA 2 41 ILE HB . . 3.910 2.604 2.474 2.693 . 0 0 "[ . 1 . 2]" 1
511 2 38 ALA HA 2 67 VAL MG2 . . 5.470 5.432 5.212 5.504 0.034 18 0 "[ . 1 . 2]" 1
512 2 58 GLU HA 2 58 GLU QG . . 3.580 2.857 2.363 3.442 . 0 0 "[ . 1 . 2]" 1
513 1 10 ALA MB 2 44 MET HG2 . . 3.850 2.469 2.142 2.751 . 0 0 "[ . 1 . 2]" 1
514 1 10 ALA MB 2 44 MET HG3 . . 3.690 3.634 3.347 3.716 0.026 11 0 "[ . 1 . 2]" 1
515 1 8 VAL HA 2 44 MET HG2 . . 4.680 3.007 2.512 3.464 . 0 0 "[ . 1 . 2]" 1
516 2 14 PRO HB3 2 15 PRO HD2 . . 4.650 2.722 2.700 2.732 . 0 0 "[ . 1 . 2]" 1
517 2 14 PRO HB3 2 15 PRO HD3 . . 4.650 3.770 3.743 3.783 . 0 0 "[ . 1 . 2]" 1
518 2 74 LEU HA 2 77 HIS HB3 . . 4.470 3.647 2.698 4.474 0.004 7 0 "[ . 1 . 2]" 1
519 2 25 ARG HA 2 25 ARG HD3 . . 4.500 4.071 2.710 4.501 0.001 2 0 "[ . 1 . 2]" 1
520 2 24 GLU QB 2 25 ARG HA . . 4.510 3.862 3.807 3.905 . 0 0 "[ . 1 . 2]" 1
521 2 46 LEU HA 2 46 LEU MD1 . . 3.880 3.565 3.488 3.595 . 0 0 "[ . 1 . 2]" 1
522 2 46 LEU HA 2 46 LEU MD2 . . 4.180 3.544 3.451 3.647 . 0 0 "[ . 1 . 2]" 1
523 2 66 LYS HA 2 69 GLU QB . . 3.800 2.769 2.635 2.981 . 0 0 "[ . 1 . 2]" 1
524 2 66 LYS HA 2 66 LYS HG3 . . 3.740 3.705 3.675 3.720 . 0 0 "[ . 1 . 2]" 1
525 2 66 LYS HA 2 66 LYS HG2 . . 3.890 3.004 2.797 3.122 . 0 0 "[ . 1 . 2]" 1
526 2 45 LEU MD1 2 66 LYS HA . . 4.580 3.780 3.584 4.029 . 0 0 "[ . 1 . 2]" 1
527 2 45 LEU MD2 2 66 LYS HA . . 5.060 4.184 3.949 4.389 . 0 0 "[ . 1 . 2]" 1
528 2 33 MET HA 2 33 MET HG2 . . 3.780 3.573 3.549 3.615 . 0 0 "[ . 1 . 2]" 1
529 2 10 LEU HA 2 18 GLN HG2 . . 4.480 3.400 3.053 3.601 . 0 0 "[ . 1 . 2]" 1
530 2 45 LEU HA 2 48 ILE HB . . 5.020 4.942 4.765 5.046 0.026 18 0 "[ . 1 . 2]" 1
531 2 68 ASP HA 2 71 VAL HB . . 3.640 3.127 3.074 3.173 . 0 0 "[ . 1 . 2]" 1
532 2 44 MET HB3 2 45 LEU HA . . 5.310 4.522 4.474 4.576 . 0 0 "[ . 1 . 2]" 1
533 2 45 LEU HA 2 66 LYS HB3 . . 5.500 4.713 4.498 5.024 . 0 0 "[ . 1 . 2]" 1
534 2 18 GLN HB3 2 19 LYS HA . . 4.630 4.213 4.123 4.338 . 0 0 "[ . 1 . 2]" 1
535 2 19 LYS HA 2 20 GLN QB . . 5.500 5.284 5.149 5.486 . 0 0 "[ . 1 . 2]" 1
536 2 19 LYS HA 2 19 LYS HG2 . . 3.770 3.675 3.613 3.739 . 0 0 "[ . 1 . 2]" 1
537 2 32 ALA MB 2 33 MET HA . . 4.490 4.099 4.035 4.152 . 0 0 "[ . 1 . 2]" 1
538 2 45 LEU HA 2 53 LEU MD1 . . 4.320 3.973 3.852 4.097 . 0 0 "[ . 1 . 2]" 1
539 2 16 GLN HA 2 19 LYS HB3 . . 5.500 5.303 5.087 5.509 0.009 1 0 "[ . 1 . 2]" 1
540 2 9 MET HA 2 9 MET HG2 . . 3.850 2.771 2.137 3.855 0.005 4 0 "[ . 1 . 2]" 1
541 2 9 MET HA 2 9 MET HG3 . . 3.850 3.339 2.294 3.814 . 0 0 "[ . 1 . 2]" 1
542 2 70 ALA HA 2 73 VAL HB . . 3.760 3.002 2.880 3.057 . 0 0 "[ . 1 . 2]" 1
543 2 33 MET HG3 2 34 HIS HA . . 5.470 5.040 4.629 5.507 0.037 8 0 "[ . 1 . 2]" 1
544 2 60 PRO HB2 2 61 GLU HA . . 4.470 3.958 3.941 4.027 . 0 0 "[ . 1 . 2]" 1
545 2 34 HIS HB3 2 35 PRO HD2 . . 4.530 4.403 4.357 4.473 . 0 0 "[ . 1 . 2]" 1
546 2 31 GLN HA 2 35 PRO HB3 . . 4.600 3.318 3.222 3.421 . 0 0 "[ . 1 . 2]" 1
547 2 31 GLN HA 2 34 HIS HB3 . . 4.890 4.698 4.506 4.903 0.013 7 0 "[ . 1 . 2]" 1
548 2 31 GLN HB3 2 35 PRO HB3 . . 4.500 2.373 2.185 2.544 . 0 0 "[ . 1 . 2]" 1
549 2 35 PRO HB2 2 38 ALA MB . . 4.980 4.677 4.561 4.800 . 0 0 "[ . 1 . 2]" 1
550 2 66 LYS HB3 2 67 VAL MG2 . . 4.380 3.961 3.815 4.088 . 0 0 "[ . 1 . 2]" 1
551 1 6 LEU MD1 2 73 VAL HB . . 4.510 2.383 2.151 3.000 . 0 0 "[ . 1 . 2]" 1
552 2 17 GLU HA 2 17 GLU QG . . 3.580 2.400 2.101 2.679 . 0 0 "[ . 1 . 2]" 1
553 2 17 GLU HA 2 20 GLN QB . . 3.750 2.205 1.986 2.476 . 0 0 "[ . 1 . 2]" 1
554 2 54 LEU HA 2 57 LEU HG . . 4.300 3.479 3.217 3.766 . 0 0 "[ . 1 . 2]" 1
555 2 22 LEU HA 2 26 LEU HB2 . . 4.700 4.594 4.442 4.715 0.015 19 0 "[ . 1 . 2]" 1
556 2 53 LEU HA 2 53 LEU HG . . 4.040 3.515 3.492 3.527 . 0 0 "[ . 1 . 2]" 1
557 2 63 LEU HA 2 63 LEU HG . . 4.220 3.587 3.372 3.688 . 0 0 "[ . 1 . 2]" 1
558 2 63 LEU HA 2 67 VAL MG2 . . 4.030 3.838 3.600 3.989 . 0 0 "[ . 1 . 2]" 1
559 2 53 LEU HA 2 53 LEU MD1 . . 4.020 3.915 3.892 3.939 . 0 0 "[ . 1 . 2]" 1
560 2 5 LEU MD1 2 22 LEU HA . . 3.830 3.103 1.973 3.810 . 0 0 "[ . 1 . 2]" 1
561 2 22 LEU HA 2 26 LEU MD1 . . 4.190 3.220 3.022 3.490 . 0 0 "[ . 1 . 2]" 1
562 2 30 ILE HA 2 33 MET HG3 . . 4.940 4.622 4.326 4.876 . 0 0 "[ . 1 . 2]" 1
563 2 30 ILE HA 2 33 MET HG2 . . 4.630 3.511 3.199 3.668 . 0 0 "[ . 1 . 2]" 1
564 1 8 VAL HB 2 74 LEU HA . . 3.570 3.232 2.867 3.564 . 0 0 "[ . 1 . 2]" 1
565 2 16 GLN HA 2 18 GLN HB2 . . 4.520 4.503 4.403 4.544 0.024 15 0 "[ . 1 . 2]" 1
566 2 76 ALA MB 2 77 HIS HA . . 4.510 3.942 3.781 4.069 . 0 0 "[ . 1 . 2]" 1
567 1 8 VAL MG2 2 74 LEU HA . . 4.480 2.244 1.966 2.608 . 0 0 "[ . 1 . 2]" 1
568 2 74 LEU HA 2 77 HIS HB2 . . 4.470 3.973 2.959 4.480 0.010 6 0 "[ . 1 . 2]" 1
569 2 33 MET HG3 2 63 LEU MD1 . . 4.390 4.334 3.950 4.443 0.053 19 0 "[ . 1 . 2]" 1
570 2 33 MET HG2 2 63 LEU MD2 . . 5.500 5.415 4.830 5.525 0.025 14 0 "[ . 1 . 2]" 1
571 2 33 MET HG3 2 41 ILE MD . . 4.740 4.435 4.036 4.773 0.033 4 0 "[ . 1 . 2]" 1
572 1 13 PHE QE 2 24 GLU HA . . 4.070 3.493 3.307 3.596 . 0 0 "[ . 1 . 2]" 1
573 1 13 PHE QD 2 24 GLU HA . . 5.050 5.087 4.955 5.131 0.081 9 0 "[ . 1 . 2]" 1
574 2 31 GLN HA 2 31 GLN HG3 . . 3.800 2.912 2.733 3.319 . 0 0 "[ . 1 . 2]" 1
575 2 55 HIS HA 2 58 GLU QG . . 4.290 2.586 1.987 3.892 . 0 0 "[ . 1 . 2]" 1
576 2 55 HIS HA 2 58 GLU QB . . 4.220 3.790 2.943 4.241 0.021 19 0 "[ . 1 . 2]" 1
577 2 15 PRO HB2 2 16 GLN HA . . 4.490 4.296 4.275 4.309 . 0 0 "[ . 1 . 2]" 1
578 2 24 GLU HA 2 24 GLU HG2 . . 4.100 2.583 2.296 2.852 . 0 0 "[ . 1 . 2]" 1
579 2 24 GLU HA 2 24 GLU HG3 . . 4.100 3.199 2.373 3.713 . 0 0 "[ . 1 . 2]" 1
580 2 16 GLN HA 2 19 LYS HG3 . . 4.500 4.245 3.886 4.472 . 0 0 "[ . 1 . 2]" 1
581 2 16 GLN HA 2 19 LYS HG2 . . 4.790 3.114 2.948 3.300 . 0 0 "[ . 1 . 2]" 1
582 2 11 ALA MB 2 12 SER HA . . 4.590 3.921 3.822 4.138 . 0 0 "[ . 1 . 2]" 1
583 2 52 GLU HA 2 53 LEU MD2 . . 4.600 4.584 4.523 4.615 0.015 15 0 "[ . 1 . 2]" 1
584 2 31 GLN HA 2 35 PRO HA . . 3.780 1.980 1.958 1.993 . 0 0 "[ . 1 . 2]" 1
585 2 44 MET HA 2 44 MET HG2 . . 3.970 2.747 2.715 2.779 . 0 0 "[ . 1 . 2]" 1
586 2 44 MET HA 2 44 MET HG3 . . 3.960 3.006 2.922 3.096 . 0 0 "[ . 1 . 2]" 1
587 2 44 MET HA 2 44 MET ME . . 4.720 4.387 4.325 4.471 . 0 0 "[ . 1 . 2]" 1
588 2 63 LEU HB3 2 64 ARG HA . . 4.550 4.366 4.162 4.597 0.047 20 0 "[ . 1 . 2]" 1
589 2 54 LEU HA 2 57 LEU MD2 . . 5.010 4.665 4.363 4.924 . 0 0 "[ . 1 . 2]" 1
590 2 6 THR HA 2 6 THR MG . . 3.540 2.611 2.056 3.207 . 0 0 "[ . 1 . 2]" 1
591 2 21 MET HA 2 21 MET QG . . 3.710 2.525 2.447 2.567 . 0 0 "[ . 1 . 2]" 1
592 2 19 LYS HB2 2 20 GLN HA . . 4.610 4.423 4.343 4.511 . 0 0 "[ . 1 . 2]" 1
593 2 20 GLN HA 2 46 LEU MD1 . . 4.290 4.181 4.040 4.346 0.056 9 0 "[ . 1 . 2]" 1
594 1 13 PHE QE 2 20 GLN HA . . 4.450 3.789 3.495 4.115 . 0 0 "[ . 1 . 2]" 1
595 1 13 PHE QD 2 20 GLN HA . . 3.770 2.816 2.205 3.225 . 0 0 "[ . 1 . 2]" 1
596 2 18 GLN HA 2 22 LEU MD1 . . 5.070 4.680 4.432 5.049 . 0 0 "[ . 1 . 2]" 1
597 2 18 GLN HA 2 21 MET QG . . 4.660 4.417 4.324 4.549 . 0 0 "[ . 1 . 2]" 1
598 2 18 GLN HA 2 18 GLN HG3 . . 3.930 3.573 3.543 3.596 . 0 0 "[ . 1 . 2]" 1
599 2 18 GLN HA 2 21 MET HB2 . . 4.220 3.724 3.585 3.910 . 0 0 "[ . 1 . 2]" 1
600 2 19 LYS HG3 2 20 GLN HA . . 4.180 3.584 3.370 3.686 . 0 0 "[ . 1 . 2]" 1
601 2 10 LEU HB2 2 18 GLN HA . . 5.500 4.914 4.410 5.530 0.030 8 0 "[ . 1 . 2]" 1
602 2 18 GLN HA 2 19 LYS HG2 . . 5.420 5.285 5.197 5.426 0.006 11 0 "[ . 1 . 2]" 1
603 2 12 SER QB 2 13 ALA MB . . 4.810 4.256 4.024 4.716 . 0 0 "[ . 1 . 2]" 1
604 2 13 ALA MB 2 18 GLN HA . . 5.080 3.959 3.769 4.083 . 0 0 "[ . 1 . 2]" 1
605 2 56 MET HA 2 57 LEU MD1 . . 4.560 4.283 4.143 4.443 . 0 0 "[ . 1 . 2]" 1
606 2 63 LEU MD1 2 64 ARG HA . . 4.120 2.980 2.314 4.047 . 0 0 "[ . 1 . 2]" 1
607 2 5 LEU MD2 2 25 ARG HB2 . . 4.590 3.053 2.015 4.325 . 0 0 "[ . 1 . 2]" 1
608 2 5 LEU MD1 2 25 ARG HB3 . . 4.590 3.514 1.951 4.416 . 0 0 "[ . 1 . 2]" 1
609 2 2 GLN QG 2 3 GLU HA . . 4.870 4.502 3.702 4.837 . 0 0 "[ . 1 . 2]" 1
610 2 2 GLN HA 2 2 GLN QG . . 3.470 2.862 2.027 3.463 . 0 0 "[ . 1 . 2]" 1
611 2 1 GLY QA 2 2 GLN QG . . 4.600 4.003 3.133 4.585 . 0 0 "[ . 1 . 2]" 1
612 2 10 LEU MD2 2 21 MET HB2 . . 4.470 3.761 2.260 4.476 0.006 10 0 "[ . 1 . 2]" 1
613 2 30 ILE MG 2 31 GLN HG2 . . 4.640 4.571 4.073 4.707 0.067 10 0 "[ . 1 . 2]" 1
614 2 31 GLN HG2 2 38 ALA MB . . 3.610 2.097 1.905 2.276 . 0 0 "[ . 1 . 2]" 1
615 2 10 LEU MD2 2 18 GLN HG2 . . 5.210 3.246 3.004 4.080 . 0 0 "[ . 1 . 2]" 1
616 2 30 ILE MG 2 31 GLN HG3 . . 4.850 4.108 3.868 4.550 . 0 0 "[ . 1 . 2]" 1
617 2 30 ILE HA 2 31 GLN HG3 . . 5.500 5.553 5.408 5.801 0.301 16 0 "[ . 1 . 2]" 1
618 2 31 GLN HG2 2 35 PRO HA . . 3.790 1.969 1.943 1.995 . 0 0 "[ . 1 . 2]" 1
619 2 31 GLN HG3 2 35 PRO HA . . 3.820 3.351 3.149 3.565 . 0 0 "[ . 1 . 2]" 1
620 2 28 PRO HA 2 31 GLN HG2 . . 4.050 4.049 3.905 4.112 0.062 3 0 "[ . 1 . 2]" 1
621 2 28 PRO HA 2 31 GLN HG3 . . 4.170 2.790 2.174 3.169 . 0 0 "[ . 1 . 2]" 1
622 2 31 GLN HG2 2 38 ALA HA . . 4.720 4.637 4.214 4.833 0.113 20 0 "[ . 1 . 2]" 1
623 2 31 GLN HA 2 31 GLN HG2 . . 3.970 2.588 2.354 2.731 . 0 0 "[ . 1 . 2]" 1
624 2 41 ILE HA 2 44 MET HB2 . . 4.680 3.720 3.639 3.817 . 0 0 "[ . 1 . 2]" 1
625 2 5 LEU MD1 2 25 ARG HB2 . . 4.590 3.219 2.032 4.601 0.011 18 0 "[ . 1 . 2]" 1
626 1 6 LEU MD1 2 44 MET HB3 . . 4.240 2.715 2.038 3.107 . 0 0 "[ . 1 . 2]" 1
627 1 6 LEU MD1 2 44 MET HB2 . . 5.380 3.398 2.834 3.681 . 0 0 "[ . 1 . 2]" 1
628 2 44 MET HB2 2 45 LEU MD1 . . 5.500 2.639 2.569 2.703 . 0 0 "[ . 1 . 2]" 1
629 2 61 GLU QB 2 62 SER HA . . 4.530 4.102 3.976 4.317 . 0 0 "[ . 1 . 2]" 1
630 2 51 SER QB 2 53 LEU HG . . 5.500 5.545 5.511 5.573 0.073 17 0 "[ . 1 . 2]" 1
631 2 11 ALA MB 2 12 SER QB . . 4.660 3.593 3.286 4.167 . 0 0 "[ . 1 . 2]" 1
632 2 48 ILE HA 2 48 ILE MD . . 4.350 4.172 4.162 4.176 . 0 0 "[ . 1 . 2]" 1
633 2 22 LEU MD1 2 54 LEU HA . . 4.330 3.812 3.426 4.153 . 0 0 "[ . 1 . 2]" 1
634 2 54 LEU HA 2 54 LEU MD1 . . 4.640 3.816 3.797 3.843 . 0 0 "[ . 1 . 2]" 1
635 2 65 SER HA 2 68 ASP HB2 . . 4.290 3.871 3.092 4.238 . 0 0 "[ . 1 . 2]" 1
636 2 65 SER HA 2 68 ASP HB3 . . 4.290 2.998 2.708 3.891 . 0 0 "[ . 1 . 2]" 1
637 2 51 SER QB 2 52 GLU HB2 . . 4.810 4.061 3.990 4.166 . 0 0 "[ . 1 . 2]" 1
638 2 7 ALA MB 2 54 LEU HA . . 5.500 5.152 4.151 5.504 0.004 19 0 "[ . 1 . 2]" 1
639 2 27 PHE HA 2 30 ILE HB . . 4.250 3.692 3.509 3.852 . 0 0 "[ . 1 . 2]" 1
640 2 36 THR HA 2 36 THR MG . . 3.130 2.211 2.106 2.252 . 0 0 "[ . 1 . 2]" 1
641 2 27 PHE HA 2 42 THR MG . . 4.330 2.834 2.608 3.116 . 0 0 "[ . 1 . 2]" 1
642 2 30 ILE HA 2 67 VAL MG1 . . 5.500 3.955 3.741 4.099 . 0 0 "[ . 1 . 2]" 1
