NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
573793 |
2mho   |
19643 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mho
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 1554
_Distance_constraint_stats_list.Viol_count 6700
_Distance_constraint_stats_list.Viol_total 11556.885
_Distance_constraint_stats_list.Viol_max 1.348
_Distance_constraint_stats_list.Viol_rms 0.0552
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0186
_Distance_constraint_stats_list.Viol_average_violations_only 0.0862
_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 2 ALA 1.167 0.151 1 0 "[ . 1 . 2]"
1 3 MET 2.822 0.229 9 0 "[ . 1 . 2]"
1 4 GLU 10.388 0.229 9 0 "[ . 1 . 2]"
1 5 MET 7.217 0.261 6 0 "[ . 1 . 2]"
1 6 GLU 7.461 0.261 6 0 "[ . 1 . 2]"
1 7 TYR 14.525 0.201 6 0 "[ . 1 . 2]"
1 8 GLU 6.137 0.106 8 0 "[ . 1 . 2]"
1 9 GLU 5.256 0.127 19 0 "[ . 1 . 2]"
1 10 ILE 33.954 1.348 9 9 "[ *. **+-** . * *]"
1 11 THR 3.981 0.155 10 0 "[ . 1 . 2]"
1 12 LEU 3.446 0.140 17 0 "[ . 1 . 2]"
1 13 GLU 8.769 0.269 7 0 "[ . 1 . 2]"
1 14 ARG 6.237 0.171 12 0 "[ . 1 . 2]"
1 15 GLY 6.913 0.264 12 0 "[ . 1 . 2]"
1 16 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLY 5.595 0.398 5 0 "[ . 1 . 2]"
1 19 LEU 15.780 0.289 20 0 "[ . 1 . 2]"
1 20 GLY 1.981 0.291 16 0 "[ . 1 . 2]"
1 21 PHE 23.679 0.369 16 0 "[ . 1 . 2]"
1 22 SER 16.259 0.334 5 0 "[ . 1 . 2]"
1 23 ILE 27.190 0.938 11 4 "[ * * 1+ . -2]"
1 24 ALA 8.018 0.305 20 0 "[ . 1 . 2]"
1 25 GLY 0.002 0.002 8 0 "[ . 1 . 2]"
1 26 GLY 6.416 0.330 17 0 "[ . 1 . 2]"
1 27 THR 8.939 0.180 6 0 "[ . 1 . 2]"
1 28 ASP 4.297 0.222 2 0 "[ . 1 . 2]"
1 29 ASN 3.593 0.121 9 0 "[ . 1 . 2]"
1 30 PRO 11.601 0.375 19 0 "[ . 1 . 2]"
1 31 HIS 3.292 0.205 12 0 "[ . 1 . 2]"
1 32 ILE 17.678 0.335 20 0 "[ . 1 . 2]"
1 33 GLY 7.116 0.218 8 0 "[ . 1 . 2]"
1 34 ASP 4.670 0.325 2 0 "[ . 1 . 2]"
1 35 ASP 5.518 0.202 8 0 "[ . 1 . 2]"
1 36 PRO 0.039 0.039 6 0 "[ . 1 . 2]"
1 37 SER 0.046 0.039 4 0 "[ . 1 . 2]"
1 38 ILE 13.165 0.330 17 0 "[ . 1 . 2]"
1 39 PHE 5.145 0.134 12 0 "[ . 1 . 2]"
1 40 ILE 23.728 0.287 18 0 "[ . 1 . 2]"
1 41 THR 12.558 0.287 18 0 "[ . 1 . 2]"
1 42 LYS 17.418 0.216 1 0 "[ . 1 . 2]"
1 43 ILE 14.384 0.205 16 0 "[ . 1 . 2]"
1 44 ILE 17.922 0.291 16 0 "[ . 1 . 2]"
1 45 PRO 3.658 0.199 19 0 "[ . 1 . 2]"
1 46 GLY 0.287 0.039 19 0 "[ . 1 . 2]"
1 47 GLY 3.042 0.172 9 0 "[ . 1 . 2]"
1 48 ALA 4.463 0.254 7 0 "[ . 1 . 2]"
1 49 ALA 2.863 0.130 20 0 "[ . 1 . 2]"
1 50 ALA 2.983 0.084 18 0 "[ . 1 . 2]"
1 51 GLN 4.061 0.160 20 0 "[ . 1 . 2]"
1 52 ASP 5.408 0.158 5 0 "[ . 1 . 2]"
1 53 GLY 1.825 0.130 20 0 "[ . 1 . 2]"
1 54 ARG 5.910 0.180 7 0 "[ . 1 . 2]"
1 55 LEU 10.175 0.194 20 0 "[ . 1 . 2]"
1 56 ARG 4.011 0.258 15 0 "[ . 1 . 2]"
1 57 VAL 14.121 0.241 10 0 "[ . 1 . 2]"
1 58 ASN 7.646 0.241 10 0 "[ . 1 . 2]"
1 59 ASP 11.507 0.258 15 0 "[ . 1 . 2]"
1 60 SER 5.091 0.159 5 0 "[ . 1 . 2]"
1 61 ILE 3.674 0.116 5 0 "[ . 1 . 2]"
1 62 LEU 26.949 0.245 12 0 "[ . 1 . 2]"
1 63 PHE 27.189 0.265 15 0 "[ . 1 . 2]"
1 64 VAL 17.373 0.306 12 0 "[ . 1 . 2]"
1 65 ASN 7.318 0.325 13 0 "[ . 1 . 2]"
1 67 VAL 26.204 0.958 6 9 "[ * *+* 1 *.-***2]"
1 68 ASP 10.306 0.309 13 0 "[ . 1 . 2]"
1 69 VAL 16.838 0.327 12 0 "[ . 1 . 2]"
1 70 ARG 21.391 0.958 6 9 "[ * *+* 1 *.-***2]"
1 71 GLU 14.830 0.430 5 0 "[ . 1 . 2]"
1 72 VAL 15.167 0.430 5 0 "[ . 1 . 2]"
1 73 THR 6.657 0.137 9 0 "[ . 1 . 2]"
1 74 HIS 7.070 0.222 2 0 "[ . 1 . 2]"
1 75 SER 5.613 0.137 9 0 "[ . 1 . 2]"
1 76 ALA 5.776 0.152 16 0 "[ . 1 . 2]"
1 77 ALA 9.049 0.215 13 0 "[ . 1 . 2]"
1 78 VAL 14.032 0.191 6 0 "[ . 1 . 2]"
1 79 GLU 19.709 0.413 12 0 "[ . 1 . 2]"
1 80 ALA 10.579 0.297 13 0 "[ . 1 . 2]"
1 81 LEU 20.907 0.297 13 0 "[ . 1 . 2]"
1 82 LYS 4.876 0.238 15 0 "[ . 1 . 2]"
1 83 GLU 22.349 0.413 12 0 "[ . 1 . 2]"
1 84 ALA 13.273 0.332 15 0 "[ . 1 . 2]"
1 85 GLY 20.913 0.388 7 0 "[ . 1 . 2]"
1 86 SER 7.495 0.388 7 0 "[ . 1 . 2]"
1 87 ILE 19.687 0.384 17 0 "[ . 1 . 2]"
1 88 VAL 28.274 0.661 3 1 "[ + . 1 . 2]"
1 89 ARG 2.209 0.215 11 0 "[ . 1 . 2]"
1 90 LEU 32.846 1.348 9 9 "[ *. **+-** . * *]"
1 91 TYR 15.694 0.260 2 0 "[ . 1 . 2]"
1 92 VAL 20.016 0.260 2 0 "[ . 1 . 2]"
1 93 MET 12.225 0.227 15 0 "[ . 1 . 2]"
1 94 ARG 2.779 0.169 4 0 "[ . 1 . 2]"
1 95 ARG 5.380 0.169 4 0 "[ . 1 . 2]"
1 96 LYS 6.429 0.163 5 0 "[ . 1 . 2]"
2 1 VAL 6.621 0.295 6 0 "[ . 1 . 2]"
2 2 VAL 3.001 0.201 15 0 "[ . 1 . 2]"
2 3 SER 13.880 0.399 7 0 "[ . 1 . 2]"
2 4 GLU 12.226 0.399 7 0 "[ . 1 . 2]"
2 5 ARG 0.338 0.052 4 0 "[ . 1 . 2]"
2 6 ILE 22.816 0.938 11 4 "[ * * 1+ . -2]"