643 2 30 ILE HA 2 67 VAL MG2 . . 5.500 3.133 2.940 3.426 . 0 0 "[ . 1 . 2]" 1
644 2 41 ILE MG 2 42 THR HA . . 4.180 3.112 3.049 3.175 . 0 0 "[ . 1 . 2]" 1
645 2 66 LYS HA 2 66 LYS HE3 . . 4.470 2.675 2.495 3.166 . 0 0 "[ . 1 . 2]" 1
646 2 66 LYS HA 2 66 LYS HE2 . . 5.000 4.003 3.896 4.315 . 0 0 "[ . 1 . 2]" 1
647 2 30 ILE HG12 2 41 ILE MD . . 4.610 4.241 3.764 4.552 . 0 0 "[ . 1 . 2]" 1
648 1 8 VAL MG1 2 77 HIS HB2 . . 4.310 2.272 1.927 2.759 . 0 0 "[ . 1 . 2]" 1
649 1 8 VAL MG1 2 77 HIS HB3 . . 4.500 3.249 2.592 3.969 . 0 0 "[ . 1 . 2]" 1
650 1 8 VAL MG2 2 77 HIS HB2 . . 4.740 3.026 2.162 4.083 . 0 0 "[ . 1 . 2]" 1
651 1 8 VAL MG2 2 77 HIS HB3 . . 4.740 3.027 2.478 3.783 . 0 0 "[ . 1 . 2]" 1
652 2 59 SER HB2 2 62 SER QB . . 4.020 3.082 2.082 3.699 . 0 0 "[ . 1 . 2]" 1
653 2 59 SER HB3 2 62 SER QB . . 4.020 2.334 1.946 3.893 . 0 0 "[ . 1 . 2]" 1
654 2 56 MET HA 2 59 SER HB2 . . 4.660 4.136 3.057 4.668 0.008 5 0 "[ . 1 . 2]" 1
655 2 56 MET HA 2 59 SER HB3 . . 4.660 4.350 3.473 4.708 0.048 11 0 "[ . 1 . 2]" 1
656 2 37 LEU H 2 38 ALA H . . 4.050 2.591 2.407 2.679 . 0 0 "[ . 1 . 2]" 1
657 2 35 PRO HA 2 38 ALA H . . 4.180 3.915 3.773 3.998 . 0 0 "[ . 1 . 2]" 1
658 2 31 GLN HA 2 38 ALA H . . 4.660 4.513 4.356 4.679 0.019 8 0 "[ . 1 . 2]" 1
659 2 34 HIS HB2 2 38 ALA H . . 4.800 4.790 4.610 4.837 0.037 12 0 "[ . 1 . 2]" 1
660 2 34 HIS HB3 2 38 ALA H . . 4.710 3.579 3.321 3.881 . 0 0 "[ . 1 . 2]" 1
661 2 31 GLN HG3 2 38 ALA H . . 5.500 5.007 4.729 5.554 0.054 16 0 "[ . 1 . 2]" 1
662 2 37 LEU HB3 2 38 ALA H . . 4.520 4.353 4.315 4.393 . 0 0 "[ . 1 . 2]" 1
663 2 37 LEU HB2 2 38 ALA H . . 4.200 3.816 3.720 3.904 . 0 0 "[ . 1 . 2]" 1
664 2 38 ALA H 2 38 ALA MB . . 2.930 2.107 2.028 2.190 . 0 0 "[ . 1 . 2]" 1
665 2 30 ILE MG 2 38 ALA H . . 3.950 3.922 3.845 3.981 0.031 14 0 "[ . 1 . 2]" 1
666 2 37 LEU MD2 2 38 ALA H . . 4.380 4.167 4.097 4.247 . 0 0 "[ . 1 . 2]" 1
667 2 38 ALA H 2 41 ILE MD . . 4.500 3.290 3.107 3.570 . 0 0 "[ . 1 . 2]" 1
668 2 40 LYS H 2 41 ILE H . . 3.700 2.761 2.662 2.870 . 0 0 "[ . 1 . 2]" 1
669 2 40 LYS H 2 42 THR H . . 4.940 4.650 4.549 4.795 . 0 0 "[ . 1 . 2]" 1
670 2 40 LYS H 2 74 LEU MD1 . . 4.100 3.886 3.684 4.045 . 0 0 "[ . 1 . 2]" 1
671 2 11 ALA H 2 13 ALA H . . 4.580 3.897 3.400 4.496 . 0 0 "[ . 1 . 2]" 1
672 2 13 ALA H 2 18 GLN HE22 . . 5.260 5.178 5.074 5.259 . 0 0 "[ . 1 . 2]" 1
673 2 10 LEU HA 2 13 ALA H . . 4.300 3.764 3.533 4.319 0.019 8 0 "[ . 1 . 2]" 1
674 2 12 SER QB 2 13 ALA H . . 4.070 3.852 3.735 4.034 . 0 0 "[ . 1 . 2]" 1
675 2 13 ALA H 2 18 GLN HG2 . . 5.170 5.090 4.940 5.171 0.001 13 0 "[ . 1 . 2]" 1
676 2 13 ALA H 2 21 MET ME . . 4.870 4.768 4.606 4.876 0.006 1 0 "[ . 1 . 2]" 1
677 2 13 ALA H 2 13 ALA MB . . 2.830 2.480 2.382 2.632 . 0 0 "[ . 1 . 2]" 1
678 2 82 ALA H 2 83 ALA H . . 4.280 3.406 1.911 4.274 . 0 0 "[ . 1 . 2]" 1
679 2 81 GLU HA 2 82 ALA H . . 3.500 2.841 2.308 3.500 0.000 9 0 "[ . 1 . 2]" 1
680 2 82 ALA H 2 82 ALA MB . . 3.390 2.482 2.159 2.885 . 0 0 "[ . 1 . 2]" 1
681 2 2 GLN HA 2 3 GLU H . . 2.930 2.469 2.167 2.782 . 0 0 "[ . 1 . 2]" 1
682 2 2 GLN QG 2 3 GLU H . . 4.360 3.307 2.319 4.275 . 0 0 "[ . 1 . 2]" 1
683 2 3 GLU H 2 3 GLU QG . . 4.680 3.399 2.062 4.432 . 0 0 "[ . 1 . 2]" 1
684 2 52 GLU H 2 54 LEU H . . 4.170 4.138 4.053 4.209 0.039 16 0 "[ . 1 . 2]" 1
685 2 52 GLU H 2 53 LEU H . . 3.240 2.634 2.537 2.698 . 0 0 "[ . 1 . 2]" 1
686 2 51 SER QB 2 52 GLU H . . 3.660 2.615 2.463 2.795 . 0 0 "[ . 1 . 2]" 1
687 2 52 GLU H 2 52 GLU HB2 . . 3.330 2.442 2.390 2.528 . 0 0 "[ . 1 . 2]" 1
688 2 52 GLU H 2 52 GLU HB3 . . 3.360 2.615 2.537 2.681 . 0 0 "[ . 1 . 2]" 1
689 2 52 GLU H 2 56 MET ME . . 5.500 5.271 4.922 5.620 0.120 17 0 "[ . 1 . 2]" 1
690 2 52 GLU H 2 53 LEU HG . . 4.160 3.781 3.644 3.877 . 0 0 "[ . 1 . 2]" 1
691 2 52 GLU H 2 53 LEU MD2 . . 4.240 4.093 4.001 4.151 . 0 0 "[ . 1 . 2]" 1
692 2 6 THR HA 2 7 ALA H . . 3.410 2.408 2.157 3.240 . 0 0 "[ . 1 . 2]" 1
693 2 7 ALA H 2 7 ALA MB . . 3.340 2.196 2.028 2.898 . 0 0 "[ . 1 . 2]" 1
694 2 7 ALA H 2 54 LEU MD1 . . 4.930 4.172 3.248 4.942 0.012 10 0 "[ . 1 . 2]" 1
695 2 30 ILE H 2 31 GLN H . . 3.400 2.467 2.448 2.483 . 0 0 "[ . 1 . 2]" 1
696 2 31 GLN H 2 35 PRO HA . . 4.510 4.347 4.272 4.398 . 0 0 "[ . 1 . 2]" 1
697 2 29 LEU HA 2 31 GLN H . . 4.560 4.379 4.296 4.447 . 0 0 "[ . 1 . 2]" 1
698 2 31 GLN H 2 31 GLN HG3 . . 3.920 2.297 2.204 2.423 . 0 0 "[ . 1 . 2]" 1
699 2 30 ILE HB 2 31 GLN H . . 3.700 2.833 2.777 2.884 . 0 0 "[ . 1 . 2]" 1
700 2 31 GLN H 2 32 ALA MB . . 4.460 4.317 4.241 4.365 . 0 0 "[ . 1 . 2]" 1
701 2 6 THR MG 2 7 ALA H . . 4.100 2.998 1.901 4.191 0.091 14 0 "[ . 1 . 2]" 1
702 2 31 GLN H 2 38 ALA MB . . 3.270 2.994 2.828 3.161 . 0 0 "[ . 1 . 2]" 1
703 2 31 GLN H 2 33 MET H . . 4.600 4.464 4.394 4.547 . 0 0 "[ . 1 . 2]" 1
704 2 28 PRO HA 2 31 GLN H . . 3.890 3.180 3.160 3.205 . 0 0 "[ . 1 . 2]" 1
705 2 31 GLN H 2 31 GLN HB2 . . 3.400 2.441 2.400 2.481 . 0 0 "[ . 1 . 2]" 1
706 2 30 ILE MG 2 31 GLN H . . 3.940 3.422 3.342 3.484 . 0 0 "[ . 1 . 2]" 1
707 2 5 LEU H 2 6 THR H . . 4.710 4.549 4.222 4.627 . 0 0 "[ . 1 . 2]" 1
708 2 4 PRO HA 2 5 LEU H . . 2.790 2.368 2.198 2.633 . 0 0 "[ . 1 . 2]" 1
709 2 4 PRO HB2 2 5 LEU H . . 3.870 2.718 2.084 3.244 . 0 0 "[ . 1 . 2]" 1
710 2 4 PRO HG2 2 5 LEU H . . 5.500 4.487 3.968 4.829 . 0 0 "[ . 1 . 2]" 1
711 2 4 PRO HG3 2 5 LEU H . . 5.500 5.156 4.672 5.504 0.004 11 0 "[ . 1 . 2]" 1
712 2 4 PRO HB3 2 5 LEU H . . 3.870 3.515 3.213 3.813 . 0 0 "[ . 1 . 2]" 1
713 2 5 LEU H 2 5 LEU HB2 . . 3.510 2.524 2.170 3.077 . 0 0 "[ . 1 . 2]" 1
714 2 5 LEU H 2 5 LEU HB3 . . 3.510 2.797 2.246 3.570 0.060 11 0 "[ . 1 . 2]" 1
715 2 5 LEU H 2 5 LEU MD1 . . 4.350 3.871 2.347 4.235 . 0 0 "[ . 1 . 2]" 1
716 2 5 LEU H 2 5 LEU MD2 . . 4.350 4.168 3.742 4.350 . 0 0 "[ . 1 . 2]" 1
717 2 66 LYS HB3 2 70 ALA H . . 5.500 4.844 4.728 5.044 . 0 0 "[ . 1 . 2]" 1
718 2 70 ALA H 2 71 VAL HB . . 5.500 5.157 5.081 5.205 . 0 0 "[ . 1 . 2]" 1
719 2 79 ALA H 2 80 LYS H . . 3.720 3.163 2.648 3.729 0.009 19 0 "[ . 1 . 2]" 1
720 2 78 GLN HA 2 79 ALA H . . 3.570 2.289 2.139 3.522 . 0 0 "[ . 1 . 2]" 1
721 2 78 GLN QB 2 79 ALA H . . 4.060 3.160 2.633 3.907 . 0 0 "[ . 1 . 2]" 1
722 2 79 ALA H 2 79 ALA MB . . 2.890 2.366 2.085 2.877 . 0 0 "[ . 1 . 2]" 1
723 2 49 ASP H 2 50 ASN H . . 4.200 3.633 3.508 3.707 . 0 0 "[ . 1 . 2]" 1
724 2 50 ASN H 2 52 GLU H . . 5.070 4.318 4.216 4.413 . 0 0 "[ . 1 . 2]" 1
725 2 49 ASP HA 2 50 ASN H . . 2.880 2.151 2.143 2.170 . 0 0 "[ . 1 . 2]" 1
726 2 50 ASN H 2 50 ASN HB2 . . 3.790 2.472 2.264 3.573 . 0 0 "[ . 1 . 2]" 1
727 2 50 ASN H 2 50 ASN HB3 . . 3.790 3.530 2.743 3.588 . 0 0 "[ . 1 . 2]" 1
728 2 22 LEU MD1 2 50 ASN H . . 5.170 4.497 4.333 4.737 . 0 0 "[ . 1 . 2]" 1
729 2 50 ASN H 2 53 LEU MD2 . . 5.500 4.753 4.696 4.798 . 0 0 "[ . 1 . 2]" 1
730 2 70 ALA H 2 71 VAL H . . 3.350 3.013 2.990 3.026 . 0 0 "[ . 1 . 2]" 1
731 2 66 LYS HA 2 70 ALA H . . 4.340 3.885 3.747 4.022 . 0 0 "[ . 1 . 2]" 1
732 2 67 VAL HA 2 70 ALA H . . 3.950 3.810 3.722 3.885 . 0 0 "[ . 1 . 2]" 1
733 2 69 GLU QB 2 70 ALA H . . 3.380 2.350 2.260 2.508 . 0 0 "[ . 1 . 2]" 1
734 2 70 ALA H 2 70 ALA MB . . 2.950 2.047 2.026 2.135 . 0 0 "[ . 1 . 2]" 1
735 2 70 ALA H 2 73 VAL MG2 . . 4.480 4.273 4.095 4.384 . 0 0 "[ . 1 . 2]" 1
736 2 41 ILE MG 2 70 ALA H . . 4.400 4.264 4.034 4.401 0.001 20 0 "[ . 1 . 2]" 1
737 2 45 LEU MD1 2 70 ALA H . . 3.690 3.504 3.394 3.607 . 0 0 "[ . 1 . 2]" 1
738 2 70 ALA H 2 71 VAL MG2 . . 4.700 4.405 4.349 4.460 . 0 0 "[ . 1 . 2]" 1
739 2 9 MET H 2 10 LEU H . . 3.340 2.807 2.588 3.156 . 0 0 "[ . 1 . 2]" 1
740 2 6 THR H 2 9 MET H . . 4.310 3.687 3.221 4.166 . 0 0 "[ . 1 . 2]" 1
741 2 6 THR HA 2 9 MET H . . 5.500 4.882 4.495 5.522 0.022 14 0 "[ . 1 . 2]" 1
742 2 6 THR HB 2 9 MET H . . 5.500 4.010 2.554 5.189 . 0 0 "[ . 1 . 2]" 1
743 2 8 SER QB 2 9 MET H . . 3.810 2.761 2.336 3.520 . 0 0 "[ . 1 . 2]" 1
744 2 9 MET H 2 9 MET HG2 . . 3.910 2.923 1.994 3.993 0.083 19 0 "[ . 1 . 2]" 1
745 2 9 MET H 2 9 MET HG3 . . 3.910 3.245 2.243 3.702 . 0 0 "[ . 1 . 2]" 1
746 2 9 MET H 2 9 MET HB2 . . 3.650 2.434 2.249 3.556 . 0 0 "[ . 1 . 2]" 1
747 2 9 MET H 2 9 MET HB3 . . 3.650 3.500 2.311 3.592 . 0 0 "[ . 1 . 2]" 1
748 2 66 LYS H 2 66 LYS HG2 . . 4.010 2.326 2.200 2.623 . 0 0 "[ . 1 . 2]" 1
749 2 7 ALA MB 2 9 MET H . . 5.370 4.648 4.334 4.986 . 0 0 "[ . 1 . 2]" 1
750 2 9 MET H 2 11 ALA MB . . 5.500 4.405 4.115 4.981 . 0 0 "[ . 1 . 2]" 1
751 2 6 THR MG 2 9 MET H . . 4.550 3.438 1.844 4.558 0.008 20 0 "[ . 1 . 2]" 1
752 2 66 LYS H 2 67 VAL H . . 3.280 2.869 2.764 2.949 . 0 0 "[ . 1 . 2]" 1
753 2 66 LYS H 2 68 ASP H . . 4.360 4.325 4.213 4.381 0.021 6 0 "[ . 1 . 2]" 1
754 2 65 SER QB 2 66 LYS H . . 3.460 2.486 2.394 2.620 . 0 0 "[ . 1 . 2]" 1
755 2 66 LYS H 2 66 LYS HB3 . . 3.690 3.579 3.544 3.589 . 0 0 "[ . 1 . 2]" 1
756 2 66 LYS H 2 66 LYS HB2 . . 3.480 2.425 2.283 2.501 . 0 0 "[ . 1 . 2]" 1
757 2 66 LYS H 2 66 LYS HG3 . . 3.810 3.702 3.651 3.797 . 0 0 "[ . 1 . 2]" 1
758 2 66 LYS H 2 66 LYS QD . . 3.840 3.437 3.180 3.847 0.007 14 0 "[ . 1 . 2]" 1
759 2 66 LYS H 2 67 VAL MG2 . . 4.580 4.329 4.214 4.463 . 0 0 "[ . 1 . 2]" 1
760 2 45 LEU MD2 2 66 LYS H . . 4.810 4.704 4.571 4.817 0.007 10 0 "[ . 1 . 2]" 1
761 2 63 LEU H 2 64 ARG H . . 3.360 2.982 2.843 3.053 . 0 0 "[ . 1 . 2]" 1
762 2 60 PRO HA 2 63 LEU H . . 3.890 3.587 3.449 3.736 . 0 0 "[ . 1 . 2]" 1
763 2 62 SER QB 2 63 LEU H . . 3.570 2.366 2.231 2.531 . 0 0 "[ . 1 . 2]" 1
764 2 63 LEU H 2 63 LEU HB2 . . 3.270 2.595 2.418 2.781 . 0 0 "[ . 1 . 2]" 1
765 2 63 LEU H 2 63 LEU HB3 . . 3.440 2.426 2.259 2.593 . 0 0 "[ . 1 . 2]" 1
766 2 63 LEU H 2 63 LEU HG . . 4.820 4.471 4.278 4.603 . 0 0 "[ . 1 . 2]" 1
767 2 63 LEU H 2 63 LEU MD2 . . 4.170 4.073 3.924 4.201 0.031 8 0 "[ . 1 . 2]" 1
768 2 63 LEU H 2 63 LEU MD1 . . 4.280 4.127 4.049 4.188 . 0 0 "[ . 1 . 2]" 1
769 2 71 VAL H 2 72 ALA H . . 3.200 2.843 2.808 2.871 . 0 0 "[ . 1 . 2]" 1
770 2 72 ALA H 2 74 LEU H . . 4.360 4.205 4.126 4.278 . 0 0 "[ . 1 . 2]" 1
771 2 72 ALA H 2 73 VAL H . . 3.380 2.706 2.642 2.787 . 0 0 "[ . 1 . 2]" 1
772 2 68 ASP HA 2 72 ALA H . . 4.310 4.145 4.017 4.220 . 0 0 "[ . 1 . 2]" 1
773 2 69 GLU HA 2 72 ALA H . . 3.750 3.644 3.601 3.703 . 0 0 "[ . 1 . 2]" 1
774 2 70 ALA HA 2 72 ALA H . . 4.650 4.397 4.258 4.551 . 0 0 "[ . 1 . 2]" 1
775 2 72 ALA H 2 73 VAL HB . . 5.070 4.904 4.828 4.984 . 0 0 "[ . 1 . 2]" 1
776 2 71 VAL HB 2 72 ALA H . . 3.420 2.595 2.486 2.711 . 0 0 "[ . 1 . 2]" 1
777 2 72 ALA H 2 74 LEU HG . . 5.110 4.609 4.365 4.921 . 0 0 "[ . 1 . 2]" 1
778 2 72 ALA H 2 72 ALA MB . . 2.710 2.113 2.025 2.230 . 0 0 "[ . 1 . 2]" 1
779 2 72 ALA H 2 73 VAL MG2 . . 4.440 4.262 4.151 4.353 . 0 0 "[ . 1 . 2]" 1