2 7 SER 3.482 0.353 4 0 "[ . 1 . 2]"
2 8 SER 5.909 0.274 12 0 "[ . 1 . 2]"
2 9 VAL 30.648 0.398 5 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 19 LEU HG 1 20 GLY H 3.650 . 5.500 5.023 4.443 5.549 0.049 18 0 "[ . 1 . 2]" 1
2 1 20 GLY H 1 48 ALA MB 3.650 . 5.500 4.376 3.283 5.116 . 0 0 "[ . 1 . 2]" 1
3 1 20 GLY H 1 49 ALA MB 3.515 . 5.230 4.304 3.258 5.256 0.026 16 0 "[ . 1 . 2]" 1
4 1 20 GLY H 1 44 ILE MD 3.060 . 4.320 4.062 3.598 4.611 0.291 16 0 "[ . 1 . 2]" 1
5 1 19 LEU MD1 1 20 GLY H 3.545 . 5.290 4.881 3.304 5.306 0.016 5 0 "[ . 1 . 2]" 1
6 1 20 GLY H 2 9 VAL QG 3.650 . 5.500 4.594 3.179 5.446 . 0 0 "[ . 1 . 2]" 1
7 1 26 GLY H 1 27 THR MG 3.600 . 5.400 4.995 4.777 5.239 . 0 0 "[ . 1 . 2]" 1
8 1 26 GLY H 1 38 ILE MG 3.345 . 4.890 4.498 4.383 5.014 0.124 12 0 "[ . 1 . 2]" 1
9 1 26 GLY H 1 38 ILE MD 2.975 . 4.150 2.337 2.230 2.569 . 0 0 "[ . 1 . 2]" 1
10 1 26 GLY H 1 27 THR HA 3.465 . 5.130 5.171 5.130 5.204 0.074 5 0 "[ . 1 . 2]" 1
11 1 26 GLY H 1 74 HIS HA 3.650 . 5.500 5.054 4.722 5.390 . 0 0 "[ . 1 . 2]" 1
12 1 18 GLY H 1 19 LEU MD1 3.650 . 5.500 5.299 4.607 5.571 0.071 1 0 "[ . 1 . 2]" 1
13 1 18 GLY H 2 9 VAL QG 3.650 . 5.500 5.189 4.512 5.898 0.398 5 0 "[ . 1 . 2]" 1
14 1 18 GLY H 1 19 LEU MD2 3.650 . 5.500 4.948 4.615 5.470 . 0 0 "[ . 1 . 2]" 1
15 1 72 VAL HA 1 73 THR H 2.630 . 3.460 2.419 2.284 2.520 . 0 0 "[ . 1 . 2]" 1
16 1 27 THR HB 1 73 THR H 3.650 . 5.500 5.553 5.495 5.596 0.096 3 0 "[ . 1 . 2]" 1
17 1 73 THR H 1 76 ALA HA 3.650 . 5.500 5.525 5.427 5.573 0.073 10 0 "[ . 1 . 2]" 1
18 1 72 VAL HB 1 73 THR H 2.505 . 3.210 2.474 2.109 2.631 . 0 0 "[ . 1 . 2]" 1
19 1 73 THR H 1 76 ALA MB 2.460 . 3.120 2.534 2.447 2.581 . 0 0 "[ . 1 . 2]" 1
20 1 72 VAL MG1 1 73 THR H 2.850 . 3.900 3.853 3.702 3.930 0.030 19 0 "[ . 1 . 2]" 1
21 1 72 VAL MG2 1 73 THR H 2.850 . 3.900 3.330 3.096 3.531 . 0 0 "[ . 1 . 2]" 1
22 1 73 THR H 1 76 ALA H 3.140 . 4.480 4.304 4.026 4.429 . 0 0 "[ . 1 . 2]" 1
23 1 73 THR HB 1 75 SER H 3.045 . 4.290 3.145 3.092 3.181 . 0 0 "[ . 1 . 2]" 1
24 1 75 SER H 1 78 VAL MG2 3.370 . 4.940 4.674 4.446 4.866 . 0 0 "[ . 1 . 2]" 1
25 1 75 SER H 1 77 ALA H 3.130 . 4.460 4.326 4.245 4.457 . 0 0 "[ . 1 . 2]" 1
26 1 73 THR HA 1 75 SER H 3.500 . 5.200 4.967 4.877 5.057 . 0 0 "[ . 1 . 2]" 1
27 1 75 SER H 1 75 SER QB 2.450 . 3.100 2.528 2.291 2.761 . 0 0 "[ . 1 . 2]" 1
28 1 74 HIS HB3 1 75 SER H 2.870 . 3.940 3.478 2.465 4.023 0.083 12 0 "[ . 1 . 2]" 1
29 1 74 HIS HB2 1 75 SER H 2.870 . 3.940 3.802 3.728 3.947 0.007 17 0 "[ . 1 . 2]" 1
30 1 75 SER H 1 78 VAL HB 3.520 . 5.240 5.212 5.114 5.277 0.037 10 0 "[ . 1 . 2]" 1
31 1 75 SER H 1 76 ALA MB 3.225 . 4.650 4.433 4.391 4.493 . 0 0 "[ . 1 . 2]" 1
32 1 63 PHE H 1 90 LEU HA 3.650 . 5.500 5.522 5.464 5.564 0.064 6 0 "[ . 1 . 2]" 1
33 1 62 LEU HG 1 63 PHE H 2.900 . 4.000 2.622 2.552 2.677 . 0 0 "[ . 1 . 2]" 1
34 1 62 LEU HB2 1 63 PHE H 2.980 . 4.160 3.890 3.848 3.956 . 0 0 "[ . 1 . 2]" 1
35 1 62 LEU MD2 1 63 PHE H 2.900 . 4.000 3.237 3.161 3.352 . 0 0 "[ . 1 . 2]" 1
36 1 62 LEU MD1 1 63 PHE H 2.965 . 4.130 4.165 4.107 4.201 0.071 20 0 "[ . 1 . 2]" 1
37 1 61 ILE MG 1 63 PHE H 2.600 . 3.400 2.631 2.510 2.766 . 0 0 "[ . 1 . 2]" 1
38 1 61 ILE HA 1 63 PHE H 2.945 . 4.090 3.979 3.922 4.020 . 0 0 "[ . 1 . 2]" 1
39 1 63 PHE H 1 91 TYR HB3 2.915 . 4.030 2.615 2.578 2.674 . 0 0 "[ . 1 . 2]" 1
40 1 63 PHE H 1 91 TYR HB2 3.075 . 4.350 4.195 4.162 4.239 . 0 0 "[ . 1 . 2]" 1
41 1 63 PHE H 1 63 PHE HB2 2.775 . 3.750 2.856 2.822 2.908 . 0 0 "[ . 1 . 2]" 1
42 1 62 LEU HB3 1 63 PHE H 2.960 . 4.120 4.233 4.213 4.260 0.140 4 0 "[ . 1 . 2]" 1
43 1 63 PHE H 1 63 PHE QD 2.875 . 3.950 3.246 3.186 3.322 . 0 0 "[ . 1 . 2]" 1
44 1 45 PRO HB3 1 46 GLY H 3.195 . 4.590 4.448 4.418 4.486 . 0 0 "[ . 1 . 2]" 1
45 1 45 PRO QG 1 46 GLY H 3.045 . 4.290 4.247 4.202 4.291 0.001 15 0 "[ . 1 . 2]" 1
46 1 45 PRO HB2 1 46 GLY H 3.195 . 4.590 3.298 3.244 3.364 . 0 0 "[ . 1 . 2]" 1
47 1 44 ILE MG 1 46 GLY H 3.240 . 4.680 2.372 2.277 2.452 . 0 0 "[ . 1 . 2]" 1
48 1 16 ASN HB2 1 17 SER H 3.590 . 5.380 3.468 2.832 4.262 . 0 0 "[ . 1 . 2]" 1
49 1 16 ASN HB3 1 17 SER H 3.590 . 5.380 4.074 3.657 4.583 . 0 0 "[ . 1 . 2]" 1
50 1 17 SER H 1 18 GLY H 3.235 . 4.670 2.463 2.064 2.672 . 0 0 "[ . 1 . 2]" 1
51 1 15 GLY H 1 19 LEU HA 3.585 . 5.370 3.970 2.787 5.498 0.128 5 0 "[ . 1 . 2]" 1
52 1 14 ARG HA 1 15 GLY H 2.475 . 3.150 2.074 1.971 2.286 . 0 0 "[ . 1 . 2]" 1
53 1 15 GLY H 1 19 LEU HG 2.975 . 4.150 3.478 2.323 4.370 0.220 20 0 "[ . 1 . 2]" 1