780 2 71 VAL MG1 2 72 ALA H . . 3.660 3.548 3.431 3.648 . 0 0 "[ . 1 . 2]" 1
781 2 71 VAL MG2 2 72 ALA H . . 4.030 3.790 3.718 3.853 . 0 0 "[ . 1 . 2]" 1
782 2 63 LEU H 2 66 LYS H . . 4.890 4.823 4.736 4.916 0.026 14 0 "[ . 1 . 2]" 1
783 2 69 GLU H 2 72 ALA H . . 4.840 4.791 4.736 4.839 . 0 0 "[ . 1 . 2]" 1
784 2 74 LEU H 2 75 GLN H . . 3.340 2.761 2.620 2.811 . 0 0 "[ . 1 . 2]" 1
785 2 73 VAL H 2 74 LEU H . . 3.380 2.658 2.620 2.696 . 0 0 "[ . 1 . 2]" 1
786 2 74 LEU H 2 76 ALA H . . 4.500 4.322 4.068 4.486 . 0 0 "[ . 1 . 2]" 1
787 2 71 VAL HA 2 74 LEU H . . 3.990 3.476 3.434 3.524 . 0 0 "[ . 1 . 2]" 1
788 2 73 VAL HB 2 74 LEU H . . 3.550 2.626 2.539 2.714 . 0 0 "[ . 1 . 2]" 1
789 2 74 LEU H 2 74 LEU HB2 . . 3.330 2.701 2.597 2.774 . 0 0 "[ . 1 . 2]" 1
790 2 74 LEU H 2 74 LEU HG . . 3.350 2.074 1.956 2.162 . 0 0 "[ . 1 . 2]" 1
791 2 74 LEU H 2 74 LEU HB3 . . 3.790 3.573 3.560 3.586 . 0 0 "[ . 1 . 2]" 1
792 2 73 VAL MG2 2 74 LEU H . . 4.120 3.876 3.831 3.929 . 0 0 "[ . 1 . 2]" 1
793 2 73 VAL MG1 2 74 LEU H . . 3.540 3.446 3.333 3.540 0.000 13 0 "[ . 1 . 2]" 1
794 1 6 LEU MD1 2 74 LEU H . . 5.150 4.488 4.249 4.952 . 0 0 "[ . 1 . 2]" 1
795 2 71 VAL MG1 2 74 LEU H . . 5.390 4.528 4.447 4.662 . 0 0 "[ . 1 . 2]" 1
796 2 69 GLU H 2 70 ALA H . . 3.310 2.894 2.855 2.930 . 0 0 "[ . 1 . 2]" 1
797 2 66 LYS HA 2 69 GLU H . . 4.040 3.716 3.622 3.846 . 0 0 "[ . 1 . 2]" 1
798 2 68 ASP HB2 2 69 GLU H . . 4.020 3.711 2.976 3.915 . 0 0 "[ . 1 . 2]" 1
799 2 68 ASP HB3 2 69 GLU H . . 4.020 2.384 2.217 2.677 . 0 0 "[ . 1 . 2]" 1
800 2 69 GLU H 2 69 GLU QB . . 3.130 2.256 2.069 2.390 . 0 0 "[ . 1 . 2]" 1
801 2 74 LEU HB2 2 76 ALA H . . 5.130 4.954 4.737 5.128 . 0 0 "[ . 1 . 2]" 1
802 2 69 GLU H 2 70 ALA MB . . 4.960 4.383 4.341 4.409 . 0 0 "[ . 1 . 2]" 1
803 2 69 GLU H 2 72 ALA MB . . 5.370 4.510 4.405 4.595 . 0 0 "[ . 1 . 2]" 1
804 2 67 VAL MG1 2 69 GLU H . . 5.440 5.135 4.998 5.282 . 0 0 "[ . 1 . 2]" 1
805 2 45 LEU MD1 2 69 GLU H . . 5.500 5.396 5.232 5.502 0.002 2 0 "[ . 1 . 2]" 1
806 2 75 GLN H 2 76 ALA H . . 3.150 2.744 2.631 2.805 . 0 0 "[ . 1 . 2]" 1
807 2 74 LEU HA 2 76 ALA H . . 4.070 3.797 3.558 4.064 . 0 0 "[ . 1 . 2]" 1
808 2 73 VAL HA 2 76 ALA H . . 4.200 3.665 3.490 4.072 . 0 0 "[ . 1 . 2]" 1
809 2 75 GLN HB2 2 76 ALA H . . 4.270 3.911 3.302 4.169 . 0 0 "[ . 1 . 2]" 1
810 2 75 GLN HB3 2 76 ALA H . . 4.270 2.963 2.690 3.716 . 0 0 "[ . 1 . 2]" 1
811 2 76 ALA H 2 76 ALA MB . . 2.650 2.162 2.064 2.278 . 0 0 "[ . 1 . 2]" 1
812 2 67 VAL H 2 68 ASP H . . 3.010 2.906 2.846 2.951 . 0 0 "[ . 1 . 2]" 1
813 2 67 VAL H 2 69 GLU H . . 4.600 4.460 4.331 4.608 0.008 13 0 "[ . 1 . 2]" 1
814 2 67 VAL H 2 68 ASP HA . . 5.500 5.457 5.415 5.489 . 0 0 "[ . 1 . 2]" 1
815 2 66 LYS HE3 2 67 VAL H . . 5.500 4.974 4.878 5.094 . 0 0 "[ . 1 . 2]" 1
816 2 67 VAL H 2 67 VAL HB . . 3.220 2.582 2.545 2.606 . 0 0 "[ . 1 . 2]" 1
817 2 66 LYS HB3 2 67 VAL H . . 3.780 3.242 3.180 3.323 . 0 0 "[ . 1 . 2]" 1
818 2 66 LYS HB2 2 67 VAL H . . 3.870 2.332 2.236 2.511 . 0 0 "[ . 1 . 2]" 1
819 2 66 LYS HG2 2 67 VAL H . . 4.530 4.322 4.219 4.544 0.014 14 0 "[ . 1 . 2]" 1
820 2 66 LYS HG3 2 67 VAL H . . 5.070 4.730 4.667 4.851 . 0 0 "[ . 1 . 2]" 1
821 2 67 VAL H 2 70 ALA MB . . 5.450 4.571 4.475 4.665 . 0 0 "[ . 1 . 2]" 1
822 2 67 VAL H 2 67 VAL MG1 . . 3.810 3.766 3.764 3.766 . 0 0 "[ . 1 . 2]" 1
823 2 67 VAL H 2 67 VAL MG2 . . 3.110 2.094 1.920 2.228 . 0 0 "[ . 1 . 2]" 1
824 2 45 LEU MD2 2 67 VAL H . . 3.880 3.300 3.093 3.516 . 0 0 "[ . 1 . 2]" 1
825 2 50 ASN HA 2 53 LEU H . . 3.880 3.303 3.237 3.339 . 0 0 "[ . 1 . 2]" 1
826 2 52 GLU HB2 2 53 LEU H . . 4.040 3.875 3.827 3.960 . 0 0 "[ . 1 . 2]" 1
827 2 52 GLU HB3 2 53 LEU H . . 3.660 2.713 2.617 2.807 . 0 0 "[ . 1 . 2]" 1
828 2 53 LEU H 2 53 LEU HB2 . . 3.980 2.844 2.823 2.866 . 0 0 "[ . 1 . 2]" 1
829 2 53 LEU H 2 54 LEU HB2 . . 4.550 4.486 4.359 4.559 0.009 20 0 "[ . 1 . 2]" 1
830 2 53 LEU H 2 53 LEU HG . . 3.440 1.889 1.867 1.909 . 0 0 "[ . 1 . 2]" 1
831 2 53 LEU H 2 53 LEU HB3 . . 3.910 3.549 3.534 3.561 . 0 0 "[ . 1 . 2]" 1
832 2 53 LEU H 2 53 LEU MD2 . . 3.520 2.458 2.383 2.564 . 0 0 "[ . 1 . 2]" 1
833 2 81 GLU H 2 82 ALA H . . 3.940 3.014 2.400 3.867 . 0 0 "[ . 1 . 2]" 1
834 2 79 ALA H 2 81 GLU H . . 4.320 3.270 2.703 4.195 . 0 0 "[ . 1 . 2]" 1
835 2 78 GLN HA 2 81 GLU H . . 4.480 4.331 3.474 4.487 0.007 8 0 "[ . 1 . 2]" 1
836 2 80 LYS H 2 81 GLU H . . 3.970 2.627 1.941 2.901 . 0 0 "[ . 1 . 2]" 1
837 2 80 LYS HA 2 81 GLU H . . 3.500 2.971 2.666 3.465 . 0 0 "[ . 1 . 2]" 1
838 2 79 ALA MB 2 81 GLU H . . 4.300 4.007 3.552 4.299 . 0 0 "[ . 1 . 2]" 1
839 2 14 PRO HD3 2 17 GLU H . . 5.500 4.845 4.804 4.932 . 0 0 "[ . 1 . 2]" 1
840 2 17 GLU H 2 18 GLN HG3 . . 4.790 4.459 4.279 4.672 . 0 0 "[ . 1 . 2]" 1
841 2 14 PRO HB2 2 17 GLU H . . 3.890 3.048 2.992 3.208 . 0 0 "[ . 1 . 2]" 1
842 2 17 GLU H 2 17 GLU QG . . 3.800 3.085 2.465 4.007 0.207 6 0 "[ . 1 . 2]" 1
843 2 16 GLN QB 2 17 GLU H . . 3.280 2.565 2.284 3.322 0.042 8 0 "[ . 1 . 2]" 1
844 2 13 ALA MB 2 17 GLU H . . 4.410 4.244 4.029 4.401 . 0 0 "[ . 1 . 2]" 1
845 2 45 LEU HA 2 48 ILE H . . 4.400 3.885 3.809 3.934 . 0 0 "[ . 1 . 2]" 1
846 2 27 PHE HA 2 30 ILE H . . 4.510 4.103 4.065 4.151 . 0 0 "[ . 1 . 2]" 1
847 2 48 ILE H 2 48 ILE HB . . 3.780 3.589 3.584 3.595 . 0 0 "[ . 1 . 2]" 1
848 2 29 LEU HB2 2 30 ILE H . . 4.060 3.671 3.601 3.878 . 0 0 "[ . 1 . 2]" 1
849 2 30 ILE H 2 30 ILE HG13 . . 3.620 2.498 2.365 2.672 . 0 0 "[ . 1 . 2]" 1
850 2 30 ILE H 2 30 ILE HB . . 3.440 2.397 2.363 2.438 . 0 0 "[ . 1 . 2]" 1
851 2 48 ILE H 2 48 ILE HG13 . . 3.580 2.354 2.283 2.489 . 0 0 "[ . 1 . 2]" 1
852 2 30 ILE H 2 38 ALA MB . . 4.510 4.171 4.089 4.320 . 0 0 "[ . 1 . 2]" 1
853 2 48 ILE H 2 48 ILE MG . . 3.390 2.775 2.696 2.839 . 0 0 "[ . 1 . 2]" 1
854 2 48 ILE H 2 48 ILE MD . . 4.190 3.608 3.586 3.623 . 0 0 "[ . 1 . 2]" 1
855 2 29 LEU HB3 2 30 ILE H . . 4.060 2.660 2.509 2.797 . 0 0 "[ . 1 . 2]" 1
856 2 68 ASP H 2 70 ALA H . . 4.570 4.405 4.287 4.480 . 0 0 "[ . 1 . 2]" 1
857 2 68 ASP H 2 69 GLU H . . 3.320 2.858 2.815 2.911 . 0 0 "[ . 1 . 2]" 1
858 2 68 ASP H 2 69 GLU HA . . 5.500 5.413 5.386 5.448 . 0 0 "[ . 1 . 2]" 1
859 2 68 ASP H 2 68 ASP HB2 . . 3.370 2.505 2.070 2.716 . 0 0 "[ . 1 . 2]" 1
860 2 68 ASP H 2 68 ASP HB3 . . 3.370 2.579 2.357 3.316 . 0 0 "[ . 1 . 2]" 1
861 2 33 MET HG3 2 68 ASP H . . 5.500 5.511 5.379 5.540 0.040 12 0 "[ . 1 . 2]" 1
862 2 67 VAL HB 2 68 ASP H . . 3.340 2.394 2.327 2.538 . 0 0 "[ . 1 . 2]" 1
863 2 68 ASP H 2 70 ALA MB . . 5.110 4.826 4.706 4.900 . 0 0 "[ . 1 . 2]" 1
864 2 67 VAL MG1 2 68 ASP H . . 3.640 3.274 3.177 3.438 . 0 0 "[ . 1 . 2]" 1
865 2 67 VAL MG2 2 68 ASP H . . 3.910 3.772 3.727 3.805 . 0 0 "[ . 1 . 2]" 1
866 2 45 LEU MD2 2 68 ASP H . . 5.500 5.357 5.196 5.510 0.010 15 0 "[ . 1 . 2]" 1
867 2 63 LEU MD1 2 68 ASP H . . 5.500 5.266 4.955 5.520 0.020 8 0 "[ . 1 . 2]" 1
868 2 73 VAL H 2 73 VAL HB . . 3.210 2.494 2.433 2.523 . 0 0 "[ . 1 . 2]" 1
869 2 73 VAL H 2 74 LEU HG . . 4.140 4.036 3.912 4.154 0.014 10 0 "[ . 1 . 2]" 1
870 2 72 ALA MB 2 73 VAL H . . 3.180 2.620 2.506 2.742 . 0 0 "[ . 1 . 2]" 1
871 2 73 VAL H 2 73 VAL MG2 . . 3.120 2.342 2.289 2.446 . 0 0 "[ . 1 . 2]" 1
872 2 73 VAL H 2 73 VAL MG1 . . 3.830 3.759 3.747 3.763 . 0 0 "[ . 1 . 2]" 1
873 2 77 HIS H 2 78 GLN H . . 3.960 2.618 2.165 2.817 . 0 0 "[ . 1 . 2]" 1
874 2 69 GLU HA 2 73 VAL H . . 4.560 4.309 4.258 4.371 . 0 0 "[ . 1 . 2]" 1
875 2 77 HIS HB2 2 78 GLN H . . 4.340 3.334 2.462 3.797 . 0 0 "[ . 1 . 2]" 1
876 2 71 VAL HA 2 73 VAL H . . 4.460 4.382 4.250 4.429 . 0 0 "[ . 1 . 2]" 1
877 2 77 HIS HB3 2 78 GLN H . . 4.340 2.097 1.944 2.758 . 0 0 "[ . 1 . 2]" 1
878 2 2 GLN H 2 2 GLN QG . . 4.360 3.151 2.036 4.211 . 0 0 "[ . 1 . 2]" 1
879 2 44 MET ME 2 45 LEU H . . 3.860 3.532 3.431 3.680 . 0 0 "[ . 1 . 2]" 1
880 2 45 LEU H 2 45 LEU HB3 . . 3.500 3.490 3.474 3.501 0.001 12 0 "[ . 1 . 2]" 1
881 2 45 LEU H 2 70 ALA MB . . 4.330 4.048 3.904 4.148 . 0 0 "[ . 1 . 2]" 1
882 1 10 ALA MB 2 45 LEU H . . 5.500 5.513 5.419 5.544 0.044 18 0 "[ . 1 . 2]" 1
883 2 41 ILE MG 2 45 LEU H . . 4.330 4.027 3.909 4.138 . 0 0 "[ . 1 . 2]" 1
884 2 45 LEU H 2 45 LEU MD1 . . 3.360 2.068 1.969 2.250 . 0 0 "[ . 1 . 2]" 1
885 2 24 GLU H 2 26 LEU H . . 4.360 3.932 3.811 4.074 . 0 0 "[ . 1 . 2]" 1
886 2 25 ARG H 2 26 LEU H . . 3.220 2.467 2.443 2.509 . 0 0 "[ . 1 . 2]" 1
887 2 22 LEU HA 2 26 LEU H . . 4.950 4.173 4.012 4.309 . 0 0 "[ . 1 . 2]" 1
888 2 25 ARG HB2 2 26 LEU H . . 3.980 3.310 2.948 3.942 . 0 0 "[ . 1 . 2]" 1
889 2 25 ARG HB3 2 26 LEU H . . 3.980 3.341 2.780 3.962 . 0 0 "[ . 1 . 2]" 1
890 2 26 LEU H 2 26 LEU HB2 . . 3.190 2.080 2.072 2.094 . 0 0 "[ . 1 . 2]" 1
891 2 26 LEU H 2 26 LEU HB3 . . 3.700 3.319 3.263 3.378 . 0 0 "[ . 1 . 2]" 1
892 2 26 LEU H 2 26 LEU MD1 . . 3.430 2.903 2.695 3.027 . 0 0 "[ . 1 . 2]" 1
893 2 17 GLU H 2 18 GLN H . . 3.220 2.613 2.533 2.698 . 0 0 "[ . 1 . 2]" 1
894 2 18 GLN H 2 19 LYS H . . 3.570 3.089 2.983 3.200 . 0 0 "[ . 1 . 2]" 1
895 2 52 GLU HA 2 56 MET H . . 4.670 4.407 4.291 4.487 . 0 0 "[ . 1 . 2]" 1
896 2 41 ILE HA 2 44 MET H . . 4.050 3.913 3.850 3.961 . 0 0 "[ . 1 . 2]" 1
897 2 44 MET HG2 2 45 LEU H . . 5.140 4.974 4.931 5.034 . 0 0 "[ . 1 . 2]" 1
898 2 44 MET HG3 2 45 LEU H . . 4.500 4.106 4.041 4.198 . 0 0 "[ . 1 . 2]" 1
899 2 18 GLN H 2 18 GLN HG3 . . 3.480 2.607 2.462 2.771 . 0 0 "[ . 1 . 2]" 1
900 2 18 GLN H 2 18 GLN HG2 . . 3.500 2.634 2.539 2.771 . 0 0 "[ . 1 . 2]" 1
901 2 18 GLN H 2 18 GLN HB3 . . 3.660 3.589 3.584 3.592 . 0 0 "[ . 1 . 2]" 1
902 2 44 MET HB2 2 45 LEU H . . 3.900 2.527 2.476 2.575 . 0 0 "[ . 1 . 2]" 1
903 2 44 MET H 2 44 MET HB2 . . 3.620 2.598 2.546 2.627 . 0 0 "[ . 1 . 2]" 1
904 2 78 GLN H 2 78 GLN QB . . 3.240 2.911 2.571 3.248 0.008 1 0 "[ . 1 . 2]" 1
905 2 44 MET HB3 2 45 LEU H . . 3.940 3.694 3.628 3.753 . 0 0 "[ . 1 . 2]" 1
906 2 18 GLN H 2 18 GLN HB2 . . 3.730 2.539 2.445 2.616 . 0 0 "[ . 1 . 2]" 1
907 2 44 MET H 2 44 MET ME . . 3.920 2.973 2.831 3.095 . 0 0 "[ . 1 . 2]" 1
908 2 18 GLN H 2 19 LYS HG3 . . 5.500 5.242 4.866 5.512 0.012 4 0 "[ . 1 . 2]" 1
909 2 18 GLN H 2 19 LYS HG2 . . 4.570 4.029 3.860 4.136 . 0 0 "[ . 1 . 2]" 1
910 2 76 ALA MB 2 78 GLN H . . 5.310 4.957 4.529 5.288 . 0 0 "[ . 1 . 2]" 1
911 2 44 MET H 2 45 LEU HB2 . . 4.730 4.539 4.488 4.586 . 0 0 "[ . 1 . 2]" 1
912 2 45 LEU H 2 45 LEU HB2 . . 3.700 2.177 2.155 2.193 . 0 0 "[ . 1 . 2]" 1
913 2 74 LEU MD2 2 78 GLN H . . 5.500 4.678 3.946 5.376 . 0 0 "[ . 1 . 2]" 1
914 2 44 MET H 2 45 LEU MD1 . . 4.050 3.926 3.876 3.996 . 0 0 "[ . 1 . 2]" 1
915 2 19 LYS H 2 20 GLN H . . 3.530 2.736 2.597 2.782 . 0 0 "[ . 1 . 2]" 1
916 1 13 PHE QD 2 20 GLN H . . 5.320 4.868 4.496 5.247 . 0 0 "[ . 1 . 2]" 1
917 2 78 GLN HA 2 80 LYS H . . 4.960 4.748 4.139 4.963 0.003 3 0 "[ . 1 . 2]" 1
918 2 19 LYS HG3 2 20 GLN H . . 4.260 2.510 2.156 2.888 . 0 0 "[ . 1 . 2]" 1
919 2 19 LYS HG2 2 20 GLN H . . 4.420 2.767 2.460 3.124 . 0 0 "[ . 1 . 2]" 1
920 2 79 ALA MB 2 80 LYS H . . 3.790 3.052 1.921 3.718 . 0 0 "[ . 1 . 2]" 1
921 2 20 GLN H 2 46 LEU MD1 . . 4.590 4.363 4.239 4.536 . 0 0 "[ . 1 . 2]" 1
922 2 20 GLN H 2 22 LEU H . . 4.380 4.263 3.952 4.371 . 0 0 "[ . 1 . 2]" 1
923 2 19 LYS HB2 2 20 GLN H . . 3.950 3.774 3.677 3.921 . 0 0 "[ . 1 . 2]" 1
924 2 20 GLN H 2 21 MET H . . 3.390 2.954 2.858 3.037 . 0 0 "[ . 1 . 2]" 1
925 2 18 GLN H 2 20 GLN H . . 4.240 3.870 3.764 3.972 . 0 0 "[ . 1 . 2]" 1
926 2 17 GLU HA 2 20 GLN H . . 3.780 3.412 3.215 3.490 . 0 0 "[ . 1 . 2]" 1
927 2 20 GLN H 2 21 MET QG . . 4.700 4.460 4.309 4.578 . 0 0 "[ . 1 . 2]" 1
928 2 20 GLN H 2 20 GLN QB . . 3.270 2.307 2.047 2.571 . 0 0 "[ . 1 . 2]" 1
929 2 19 LYS HB3 2 20 GLN H . . 4.200 4.093 4.012 4.154 . 0 0 "[ . 1 . 2]" 1
930 2 20 GLN H 2 21 MET ME . . 4.590 4.542 4.420 4.598 0.008 4 0 "[ . 1 . 2]" 1
931 2 44 MET H 2 45 LEU H . . 3.690 2.685 2.643 2.723 . 0 0 "[ . 1 . 2]" 1
932 2 56 MET H 2 58 GLU H . . 4.240 3.853 3.691 4.043 . 0 0 "[ . 1 . 2]" 1
933 2 55 HIS HB3 2 56 MET H . . 3.930 3.284 3.106 3.403 . 0 0 "[ . 1 . 2]" 1
934 2 44 MET H 2 44 MET HB3 . . 4.030 3.590 3.587 3.594 . 0 0 "[ . 1 . 2]" 1
935 2 56 MET H 2 56 MET ME . . 4.410 3.839 3.594 4.055 . 0 0 "[ . 1 . 2]" 1
936 2 44 MET H 2 44 MET HG2 . . 3.750 3.377 3.273 3.511 . 0 0 "[ . 1 . 2]" 1
937 2 44 MET H 2 44 MET HG3 . . 3.490 1.979 1.938 2.083 . 0 0 "[ . 1 . 2]" 1
938 2 13 ALA MB 2 18 GLN H . . 3.990 3.940 3.797 3.996 0.006 15 0 "[ . 1 . 2]" 1
939 2 56 MET H 2 57 LEU HB3 . . 4.570 4.315 4.205 4.601 0.031 8 0 "[ . 1 . 2]" 1
940 2 22 LEU H 2 23 GLY H . . 3.550 2.986 2.839 3.030 . 0 0 "[ . 1 . 2]" 1
941 2 21 MET QG 2 22 LEU H . . 4.260 3.849 3.798 3.959 . 0 0 "[ . 1 . 2]" 1
942 2 21 MET HB2 2 22 LEU H . . 3.670 2.259 2.158 2.504 . 0 0 "[ . 1 . 2]" 1
943 2 21 MET HB3 2 22 LEU H . . 4.050 3.451 3.315 3.693 . 0 0 "[ . 1 . 2]" 1
944 2 21 MET ME 2 22 LEU H . . 4.310 3.406 3.186 3.951 . 0 0 "[ . 1 . 2]" 1
945 2 22 LEU H 2 22 LEU HB2 . . 3.790 2.428 2.216 2.495 . 0 0 "[ . 1 . 2]" 1
946 2 22 LEU H 2 22 LEU HB3 . . 3.790 2.591 2.516 2.841 . 0 0 "[ . 1 . 2]" 1
947 2 22 LEU H 2 22 LEU MD1 . . 5.070 4.131 4.061 4.181 . 0 0 "[ . 1 . 2]" 1
948 2 22 LEU H 2 22 LEU MD2 . . 4.330 4.132 4.061 4.303 . 0 0 "[ . 1 . 2]" 1
949 2 6 THR H 2 10 LEU H . . 5.210 5.017 3.925 5.227 0.017 4 0 "[ . 1 . 2]" 1
950 2 18 GLN HA 2 22 LEU H . . 4.340 3.663 3.505 3.905 . 0 0 "[ . 1 . 2]" 1
951 2 9 MET HG2 2 10 LEU H . . 5.070 4.552 2.611 5.063 . 0 0 "[ . 1 . 2]" 1
952 2 9 MET HG3 2 10 LEU H . . 5.070 4.631 2.710 5.007 . 0 0 "[ . 1 . 2]" 1
953 2 10 LEU H 2 10 LEU HB2 . . 3.060 2.403 2.148 2.784 . 0 0 "[ . 1 . 2]" 1
954 2 10 LEU H 2 11 ALA MB . . 4.380 4.030 3.830 4.368 . 0 0 "[ . 1 . 2]" 1
955 2 48 ILE HB 2 49 ASP H . . 3.490 2.709 2.679 2.752 . 0 0 "[ . 1 . 2]" 1
956 2 10 LEU H 2 21 MET ME . . 4.350 4.043 3.406 4.349 . 0 0 "[ . 1 . 2]" 1
957 2 48 ILE HG12 2 49 ASP H . . 4.070 3.444 3.369 3.486 . 0 0 "[ . 1 . 2]" 1
958 2 49 ASP H 2 53 LEU HG . . 4.620 3.995 3.956 4.033 . 0 0 "[ . 1 . 2]" 1
959 2 48 ILE HG13 2 49 ASP H . . 4.070 1.818 1.782 1.849 . 0 0 "[ . 1 . 2]" 1
960 2 48 ILE MG 2 49 ASP H . . 3.990 3.939 3.931 3.954 . 0 0 "[ . 1 . 2]" 1
961 2 48 ILE MD 2 49 ASP H . . 4.320 3.023 2.896 3.226 . 0 0 "[ . 1 . 2]" 1
962 2 49 ASP H 2 53 LEU MD2 . . 4.490 2.950 2.858 3.046 . 0 0 "[ . 1 . 2]" 1
963 2 23 GLY H 2 24 GLU H . . 3.570 2.819 2.707 2.942 . 0 0 "[ . 1 . 2]" 1
964 2 73 VAL H 2 75 GLN H . . 4.260 4.136 3.896 4.265 0.005 4 0 "[ . 1 . 2]" 1
965 1 13 PHE QE 2 24 GLU H . . 4.200 3.866 3.479 4.201 0.001 15 0 "[ . 1 . 2]" 1
966 2 24 GLU H 2 25 ARG H . . 3.510 2.751 2.622 2.866 . 0 0 "[ . 1 . 2]" 1
967 1 13 PHE QD 2 24 GLU H . . 4.320 4.237 4.082 4.374 0.054 6 0 "[ . 1 . 2]" 1
968 2 21 MET HA 2 24 GLU H . . 3.980 3.723 3.533 3.936 . 0 0 "[ . 1 . 2]" 1
969 2 75 GLN H 2 75 GLN HB2 . . 3.410 2.440 2.061 3.474 0.064 1 0 "[ . 1 . 2]" 1
970 2 24 GLU H 2 24 GLU QB . . 3.340 2.255 2.152 2.371 . 0 0 "[ . 1 . 2]" 1
971 2 24 GLU H 2 46 LEU MD1 . . 4.330 4.094 4.002 4.233 . 0 0 "[ . 1 . 2]" 1
972 2 72 ALA HA 2 75 GLN H . . 3.990 3.706 3.577 3.790 . 0 0 "[ . 1 . 2]" 1
973 2 75 GLN H 2 75 GLN HB3 . . 3.410 2.688 2.163 3.297 . 0 0 "[ . 1 . 2]" 1
974 2 74 LEU HB2 2 75 GLN H . . 3.680 2.804 2.492 3.108 . 0 0 "[ . 1 . 2]" 1
975 2 74 LEU HG 2 75 GLN H . . 4.320 4.158 4.028 4.331 0.011 10 0 "[ . 1 . 2]" 1
976 2 41 ILE MG 2 71 VAL H . . 4.200 4.065 3.988 4.164 . 0 0 "[ . 1 . 2]" 1
977 2 53 LEU HB2 2 54 LEU H . . 3.840 2.716 2.625 2.804 . 0 0 "[ . 1 . 2]" 1
978 2 53 LEU HG 2 54 LEU H . . 3.710 3.701 3.634 3.732 0.022 15 0 "[ . 1 . 2]" 1
979 2 54 LEU H 2 54 LEU HB3 . . 3.640 3.506 3.465 3.560 . 0 0 "[ . 1 . 2]" 1
980 2 53 LEU HB3 2 54 LEU H . . 4.320 3.998 3.932 4.059 . 0 0 "[ . 1 . 2]" 1
981 2 54 LEU H 2 57 LEU MD1 . . 4.400 4.263 4.102 4.355 . 0 0 "[ . 1 . 2]" 1
982 2 54 LEU H 2 54 LEU MD2 . . 4.240 3.815 3.517 3.976 . 0 0 "[ . 1 . 2]" 1
983 2 50 ASN HA 2 54 LEU H . . 4.910 4.368 4.303 4.409 . 0 0 "[ . 1 . 2]" 1
984 2 52 GLU HA 2 54 LEU H . . 5.290 4.339 4.272 4.434 . 0 0 "[ . 1 . 2]" 1
985 2 61 GLU HA 2 64 ARG H . . 4.530 4.315 4.098 4.534 0.004 11 0 "[ . 1 . 2]" 1
986 2 54 LEU H 2 55 HIS HB2 . . 4.700 4.661 4.617 4.686 . 0 0 "[ . 1 . 2]" 1
987 2 54 LEU H 2 54 LEU HB2 . . 3.270 2.210 2.143 2.334 . 0 0 "[ . 1 . 2]" 1
988 2 63 LEU HB3 2 64 ARG H . . 3.640 2.263 2.070 2.464 . 0 0 "[ . 1 . 2]" 1
989 2 63 LEU HG 2 64 ARG H . . 4.820 3.729 2.573 4.519 . 0 0 "[ . 1 . 2]" 1
990 2 22 LEU MD1 2 54 LEU H . . 3.650 3.416 3.151 3.662 0.012 12 0 "[ . 1 . 2]" 1
991 2 62 SER H 2 64 ARG H . . 4.610 4.217 4.021 4.382 . 0 0 "[ . 1 . 2]" 1
992 2 77 HIS H 2 77 HIS HB2 . . 3.630 2.653 2.181 2.942 . 0 0 "[ . 1 . 2]" 1
993 2 77 HIS H 2 77 HIS HB3 . . 3.630 2.762 2.469 3.478 . 0 0 "[ . 1 . 2]" 1
994 2 76 ALA MB 2 77 HIS H . . 3.600 2.758 2.535 3.009 . 0 0 "[ . 1 . 2]" 1
995 2 69 GLU H 2 71 VAL H . . 4.820 4.621 4.572 4.652 . 0 0 "[ . 1 . 2]" 1
996 2 73 VAL HA 2 75 GLN H . . 4.720 3.949 3.770 4.401 . 0 0 "[ . 1 . 2]" 1
997 2 67 VAL MG1 2 71 VAL H . . 4.130 3.825 3.729 3.915 . 0 0 "[ . 1 . 2]" 1
998 2 71 VAL H 2 74 LEU MD1 . . 4.590 4.304 4.097 4.489 . 0 0 "[ . 1 . 2]" 1
999 2 71 VAL H 2 73 VAL H . . 4.550 4.312 4.195 4.349 . 0 0 "[ . 1 . 2]" 1
1000 2 68 ASP HA 2 71 VAL H . . 4.140 3.910 3.856 3.952 . 0 0 "[ . 1 . 2]" 1
1001 2 67 VAL HA 2 71 VAL H . . 4.500 3.964 3.905 4.020 . 0 0 "[ . 1 . 2]" 1
1002 2 70 ALA MB 2 71 VAL H . . 3.200 2.340 2.308 2.369 . 0 0 "[ . 1 . 2]" 1
1003 2 71 VAL H 2 71 VAL MG1 . . 3.940 3.762 3.758 3.767 . 0 0 "[ . 1 . 2]" 1
1004 2 71 VAL H 2 71 VAL MG2 . . 3.070 2.018 1.974 2.054 . 0 0 "[ . 1 . 2]" 1
1005 2 26 LEU H 2 27 PHE H . . 3.520 2.444 2.439 2.450 . 0 0 "[ . 1 . 2]" 1
1006 2 27 PHE H 2 27 PHE QD . . 4.300 3.895 3.703 4.120 . 0 0 "[ . 1 . 2]" 1
1007 2 27 PHE H 2 28 PRO QG . . 4.430 4.093 4.083 4.105 . 0 0 "[ . 1 . 2]" 1
1008 2 26 LEU HB2 2 27 PHE H . . 3.640 3.284 3.204 3.363 . 0 0 "[ . 1 . 2]" 1
1009 2 26 LEU HB3 2 27 PHE H . . 4.020 3.365 3.301 3.433 . 0 0 "[ . 1 . 2]" 1
1010 2 27 PHE H 2 42 THR MG . . 4.210 4.172 4.039 4.237 0.027 14 0 "[ . 1 . 2]" 1
1011 2 26 LEU MD1 2 27 PHE H . . 4.670 4.587 4.498 4.670 0.000 2 0 "[ . 1 . 2]" 1
1012 2 61 GLU H 2 62 SER H . . 3.750 2.626 2.507 2.689 . 0 0 "[ . 1 . 2]" 1
1013 2 60 PRO HD2 2 61 GLU H . . 4.530 2.735 2.677 2.748 . 0 0 "[ . 1 . 2]" 1
1014 2 38 ALA HA 2 41 ILE H . . 4.260 3.776 3.621 3.990 . 0 0 "[ . 1 . 2]" 1
1015 2 60 PRO HD3 2 61 GLU H . . 4.530 3.866 3.843 3.872 . 0 0 "[ . 1 . 2]" 1
1016 2 61 GLU H 2 61 GLU QB . . 3.210 2.300 2.165 2.627 . 0 0 "[ . 1 . 2]" 1
1017 2 41 ILE H 2 41 ILE HB . . 3.170 2.523 2.485 2.563 . 0 0 "[ . 1 . 2]" 1
1018 2 37 LEU HB2 2 41 ILE H . . 5.020 4.593 4.396 4.732 . 0 0 "[ . 1 . 2]" 1
1019 2 38 ALA MB 2 41 ILE H . . 5.180 4.814 4.696 4.975 . 0 0 "[ . 1 . 2]" 1
1020 2 41 ILE H 2 74 LEU MD1 . . 3.430 3.299 3.094 3.452 0.022 8 0 "[ . 1 . 2]" 1
1021 2 41 ILE H 2 41 ILE MD . . 3.760 3.187 3.039 3.310 . 0 0 "[ . 1 . 2]" 1
1022 2 21 MET H 2 22 LEU H . . 3.540 2.849 2.728 2.920 . 0 0 "[ . 1 . 2]" 1
1023 2 17 GLU HA 2 21 MET H . . 4.210 3.685 3.566 3.993 . 0 0 "[ . 1 . 2]" 1
1024 2 18 GLN HA 2 21 MET H . . 4.090 4.054 3.959 4.139 0.049 20 0 "[ . 1 . 2]" 1
1025 2 21 MET H 2 21 MET QG . . 3.450 1.946 1.922 2.099 . 0 0 "[ . 1 . 2]" 1
1026 2 20 GLN QB 2 21 MET H . . 3.700 2.068 1.936 2.211 . 0 0 "[ . 1 . 2]" 1
1027 2 21 MET H 2 21 MET HB2 . . 3.330 2.610 2.519 2.630 . 0 0 "[ . 1 . 2]" 1
1028 2 21 MET H 2 21 MET ME . . 3.650 2.985 2.829 3.094 . 0 0 "[ . 1 . 2]" 1
1029 2 64 ARG H 2 64 ARG QB . . 2.910 2.303 2.143 2.530 . 0 0 "[ . 1 . 2]" 1
1030 2 62 SER H 2 63 LEU H . . 3.310 2.482 2.386 2.537 . 0 0 "[ . 1 . 2]" 1
1031 2 74 LEU HA 2 77 HIS H . . 4.440 3.290 2.910 3.629 . 0 0 "[ . 1 . 2]" 1
1032 2 62 SER H 2 62 SER QB . . 3.350 2.335 2.192 2.537 . 0 0 "[ . 1 . 2]" 1
1033 2 61 GLU QB 2 62 SER H . . 3.600 3.068 2.889 3.613 0.013 12 0 "[ . 1 . 2]" 1
1034 2 62 SER H 2 63 LEU HB3 . . 4.550 4.422 4.272 4.563 0.013 17 0 "[ . 1 . 2]" 1
1035 2 9 MET H 2 11 ALA H . . 4.560 4.030 3.676 4.423 . 0 0 "[ . 1 . 2]" 1
1036 2 11 ALA H 2 18 GLN HE21 . . 5.060 4.973 4.783 5.088 0.028 18 0 "[ . 1 . 2]" 1
1037 2 8 SER HA 2 11 ALA H . . 3.820 3.521 3.057 3.830 0.010 4 0 "[ . 1 . 2]" 1
1038 2 8 SER QB 2 11 ALA H . . 5.150 4.790 4.458 5.031 . 0 0 "[ . 1 . 2]" 1
1039 2 11 ALA H 2 21 MET ME . . 5.360 4.949 4.435 5.369 0.009 8 0 "[ . 1 . 2]" 1
1040 2 10 LEU HB2 2 11 ALA H . . 4.100 3.573 2.850 4.140 0.040 18 0 "[ . 1 . 2]" 1
1041 2 11 ALA H 2 11 ALA MB . . 2.750 2.258 2.041 2.409 . 0 0 "[ . 1 . 2]" 1
1042 2 56 MET HA 2 58 GLU H . . 4.380 3.499 3.346 3.705 . 0 0 "[ . 1 . 2]" 1
1043 2 58 GLU H 2 58 GLU QG . . 3.350 2.376 2.155 2.619 . 0 0 "[ . 1 . 2]" 1
1044 2 58 GLU H 2 58 GLU QB . . 3.250 2.536 2.260 2.694 . 0 0 "[ . 1 . 2]" 1
1045 2 57 LEU HB2 2 58 GLU H . . 4.470 4.357 4.338 4.371 . 0 0 "[ . 1 . 2]" 1
1046 2 57 LEU HG 2 58 GLU H . . 4.780 4.582 4.476 4.684 . 0 0 "[ . 1 . 2]" 1
1047 2 57 LEU HB3 2 58 GLU H . . 4.140 4.053 3.950 4.156 0.016 20 0 "[ . 1 . 2]" 1
1048 2 57 LEU MD1 2 58 GLU H . . 4.500 1.991 1.911 2.074 . 0 0 "[ . 1 . 2]" 1
1049 2 57 LEU MD2 2 58 GLU H . . 4.210 3.204 3.105 3.280 . 0 0 "[ . 1 . 2]" 1
1050 2 29 LEU H 2 30 ILE HB . . 5.220 4.970 4.929 4.999 . 0 0 "[ . 1 . 2]" 1