54 1 15 GLY H 1 19 LEU MD2 2.960 . 4.120 2.899 1.883 4.221 0.101 19 0 "[ . 1 . 2]" 1
55 1 27 THR H 1 73 THR HA 2.605 . 3.410 2.022 1.908 2.124 . 0 0 "[ . 1 . 2]" 1
56 1 27 THR H 1 27 THR MG 2.610 . 3.420 3.331 3.249 3.386 . 0 0 "[ . 1 . 2]" 1
57 1 27 THR H 1 73 THR MG 2.745 . 3.690 2.876 2.604 3.020 . 0 0 "[ . 1 . 2]" 1
58 1 27 THR H 1 73 THR H 3.335 . 4.870 4.128 3.903 4.280 . 0 0 "[ . 1 . 2]" 1
59 1 27 THR H 1 29 ASN H 3.305 . 4.810 3.546 3.337 3.713 . 0 0 "[ . 1 . 2]" 1
60 1 27 THR H 1 28 ASP H 2.825 . 3.850 2.370 2.275 2.468 . 0 0 "[ . 1 . 2]" 1
61 1 22 SER H 1 42 LYS HG2 3.650 . 5.500 5.249 4.432 5.569 0.069 14 0 "[ . 1 . 2]" 1
62 1 22 SER H 1 42 LYS HG3 3.650 . 5.500 4.857 3.308 5.567 0.067 12 0 "[ . 1 . 2]" 1
63 1 27 THR H 1 38 ILE MD 3.375 . 4.950 4.800 4.566 4.968 0.018 4 0 "[ . 1 . 2]" 1
64 1 26 GLY H 1 27 THR H 3.155 . 4.510 4.165 3.886 4.355 . 0 0 "[ . 1 . 2]" 1
65 1 22 SER H 1 42 LYS HB3 3.160 . 4.520 2.874 2.743 2.958 . 0 0 "[ . 1 . 2]" 1
66 1 22 SER H 1 42 LYS HB2 3.160 . 4.520 4.365 4.141 4.547 0.027 10 0 "[ . 1 . 2]" 1
67 1 22 SER H 1 42 LYS QD 3.210 . 4.620 4.145 3.765 4.764 0.144 16 0 "[ . 1 . 2]" 1
68 1 22 SER H 1 40 ILE MG 2.810 . 3.820 3.746 3.613 3.857 0.037 16 0 "[ . 1 . 2]" 1
69 1 22 SER H 1 40 ILE MD 3.650 . 5.500 5.558 5.518 5.673 0.173 16 0 "[ . 1 . 2]" 1
70 1 22 SER H 1 55 LEU MD2 3.650 . 5.500 5.502 5.358 5.607 0.107 20 0 "[ . 1 . 2]" 1
71 1 22 SER H 1 43 ILE HA 2.920 . 4.040 4.024 3.918 4.073 0.033 16 0 "[ . 1 . 2]" 1
72 1 21 PHE HB2 1 22 SER H 3.080 . 4.360 2.813 2.717 2.920 . 0 0 "[ . 1 . 2]" 1
73 1 21 PHE HB3 1 22 SER H 3.080 . 4.360 4.167 4.092 4.267 . 0 0 "[ . 1 . 2]" 1
74 1 22 SER H 1 44 ILE H 3.540 . 5.280 5.248 5.112 5.354 0.074 16 0 "[ . 1 . 2]" 1
75 1 21 PHE H 1 22 SER H 3.320 . 4.840 4.551 4.488 4.908 0.068 16 0 "[ . 1 . 2]" 1
76 1 22 SER H 1 42 LYS H 2.890 . 3.980 3.411 3.204 3.558 . 0 0 "[ . 1 . 2]" 1
77 1 32 ILE HA 1 33 GLY H 2.630 . 3.460 3.179 1.985 3.492 0.032 6 0 "[ . 1 . 2]" 1
78 1 33 GLY H 1 34 ASP H 2.670 . 3.540 2.678 1.943 3.390 . 0 0 "[ . 1 . 2]" 1
79 1 32 ILE H 1 33 GLY H 3.075 . 4.350 2.323 1.874 3.739 . 0 0 "[ . 1 . 2]" 1
80 1 32 ILE HB 1 33 GLY H 3.200 . 4.600 4.208 3.460 4.667 0.067 20 0 "[ . 1 . 2]" 1
81 1 32 ILE MG 1 33 GLY H 2.950 . 4.100 3.742 2.865 4.125 0.025 5 0 "[ . 1 . 2]" 1
82 1 32 ILE MD 1 33 GLY H 3.465 . 5.130 4.304 1.693 5.204 0.074 19 0 "[ . 1 . 2]" 1
83 1 23 ILE H 2 8 SER QB 3.265 . 4.730 1.699 1.565 1.854 . 0 0 "[ . 1 . 2]" 1
84 1 22 SER HB3 1 23 ILE H 3.265 . 4.730 2.813 2.683 2.958 . 0 0 "[ . 1 . 2]" 1
85 1 22 SER HB2 1 23 ILE H 3.265 . 4.730 4.058 3.981 4.160 . 0 0 "[ . 1 . 2]" 1
86 1 23 ILE H 2 6 ILE MD 2.725 . 3.650 3.167 2.980 3.360 . 0 0 "[ . 1 . 2]" 1
87 1 23 ILE H 1 24 ALA H 3.290 . 4.780 4.569 4.517 4.699 . 0 0 "[ . 1 . 2]" 1
88 1 22 SER H 1 23 ILE H 3.285 . 4.770 4.502 4.441 4.572 . 0 0 "[ . 1 . 2]" 1
89 1 30 PRO HA 1 32 ILE H 3.075 . 4.350 4.357 3.952 4.461 0.111 17 0 "[ . 1 . 2]" 1
90 1 30 PRO HB2 1 32 ILE H 2.920 . 4.040 4.143 3.664 4.225 0.185 1 0 "[ . 1 . 2]" 1
91 1 30 PRO HB3 1 32 ILE H 3.470 . 5.140 4.146 3.763 4.756 . 0 0 "[ . 1 . 2]" 1
92 1 32 ILE H 1 32 ILE HB 2.935 . 4.070 3.191 2.449 4.123 0.053 2 0 "[ . 1 . 2]" 1
93 1 32 ILE H 1 32 ILE MG 2.605 . 3.410 2.818 2.423 3.499 0.089 11 0 "[ . 1 . 2]" 1
94 1 32 ILE H 1 32 ILE MD 3.145 . 4.490 4.101 2.460 4.573 0.083 14 0 "[ . 1 . 2]" 1
95 1 84 ALA MB 1 86 SER H 3.195 . 4.590 3.606 3.522 3.710 . 0 0 "[ . 1 . 2]" 1
96 1 86 SER H 1 87 ILE HG12 3.370 . 4.940 4.707 4.523 4.883 . 0 0 "[ . 1 . 2]" 1
97 1 59 ASP HB3 1 60 SER H 3.015 . 4.230 3.720 3.540 3.794 . 0 0 "[ . 1 . 2]" 1
98 1 59 ASP HB2 1 60 SER H 3.015 . 4.230 3.364 3.198 3.490 . 0 0 "[ . 1 . 2]" 1
99 1 60 SER H 1 92 VAL HB 3.115 . 4.430 4.472 4.440 4.506 0.076 15 0 "[ . 1 . 2]" 1
100 1 85 GLY H 1 86 SER H 2.775 . 3.750 3.107 2.882 3.393 . 0 0 "[ . 1 . 2]" 1
101 1 60 SER H 1 61 ILE H 3.245 . 4.690 4.204 4.159 4.265 . 0 0 "[ . 1 . 2]" 1
102 1 86 SER H 1 87 ILE H 2.555 . 3.310 1.867 1.785 2.006 . 0 0 "[ . 1 . 2]" 1
103 1 83 GLU H 1 84 ALA HA 3.640 . 5.480 5.447 5.283 5.591 0.111 20 0 "[ . 1 . 2]" 1
104 1 82 LYS HA 1 83 GLU H 2.685 . 3.570 3.594 3.567 3.606 0.036 15 0 "[ . 1 . 2]" 1
105 1 83 GLU H 1 83 GLU HG2 2.965 . 4.130 3.624 2.730 3.948 . 0 0 "[ . 1 . 2]" 1
106 1 82 LYS HB3 1 83 GLU H 2.885 . 3.970 3.732 3.518 3.931 . 0 0 "[ . 1 . 2]" 1
107 1 82 LYS HB2 1 83 GLU H 2.435 . 3.070 3.077 2.925 3.165 0.095 13 0 "[ . 1 . 2]" 1