1051 2 29 LEU H 2 30 ILE H . . 3.200 2.799 2.764 2.838 . 0 0 "[ . 1 . 2]" 1
1052 2 26 LEU HA 2 29 LEU H . . 4.300 3.292 3.243 3.371 . 0 0 "[ . 1 . 2]" 1
1053 2 28 PRO HB3 2 29 LEU H . . 4.150 4.022 3.955 4.081 . 0 0 "[ . 1 . 2]" 1
1054 2 28 PRO QG 2 29 LEU H . . 3.640 2.123 2.008 2.230 . 0 0 "[ . 1 . 2]" 1
1055 2 28 PRO HB2 2 29 LEU H . . 3.280 3.128 3.011 3.230 . 0 0 "[ . 1 . 2]" 1
1056 2 29 LEU H 2 29 LEU MD1 . . 4.290 4.262 4.128 4.289 . 0 0 "[ . 1 . 2]" 1
1057 2 29 LEU H 2 29 LEU MD2 . . 4.020 3.629 3.463 3.925 . 0 0 "[ . 1 . 2]" 1
1058 2 32 ALA H 2 34 HIS H . . 4.110 4.025 3.761 4.140 0.030 12 0 "[ . 1 . 2]" 1
1059 2 30 ILE HA 2 32 ALA H . . 4.370 3.616 3.595 3.654 . 0 0 "[ . 1 . 2]" 1
1060 2 31 GLN HB2 2 32 ALA H . . 3.540 3.125 3.079 3.155 . 0 0 "[ . 1 . 2]" 1
1061 2 31 GLN HB3 2 32 ALA H . . 4.100 3.961 3.929 4.014 . 0 0 "[ . 1 . 2]" 1
1062 2 16 GLN H 2 17 GLU H . . 4.050 2.289 2.218 2.430 . 0 0 "[ . 1 . 2]" 1
1063 2 14 PRO HA 2 16 GLN H . . 4.050 3.974 3.964 3.995 . 0 0 "[ . 1 . 2]" 1
1064 2 14 PRO HB2 2 16 GLN H . . 4.400 2.206 2.203 2.211 . 0 0 "[ . 1 . 2]" 1
1065 2 15 PRO HB3 2 16 GLN H . . 4.510 4.405 4.379 4.418 . 0 0 "[ . 1 . 2]" 1
1066 2 16 GLN H 2 16 GLN QB . . 3.570 2.431 2.220 2.869 . 0 0 "[ . 1 . 2]" 1
1067 2 14 PRO HB3 2 16 GLN H . . 4.260 3.937 3.934 3.944 . 0 0 "[ . 1 . 2]" 1
1068 2 46 LEU H 2 48 ILE H . . 4.630 4.485 4.407 4.555 . 0 0 "[ . 1 . 2]" 1
1069 2 34 HIS H 2 35 PRO HD2 . . 4.260 4.007 3.861 4.062 . 0 0 "[ . 1 . 2]" 1
1070 2 31 GLN HA 2 34 HIS H . . 4.170 3.137 2.963 3.285 . 0 0 "[ . 1 . 2]" 1
1071 2 34 HIS H 2 35 PRO HD3 . . 4.240 3.244 3.029 3.330 . 0 0 "[ . 1 . 2]" 1
1072 2 34 HIS H 2 34 HIS HB2 . . 3.910 2.529 2.469 2.676 . 0 0 "[ . 1 . 2]" 1
1073 2 33 MET HG2 2 34 HIS H . . 4.140 2.009 1.934 2.339 . 0 0 "[ . 1 . 2]" 1
1074 2 33 MET HG3 2 34 HIS H . . 3.540 3.288 3.009 3.544 0.004 5 0 "[ . 1 . 2]" 1
1075 2 33 MET ME 2 34 HIS H . . 3.980 3.553 3.232 3.979 . 0 0 "[ . 1 . 2]" 1
1076 2 32 ALA MB 2 34 HIS H . . 4.650 4.424 4.319 4.541 . 0 0 "[ . 1 . 2]" 1
1077 2 34 HIS H 2 67 VAL MG1 . . 4.210 3.613 3.438 3.847 . 0 0 "[ . 1 . 2]" 1
1078 2 45 LEU H 2 46 LEU H . . 3.450 2.653 2.616 2.707 . 0 0 "[ . 1 . 2]" 1
1079 2 46 LEU H 2 47 GLU H . . 3.650 2.363 2.342 2.392 . 0 0 "[ . 1 . 2]" 1
1080 2 43 GLY HA3 2 46 LEU H . . 4.770 4.630 4.571 4.690 . 0 0 "[ . 1 . 2]" 1
1081 2 43 GLY HA2 2 46 LEU H . . 4.200 3.744 3.687 3.826 . 0 0 "[ . 1 . 2]" 1
1082 2 46 LEU H 2 46 LEU HB3 . . 3.040 2.340 2.263 2.413 . 0 0 "[ . 1 . 2]" 1
1083 2 46 LEU H 2 46 LEU HB2 . . 3.550 2.793 2.696 2.906 . 0 0 "[ . 1 . 2]" 1
1084 2 45 LEU HB2 2 46 LEU H . . 4.110 3.032 2.993 3.100 . 0 0 "[ . 1 . 2]" 1
1085 2 46 LEU H 2 53 LEU MD1 . . 3.900 3.693 3.582 3.778 . 0 0 "[ . 1 . 2]" 1
1086 2 46 LEU H 2 53 LEU MD2 . . 4.910 4.746 4.619 4.942 0.032 19 0 "[ . 1 . 2]" 1
1087 2 46 LEU H 2 46 LEU MD2 . . 3.950 3.815 3.649 3.922 . 0 0 "[ . 1 . 2]" 1
1088 2 31 GLN H 2 32 ALA H . . 3.320 2.679 2.659 2.698 . 0 0 "[ . 1 . 2]" 1
1089 2 32 ALA H 2 33 MET H . . 3.270 2.740 2.661 2.785 . 0 0 "[ . 1 . 2]" 1
1090 2 32 ALA H 2 32 ALA MB . . 2.770 2.177 2.070 2.235 . 0 0 "[ . 1 . 2]" 1
1091 2 56 MET H 2 57 LEU H . . 3.480 2.307 2.235 2.576 . 0 0 "[ . 1 . 2]" 1
1092 2 57 LEU H 2 58 GLU H . . 3.310 2.617 2.589 2.643 . 0 0 "[ . 1 . 2]" 1
1093 2 57 LEU H 2 57 LEU HB2 . . 3.610 3.540 3.508 3.573 . 0 0 "[ . 1 . 2]" 1
1094 2 57 LEU H 2 57 LEU HG . . 3.940 3.751 3.668 3.831 . 0 0 "[ . 1 . 2]" 1
1095 2 57 LEU H 2 57 LEU HB3 . . 3.460 2.282 2.207 2.369 . 0 0 "[ . 1 . 2]" 1
1096 2 57 LEU H 2 57 LEU MD1 . . 3.720 1.813 1.776 1.854 . 0 0 "[ . 1 . 2]" 1
1097 2 57 LEU H 2 57 LEU MD2 . . 4.090 3.885 3.763 3.986 . 0 0 "[ . 1 . 2]" 1
1098 2 55 HIS H 2 57 LEU H . . 3.960 3.657 3.502 3.952 . 0 0 "[ . 1 . 2]" 1
1099 2 57 LEU H 2 58 GLU QB . . 5.040 4.689 4.444 4.849 . 0 0 "[ . 1 . 2]" 1
1100 2 41 ILE H 2 42 THR H . . 3.650 2.951 2.896 2.987 . 0 0 "[ . 1 . 2]" 1
1101 2 42 THR H 2 44 MET H . . 4.930 4.811 4.773 4.838 . 0 0 "[ . 1 . 2]" 1
1102 2 39 GLY QA 2 42 THR H . . 4.230 3.885 3.764 3.963 . 0 0 "[ . 1 . 2]" 1
1103 2 38 ALA HA 2 42 THR H . . 4.170 3.651 3.543 3.816 . 0 0 "[ . 1 . 2]" 1
1104 2 42 THR H 2 42 THR HB . . 3.830 2.325 2.164 2.417 . 0 0 "[ . 1 . 2]" 1
1105 2 41 ILE HB 2 42 THR H . . 3.570 2.201 2.181 2.238 . 0 0 "[ . 1 . 2]" 1
1106 2 38 ALA MB 2 42 THR H . . 4.590 4.357 4.251 4.460 . 0 0 "[ . 1 . 2]" 1
1107 2 42 THR H 2 42 THR MG . . 3.610 2.516 2.302 2.908 . 0 0 "[ . 1 . 2]" 1
1108 2 41 ILE MD 2 42 THR H . . 4.400 4.020 3.928 4.119 . 0 0 "[ . 1 . 2]" 1
1109 2 25 ARG H 2 27 PHE H . . 4.380 3.952 3.828 4.101 . 0 0 "[ . 1 . 2]" 1
1110 2 22 LEU HA 2 25 ARG H . . 4.470 3.727 3.603 3.834 . 0 0 "[ . 1 . 2]" 1
1111 2 25 ARG H 2 25 ARG HD2 . . 5.500 4.408 2.444 5.490 . 0 0 "[ . 1 . 2]" 1
1112 2 25 ARG H 2 25 ARG HD3 . . 5.500 4.620 3.194 5.470 . 0 0 "[ . 1 . 2]" 1
1113 2 24 GLU QB 2 25 ARG H . . 3.950 2.587 2.433 2.681 . 0 0 "[ . 1 . 2]" 1
1114 2 25 ARG H 2 25 ARG HB2 . . 3.720 2.253 2.128 2.522 . 0 0 "[ . 1 . 2]" 1
1115 2 25 ARG H 2 25 ARG HB3 . . 3.720 3.243 2.586 3.600 . 0 0 "[ . 1 . 2]" 1
1116 2 25 ARG H 2 26 LEU HB2 . . 4.500 4.271 4.240 4.299 . 0 0 "[ . 1 . 2]" 1
1117 2 47 GLU H 2 48 ILE MG . . 5.010 4.860 4.796 4.920 . 0 0 "[ . 1 . 2]" 1
1118 2 47 GLU H 2 48 ILE MD . . 4.810 4.594 4.572 4.614 . 0 0 "[ . 1 . 2]" 1
1119 2 25 ARG H 2 26 LEU MD1 . . 4.550 4.344 4.204 4.477 . 0 0 "[ . 1 . 2]" 1
1120 2 47 GLU H 2 48 ILE H . . 3.390 2.640 2.609 2.669 . 0 0 "[ . 1 . 2]" 1
1121 2 45 LEU HA 2 47 GLU H . . 4.420 4.006 3.975 4.036 . 0 0 "[ . 1 . 2]" 1
1122 2 47 GLU H 2 47 GLU HB2 . . 3.600 2.436 2.218 2.676 . 0 0 "[ . 1 . 2]" 1
1123 2 47 GLU H 2 47 GLU HB3 . . 3.600 2.721 2.441 3.513 . 0 0 "[ . 1 . 2]" 1
1124 2 46 LEU HB3 2 47 GLU H . . 4.000 3.121 3.040 3.173 . 0 0 "[ . 1 . 2]" 1
1125 2 46 LEU HB2 2 47 GLU H . . 4.260 4.213 4.154 4.272 0.012 13 0 "[ . 1 . 2]" 1
1126 2 46 LEU MD2 2 47 GLU H . . 4.020 3.376 3.187 3.558 . 0 0 "[ . 1 . 2]" 1
1127 2 33 MET H 2 34 HIS H . . 3.050 1.919 1.847 1.976 . 0 0 "[ . 1 . 2]" 1
1128 2 30 ILE HA 2 33 MET H . . 4.200 3.935 3.764 4.043 . 0 0 "[ . 1 . 2]" 1
1129 2 33 MET H 2 33 MET HG2 . . 3.660 1.973 1.915 2.076 . 0 0 "[ . 1 . 2]" 1
1130 2 33 MET H 2 33 MET HG3 . . 3.710 3.592 3.500 3.658 . 0 0 "[ . 1 . 2]" 1
1131 2 33 MET H 2 33 MET HB2 . . 3.790 3.712 3.648 3.764 . 0 0 "[ . 1 . 2]" 1
1132 2 33 MET H 2 33 MET HB3 . . 3.790 3.280 3.094 3.468 . 0 0 "[ . 1 . 2]" 1
1133 2 32 ALA MB 2 33 MET H . . 3.480 2.812 2.663 2.952 . 0 0 "[ . 1 . 2]" 1
1134 2 33 MET H 2 67 VAL MG1 . . 4.450 4.426 4.359 4.476 0.026 10 0 "[ . 1 . 2]" 1
1135 2 30 ILE MG 2 33 MET H . . 4.360 3.969 3.909 4.065 . 0 0 "[ . 1 . 2]" 1
1136 2 51 SER H 2 53 LEU H . . 4.320 4.185 4.124 4.259 . 0 0 "[ . 1 . 2]" 1
1137 2 51 SER H 2 52 GLU H . . 3.270 2.817 2.755 2.869 . 0 0 "[ . 1 . 2]" 1
1138 2 51 SER H 2 51 SER QB . . 3.270 2.128 2.075 2.166 . 0 0 "[ . 1 . 2]" 1
1139 2 50 ASN HB2 2 51 SER H . . 4.200 2.646 2.465 3.429 . 0 0 "[ . 1 . 2]" 1
1140 2 50 ASN HB3 2 51 SER H . . 4.200 3.460 3.253 4.018 . 0 0 "[ . 1 . 2]" 1
1141 2 22 LEU MD1 2 51 SER H . . 5.080 4.377 4.188 4.539 . 0 0 "[ . 1 . 2]" 1
1142 2 51 SER H 2 54 LEU MD1 . . 5.500 4.598 4.278 4.808 . 0 0 "[ . 1 . 2]" 1
1143 2 57 LEU H 2 59 SER H . . 4.640 4.395 4.201 4.667 0.027 10 0 "[ . 1 . 2]" 1
1144 2 57 LEU HA 2 59 SER H . . 4.000 3.522 3.287 3.768 . 0 0 "[ . 1 . 2]" 1
1145 2 59 SER H 2 62 SER QB . . 4.380 3.454 3.000 3.729 . 0 0 "[ . 1 . 2]" 1
1146 2 56 MET HA 2 59 SER H . . 4.560 3.992 3.410 4.568 0.008 12 0 "[ . 1 . 2]" 1
1147 2 59 SER H 2 59 SER HB2 . . 3.820 2.937 2.247 3.503 . 0 0 "[ . 1 . 2]" 1
1148 2 59 SER H 2 59 SER HB3 . . 3.820 3.152 2.456 3.686 . 0 0 "[ . 1 . 2]" 1
1149 2 58 GLU QG 2 59 SER H . . 4.150 3.769 2.532 4.197 0.047 20 0 "[ . 1 . 2]" 1
1150 2 57 LEU HB2 2 59 SER H . . 5.500 5.254 5.027 5.522 0.022 17 0 "[ . 1 . 2]" 1
1151 2 58 GLU QB 2 59 SER H . . 4.040 3.530 2.895 4.038 . 0 0 "[ . 1 . 2]" 1
1152 2 57 LEU MD2 2 59 SER H . . 4.660 4.274 4.071 4.489 . 0 0 "[ . 1 . 2]" 1
1153 2 5 LEU HB2 2 6 THR H . . 4.270 3.943 2.609 4.332 0.062 17 0 "[ . 1 . 2]" 1
1154 2 5 LEU HA 2 6 THR H . . 2.890 2.321 2.157 2.753 . 0 0 "[ . 1 . 2]" 1
1155 2 5 LEU HB3 2 6 THR H . . 4.270 3.478 2.048 4.136 . 0 0 "[ . 1 . 2]" 1
1156 2 6 THR H 2 6 THR MG . . 4.130 3.234 2.363 4.057 . 0 0 "[ . 1 . 2]" 1
1157 2 5 LEU MD1 2 6 THR H . . 4.160 2.732 1.877 4.216 0.056 11 0 "[ . 1 . 2]" 1
1158 2 19 LYS H 2 21 MET H . . 5.180 4.948 4.852 5.089 . 0 0 "[ . 1 . 2]" 1
1159 2 16 GLN HA 2 19 LYS H . . 4.370 4.135 4.013 4.275 . 0 0 "[ . 1 . 2]" 1
1160 2 19 LYS H 2 19 LYS HB3 . . 3.610 2.628 2.558 2.697 . 0 0 "[ . 1 . 2]" 1
1161 2 19 LYS H 2 19 LYS HG3 . . 3.530 3.222 2.893 3.475 . 0 0 "[ . 1 . 2]" 1
1162 2 19 LYS H 2 19 LYS HG2 . . 3.800 1.967 1.930 2.077 . 0 0 "[ . 1 . 2]" 1
1163 2 19 LYS H 2 46 LEU MD1 . . 4.940 4.469 4.299 4.668 . 0 0 "[ . 1 . 2]" 1
1164 2 19 LYS H 2 46 LEU MD2 . . 5.500 4.942 4.485 5.334 . 0 0 "[ . 1 . 2]" 1
1165 2 18 GLN HG2 2 19 LYS H . . 4.520 4.493 4.456 4.549 0.029 18 0 "[ . 1 . 2]" 1
1166 2 18 GLN HB3 2 19 LYS H . . 3.750 3.040 2.860 3.239 . 0 0 "[ . 1 . 2]" 1
1167 2 19 LYS H 2 21 MET ME . . 5.200 5.014 4.887 5.094 . 0 0 "[ . 1 . 2]" 1
1168 2 19 LYS H 2 19 LYS HB2 . . 3.750 3.586 3.578 3.592 . 0 0 "[ . 1 . 2]" 1
1169 2 63 LEU H 2 65 SER H . . 4.400 4.097 3.927 4.216 . 0 0 "[ . 1 . 2]" 1
1170 2 61 GLU HA 2 65 SER H . . 4.510 4.029 3.844 4.410 . 0 0 "[ . 1 . 2]" 1
1171 2 65 SER H 2 66 LYS HB2 . . 5.130 4.862 4.712 4.962 . 0 0 "[ . 1 . 2]" 1
1172 2 10 LEU HB2 2 18 GLN HE21 . . 5.150 4.188 3.214 5.151 0.001 8 0 "[ . 1 . 2]" 1
1173 2 65 SER H 2 67 VAL H . . 4.660 4.448 4.318 4.535 . 0 0 "[ . 1 . 2]" 1
1174 2 18 GLN H 2 18 GLN HE21 . . 5.050 4.755 4.629 4.922 . 0 0 "[ . 1 . 2]" 1
1175 2 65 SER H 2 66 LYS H . . 3.040 2.827 2.681 2.911 . 0 0 "[ . 1 . 2]" 1
1176 2 15 PRO HA 2 18 GLN HE21 . . 4.510 4.115 3.840 4.436 . 0 0 "[ . 1 . 2]" 1
1177 2 10 LEU HA 2 18 GLN HE21 . . 3.960 3.337 2.956 3.621 . 0 0 "[ . 1 . 2]" 1
1178 2 65 SER H 2 65 SER QB . . 2.960 2.206 2.134 2.262 . 0 0 "[ . 1 . 2]" 1
1179 2 18 GLN HA 2 18 GLN HE21 . . 4.460 4.399 4.228 4.468 0.008 6 0 "[ . 1 . 2]" 1
1180 2 13 ALA MB 2 18 GLN HE21 . . 4.200 3.559 3.452 3.687 . 0 0 "[ . 1 . 2]" 1
1181 2 62 SER H 2 65 SER H . . 4.770 4.468 4.337 4.649 . 0 0 "[ . 1 . 2]" 1
1182 2 15 PRO HA 2 18 GLN HE22 . . 5.100 4.781 4.487 5.095 . 0 0 "[ . 1 . 2]" 1
1183 2 10 LEU HA 2 18 GLN HE22 . . 4.530 4.276 3.828 4.553 0.023 20 0 "[ . 1 . 2]" 1
1184 2 11 ALA HA 2 18 GLN HE22 . . 4.790 4.211 3.655 4.570 . 0 0 "[ . 1 . 2]" 1