108 1 83 GLU H 1 84 ALA MB 3.180 . 4.560 4.566 4.471 4.619 0.059 15 0 "[ . 1 . 2]" 1
109 1 80 ALA H 1 83 GLU H 3.400 . 5.000 4.810 4.630 5.016 0.016 15 0 "[ . 1 . 2]" 1
110 1 81 LEU H 1 83 GLU H 3.090 . 4.380 3.986 3.765 4.224 . 0 0 "[ . 1 . 2]" 1
111 1 40 ILE H 1 60 SER H 2.750 . 3.700 3.759 3.672 3.849 0.149 5 0 "[ . 1 . 2]" 1
112 1 78 VAL HA 1 81 LEU H 3.090 . 4.380 3.498 3.328 3.753 . 0 0 "[ . 1 . 2]" 1
113 1 79 GLU QG 1 81 LEU H 3.650 . 5.500 5.658 5.616 5.710 0.210 20 0 "[ . 1 . 2]" 1
114 1 81 LEU H 1 81 LEU HB2 2.480 . 3.160 2.613 2.359 2.767 . 0 0 "[ . 1 . 2]" 1
115 1 81 LEU H 1 81 LEU HG 2.615 . 3.430 2.863 2.720 3.554 0.124 13 0 "[ . 1 . 2]" 1
116 1 81 LEU H 1 84 ALA MB 3.645 . 5.490 5.333 4.984 5.578 0.088 20 0 "[ . 1 . 2]" 1
117 1 80 ALA MB 1 81 LEU H 2.545 . 3.290 3.027 2.949 3.078 . 0 0 "[ . 1 . 2]" 1
118 1 81 LEU H 1 81 LEU HB3 2.745 . 3.690 3.718 3.544 3.753 0.063 18 0 "[ . 1 . 2]" 1
119 1 81 LEU H 1 81 LEU MD2 2.930 . 4.060 3.692 2.566 4.224 0.164 4 0 "[ . 1 . 2]" 1
120 1 81 LEU H 1 84 ALA H 3.540 . 5.280 5.174 5.078 5.316 0.036 7 0 "[ . 1 . 2]" 1
121 1 27 THR HB 1 28 ASP H 3.400 . 5.000 3.689 3.515 3.880 . 0 0 "[ . 1 . 2]" 1
122 1 28 ASP H 1 29 ASN HA 3.430 . 5.060 4.999 4.923 5.065 0.005 17 0 "[ . 1 . 2]" 1
123 1 28 ASP H 1 73 THR HA 3.080 . 4.360 3.446 3.332 3.625 . 0 0 "[ . 1 . 2]" 1
124 1 28 ASP H 1 28 ASP HB2 2.840 . 3.880 2.839 2.581 3.940 0.060 2 0 "[ . 1 . 2]" 1
125 1 28 ASP H 1 28 ASP HB3 2.840 . 3.880 3.770 3.517 3.864 . 0 0 "[ . 1 . 2]" 1
126 1 28 ASP H 1 73 THR MG 2.710 . 3.620 2.345 2.171 2.567 . 0 0 "[ . 1 . 2]" 1
127 1 51 GLN H 1 52 ASP HA 3.650 . 5.500 5.385 5.333 5.412 . 0 0 "[ . 1 . 2]" 1
128 1 51 GLN H 1 51 GLN HG2 2.625 . 3.450 3.396 2.787 3.588 0.138 9 0 "[ . 1 . 2]" 1
129 1 51 GLN H 1 51 GLN HG3 2.625 . 3.450 2.968 2.733 3.610 0.160 20 0 "[ . 1 . 2]" 1
130 1 51 GLN H 1 51 GLN QB 2.325 . 2.850 2.490 2.321 2.563 . 0 0 "[ . 1 . 2]" 1
131 1 50 ALA MB 1 51 GLN H 2.490 . 3.180 2.714 2.638 2.758 . 0 0 "[ . 1 . 2]" 1
132 1 21 PHE H 1 44 ILE HB 3.650 . 5.500 4.391 4.236 4.607 . 0 0 "[ . 1 . 2]" 1
133 1 21 PHE H 1 44 ILE MD 2.830 . 3.860 2.784 2.588 3.637 . 0 0 "[ . 1 . 2]" 1
134 1 21 PHE H 1 43 ILE MD 3.475 . 5.150 5.269 5.008 5.310 0.160 5 0 "[ . 1 . 2]" 1
135 1 21 PHE H 1 55 LEU MD2 3.650 . 5.500 5.501 5.114 5.549 0.049 17 0 "[ . 1 . 2]" 1
136 1 28 ASP H 1 73 THR H 3.650 . 5.500 5.441 5.292 5.531 0.031 7 0 "[ . 1 . 2]" 1
137 1 47 GLY H 1 51 GLN H 3.270 . 4.740 4.596 4.360 4.727 . 0 0 "[ . 1 . 2]" 1
138 1 51 GLN H 1 53 GLY H 3.430 . 5.060 4.243 3.962 4.357 . 0 0 "[ . 1 . 2]" 1
139 1 49 ALA H 1 51 GLN H 3.270 . 4.740 4.532 4.491 4.606 . 0 0 "[ . 1 . 2]" 1
140 1 75 SER HA 1 78 VAL H 2.765 . 3.730 3.514 3.436 3.599 . 0 0 "[ . 1 . 2]" 1
141 1 78 VAL H 1 79 GLU QG 3.455 . 5.110 4.766 4.721 4.896 . 0 0 "[ . 1 . 2]" 1
142 1 78 VAL H 1 78 VAL HB 2.440 . 3.080 2.655 2.622 2.724 . 0 0 "[ . 1 . 2]" 1
143 1 76 ALA MB 1 78 VAL H 3.285 . 4.770 4.860 4.841 4.890 0.120 8 0 "[ . 1 . 2]" 1
144 1 77 ALA MB 1 78 VAL H 2.575 . 3.350 2.827 2.747 2.972 . 0 0 "[ . 1 . 2]" 1
145 1 78 VAL H 1 78 VAL MG2 2.410 . 3.020 2.389 2.316 2.450 . 0 0 "[ . 1 . 2]" 1
146 1 23 ILE MD 1 78 VAL H 2.845 . 3.890 3.836 3.690 3.923 0.033 8 0 "[ . 1 . 2]" 1
147 1 21 PHE H 1 21 PHE QD 2.965 . 4.130 3.066 2.093 3.257 . 0 0 "[ . 1 . 2]" 1
148 1 76 ALA H 1 78 VAL H 3.070 . 4.340 4.238 4.099 4.321 . 0 0 "[ . 1 . 2]" 1
149 1 35 ASP HA 1 37 SER H 3.330 . 4.860 4.467 4.071 4.698 . 0 0 "[ . 1 . 2]" 1
150 1 37 SER H 1 37 SER HB3 3.000 . 4.200 3.193 2.625 3.752 . 0 0 "[ . 1 . 2]" 1
151 1 37 SER H 1 37 SER HB2 3.000 . 4.200 3.159 2.501 3.785 . 0 0 "[ . 1 . 2]" 1
152 1 49 ALA HA 1 52 ASP H 3.455 . 5.110 4.592 4.509 4.688 . 0 0 "[ . 1 . 2]" 1
153 1 52 ASP H 1 52 ASP HB3 2.605 . 3.410 3.560 3.541 3.568 0.158 5 0 "[ . 1 . 2]" 1
154 1 52 ASP H 1 52 ASP HB2 2.605 . 3.410 2.305 2.287 2.322 . 0 0 "[ . 1 . 2]" 1
155 1 51 GLN QB 1 52 ASP H 2.550 . 3.300 2.675 2.639 2.699 . 0 0 "[ . 1 . 2]" 1
156 1 71 GLU HB3 1 72 VAL H 3.260 . 4.720 4.308 4.061 4.617 . 0 0 "[ . 1 . 2]" 1
157 1 71 GLU HB2 1 72 VAL H 3.260 . 4.720 4.651 3.853 4.744 0.024 17 0 "[ . 1 . 2]" 1
158 1 27 THR MG 1 72 VAL H 2.735 . 3.670 2.688 2.555 2.875 . 0 0 "[ . 1 . 2]" 1
159 1 72 VAL H 1 72 VAL MG1 2.775 . 3.750 3.405 3.331 3.504 . 0 0 "[ . 1 . 2]" 1
160 1 72 VAL H 1 72 VAL MG2 2.775 . 3.750 3.095 2.969 3.189 . 0 0 "[ . 1 . 2]" 1
161 1 71 GLU HA 1 72 VAL H 2.620 . 3.440 2.259 2.125 2.340 . 0 0 "[ . 1 . 2]" 1
162 1 48 ALA HA 1 52 ASP H 2.860 . 3.920 3.296 3.240 3.392 . 0 0 "[ . 1 . 2]" 1
163 1 72 VAL H 1 73 THR H 3.130 . 4.460 4.481 4.373 4.519 0.059 6 0 "[ . 1 . 2]" 1
164 1 40 ILE HB 1 41 THR H 3.240 . 4.680 3.457 3.415 3.561 . 0 0 "[ . 1 . 2]" 1
165 1 92 VAL HB 1 93 MET H 2.530 . 3.260 2.349 2.309 2.401 . 0 0 "[ . 1 . 2]" 1
166 1 41 THR H 1 42 LYS HB3 3.415 . 5.030 4.860 4.545 5.036 0.006 14 0 "[ . 1 . 2]" 1
167 1 93 MET H 1 93 MET HB3 2.655 . 3.510 3.523 3.465 3.545 0.035 5 0 "[ . 1 . 2]" 1
168 1 41 THR H 1 42 LYS HB2 3.415 . 5.030 4.834 4.674 5.113 0.083 13 0 "[ . 1 . 2]" 1
169 1 62 LEU MD2 1 93 MET H 2.920 . 4.040 3.435 3.373 3.471 . 0 0 "[ . 1 . 2]" 1
170 1 41 THR H 1 57 VAL QG 3.100 . 3.710 3.129 2.969 3.259 . 0 0 "[ . 1 . 2]" 1
171 1 92 VAL MG2 1 93 MET H 2.490 . 3.180 3.351 3.332 3.375 0.195 14 0 "[ . 1 . 2]" 1
172 1 41 THR H 1 43 ILE MD 3.220 . 4.640 4.732 4.698 4.759 0.119 5 0 "[ . 1 . 2]" 1
173 1 40 ILE MD 1 41 THR H 2.975 . 4.150 4.425 4.406 4.437 0.287 18 0 "[ . 1 . 2]" 1
174 1 59 ASP HA 1 93 MET H 3.370 . 4.940 4.594 4.535 4.655 . 0 0 "[ . 1 . 2]" 1
175 1 41 THR H 1 42 LYS HA 3.250 . 4.700 4.605 4.486 4.666 . 0 0 "[ . 1 . 2]" 1
176 1 61 ILE HA 1 93 MET H 3.145 . 4.490 4.099 4.022 4.182 . 0 0 "[ . 1 . 2]" 1
177 1 23 ILE HA 1 41 THR H 2.990 . 4.180 4.193 4.126 4.229 0.049 4 0 "[ . 1 . 2]" 1
178 1 92 VAL HA 1 93 MET H 2.620 . 3.440 2.413 2.373 2.444 . 0 0 "[ . 1 . 2]" 1
179 1 7 TYR QD 1 93 MET H 3.430 . 5.060 5.075 5.015 5.112 0.052 6 0 "[ . 1 . 2]" 1
180 1 8 GLU H 1 93 MET H 3.390 . 4.980 5.020 4.995 5.042 0.062 19 0 "[ . 1 . 2]" 1
181 1 79 GLU H 1 79 GLU QG 2.515 . 3.230 2.596 2.522 2.716 . 0 0 "[ . 1 . 2]" 1
182 1 78 VAL HB 1 79 GLU H 2.395 . 2.990 3.031 3.017 3.051 0.061 14 0 "[ . 1 . 2]" 1
183 1 79 GLU H 1 80 ALA MB 3.135 . 4.470 4.506 4.473 4.535 0.065 15 0 "[ . 1 . 2]" 1
184 1 77 ALA MB 1 79 GLU H 3.310 . 4.820 4.908 4.886 4.944 0.124 16 0 "[ . 1 . 2]" 1
185 1 12 LEU QD 1 49 ALA H 2.830 . 3.860 3.494 3.319 3.710 . 0 0 "[ . 1 . 2]" 1
186 1 78 VAL MG2 1 79 GLU H 2.930 . 4.060 4.131 4.106 4.151 0.091 10 0 "[ . 1 . 2]" 1
187 1 78 VAL H 1 79 GLU H 2.460 . 3.120 2.767 2.718 2.812 . 0 0 "[ . 1 . 2]" 1
188 1 76 ALA H 1 79 GLU H 3.415 . 5.030 4.928 4.750 5.026 . 0 0 "[ . 1 . 2]" 1
189 1 79 GLU H 1 81 LEU H 3.540 . 5.280 4.206 4.104 4.343 . 0 0 "[ . 1 . 2]" 1
190 1 2 ALA MB 1 3 MET H 2.815 . 3.830 3.059 2.541 3.535 . 0 0 "[ . 1 . 2]" 1
191 1 2 ALA HA 1 3 MET H 2.410 . 3.020 2.293 2.073 3.171 0.151 1 0 "[ . 1 . 2]" 1
192 1 48 ALA MB 1 49 ALA H 2.460 . 3.120 2.895 2.850 2.957 . 0 0 "[ . 1 . 2]" 1
193 1 49 ALA H 1 49 ALA MB 2.405 . 3.010 2.333 2.311 2.357 . 0 0 "[ . 1 . 2]" 1
194 1 83 GLU HG2 1 84 ALA H 3.425 . 5.050 4.671 3.258 5.151 0.101 2 0 "[ . 1 . 2]" 1
195 1 29 ASN H 1 29 ASN HB2 2.900 . 4.000 2.643 2.544 2.852 . 0 0 "[ . 1 . 2]" 1
196 1 83 GLU HB3 1 84 ALA H 3.025 . 4.250 4.037 3.176 4.262 0.012 3 0 "[ . 1 . 2]" 1
197 1 83 GLU HG3 1 84 ALA H 3.425 . 5.050 4.462 3.058 5.005 . 0 0 "[ . 1 . 2]" 1
198 1 40 ILE H 1 40 ILE HB 2.635 . 3.470 3.009 2.964 3.040 . 0 0 "[ . 1 . 2]" 1
199 1 83 GLU HB2 1 84 ALA H 3.025 . 4.250 3.751 3.429 4.273 0.023 15 0 "[ . 1 . 2]" 1
200 1 84 ALA H 1 84 ALA MB 2.310 . 2.820 2.329 2.162 2.419 . 0 0 "[ . 1 . 2]" 1
201 1 54 ARG H 1 55 LEU HB3 3.310 . 4.820 4.391 4.066 4.560 . 0 0 "[ . 1 . 2]" 1
202 1 40 ILE H 1 40 ILE HG12 2.790 . 3.780 2.315 2.298 2.329 . 0 0 "[ . 1 . 2]" 1
203 1 29 ASN H 1 73 THR MG 3.125 . 4.450 3.110 2.761 3.341 . 0 0 "[ . 1 . 2]" 1
204 1 54 ARG H 1 55 LEU HB2 3.650 . 5.500 4.945 4.280 5.328 . 0 0 "[ . 1 . 2]" 1
205 1 40 ILE H 1 40 ILE HG13 2.790 . 3.780 3.845 3.835 3.861 0.081 8 0 "[ . 1 . 2]" 1
206 1 12 LEU QD 1 54 ARG H 3.455 . 5.110 4.220 3.738 4.738 . 0 0 "[ . 1 . 2]" 1
207 1 10 ILE MG 1 54 ARG H 3.365 . 4.930 4.412 4.018 4.953 0.023 13 0 "[ . 1 . 2]" 1
208 1 40 ILE H 1 40 ILE MG 2.860 . 3.920 3.985 3.968 4.013 0.093 8 0 "[ . 1 . 2]" 1
209 1 54 ARG H 1 55 LEU MD2 3.650 . 5.500 5.552 5.357 5.648 0.148 12 0 "[ . 1 . 2]" 1
210 1 40 ILE H 1 40 ILE MD 2.735 . 3.670 2.853 2.792 2.913 . 0 0 "[ . 1 . 2]" 1
211 1 40 ILE H 1 57 VAL HA 3.340 . 4.880 4.939 4.709 5.023 0.143 20 0 "[ . 1 . 2]" 1
212 1 29 ASN H 1 29 ASN HB3 2.900 . 4.000 3.567 2.730 3.789 . 0 0 "[ . 1 . 2]" 1
213 1 39 PHE HA 1 40 ILE H 2.645 . 3.490 2.450 2.343 2.571 . 0 0 "[ . 1 . 2]" 1
214 1 40 ILE H 1 60 SER HA 2.875 . 3.950 2.942 2.784 3.096 . 0 0 "[ . 1 . 2]" 1
215 1 26 GLY HA2 1 29 ASN H 3.160 . 4.520 3.749 3.202 4.220 . 0 0 "[ . 1 . 2]" 1
216 1 26 GLY HA3 1 29 ASN H 3.160 . 4.520 3.458 2.999 3.930 . 0 0 "[ . 1 . 2]" 1