1185 2 18 GLN HE22 2 18 GLN HG3 . . 4.030 3.760 3.732 3.831 . 0 0 "[ . 1 . 2]" 1
1186 2 18 GLN HE22 2 18 GLN HG2 . . 4.030 3.495 3.459 3.513 . 0 0 "[ . 1 . 2]" 1
1187 2 13 ALA MB 2 18 GLN HE22 . . 4.960 4.939 4.879 4.972 0.012 6 0 "[ . 1 . 2]" 1
1188 2 11 ALA H 2 12 SER H . . 3.370 2.524 1.989 2.914 . 0 0 "[ . 1 . 2]" 1
1189 2 12 SER H 2 13 ALA H . . 3.240 2.823 2.498 3.119 . 0 0 "[ . 1 . 2]" 1
1190 2 12 SER H 2 12 SER QB . . 3.330 2.492 2.295 2.957 . 0 0 "[ . 1 . 2]" 1
1191 2 11 ALA MB 2 12 SER H . . 3.510 2.427 1.942 2.865 . 0 0 "[ . 1 . 2]" 1
1192 2 12 SER H 2 13 ALA MB . . 4.230 3.743 3.478 3.869 . 0 0 "[ . 1 . 2]" 1
1193 2 19 LYS HA 2 23 GLY H . . 4.000 3.001 2.826 3.192 . 0 0 "[ . 1 . 2]" 1
1194 2 22 LEU HB2 2 23 GLY H . . 4.210 3.641 3.490 3.733 . 0 0 "[ . 1 . 2]" 1
1195 2 23 GLY H 2 26 LEU HB2 . . 4.810 4.443 4.258 4.577 . 0 0 "[ . 1 . 2]" 1
1196 2 22 LEU HB3 2 23 GLY H . . 4.210 2.194 2.139 2.299 . 0 0 "[ . 1 . 2]" 1
1197 2 22 LEU MD1 2 23 GLY H . . 4.600 4.390 4.329 4.462 . 0 0 "[ . 1 . 2]" 1
1198 2 23 GLY H 2 46 LEU MD1 . . 3.330 2.422 2.262 2.673 . 0 0 "[ . 1 . 2]" 1
1199 2 10 LEU MD1 2 23 GLY H . . 5.500 5.244 4.962 5.476 . 0 0 "[ . 1 . 2]" 1
1200 2 10 LEU MD2 2 23 GLY H . . 5.500 5.078 4.662 5.369 . 0 0 "[ . 1 . 2]" 1
1201 2 50 ASN H 2 50 ASN HD21 . . 4.850 3.659 3.107 4.261 . 0 0 "[ . 1 . 2]" 1
1202 2 18 GLN HB3 2 50 ASN HD21 . . 4.560 2.926 2.261 3.482 . 0 0 "[ . 1 . 2]" 1
1203 2 18 GLN HB2 2 50 ASN HD21 . . 4.510 3.234 2.761 3.935 . 0 0 "[ . 1 . 2]" 1
1204 2 22 LEU MD1 2 50 ASN HD21 . . 4.580 3.869 2.755 4.352 . 0 0 "[ . 1 . 2]" 1
1205 2 18 GLN HB3 2 50 ASN HD22 . . 4.560 3.927 2.811 4.565 0.005 13 0 "[ . 1 . 2]" 1
1206 2 18 GLN HB2 2 50 ASN HD22 . . 4.510 3.901 3.417 4.418 . 0 0 "[ . 1 . 2]" 1
1207 2 22 LEU MD1 2 50 ASN HD22 . . 4.580 4.239 3.811 4.602 0.022 2 0 "[ . 1 . 2]" 1
1208 2 42 THR H 2 43 GLY H . . 3.740 2.722 2.688 2.768 . 0 0 "[ . 1 . 2]" 1
1209 2 42 THR HB 2 43 GLY H . . 4.300 3.815 3.625 3.919 . 0 0 "[ . 1 . 2]" 1
1210 2 43 GLY H 2 46 LEU HB3 . . 5.020 4.977 4.876 5.044 0.024 17 0 "[ . 1 . 2]" 1
1211 2 42 THR MG 2 43 GLY H . . 3.850 2.170 2.142 2.199 . 0 0 "[ . 1 . 2]" 1
1212 2 5 LEU MD2 2 6 THR H . . 4.160 3.596 2.004 4.187 0.027 4 0 "[ . 1 . 2]" 1
1213 2 6 THR H 2 9 MET ME . . 4.290 3.579 2.485 4.291 0.001 13 0 "[ . 1 . 2]" 1
1214 2 74 LEU HA 2 78 GLN H . . 4.090 3.684 2.927 4.114 0.024 16 0 "[ . 1 . 2]" 1
1215 2 30 ILE H 2 30 ILE MD . . 3.720 3.446 3.143 3.652 . 0 0 "[ . 1 . 2]" 1
1216 2 30 ILE MD 2 42 THR H . . 3.860 2.266 2.129 2.511 . 0 0 "[ . 1 . 2]" 1
1217 2 43 GLY H 2 44 MET H . . 3.230 2.908 2.867 2.937 . 0 0 "[ . 1 . 2]" 1
1218 2 55 HIS HB2 2 56 MET H . . 4.100 3.861 3.653 3.965 . 0 0 "[ . 1 . 2]" 1
1219 2 54 LEU HA 2 56 MET H . . 4.460 4.298 4.179 4.437 . 0 0 "[ . 1 . 2]" 1
1220 2 48 ILE H 2 49 ASP H . . 4.200 3.246 3.227 3.256 . 0 0 "[ . 1 . 2]" 1
1221 2 48 ILE H 2 48 ILE HG12 . . 3.580 2.022 1.921 2.085 . 0 0 "[ . 1 . 2]" 1
1222 2 22 LEU MD2 2 53 LEU H . . 5.070 4.934 4.738 5.079 0.009 15 0 "[ . 1 . 2]" 1
1223 2 53 LEU H 2 53 LEU MD1 . . 3.920 3.581 3.564 3.594 . 0 0 "[ . 1 . 2]" 1
1224 2 53 LEU H 2 56 MET ME . . 4.480 3.687 3.396 3.953 . 0 0 "[ . 1 . 2]" 1
1225 2 53 LEU H 2 54 LEU H . . 3.480 2.575 2.500 2.649 . 0 0 "[ . 1 . 2]" 1
1226 2 54 LEU H 2 55 HIS H . . 3.390 2.631 2.595 2.694 . 0 0 "[ . 1 . 2]" 1
1227 2 55 HIS H 2 56 MET H . . 3.360 1.945 1.873 2.024 . 0 0 "[ . 1 . 2]" 1
1228 2 53 LEU H 2 55 HIS H . . 4.250 3.948 3.906 3.990 . 0 0 "[ . 1 . 2]" 1
1229 2 52 GLU HA 2 55 HIS H . . 3.950 3.674 3.587 3.764 . 0 0 "[ . 1 . 2]" 1
1230 2 54 LEU HB2 2 55 HIS H . . 3.590 3.277 3.172 3.394 . 0 0 "[ . 1 . 2]" 1
1231 2 54 LEU HB3 2 55 HIS H . . 3.920 3.806 3.676 3.939 0.019 20 0 "[ . 1 . 2]" 1
1232 2 53 LEU MD2 2 55 HIS H . . 5.460 5.002 4.943 5.106 . 0 0 "[ . 1 . 2]" 1
1233 2 54 LEU MD1 2 55 HIS H . . 5.500 5.062 4.974 5.159 . 0 0 "[ . 1 . 2]" 1
1234 2 54 LEU MD2 2 55 HIS H . . 4.730 4.725 4.683 4.752 0.022 11 0 "[ . 1 . 2]" 1
1235 2 53 LEU HB2 2 55 HIS H . . 4.980 4.696 4.626 4.783 . 0 0 "[ . 1 . 2]" 1
1236 2 55 HIS H 2 55 HIS HB2 . . 3.220 2.602 2.434 2.675 . 0 0 "[ . 1 . 2]" 1
1237 2 55 HIS H 2 55 HIS HB3 . . 3.230 2.973 2.889 3.081 . 0 0 "[ . 1 . 2]" 1
1238 2 58 GLU H 2 59 SER H . . 3.130 2.556 2.240 2.898 . 0 0 "[ . 1 . 2]" 1
1239 2 64 ARG H 2 65 SER H . . 3.360 2.765 2.685 2.848 . 0 0 "[ . 1 . 2]" 1
1240 2 64 ARG QB 2 65 SER H . . 3.260 2.708 2.460 3.320 0.060 15 0 "[ . 1 . 2]" 1
1241 2 65 SER HA 2 68 ASP H . . 3.950 3.866 3.694 3.984 0.034 10 0 "[ . 1 . 2]" 1
1242 2 44 MET ME 2 70 ALA H . . 4.540 4.352 4.290 4.422 . 0 0 "[ . 1 . 2]" 1
1243 2 71 VAL H 2 71 VAL HB . . 3.180 2.657 2.607 2.695 . 0 0 "[ . 1 . 2]" 1
1244 2 30 ILE MD 2 31 GLN H . . 4.960 4.643 4.507 4.772 . 0 0 "[ . 1 . 2]" 1
1245 2 78 GLN H 2 79 ALA H . . 4.290 3.985 1.891 4.296 0.006 19 0 "[ . 1 . 2]" 1
1246 2 64 ARG H 2 66 LYS H . . 4.520 4.503 4.361 4.537 0.017 13 0 "[ . 1 . 2]" 1
1247 1 13 PHE QE 2 43 GLY H . . 5.500 5.430 5.075 5.548 0.048 19 0 "[ . 1 . 2]" 1
1248 1 13 PHE QD 2 43 GLY H . . 5.170 4.860 4.631 5.209 0.039 11 0 "[ . 1 . 2]" 1
1249 2 43 GLY H 2 44 MET HG3 . . 4.860 4.515 4.438 4.633 . 0 0 "[ . 1 . 2]" 1
1250 2 50 ASN H 2 50 ASN HD22 . . 4.850 4.155 3.832 4.317 . 0 0 "[ . 1 . 2]" 1
1251 2 19 LYS H 2 50 ASN HD22 . . 5.020 3.186 2.737 4.851 . 0 0 "[ . 1 . 2]" 1
1252 2 19 LYS H 2 50 ASN HD21 . . 5.020 3.412 3.115 4.971 . 0 0 "[ . 1 . 2]" 1
1253 2 23 GLY H 2 26 LEU H . . 4.840 4.615 4.548 4.687 . 0 0 "[ . 1 . 2]" 1
1254 1 13 PHE QE 2 23 GLY H . . 5.500 5.507 5.385 5.548 0.048 16 0 "[ . 1 . 2]" 1
1255 2 23 GLY H 2 25 ARG H . . 4.680 4.333 4.108 4.589 . 0 0 "[ . 1 . 2]" 1
1256 1 13 PHE QD 2 23 GLY H . . 4.740 4.591 4.391 4.762 0.022 11 0 "[ . 1 . 2]" 1
1257 2 18 GLN HB3 2 18 GLN HE22 . . 4.770 4.308 4.226 4.334 . 0 0 "[ . 1 . 2]" 1
1258 2 18 GLN HB2 2 18 GLN HE22 . . 5.270 5.103 5.068 5.140 . 0 0 "[ . 1 . 2]" 1
1259 2 18 GLN HB3 2 18 GLN HE21 . . 4.740 4.151 3.999 4.210 . 0 0 "[ . 1 . 2]" 1
1260 2 18 GLN HA 2 18 GLN HE22 . . 5.500 5.268 5.133 5.353 . 0 0 "[ . 1 . 2]" 1
1261 2 51 SER H 2 52 GLU HB2 . . 5.310 5.106 4.962 5.203 . 0 0 "[ . 1 . 2]" 1
1262 2 51 SER H 2 52 GLU HB3 . . 5.200 5.139 5.047 5.200 0.000 17 0 "[ . 1 . 2]" 1
1263 2 42 THR H 2 45 LEU H . . 5.080 4.886 4.820 4.950 . 0 0 "[ . 1 . 2]" 1
1264 1 4 ARG H 1 4 ARG QB . . 3.550 2.544 2.124 3.414 . 0 0 "[ . 1 . 2]" 1
1265 1 7 ASN H 1 7 ASN QB . . 3.320 2.675 2.256 2.966 . 0 0 "[ . 1 . 2]" 1
1266 1 7 ASN H 1 7 ASN QD . . 4.320 4.021 3.380 4.332 0.012 10 0 "[ . 1 . 2]" 1
1267 1 7 ASN QB 1 7 ASN QD . . 3.080 2.102 2.067 2.165 . 0 0 "[ . 1 . 2]" 1
1268 1 7 ASN QB 1 8 VAL MG1 . . 4.720 4.252 3.932 4.774 0.054 4 0 "[ . 1 . 2]" 1
1269 1 7 ASN QB 1 9 ASN H . . 4.540 2.964 2.363 3.918 . 0 0 "[ . 1 . 2]" 1
1270 1 7 ASN QB 1 10 ALA H . . 4.140 3.524 3.284 3.853 . 0 0 "[ . 1 . 2]" 1
1271 1 7 ASN QD 1 9 ASN H . . 4.190 3.115 2.258 3.908 . 0 0 "[ . 1 . 2]" 1
1272 1 7 ASN QD 1 9 ASN HB3 . . 4.090 3.387 2.535 4.088 . 0 0 "[ . 1 . 2]" 1
1273 1 7 ASN QD 1 10 ALA H . . 4.270 2.492 1.976 2.985 . 0 0 "[ . 1 . 2]" 1
1274 1 7 ASN QD 1 10 ALA HA . . 3.810 2.846 2.199 3.329 . 0 0 "[ . 1 . 2]" 1
1275 1 7 ASN QD 1 10 ALA MB . . 3.750 2.251 1.959 2.655 . 0 0 "[ . 1 . 2]" 1
1276 1 8 VAL HB 2 40 LYS QE . . 5.340 5.099 4.252 5.367 0.027 20 0 "[ . 1 . 2]" 1
1277 1 8 VAL MG1 2 40 LYS QE . . 5.230 4.429 3.316 4.869 . 0 0 "[ . 1 . 2]" 1
1278 1 8 VAL MG1 2 77 HIS QB . . 3.930 2.224 1.888 2.698 . 0 0 "[ . 1 . 2]" 1
1279 1 12 PRO QD 1 13 PHE H . . 3.620 3.397 3.385 3.411 . 0 0 "[ . 1 . 2]" 1
1280 1 13 PHE QD 1 15 PRO QB . . 5.340 3.959 3.794 5.061 . 0 0 "[ . 1 . 2]" 1
1281 1 13 PHE QD 2 23 GLY QA . . 4.870 3.337 3.069 3.683 . 0 0 "[ . 1 . 2]" 1
1282 1 13 PHE HZ 1 15 PRO QB . . 5.110 2.524 2.386 4.283 . 0 0 "[ . 1 . 2]" 1
1283 1 14 VAL H 1 14 VAL QG . . 3.070 2.373 1.879 2.644 . 0 0 "[ . 1 . 2]" 1
1284 1 14 VAL QG 1 15 PRO QD . . 5.280 3.096 2.486 3.393 . 0 0 "[ . 1 . 2]" 1
1285 1 15 PRO QB 1 17 VAL H . . 4.190 2.657 2.287 4.050 . 0 0 "[ . 1 . 2]" 1
1286 1 15 PRO QG 1 16 ASN H . . 4.160 3.903 3.745 3.996 . 0 0 "[ . 1 . 2]" 1
1287 1 15 PRO QG 1 17 VAL H . . 4.530 3.194 2.853 3.781 . 0 0 "[ . 1 . 2]" 1
1288 1 16 ASN H 1 16 ASN QD . . 4.610 4.054 2.640 4.622 0.012 13 0 "[ . 1 . 2]" 1
1289 1 16 ASN QB 1 17 VAL QG . . 4.670 3.914 3.153 4.651 . 0 0 "[ . 1 . 2]" 1
1290 1 17 VAL H 1 17 VAL QG . . 3.260 2.343 1.910 2.736 . 0 0 "[ . 1 . 2]" 1
1291 1 17 VAL HA 1 17 VAL QG . . 3.070 2.158 2.043 2.344 . 0 0 "[ . 1 . 2]" 1
1292 1 18 HIS QB 1 19 ALA H . . 4.150 3.026 1.950 4.046 . 0 0 "[ . 1 . 2]" 1
1293 2 2 GLN H 2 2 GLN QB . . 3.660 2.946 2.486 3.392 . 0 0 "[ . 1 . 2]" 1
1294 2 2 GLN HA 2 4 PRO QD . . 4.450 3.466 2.952 4.037 . 0 0 "[ . 1 . 2]" 1
1295 2 2 GLN QB 2 3 GLU H . . 4.330 3.167 2.026 4.048 . 0 0 "[ . 1 . 2]" 1
1296 2 3 GLU H 2 3 GLU QB . . 3.440 3.006 2.588 3.371 . 0 0 "[ . 1 . 2]" 1
1297 2 3 GLU HA 2 4 PRO QB . . 5.230 4.830 4.804 4.848 . 0 0 "[ . 1 . 2]" 1
1298 2 3 GLU HA 2 4 PRO QD . . 2.800 2.060 2.025 2.086 . 0 0 "[ . 1 . 2]" 1
1299 2 3 GLU QB 2 4 PRO QD . . 4.560 3.775 3.703 3.829 . 0 0 "[ . 1 . 2]" 1
1300 2 3 GLU QG 2 4 PRO QD . . 4.250 3.962 3.768 4.257 0.007 10 0 "[ . 1 . 2]" 1
1301 2 4 PRO HA 2 5 LEU QB . . 4.970 4.150 3.872 4.651 . 0 0 "[ . 1 . 2]" 1
1302 2 4 PRO QB 2 5 LEU H . . 3.330 2.627 2.059 3.075 . 0 0 "[ . 1 . 2]" 1
1303 2 4 PRO QG 2 5 LEU H . . 4.770 4.225 3.763 4.536 . 0 0 "[ . 1 . 2]" 1
1304 2 5 LEU H 2 5 LEU QB . . 3.000 2.288 2.150 2.729 . 0 0 "[ . 1 . 2]" 1
1305 2 5 LEU H 2 5 LEU QD . . 3.820 3.534 2.324 3.778 . 0 0 "[ . 1 . 2]" 1
1306 2 5 LEU HA 2 5 LEU QD . . 3.070 2.114 1.905 3.077 0.007 11 0 "[ . 1 . 2]" 1
1307 2 5 LEU QB 2 5 LEU QD . . 2.740 1.912 1.710 1.982 . 0 0 "[ . 1 . 2]" 1
1308 2 5 LEU QB 2 6 THR H . . 3.730 3.212 1.978 3.712 . 0 0 "[ . 1 . 2]" 1
1309 2 5 LEU QB 2 25 ARG QD . . 4.310 2.789 1.765 4.370 0.060 10 0 "[ . 1 . 2]" 1
1310 2 5 LEU QD 2 6 THR H . . 3.400 2.437 1.875 3.471 0.071 11 0 "[ . 1 . 2]" 1
1311 2 5 LEU QD 2 9 MET H . . 5.080 4.385 3.407 5.090 0.010 11 0 "[ . 1 . 2]" 1
1312 2 5 LEU QD 2 9 MET QB . . 3.490 2.743 1.919 3.566 0.076 4 0 "[ . 1 . 2]" 1
1313 2 5 LEU QD 2 9 MET QG . . 3.820 2.776 1.945 3.824 0.004 14 0 "[ . 1 . 2]" 1
1314 2 5 LEU QD 2 9 MET ME . . 2.990 2.312 1.743 2.984 . 0 0 "[ . 1 . 2]" 1
1315 2 5 LEU QD 2 21 MET HA . . 5.420 4.629 3.508 5.272 . 0 0 "[ . 1 . 2]" 1
1316 2 5 LEU QD 2 21 MET HB3 . . 3.970 3.381 1.944 3.986 0.016 4 0 "[ . 1 . 2]" 1
1317 2 5 LEU QD 2 22 LEU H . . 4.750 3.923 2.551 4.435 . 0 0 "[ . 1 . 2]" 1
1318 2 5 LEU QD 2 25 ARG H . . 5.100 4.011 3.424 4.688 . 0 0 "[ . 1 . 2]" 1