217 1 80 ALA HA 1 84 ALA H 3.460 . 5.120 4.590 4.337 4.965 . 0 0 "[ . 1 . 2]" 1
218 1 82 LYS HA 1 84 ALA H 3.555 . 5.310 4.736 4.379 4.938 . 0 0 "[ . 1 . 2]" 1
219 1 27 THR HA 1 29 ASN H 3.355 . 4.910 4.955 4.893 5.004 0.094 6 0 "[ . 1 . 2]" 1
220 1 81 LEU HA 1 84 ALA H 3.035 . 4.270 4.321 4.063 4.415 0.145 13 0 "[ . 1 . 2]" 1
221 1 39 PHE QD 1 40 ILE H 3.000 . 4.200 3.633 2.734 4.315 0.115 12 0 "[ . 1 . 2]" 1
222 1 40 ILE H 1 61 ILE H 3.160 . 4.520 4.270 4.068 4.413 . 0 0 "[ . 1 . 2]" 1
223 1 39 PHE H 1 40 ILE H 3.220 . 4.640 4.647 4.570 4.686 0.046 18 0 "[ . 1 . 2]" 1
224 1 53 GLY H 1 54 ARG H 2.950 . 4.100 2.754 2.646 3.080 . 0 0 "[ . 1 . 2]" 1
225 1 4 GLU HA 1 5 MET H 2.335 . 2.870 2.478 2.121 2.802 . 0 0 "[ . 1 . 2]" 1
226 1 77 ALA HA 1 80 ALA H 2.920 . 4.040 4.005 3.840 4.096 0.056 8 0 "[ . 1 . 2]" 1
227 1 5 MET H 1 5 MET HG3 2.705 . 3.610 3.401 3.241 3.639 0.029 6 0 "[ . 1 . 2]" 1
228 1 5 MET H 1 5 MET HG2 2.665 . 3.530 2.301 2.082 2.519 . 0 0 "[ . 1 . 2]" 1
229 1 69 VAL HB 1 71 GLU H 3.650 . 5.500 5.405 5.161 5.827 0.327 12 0 "[ . 1 . 2]" 1
230 1 71 GLU H 1 72 VAL HB 3.650 . 5.500 5.698 5.599 5.930 0.430 5 0 "[ . 1 . 2]" 1
231 1 79 GLU QG 1 80 ALA H 3.150 . 4.500 4.489 4.438 4.555 0.055 13 0 "[ . 1 . 2]" 1
232 1 4 GLU HG2 1 5 MET H 3.640 . 5.480 4.606 3.846 5.144 . 0 0 "[ . 1 . 2]" 1
233 1 4 GLU HG3 1 5 MET H 3.640 . 5.480 4.534 3.859 4.947 . 0 0 "[ . 1 . 2]" 1
234 1 4 GLU HB3 1 5 MET H 2.670 . 3.540 2.931 2.012 3.645 0.105 11 0 "[ . 1 . 2]" 1
235 1 4 GLU HB2 1 5 MET H 2.670 . 3.540 3.034 2.225 3.651 0.111 12 0 "[ . 1 . 2]" 1
236 1 5 MET H 1 5 MET HB3 2.785 . 3.770 3.111 2.893 3.588 . 0 0 "[ . 1 . 2]" 1
237 1 80 ALA H 1 81 LEU HG 3.295 . 4.790 4.664 4.354 5.087 0.297 13 0 "[ . 1 . 2]" 1
238 1 71 GLU H 1 71 GLU HB2 2.685 . 3.570 3.126 2.808 3.883 0.313 10 0 "[ . 1 . 2]" 1
239 1 5 MET H 1 5 MET HB2 2.785 . 3.770 3.739 2.393 3.845 0.075 3 0 "[ . 1 . 2]" 1
240 1 80 ALA H 1 80 ALA MB 2.320 . 2.840 2.289 2.230 2.342 . 0 0 "[ . 1 . 2]" 1
241 1 27 THR MG 1 71 GLU H 3.295 . 4.790 4.704 4.583 4.830 0.040 16 0 "[ . 1 . 2]" 1
242 1 71 GLU H 1 72 VAL MG1 3.085 . 4.370 3.203 3.103 3.350 . 0 0 "[ . 1 . 2]" 1
243 1 71 GLU H 1 72 VAL MG2 3.085 . 4.370 4.226 3.804 4.441 0.071 5 0 "[ . 1 . 2]" 1
244 1 69 VAL HA 1 71 GLU H 3.375 . 4.950 3.629 3.337 3.853 . 0 0 "[ . 1 . 2]" 1
245 1 71 GLU H 1 71 GLU HB3 2.685 . 3.570 3.657 3.237 3.840 0.270 12 0 "[ . 1 . 2]" 1
246 1 70 ARG H 1 71 GLU H 2.595 . 3.390 3.116 2.780 3.284 . 0 0 "[ . 1 . 2]" 1
247 1 63 PHE HA 1 69 VAL H 2.855 . 3.910 3.018 2.458 3.270 . 0 0 "[ . 1 . 2]" 1
248 1 56 ARG HA 1 57 VAL H 2.490 . 3.180 2.432 2.384 2.494 . 0 0 "[ . 1 . 2]" 1
249 1 57 VAL H 1 58 ASN HA 3.630 . 5.460 5.519 5.467 5.537 0.077 19 0 "[ . 1 . 2]" 1
250 1 68 ASP HA 1 69 VAL H 2.595 . 3.390 2.050 1.915 2.195 . 0 0 "[ . 1 . 2]" 1
251 1 67 VAL HA 1 69 VAL H 3.650 . 5.500 5.476 5.386 5.554 0.054 6 0 "[ . 1 . 2]" 1
252 1 68 ASP HB3 1 69 VAL H 3.155 . 4.510 4.258 3.860 4.407 . 0 0 "[ . 1 . 2]" 1
253 1 68 ASP HB2 1 69 VAL H 3.155 . 4.510 3.979 3.700 4.524 0.014 14 0 "[ . 1 . 2]" 1
254 1 57 VAL H 1 57 VAL HB 2.930 . 4.060 2.547 1.951 3.878 . 0 0 "[ . 1 . 2]" 1
255 1 49 ALA MB 1 55 LEU H 3.080 . 4.360 3.746 3.361 3.894 . 0 0 "[ . 1 . 2]" 1
256 1 55 LEU H 1 55 LEU HG 3.325 . 4.850 4.541 4.493 4.613 . 0 0 "[ . 1 . 2]" 1
257 1 55 LEU H 1 55 LEU HB3 2.735 . 3.670 2.377 2.288 2.446 . 0 0 "[ . 1 . 2]" 1
258 1 55 LEU H 1 55 LEU HB2 2.790 . 3.780 2.963 2.497 3.173 . 0 0 "[ . 1 . 2]" 1
259 1 12 LEU QD 1 55 LEU H 3.650 . 5.500 4.590 3.966 4.929 . 0 0 "[ . 1 . 2]" 1
260 1 57 VAL H 1 57 VAL QG 2.535 . 2.730 2.367 2.104 2.565 . 0 0 "[ . 1 . 2]" 1
261 1 10 ILE MG 1 55 LEU H 3.360 . 4.920 4.441 4.071 4.772 . 0 0 "[ . 1 . 2]" 1
262 1 40 ILE MG 1 57 VAL H 3.090 . 4.380 4.047 3.877 4.174 . 0 0 "[ . 1 . 2]" 1
263 1 69 VAL H 1 69 VAL MG1 2.820 . 3.840 3.183 3.002 3.559 . 0 0 "[ . 1 . 2]" 1
264 1 10 ILE MD 1 55 LEU H 2.955 . 4.110 4.214 4.165 4.249 0.139 17 0 "[ . 1 . 2]" 1
265 1 69 VAL H 1 69 VAL MG2 2.820 . 3.840 2.810 2.468 3.403 . 0 0 "[ . 1 . 2]" 1
266 1 55 LEU H 1 55 LEU MD2 2.795 . 3.790 3.915 3.839 3.984 0.194 20 0 "[ . 1 . 2]" 1
267 1 63 PHE QE 1 69 VAL H 3.265 . 4.730 4.621 4.375 4.753 0.023 3 0 "[ . 1 . 2]" 1
268 1 55 LEU H 1 56 ARG H 3.195 . 4.590 4.433 4.378 4.527 . 0 0 "[ . 1 . 2]" 1
269 1 63 PHE HA 1 64 VAL H 2.555 . 3.310 2.241 2.136 2.341 . 0 0 "[ . 1 . 2]" 1
270 1 13 GLU HA 1 87 ILE H 3.375 . 4.950 5.065 4.965 5.144 0.194 2 0 "[ . 1 . 2]" 1
271 1 94 ARG HA 1 95 ARG H 2.585 . 3.370 2.215 2.066 2.427 . 0 0 "[ . 1 . 2]" 1
272 1 58 ASN H 1 59 ASP HA 3.440 . 5.080 5.096 5.082 5.111 0.031 8 0 "[ . 1 . 2]" 1
273 1 47 GLY HA3 1 48 ALA H 2.525 . 3.250 2.532 2.494 2.556 . 0 0 "[ . 1 . 2]" 1
274 1 64 VAL H 1 68 ASP HA 3.075 . 4.350 4.388 4.284 4.499 0.149 12 0 "[ . 1 . 2]" 1
275 1 47 GLY HA2 1 48 ALA H 2.525 . 3.250 2.610 2.587 2.644 . 0 0 "[ . 1 . 2]" 1
276 1 64 VAL H 1 67 VAL HA 3.460 . 5.120 5.060 4.855 5.207 0.087 1 0 "[ . 1 . 2]" 1
277 1 95 ARG H 1 95 ARG QD 3.245 . 4.690 4.324 2.175 4.760 0.070 2 0 "[ . 1 . 2]" 1
278 1 63 PHE HB3 1 64 VAL H 2.645 . 3.490 3.316 3.231 3.452 . 0 0 "[ . 1 . 2]" 1
279 1 64 VAL H 1 67 VAL HB 3.610 . 5.420 5.196 3.653 5.434 0.014 13 0 "[ . 1 . 2]" 1
280 1 64 VAL H 1 69 VAL HB 3.650 . 5.500 4.719 2.792 5.574 0.074 6 0 "[ . 1 . 2]" 1
281 1 40 ILE HB 1 58 ASN H 3.380 . 4.960 4.737 4.644 4.805 . 0 0 "[ . 1 . 2]" 1
282 1 64 VAL H 1 64 VAL HB 2.680 . 3.560 3.307 2.594 3.866 0.306 12 0 "[ . 1 . 2]" 1
283 1 57 VAL HB 1 58 ASN H 2.990 . 4.180 3.849 3.803 3.898 . 0 0 "[ . 1 . 2]" 1
284 1 87 ILE H 1 87 ILE HB 2.395 . 2.990 2.979 2.800 3.044 0.054 17 0 "[ . 1 . 2]" 1
285 1 48 ALA H 1 48 ALA MB 2.380 . 2.960 2.320 2.296 2.360 . 0 0 "[ . 1 . 2]" 1
286 1 64 VAL H 1 80 ALA MB 3.650 . 5.500 4.969 4.501 5.244 . 0 0 "[ . 1 . 2]" 1
287 1 87 ILE H 1 87 ILE HG12 2.650 . 3.500 3.188 2.996 3.331 . 0 0 "[ . 1 . 2]" 1
288 1 64 VAL H 1 64 VAL MG1 2.965 . 4.130 3.644 3.005 4.213 0.083 2 0 "[ . 1 . 2]" 1
289 1 43 ILE MD 1 58 ASN H 3.650 . 5.500 5.272 5.140 5.354 . 0 0 "[ . 1 . 2]" 1
290 1 64 VAL H 1 69 VAL MG2 2.835 . 3.870 3.230 2.445 3.812 . 0 0 "[ . 1 . 2]" 1
291 1 48 ALA H 1 52 ASP H 3.650 . 5.500 5.604 5.544 5.638 0.138 13 0 "[ . 1 . 2]" 1
292 1 47 GLY H 1 48 ALA H 3.285 . 4.770 4.554 4.527 4.582 . 0 0 "[ . 1 . 2]" 1
293 1 63 PHE H 1 64 VAL H 3.155 . 4.510 4.505 4.376 4.568 0.058 6 0 "[ . 1 . 2]" 1
294 1 64 VAL H 1 68 ASP H 3.560 . 5.320 5.285 5.168 5.360 0.040 7 0 "[ . 1 . 2]" 1
295 1 57 VAL H 1 58 ASN H 3.150 . 4.500 2.849 2.743 2.881 . 0 0 "[ . 1 . 2]" 1
296 1 64 VAL H 1 69 VAL H 2.950 . 4.100 3.753 3.396 4.019 . 0 0 "[ . 1 . 2]" 1
297 1 58 ASN H 1 60 SER H 3.445 . 5.090 5.106 5.014 5.151 0.061 16 0 "[ . 1 . 2]" 1
298 1 91 TYR HA 1 92 VAL H 2.540 . 3.280 2.012 1.985 2.040 . 0 0 "[ . 1 . 2]" 1
299 1 9 GLU HA 1 92 VAL H 2.835 . 3.870 3.610 3.542 3.741 . 0 0 "[ . 1 . 2]" 1
300 1 6 GLU HA 1 7 TYR H 2.450 . 3.100 2.075 2.002 2.137 . 0 0 "[ . 1 . 2]" 1
301 1 91 TYR HB3 1 92 VAL H 3.115 . 4.430 4.288 4.252 4.321 . 0 0 "[ . 1 . 2]" 1
302 1 91 TYR HB2 1 92 VAL H 3.170 . 4.540 4.530 4.493 4.548 0.008 5 0 "[ . 1 . 2]" 1
303 1 7 TYR H 1 7 TYR HB3 2.795 . 3.790 3.789 3.760 3.807 0.017 6 0 "[ . 1 . 2]" 1
304 1 7 TYR H 1 7 TYR HB2 2.795 . 3.790 2.682 2.645 2.711 . 0 0 "[ . 1 . 2]" 1
305 1 92 VAL H 1 92 VAL HB 2.880 . 3.960 3.933 3.911 3.948 . 0 0 "[ . 1 . 2]" 1
306 1 6 GLU HB2 1 7 TYR H 3.130 . 4.460 3.529 3.264 4.392 . 0 0 "[ . 1 . 2]" 1
307 1 6 GLU HB3 1 7 TYR H 3.130 . 4.460 3.990 3.327 4.162 . 0 0 "[ . 1 . 2]" 1
308 1 8 GLU HB3 1 92 VAL H 3.050 . 4.300 4.314 4.269 4.376 0.076 9 0 "[ . 1 . 2]" 1
309 1 10 ILE HB 1 92 VAL H 3.650 . 5.500 5.614 5.565 5.680 0.180 15 0 "[ . 1 . 2]" 1
310 1 64 VAL H 1 69 VAL MG1 2.835 . 3.870 3.384 3.040 3.904 0.034 12 0 "[ . 1 . 2]" 1
311 1 92 VAL H 1 92 VAL MG1 2.885 . 3.970 2.890 2.793 2.968 . 0 0 "[ . 1 . 2]" 1
312 1 8 GLU H 1 92 VAL H 2.865 . 3.930 3.756 3.704 3.835 . 0 0 "[ . 1 . 2]" 1
313 1 22 SER HB2 1 42 LYS H 3.370 . 4.940 3.868 3.734 4.025 . 0 0 "[ . 1 . 2]" 1
314 1 5 MET HG3 1 6 GLU H 3.000 . 4.200 3.984 3.704 4.461 0.261 6 0 "[ . 1 . 2]" 1
315 1 5 MET HG2 1 6 GLU H 3.215 . 4.630 4.760 4.676 4.838 0.208 5 0 "[ . 1 . 2]" 1
316 1 40 ILE HB 1 42 LYS H 3.520 . 5.240 5.011 4.944 5.137 . 0 0 "[ . 1 . 2]" 1
317 1 42 LYS H 1 42 LYS HB3 2.780 . 3.760 2.921 2.606 3.073 . 0 0 "[ . 1 . 2]" 1
318 1 42 LYS H 1 42 LYS HB2 2.780 . 3.760 3.013 2.836 3.288 . 0 0 "[ . 1 . 2]" 1
319 1 6 GLU H 1 96 LYS QG 3.500 . 5.200 4.619 3.367 5.285 0.085 5 0 "[ . 1 . 2]" 1
320 1 42 LYS H 1 42 LYS QD 3.260 . 4.720 4.738 4.696 4.763 0.043 10 0 "[ . 1 . 2]" 1
321 1 42 LYS H 1 42 LYS HG2 3.650 . 5.500 4.819 4.664 5.103 . 0 0 "[ . 1 . 2]" 1
322 1 42 LYS H 1 42 LYS HG3 3.650 . 5.500 4.893 4.595 5.078 . 0 0 "[ . 1 . 2]" 1
323 1 40 ILE MG 1 42 LYS H 2.490 . 3.180 2.949 2.888 3.021 . 0 0 "[ . 1 . 2]" 1
324 1 42 LYS H 1 43 ILE MD 3.100 . 4.400 4.458 4.425 4.479 0.079 13 0 "[ . 1 . 2]" 1
325 1 21 PHE QD 1 42 LYS H 3.650 . 5.500 5.565 5.526 5.636 0.136 8 0 "[ . 1 . 2]" 1