1319 2 5 LEU QD 2 25 ARG QB . . 3.150 2.325 1.756 3.157 0.007 6 0 "[ . 1 . 2]" 1
1320 2 5 LEU QD 2 25 ARG QD . . 3.370 2.331 1.855 3.259 . 0 0 "[ . 1 . 2]" 1
1321 2 6 THR H 2 9 MET QB . . 3.720 3.134 1.933 3.762 0.042 4 0 "[ . 1 . 2]" 1
1322 2 6 THR H 2 9 MET QG . . 4.290 2.916 1.908 3.857 . 0 0 "[ . 1 . 2]" 1
1323 2 7 ALA HA 2 10 LEU QD . . 3.870 3.585 3.171 3.887 0.017 20 0 "[ . 1 . 2]" 1
1324 2 9 MET H 2 9 MET QB . . 3.140 2.338 2.224 2.542 . 0 0 "[ . 1 . 2]" 1
1325 2 9 MET H 2 9 MET QG . . 3.350 2.564 1.977 3.405 0.055 11 0 "[ . 1 . 2]" 1
1326 2 9 MET H 2 10 LEU QD . . 5.420 4.146 3.862 4.353 . 0 0 "[ . 1 . 2]" 1
1327 2 9 MET HA 2 9 MET QG . . 3.310 2.493 2.115 3.300 . 0 0 "[ . 1 . 2]" 1
1328 2 9 MET QB 2 10 LEU H . . 3.740 2.555 1.947 3.519 . 0 0 "[ . 1 . 2]" 1
1329 2 9 MET QB 2 10 LEU QD . . 3.920 2.445 2.097 3.595 . 0 0 "[ . 1 . 2]" 1
1330 2 9 MET ME 2 9 MET QG . . 2.740 2.243 1.984 2.531 . 0 0 "[ . 1 . 2]" 1
1331 2 9 MET QG 2 10 LEU H . . 4.350 4.072 2.368 4.392 0.042 19 0 "[ . 1 . 2]" 1
1332 2 9 MET QG 2 10 LEU QD . . 4.960 3.904 1.820 4.556 . 0 0 "[ . 1 . 2]" 1
1333 2 10 LEU H 2 10 LEU QD . . 3.730 2.468 2.110 2.730 . 0 0 "[ . 1 . 2]" 1
1334 2 10 LEU HA 2 10 LEU QD . . 3.110 2.592 1.958 2.905 . 0 0 "[ . 1 . 2]" 1
1335 2 10 LEU QD 2 11 ALA H . . 4.610 4.156 3.931 4.426 . 0 0 "[ . 1 . 2]" 1
1336 2 10 LEU QD 2 13 ALA MB . . 3.960 3.673 3.235 3.956 . 0 0 "[ . 1 . 2]" 1
1337 2 10 LEU QD 2 18 GLN H . . 5.340 4.221 3.807 4.542 . 0 0 "[ . 1 . 2]" 1
1338 2 10 LEU QD 2 18 GLN HA . . 3.090 2.272 1.831 2.683 . 0 0 "[ . 1 . 2]" 1
1339 2 10 LEU QD 2 18 GLN HB3 . . 3.950 2.114 1.884 2.493 . 0 0 "[ . 1 . 2]" 1
1340 2 10 LEU QD 2 18 GLN HG2 . . 4.060 3.037 2.183 3.280 . 0 0 "[ . 1 . 2]" 1
1341 2 10 LEU QD 2 18 GLN HG3 . . 4.740 3.877 3.348 4.072 . 0 0 "[ . 1 . 2]" 1
1342 2 10 LEU QD 2 19 LYS H . . 4.490 4.136 3.935 4.430 . 0 0 "[ . 1 . 2]" 1
1343 2 10 LEU QD 2 20 GLN H . . 5.440 4.967 4.408 5.194 . 0 0 "[ . 1 . 2]" 1
1344 2 10 LEU QD 2 21 MET H . . 4.960 4.313 3.654 4.594 . 0 0 "[ . 1 . 2]" 1
1345 2 10 LEU QD 2 21 MET HA . . 5.440 5.012 4.577 5.251 . 0 0 "[ . 1 . 2]" 1
1346 2 10 LEU QD 2 21 MET HB2 . . 3.700 2.792 2.250 3.105 . 0 0 "[ . 1 . 2]" 1
1347 2 10 LEU QD 2 21 MET ME . . 2.510 2.191 1.764 2.508 . 0 0 "[ . 1 . 2]" 1
1348 2 10 LEU QD 2 22 LEU H . . 3.840 2.852 2.609 3.052 . 0 0 "[ . 1 . 2]" 1
1349 2 10 LEU QD 2 22 LEU HA . . 3.810 3.315 2.954 3.556 . 0 0 "[ . 1 . 2]" 1
1350 2 10 LEU QD 2 22 LEU QB . . 3.040 2.052 1.811 2.279 . 0 0 "[ . 1 . 2]" 1
1351 2 10 LEU MD1 2 22 LEU HB3 . . 5.320 3.721 3.061 4.208 . 0 0 "[ . 1 . 2]" 1
1352 2 10 LEU MD2 2 22 LEU HB3 . . 5.320 3.476 2.895 4.094 . 0 0 "[ . 1 . 2]" 1
1353 2 10 LEU QD 2 50 ASN H . . 5.440 5.451 5.430 5.488 0.048 18 0 "[ . 1 . 2]" 1
1354 2 10 LEU QD 2 50 ASN QB . . 3.690 2.719 2.675 2.806 . 0 0 "[ . 1 . 2]" 1
1355 2 10 LEU QD 2 50 ASN QD . . 3.800 3.492 2.344 3.814 0.014 7 0 "[ . 1 . 2]" 1
1356 2 13 ALA HA 2 14 PRO QG . . 4.600 4.069 4.062 4.075 . 0 0 "[ . 1 . 2]" 1
1357 2 13 ALA MB 2 17 GLU QB . . 3.110 2.375 2.073 2.567 . 0 0 "[ . 1 . 2]" 1
1358 2 14 PRO HB3 2 15 PRO QD . . 3.820 2.663 2.641 2.672 . 0 0 "[ . 1 . 2]" 1
1359 2 15 PRO QG 2 16 GLN H . . 4.290 2.978 2.909 3.015 . 0 0 "[ . 1 . 2]" 1
1360 2 15 PRO QD 2 17 GLU H . . 5.350 4.457 4.388 4.619 . 0 0 "[ . 1 . 2]" 1
1361 2 17 GLU H 2 17 GLU QB . . 3.110 2.236 2.095 2.306 . 0 0 "[ . 1 . 2]" 1
1362 2 18 GLN H 2 50 ASN QD . . 5.340 5.154 4.736 5.367 0.027 17 0 "[ . 1 . 2]" 1
1363 2 19 LYS HA 2 22 LEU QB . . 4.380 2.666 2.501 2.881 . 0 0 "[ . 1 . 2]" 1
1364 2 19 LYS HA 2 23 GLY QA . . 4.680 4.043 3.755 4.332 . 0 0 "[ . 1 . 2]" 1
1365 2 19 LYS HA 2 50 ASN QD . . 5.340 2.277 1.914 4.548 . 0 0 "[ . 1 . 2]" 1
1366 2 21 MET HA 2 24 GLU QG . . 4.190 3.753 3.411 4.123 . 0 0 "[ . 1 . 2]" 1
1367 2 22 LEU H 2 22 LEU QB . . 3.240 2.221 2.142 2.234 . 0 0 "[ . 1 . 2]" 1
1368 2 22 LEU HA 2 25 ARG QB . . 4.710 3.075 2.739 3.456 . 0 0 "[ . 1 . 2]" 1
1369 2 22 LEU QB 2 22 LEU MD2 . . 3.260 2.017 1.948 2.220 . 0 0 "[ . 1 . 2]" 1
1370 2 22 LEU QB 2 23 GLY H . . 3.580 2.177 2.124 2.279 . 0 0 "[ . 1 . 2]" 1
1371 2 22 LEU MD1 2 50 ASN QB . . 3.640 1.894 1.857 1.955 . 0 0 "[ . 1 . 2]" 1
1372 2 22 LEU MD1 2 50 ASN QD . . 3.980 3.561 2.721 3.972 . 0 0 "[ . 1 . 2]" 1
1373 2 22 LEU MD2 2 23 GLY QA . . 3.510 2.591 2.487 3.008 . 0 0 "[ . 1 . 2]" 1
1374 2 23 GLY QA 2 25 ARG H . . 4.650 4.087 3.913 4.274 . 0 0 "[ . 1 . 2]" 1
1375 2 23 GLY QA 2 26 LEU H . . 4.570 3.244 3.176 3.335 . 0 0 "[ . 1 . 2]" 1
1376 2 23 GLY QA 2 26 LEU HB2 . . 4.530 2.366 2.123 2.587 . 0 0 "[ . 1 . 2]" 1
1377 2 23 GLY QA 2 26 LEU MD1 . . 4.380 3.491 3.303 3.944 . 0 0 "[ . 1 . 2]" 1
1378 2 23 GLY QA 2 27 PHE H . . 5.040 3.890 3.643 4.076 . 0 0 "[ . 1 . 2]" 1
1379 2 23 GLY QA 2 46 LEU MD1 . . 3.270 1.927 1.844 2.056 . 0 0 "[ . 1 . 2]" 1
1380 2 23 GLY QA 2 46 LEU MD2 . . 4.880 4.108 4.010 4.212 . 0 0 "[ . 1 . 2]" 1
1381 2 23 GLY QA 2 53 LEU MD1 . . 5.020 4.402 4.254 4.516 . 0 0 "[ . 1 . 2]" 1
1382 2 24 GLU H 2 24 GLU QG . . 3.360 2.658 2.365 2.907 . 0 0 "[ . 1 . 2]" 1
1383 2 25 ARG H 2 25 ARG QB . . 3.250 2.195 2.108 2.475 . 0 0 "[ . 1 . 2]" 1
1384 2 25 ARG H 2 25 ARG QD . . 4.690 3.930 2.376 4.535 . 0 0 "[ . 1 . 2]" 1
1385 2 25 ARG QB 2 25 ARG QD . . 3.000 2.174 1.974 2.714 . 0 0 "[ . 1 . 2]" 1
1386 2 25 ARG QB 2 26 LEU H . . 3.400 2.862 2.723 2.959 . 0 0 "[ . 1 . 2]" 1
1387 2 25 ARG QB 2 26 LEU MD1 . . 4.130 3.263 3.076 3.445 . 0 0 "[ . 1 . 2]" 1
1388 2 26 LEU H 2 28 PRO QD . . 4.980 3.442 3.419 3.489 . 0 0 "[ . 1 . 2]" 1
1389 2 26 LEU HA 2 29 LEU QB . . 4.330 2.273 2.184 2.369 . 0 0 "[ . 1 . 2]" 1
1390 2 27 PHE H 2 28 PRO QD . . 3.570 2.165 2.154 2.179 . 0 0 "[ . 1 . 2]" 1
1391 2 28 PRO QD 2 29 LEU H . . 3.930 2.626 2.607 2.658 . 0 0 "[ . 1 . 2]" 1
1392 2 28 PRO QD 2 31 GLN HG3 . . 5.180 4.993 4.660 5.146 . 0 0 "[ . 1 . 2]" 1
1393 2 29 LEU H 2 29 LEU QB . . 3.340 2.135 2.102 2.223 . 0 0 "[ . 1 . 2]" 1
1394 2 29 LEU QB 2 29 LEU MD2 . . 3.170 2.272 2.229 2.387 . 0 0 "[ . 1 . 2]" 1
1395 2 29 LEU QB 2 30 ILE H . . 3.490 2.600 2.464 2.714 . 0 0 "[ . 1 . 2]" 1
1396 2 33 MET QB 2 34 HIS H . . 3.700 3.369 3.199 3.592 . 0 0 "[ . 1 . 2]" 1
1397 2 33 MET QB 2 67 VAL MG1 . . 4.600 3.447 3.297 3.682 . 0 0 "[ . 1 . 2]" 1
1398 2 36 THR MG 2 80 LYS QB . . 4.730 4.347 3.984 4.738 0.008 14 0 "[ . 1 . 2]" 1
1399 2 36 THR MG 2 80 LYS QG . . 3.040 3.031 2.973 3.053 0.013 3 0 "[ . 1 . 2]" 1
1400 2 36 THR MG 2 80 LYS QE . . 4.030 3.008 1.803 4.023 . 0 0 "[ . 1 . 2]" 1
1401 2 37 LEU MD1 2 80 LYS QB . . 4.540 3.202 2.069 4.461 . 0 0 "[ . 1 . 2]" 1
1402 2 40 LYS H 2 40 LYS QB . . 3.290 2.329 2.052 2.630 . 0 0 "[ . 1 . 2]" 1
1403 2 40 LYS H 2 40 LYS QG . . 4.240 2.595 1.985 3.939 . 0 0 "[ . 1 . 2]" 1
1404 2 40 LYS H 2 40 LYS QD . . 4.070 3.629 2.663 4.211 0.141 20 0 "[ . 1 . 2]" 1
1405 2 40 LYS HA 2 40 LYS QE . . 5.160 4.167 2.551 4.954 . 0 0 "[ . 1 . 2]" 1
1406 2 40 LYS QB 2 40 LYS QE . . 4.110 2.972 2.003 3.732 . 0 0 "[ . 1 . 2]" 1
1407 2 40 LYS QB 2 41 ILE H . . 3.840 2.543 2.368 2.695 . 0 0 "[ . 1 . 2]" 1
1408 2 40 LYS QB 2 41 ILE HA . . 4.600 3.815 3.733 3.874 . 0 0 "[ . 1 . 2]" 1
1409 2 40 LYS QB 2 44 MET ME . . 2.800 2.340 2.065 2.512 . 0 0 "[ . 1 . 2]" 1
1410 2 40 LYS QB 2 70 ALA MB . . 5.250 4.260 4.057 4.421 . 0 0 "[ . 1 . 2]" 1
1411 2 40 LYS QB 2 74 LEU MD1 . . 3.820 1.839 1.781 1.900 . 0 0 "[ . 1 . 2]" 1
1412 2 40 LYS QE 2 40 LYS QG . . 3.300 2.233 1.968 2.514 . 0 0 "[ . 1 . 2]" 1
1413 2 40 LYS QG 2 41 ILE H . . 5.330 4.147 3.783 4.433 . 0 0 "[ . 1 . 2]" 1
1414 2 40 LYS QG 2 44 MET ME . . 4.400 3.945 2.453 4.311 . 0 0 "[ . 1 . 2]" 1
1415 2 40 LYS QG 2 74 LEU MD2 . . 3.440 2.929 1.934 3.463 0.023 4 0 "[ . 1 . 2]" 1
1416 2 40 LYS QE 2 74 LEU MD2 . . 3.590 2.619 1.838 3.514 . 0 0 "[ . 1 . 2]" 1
1417 2 47 GLU HA 2 48 ILE QG . . 4.950 4.541 4.525 4.561 . 0 0 "[ . 1 . 2]" 1
1418 2 47 GLU QB 2 48 ILE H . . 3.810 2.227 2.180 2.375 . 0 0 "[ . 1 . 2]" 1
1419 2 47 GLU QB 2 48 ILE MG . . 4.160 3.900 3.764 3.996 . 0 0 "[ . 1 . 2]" 1
1420 2 48 ILE H 2 48 ILE QG . . 3.110 1.907 1.859 1.935 . 0 0 "[ . 1 . 2]" 1
1421 2 48 ILE HA 2 48 ILE QG . . 3.610 3.199 3.194 3.203 . 0 0 "[ . 1 . 2]" 1
1422 2 48 ILE HA 2 49 ASP QB . . 4.690 4.166 4.110 4.245 . 0 0 "[ . 1 . 2]" 1
1423 2 48 ILE QG 2 48 ILE MG . . 3.050 2.164 2.062 2.250 . 0 0 "[ . 1 . 2]" 1
1424 2 48 ILE MG 2 49 ASP QB . . 4.530 4.319 4.292 4.346 . 0 0 "[ . 1 . 2]" 1
1425 2 48 ILE QG 2 53 LEU H . . 5.340 5.444 5.412 5.477 0.137 14 0 "[ . 1 . 2]" 1
1426 2 48 ILE QG 2 53 LEU MD1 . . 4.080 3.545 3.414 3.636 . 0 0 "[ . 1 . 2]" 1
1427 2 48 ILE QG 2 53 LEU MD2 . . 3.460 2.576 2.510 2.653 . 0 0 "[ . 1 . 2]" 1
1428 2 49 ASP H 2 49 ASP QB . . 3.200 3.004 2.992 3.014 . 0 0 "[ . 1 . 2]" 1
1429 2 49 ASP QB 2 50 ASN H . . 4.020 3.691 3.600 3.776 . 0 0 "[ . 1 . 2]" 1
1430 2 49 ASP QB 2 51 SER H . . 3.760 3.517 3.371 3.682 . 0 0 "[ . 1 . 2]" 1
1431 2 49 ASP QB 2 52 GLU H . . 3.650 2.278 2.254 2.302 . 0 0 "[ . 1 . 2]" 1
1432 2 50 ASN H 2 50 ASN QB . . 3.300 2.390 2.239 2.684 . 0 0 "[ . 1 . 2]" 1
1433 2 50 ASN H 2 50 ASN QD . . 4.110 3.418 2.980 3.729 . 0 0 "[ . 1 . 2]" 1
1434 2 50 ASN HA 2 50 ASN QD . . 4.460 3.942 3.290 4.138 . 0 0 "[ . 1 . 2]" 1
1435 2 50 ASN QB 2 51 SER H . . 3.650 2.561 2.426 3.247 . 0 0 "[ . 1 . 2]" 1
1436 2 50 ASN QB 2 51 SER HA . . 4.630 3.839 3.793 4.077 . 0 0 "[ . 1 . 2]" 1
1437 2 50 ASN QB 2 54 LEU MD1 . . 4.140 3.735 3.515 3.897 . 0 0 "[ . 1 . 2]" 1
1438 2 52 GLU H 2 52 GLU QG . . 4.540 4.012 3.951 4.061 . 0 0 "[ . 1 . 2]" 1
1439 2 52 GLU HA 2 52 GLU QG . . 3.600 2.601 2.270 2.997 . 0 0 "[ . 1 . 2]" 1
1440 2 52 GLU QG 2 53 LEU H . . 5.020 3.905 3.724 4.422 . 0 0 "[ . 1 . 2]" 1
1441 2 52 GLU QG 2 53 LEU MD2 . . 4.120 3.304 3.107 3.997 . 0 0 "[ . 1 . 2]" 1
1442 2 53 LEU H 2 56 MET QB . . 5.310 4.313 4.169 4.576 . 0 0 "[ . 1 . 2]" 1
1443 2 53 LEU HA 2 56 MET QB . . 3.740 2.056 1.951 2.219 . 0 0 "[ . 1 . 2]" 1
1444 2 53 LEU MD2 2 56 MET QB . . 4.350 3.290 3.137 3.505 . 0 0 "[ . 1 . 2]" 1
1445 2 55 HIS H 2 56 MET QB . . 4.130 3.769 3.662 3.922 . 0 0 "[ . 1 . 2]" 1
1446 2 56 MET H 2 56 MET QB . . 3.140 2.254 2.129 2.314 . 0 0 "[ . 1 . 2]" 1
1447 2 56 MET QB 2 56 MET ME . . 2.790 1.986 1.911 2.090 . 0 0 "[ . 1 . 2]" 1
1448 2 56 MET QB 2 57 LEU H . . 3.510 2.836 2.492 3.086 . 0 0 "[ . 1 . 2]" 1
1449 2 59 SER H 2 59 SER QB . . 3.340 2.635 2.219 3.052 . 0 0 "[ . 1 . 2]" 1
1450 2 59 SER H 2 60 PRO QD . . 4.910 4.213 4.110 4.342 . 0 0 "[ . 1 . 2]" 1
1451 2 59 SER QB 2 60 PRO QD . . 3.770 3.113 2.813 3.463 . 0 0 "[ . 1 . 2]" 1
1452 2 59 SER QB 2 62 SER H . . 4.280 2.651 2.320 3.173 . 0 0 "[ . 1 . 2]" 1
1453 2 59 SER QB 2 62 SER QB . . 3.320 2.138 1.908 2.553 . 0 0 "[ . 1 . 2]" 1
1454 2 60 PRO QG 2 61 GLU H . . 4.130 1.951 1.924 2.100 . 0 0 "[ . 1 . 2]" 1
1455 2 60 PRO QD 2 61 GLU H . . 3.860 2.682 2.629 2.694 . 0 0 "[ . 1 . 2]" 1
1456 2 65 SER HA 2 68 ASP QB . . 3.670 2.862 2.654 3.082 . 0 0 "[ . 1 . 2]" 1
1457 2 67 VAL H 2 68 ASP QB . . 5.340 4.598 4.548 4.648 . 0 0 "[ . 1 . 2]" 1
1458 2 68 ASP QB 2 69 GLU H . . 3.470 2.352 2.196 2.504 . 0 0 "[ . 1 . 2]" 1
1459 2 72 ALA HA 2 75 GLN QB . . 3.650 3.195 2.728 3.539 . 0 0 "[ . 1 . 2]" 1
1460 2 73 VAL H 2 75 GLN QB . . 5.340 4.915 4.708 5.016 . 0 0 "[ . 1 . 2]" 1
1461 2 73 VAL MG1 2 77 HIS QB . . 4.660 4.557 3.900 4.666 0.006 1 0 "[ . 1 . 2]" 1
1462 2 74 LEU H 2 75 GLN QB . . 5.020 4.477 4.369 4.526 . 0 0 "[ . 1 . 2]" 1
1463 2 74 LEU HA 2 77 HIS QB . . 3.900 3.272 2.501 3.783 . 0 0 "[ . 1 . 2]" 1
1464 2 74 LEU MD2 2 77 HIS QB . . 4.500 4.012 3.095 4.506 0.006 4 0 "[ . 1 . 2]" 1
1465 2 75 GLN H 2 75 GLN QB . . 2.970 2.200 2.040 2.250 . 0 0 "[ . 1 . 2]" 1
1466 2 75 GLN QB 2 76 ALA H . . 3.610 2.857 2.648 3.472 . 0 0 "[ . 1 . 2]" 1
1467 2 77 HIS QB 2 78 GLN H . . 3.710 2.057 1.934 2.685 . 0 0 "[ . 1 . 2]" 1
1468 2 80 LYS H 2 80 LYS QB . . 3.410 2.790 2.174 3.322 . 0 0 "[ . 1 . 2]" 1
1469 2 80 LYS HA 2 80 LYS QG . . 3.550 2.486 2.084 3.026 . 0 0 "[ . 1 . 2]" 1
1470 2 80 LYS HA 2 80 LYS QE . . 4.750 3.933 1.990 4.596 . 0 0 "[ . 1 . 2]" 1
1471 2 81 GLU H 2 81 GLU QB . . 3.320 2.593 2.246 3.322 0.002 8 0 "[ . 1 . 2]" 1
1472 2 81 GLU H 2 81 GLU QG . . 4.210 3.343 2.378 4.194 . 0 0 "[ . 1 . 2]" 1
1473 2 81 GLU HA 2 81 GLU QG . . 3.520 2.594 2.162 3.450 . 0 0 "[ . 1 . 2]" 1
1474 1 13 PHE QB 2 46 LEU MD1 . . 3.970 1.904 1.789 2.134 . 0 0 "[ . 1 . 2]" 1
1475 1 13 PHE QE 2 46 LEU MD1 . . 4.440 4.385 4.147 4.474 0.034 14 0 "[ . 1 . 2]" 1
1476 1 8 VAL HA 2 74 LEU MD2 . . 5.500 3.422 3.020 3.800 . 0 0 "[ . 1 . 2]" 1
1477 1 13 PHE QB 2 42 THR MG . . 4.370 4.121 3.819 4.411 0.041 11 0 "[ . 1 . 2]" 1
1478 1 12 PRO HA 2 42 THR MG . . 4.740 4.397 4.129 4.653 . 0 0 "[ . 1 . 2]" 1
1479 1 8 VAL HA 2 73 VAL MG1 . . 3.510 2.962 2.713 3.396 . 0 0 "[ . 1 . 2]" 1
1480 1 6 LEU HA 2 73 VAL MG1 . . 4.860 4.692 4.609 4.794 . 0 0 "[ . 1 . 2]" 1
1481 1 8 VAL HB 2 73 VAL MG1 . . 3.370 1.927 1.900 1.951 . 0 0 "[ . 1 . 2]" 1
1482 1 8 VAL HA 2 73 VAL MG2 . . 5.500 5.052 4.930 5.198 . 0 0 "[ . 1 . 2]" 1
1483 1 5 GLN QG 2 73 VAL MG2 . . 4.030 2.704 1.862 3.908 . 0 0 "[ . 1 . 2]" 1
1484 1 8 VAL HB 2 73 VAL MG2 . . 4.500 4.561 4.525 4.593 0.093 12 0 "[ . 1 . 2]" 1
1485 1 6 LEU MD2 2 44 MET HB2 . . 4.200 3.358 3.117 3.755 . 0 0 "[ . 1 . 2]" 1
1486 1 6 LEU MD2 2 44 MET HB3 . . 5.000 3.194 2.979 3.564 . 0 0 "[ . 1 . 2]" 1
1487 1 10 ALA MB 2 44 MET HB3 . . 4.590 3.336 3.165 3.549 . 0 0 "[ . 1 . 2]" 1
1488 1 12 PRO HA 2 46 LEU MD2 . . 5.500 4.485 3.774 4.975 . 0 0 "[ . 1 . 2]" 1
1489 1 13 PHE QB 2 46 LEU MD2 . . 5.020 1.930 1.806 2.144 . 0 0 "[ . 1 . 2]" 1
1490 1 6 LEU MD2 2 74 LEU MD2 . . 5.000 5.018 4.821 5.075 0.075 17 0 "[ . 1 . 2]" 1
1491 1 13 PHE QD 2 23 GLY HA3 . . 4.680 3.397 3.111 3.773 . 0 0 "[ . 1 . 2]" 1
1492 1 13 PHE QE 2 23 GLY HA3 . . 5.000 4.104 3.994 4.233 . 0 0 "[ . 1 . 2]" 1
1493 1 10 ALA MB 2 44 MET HB2 . . 4.590 4.436 4.277 4.586 . 0 0 "[ . 1 . 2]" 1
1494 1 6 LEU QB 2 44 MET HB3 . . 4.830 3.870 3.671 4.333 . 0 0 "[ . 1 . 2]" 1
1495 1 13 PHE QD 2 24 GLU HG2 . . 5.500 4.544 3.779 5.513 0.013 5 0 "[ . 1 . 2]" 1
1496 1 13 PHE QD 2 24 GLU HG3 . . 5.500 4.674 3.844 5.343 . 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 62
_Distance_constraint_stats_list.Viol_count 483
_Distance_constraint_stats_list.Viol_total 586.460
_Distance_constraint_stats_list.Viol_max 0.281
_Distance_constraint_stats_list.Viol_rms 0.0445
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0236
_Distance_constraint_stats_list.Viol_average_violations_only 0.0607
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
2 18 GLN 0.006 0.005 4 0 "[ . 1 . 2]"
2 19 LYS 0.170 0.032 9 0 "[ . 1 . 2]"
2 20 GLN 0.022 0.015 6 0 "[ . 1 . 2]"
2 21 MET 0.022 0.014 4 0 "[ . 1 . 2]"
2 22 LEU 0.006 0.005 4 0 "[ . 1 . 2]"
2 23 GLY 0.579 0.049 20 0 "[ . 1 . 2]"
2 24 GLU 0.022 0.015 6 0 "[ . 1 . 2]"
2 25 ARG 1.311 0.092 12 0 "[ . 1 . 2]"
2 26 LEU 1.087 0.073 6 0 "[ . 1 . 2]"
2 27 PHE 1.054 0.096 14 0 "[ . 1 . 2]"
2 29 LEU 1.288 0.092 12 0 "[ . 1 . 2]"
2 30 ILE 1.087 0.073 6 0 "[ . 1 . 2]"
2 31 GLN 0.644 0.096 14 0 "[ . 1 . 2]"
2 37 LEU 0.025 0.009 19 0 "[ . 1 . 2]"
2 38 ALA 0.508 0.055 20 0 "[ . 1 . 2]"
2 39 GLY 1.270 0.095 14 0 "[ . 1 . 2]"
2 40 LYS 2.193 0.091 4 0 "[ . 1 . 2]"
2 41 ILE 0.057 0.031 1 0 "[ . 1 . 2]"
2 42 THR 2.515 0.135 13 0 "[ . 1 . 2]"
2 43 GLY 2.508 0.103 14 0 "[ . 1 . 2]"
2 44 MET 4.765 0.155 2 0 "[ . 1 . 2]"
2 45 LEU 0.031 0.031 1 0 "[ . 1 . 2]"
2 46 LEU 2.007 0.135 13 0 "[ . 1 . 2]"
2 47 GLU 1.238 0.103 14 0 "[ . 1 . 2]"
2 48 ILE 2.571 0.155 2 0 "[ . 1 . 2]"
2 49 ASP 4.970 0.281 3 0 "[ . 1 . 2]"
2 50 ASN 1.549 0.105 1 0 "[ . 1 . 2]"
2 52 GLU 1.914 0.132 4 0 "[ . 1 . 2]"
2 53 LEU 5.663 0.281 3 0 "[ . 1 . 2]"
2 54 LEU 1.549 0.105 1 0 "[ . 1 . 2]"
2 56 MET 1.914 0.132 4 0 "[ . 1 . 2]"
2 57 LEU 0.693 0.121 14 0 "[ . 1 . 2]"
2 59 SER 1.510 0.093 4 0 "[ . 1 . 2]"
2 62 SER 0.031 0.011 11 0 "[ . 1 . 2]"
2 63 LEU 2.181 0.093 4 0 "[ . 1 . 2]"
2 64 ARG 0.042 0.012 3 0 "[ . 1 . 2]"
2 65 SER 0.042 0.016 5 0 "[ . 1 . 2]"
2 66 LYS 0.031 0.011 11 0 "[ . 1 . 2]"
2 67 VAL 1.061 0.065 4 0 "[ . 1 . 2]"
2 68 ASP 0.234 0.028 13 0 "[ . 1 . 2]"
2 69 GLU 0.889 0.072 4 0 "[ . 1 . 2]"
2 70 ALA 2.980 0.135 12 0 "[ . 1 . 2]"
2 71 VAL 0.390 0.032 16 0 "[ . 1 . 2]"
2 72 ALA 0.193 0.028 13 0 "[ . 1 . 2]"
2 73 VAL 0.846 0.072 4 0 "[ . 1 . 2]"
2 74 LEU 2.980 0.135 12 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 18 GLN O 2 22 LEU H . . 2.000 1.937 1.874 2.005 0.005 4 0 "[ . 1 . 2]" 2
2 2 18 GLN O 2 22 LEU N . . 3.000 2.799 2.726 2.916 . 0 0 "[ . 1 . 2]" 2
3 2 19 LYS O 2 23 GLY H . . 2.000 2.001 1.946 2.032 0.032 9 0 "[ . 1 . 2]" 2
4 2 19 LYS O 2 23 GLY N . . 3.000 2.784 2.740 2.845 . 0 0 "[ . 1 . 2]" 2
5 2 20 GLN O 2 24 GLU H . . 2.000 1.885 1.815 2.015 0.015 6 0 "[ . 1 . 2]" 2
6 2 20 GLN O 2 24 GLU N . . 3.000 2.776 2.733 2.934 . 0 0 "[ . 1 . 2]" 2
7 2 21 MET O 2 25 ARG H . . 2.000 1.903 1.816 2.014 0.014 4 0 "[ . 1 . 2]" 2
8 2 21 MET O 2 25 ARG N . . 3.000 2.836 2.731 2.981 . 0 0 "[ . 1 . 2]" 2
9 2 22 LEU O 2 26 LEU H . . 2.000 1.909 1.813 2.000 . 0 0 "[ . 1 . 2]" 2
10 2 22 LEU O 2 26 LEU N . . 3.000 2.746 2.723 2.802 . 0 0 "[ . 1 . 2]" 2
11 2 23 GLY O 2 27 PHE H . . 2.000 2.020 1.986 2.049 0.049 20 0 "[ . 1 . 2]" 2
12 2 23 GLY O 2 27 PHE N . . 3.000 2.797 2.744 2.840 . 0 0 "[ . 1 . 2]" 2
13 2 25 ARG O 2 29 LEU H . . 2.500 2.559 2.525 2.592 0.092 12 0 "[ . 1 . 2]" 2
14 2 25 ARG O 2 29 LEU N . . 3.500 3.492 3.449 3.522 0.022 12 0 "[ . 1 . 2]" 2
15 2 26 LEU O 2 30 ILE H . . 2.000 2.053 2.021 2.073 0.073 6 0 "[ . 1 . 2]" 2
16 2 26 LEU O 2 30 ILE N . . 3.000 2.956 2.884 3.015 0.015 7 0 "[ . 1 . 2]" 2
17 2 27 PHE O 2 31 GLN H . . 2.500 2.512 2.404 2.596 0.096 14 0 "[ . 1 . 2]" 2
18 2 27 PHE O 2 31 GLN N . . 3.500 3.357 3.268 3.432 . 0 0 "[ . 1 . 2]" 2
19 2 37 LEU O 2 41 ILE H . . 2.000 1.867 1.789 2.009 0.009 19 0 "[ . 1 . 2]" 2
20 2 37 LEU O 2 41 ILE N . . 3.000 2.830 2.748 2.965 . 0 0 "[ . 1 . 2]" 2
21 2 38 ALA O 2 42 THR H . . 2.000 1.946 1.803 2.055 0.055 20 0 "[ . 1 . 2]" 2
22 2 38 ALA O 2 42 THR N . . 3.000 2.898 2.747 3.014 0.014 11 0 "[ . 1 . 2]" 2
23 2 39 GLY O 2 43 GLY H . . 2.000 2.064 2.007 2.095 0.095 14 0 "[ . 1 . 2]" 2
24 2 39 GLY O 2 43 GLY N . . 3.000 2.917 2.867 2.967 . 0 0 "[ . 1 . 2]" 2
25 2 40 LYS O 2 44 MET H . . 2.000 2.068 2.040 2.091 0.091 4 0 "[ . 1 . 2]" 2
26 2 40 LYS O 2 44 MET N . . 3.000 3.042 3.014 3.070 0.070 4 0 "[ . 1 . 2]" 2
27 2 41 ILE O 2 45 LEU H . . 2.000 1.921 1.816 2.031 0.031 1 0 "[ . 1 . 2]" 2
28 2 41 ILE O 2 45 LEU N . . 3.000 2.876 2.773 2.994 . 0 0 "[ . 1 . 2]" 2
29 2 42 THR O 2 46 LEU H . . 2.000 2.100 2.069 2.135 0.135 13 0 "[ . 1 . 2]" 2
30 2 42 THR O 2 46 LEU N . . 3.000 2.836 2.792 2.891 . 0 0 "[ . 1 . 2]" 2
31 2 43 GLY O 2 47 GLU H . . 2.500 2.400 2.360 2.447 . 0 0 "[ . 1 . 2]" 2
32 2 43 GLY O 2 47 GLU N . . 3.000 3.062 3.026 3.103 0.103 14 0 "[ . 1 . 2]" 2
33 2 44 MET O 2 48 ILE H . . 2.500 2.169 2.114 2.200 . 0 0 "[ . 1 . 2]" 2
34 2 44 MET O 2 48 ILE N . . 3.000 3.129 3.067 3.155 0.155 2 0 "[ . 1 . 2]" 2
35 2 49 ASP O 2 53 LEU H . . 2.500 2.375 2.349 2.395 . 0 0 "[ . 1 . 2]" 2
36 2 49 ASP O 2 53 LEU N . . 3.000 3.248 3.228 3.281 0.281 3 0 "[ . 1 . 2]" 2
37 2 50 ASN O 2 54 LEU H . . 2.000 2.076 2.040 2.105 0.105 1 0 "[ . 1 . 2]" 2
38 2 50 ASN O 2 54 LEU N . . 3.000 2.978 2.938 3.008 0.008 2 0 "[ . 1 . 2]" 2
39 2 52 GLU O 2 56 MET H . . 2.000 2.096 2.024 2.132 0.132 4 0 "[ . 1 . 2]" 2
40 2 52 GLU O 2 56 MET N . . 3.000 2.750 2.699 2.817 . 0 0 "[ . 1 . 2]" 2
41 2 53 LEU O 2 57 LEU H . . 2.000 1.927 1.781 2.121 0.121 14 0 "[ . 1 . 2]" 2
42 2 53 LEU O 2 57 LEU N . . 3.000 2.841 2.732 3.038 0.038 14 0 "[ . 1 . 2]" 2
43 2 59 SER O 2 63 LEU H . . 2.000 2.039 1.909 2.093 0.093 4 0 "[ . 1 . 2]" 2
44 2 59 SER O 2 63 LEU N . . 3.000 3.004 2.855 3.071 0.071 4 0 "[ . 1 . 2]" 2
45 2 62 SER O 2 66 LYS H . . 2.000 1.915 1.789 2.011 0.011 11 0 "[ . 1 . 2]" 2
46 2 62 SER O 2 66 LYS N . . 3.000 2.880 2.755 2.977 . 0 0 "[ . 1 . 2]" 2
47 2 63 LEU O 2 67 VAL H . . 2.500 2.058 1.990 2.088 . 0 0 "[ . 1 . 2]" 2
48 2 63 LEU O 2 67 VAL N . . 3.000 3.030 2.946 3.065 0.065 4 0 "[ . 1 . 2]" 2
49 2 64 ARG O 2 68 ASP H . . 2.000 1.902 1.783 2.012 0.012 3 0 "[ . 1 . 2]" 2
50 2 64 ARG O 2 68 ASP N . . 3.000 2.853 2.746 2.968 . 0 0 "[ . 1 . 2]" 2
51 2 65 SER O 2 69 GLU H . . 2.000 1.918 1.802 2.016 0.016 5 0 "[ . 1 . 2]" 2
52 2 65 SER O 2 69 GLU N . . 3.000 2.882 2.769 2.981 . 0 0 "[ . 1 . 2]" 2
53 2 66 LYS O 2 70 ALA H . . 2.000 1.856 1.789 1.955 . 0 0 "[ . 1 . 2]" 2
54 2 66 LYS O 2 70 ALA N . . 3.000 2.834 2.764 2.934 . 0 0 "[ . 1 . 2]" 2
55 2 67 VAL O 2 71 VAL H . . 2.000 2.018 1.983 2.032 0.032 16 0 "[ . 1 . 2]" 2
56 2 67 VAL O 2 71 VAL N . . 3.000 2.990 2.956 3.004 0.004 19 0 "[ . 1 . 2]" 2
57 2 68 ASP O 2 72 ALA H . . 2.000 2.004 1.953 2.028 0.028 13 0 "[ . 1 . 2]" 2
58 2 68 ASP O 2 72 ALA N . . 3.000 2.927 2.885 2.961 . 0 0 "[ . 1 . 2]" 2
59 2 69 GLU O 2 73 VAL H . . 2.000 2.042 2.012 2.072 0.072 4 0 "[ . 1 . 2]" 2
60 2 69 GLU O 2 73 VAL N . . 3.000 2.938 2.909 2.976 . 0 0 "[ . 1 . 2]" 2
61 2 70 ALA O 2 74 LEU H . . 2.000 2.108 2.068 2.135 0.135 12 0 "[ . 1 . 2]" 2
62 2 70 ALA O 2 74 LEU N . . 3.000 3.041 3.009 3.075 0.075 12 0 "[ . 1 . 2]" 2
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