326 1 23 ILE HA 1 42 LYS H 3.365 . 4.930 4.738 4.630 4.834 . 0 0 "[ . 1 . 2]" 1
327 1 21 PHE HA 1 42 LYS H 3.650 . 5.500 5.502 5.323 5.559 0.059 16 0 "[ . 1 . 2]" 1
328 1 41 THR HB 1 42 LYS H 3.240 . 4.680 4.044 3.074 4.726 0.046 4 0 "[ . 1 . 2]" 1
329 1 6 GLU H 1 93 MET HA 3.650 . 5.500 5.582 5.435 5.650 0.150 15 0 "[ . 1 . 2]" 1
330 1 5 MET HA 1 6 GLU H 2.490 . 3.180 2.461 2.098 2.676 . 0 0 "[ . 1 . 2]" 1
331 1 5 MET H 1 6 GLU H 3.280 . 4.760 4.674 4.560 4.776 0.016 4 0 "[ . 1 . 2]" 1
332 1 6 GLU H 1 7 TYR H 3.220 . 4.640 4.395 4.242 4.459 . 0 0 "[ . 1 . 2]" 1
333 1 81 LEU HB2 1 82 LYS H 2.455 . 3.110 3.090 2.831 3.187 0.077 10 0 "[ . 1 . 2]" 1
334 1 40 ILE MD 1 42 LYS H 3.590 . 5.380 5.521 5.479 5.561 0.181 20 0 "[ . 1 . 2]" 1
335 1 80 ALA H 1 82 LYS H 3.265 . 4.730 4.222 3.946 4.354 . 0 0 "[ . 1 . 2]" 1
336 1 82 LYS H 1 84 ALA H 3.285 . 4.770 4.442 4.188 4.744 . 0 0 "[ . 1 . 2]" 1
337 1 79 GLU H 1 82 LYS H 3.415 . 5.030 4.779 4.686 4.896 . 0 0 "[ . 1 . 2]" 1
338 1 22 SER HB3 1 42 LYS H 3.370 . 4.940 5.110 5.073 5.156 0.216 1 0 "[ . 1 . 2]" 1
339 1 82 LYS H 1 82 LYS HB2 2.420 . 3.040 2.410 2.292 2.633 . 0 0 "[ . 1 . 2]" 1
340 1 8 GLU H 1 8 GLU HB2 2.695 . 3.590 3.010 2.723 3.199 . 0 0 "[ . 1 . 2]" 1
341 1 8 GLU H 1 8 GLU HB3 2.800 . 3.800 3.268 3.035 3.738 . 0 0 "[ . 1 . 2]" 1
342 1 12 LEU HB3 1 13 GLU H 2.645 . 3.490 3.027 2.530 3.504 0.014 20 0 "[ . 1 . 2]" 1
343 1 12 LEU QD 1 13 GLU H 2.745 . 3.690 3.250 2.403 3.590 . 0 0 "[ . 1 . 2]" 1
344 1 8 GLU H 1 92 VAL MG2 2.555 . 3.310 3.082 3.046 3.126 . 0 0 "[ . 1 . 2]" 1
345 1 8 GLU H 1 10 ILE MD 3.650 . 5.500 5.537 5.415 5.606 0.106 8 0 "[ . 1 . 2]" 1
346 1 12 LEU HA 1 13 GLU H 2.495 . 3.190 2.292 2.189 2.535 . 0 0 "[ . 1 . 2]" 1
347 1 73 THR HB 1 74 HIS H 2.870 . 3.940 2.523 2.442 2.615 . 0 0 "[ . 1 . 2]" 1
348 1 74 HIS H 1 74 HIS HB3 2.830 . 3.860 2.729 2.560 2.829 . 0 0 "[ . 1 . 2]" 1
349 1 74 HIS H 1 74 HIS HB2 2.830 . 3.860 3.353 2.353 3.904 0.044 12 0 "[ . 1 . 2]" 1
350 1 74 HIS H 1 76 ALA MB 3.260 . 4.720 4.778 4.730 4.872 0.152 16 0 "[ . 1 . 2]" 1
351 1 73 THR MG 1 74 HIS H 2.670 . 3.540 3.272 3.184 3.358 . 0 0 "[ . 1 . 2]" 1
352 1 38 ILE MD 1 74 HIS H 3.650 . 5.500 5.177 4.779 5.356 . 0 0 "[ . 1 . 2]" 1
353 1 74 HIS H 1 75 SER H 2.865 . 3.930 3.117 2.975 3.274 . 0 0 "[ . 1 . 2]" 1
354 1 27 THR H 1 74 HIS H 3.055 . 4.310 4.012 3.749 4.191 . 0 0 "[ . 1 . 2]" 1
355 1 28 ASP H 1 74 HIS H 3.290 . 4.780 4.877 4.710 5.002 0.222 2 0 "[ . 1 . 2]" 1
356 1 73 THR H 1 74 HIS H 3.425 . 5.050 4.790 4.751 4.826 . 0 0 "[ . 1 . 2]" 1
357 1 74 HIS H 1 77 ALA H 3.645 . 5.490 5.190 5.081 5.380 . 0 0 "[ . 1 . 2]" 1
358 1 74 HIS H 1 76 ALA H 3.435 . 5.070 4.386 4.285 4.472 . 0 0 "[ . 1 . 2]" 1
359 1 26 GLY H 1 74 HIS H 3.535 . 5.270 5.112 4.629 5.319 0.049 19 0 "[ . 1 . 2]" 1
360 1 56 ARG H 1 56 ARG HD2 3.480 . 5.160 4.558 4.426 5.170 0.010 15 0 "[ . 1 . 2]" 1
361 1 56 ARG H 1 56 ARG HD3 3.480 . 5.160 5.179 4.689 5.215 0.055 7 0 "[ . 1 . 2]" 1
362 1 7 TYR HB3 1 8 GLU H 2.850 . 3.900 2.876 2.846 2.903 . 0 0 "[ . 1 . 2]" 1
363 1 7 TYR HB2 1 8 GLU H 2.850 . 3.900 3.982 3.955 4.006 0.106 14 0 "[ . 1 . 2]" 1
364 1 3 MET HG2 1 4 GLU H 3.155 . 4.510 4.274 3.665 4.616 0.106 11 0 "[ . 1 . 2]" 1
365 1 3 MET HG3 1 4 GLU H 3.155 . 4.510 4.295 3.454 4.685 0.175 7 0 "[ . 1 . 2]" 1
366 1 55 LEU HG 1 56 ARG H 2.705 . 3.610 3.179 3.038 3.272 . 0 0 "[ . 1 . 2]" 1
367 1 2 ALA MB 1 4 GLU H 3.650 . 5.500 5.211 3.042 5.644 0.144 11 0 "[ . 1 . 2]" 1
368 1 4 GLU H 1 96 LYS QG 3.650 . 5.500 5.067 3.087 5.573 0.073 16 0 "[ . 1 . 2]" 1
369 1 55 LEU HB3 1 56 ARG H 3.155 . 4.510 4.423 4.341 4.498 . 0 0 "[ . 1 . 2]" 1
370 1 55 LEU HB2 1 56 ARG H 2.935 . 4.070 4.129 4.084 4.143 0.073 9 0 "[ . 1 . 2]" 1
371 1 92 VAL MG2 1 94 ARG H 3.430 . 5.060 4.805 4.483 5.005 . 0 0 "[ . 1 . 2]" 1
372 1 56 ARG H 1 92 VAL MG1 3.650 . 5.500 5.218 4.941 5.487 . 0 0 "[ . 1 . 2]" 1
373 1 56 ARG H 1 92 VAL MG2 3.650 . 5.500 5.246 5.041 5.541 0.041 4 0 "[ . 1 . 2]" 1
374 1 7 TYR HA 1 8 GLU H 2.500 . 3.200 2.258 2.201 2.330 . 0 0 "[ . 1 . 2]" 1
375 1 8 GLU H 1 93 MET HA 2.900 . 4.000 3.953 3.832 4.019 0.019 5 0 "[ . 1 . 2]" 1
376 1 3 MET HA 1 4 GLU H 2.315 . 2.830 2.243 1.707 3.059 0.229 9 0 "[ . 1 . 2]" 1
377 1 55 LEU HA 1 56 ARG H 2.620 . 3.440 2.088 2.019 2.126 . 0 0 "[ . 1 . 2]" 1
378 1 56 ARG H 1 59 ASP H 3.375 . 4.950 4.279 3.630 4.461 . 0 0 "[ . 1 . 2]" 1
379 1 7 TYR H 1 8 GLU H 3.280 . 4.760 4.661 4.613 4.747 . 0 0 "[ . 1 . 2]" 1
380 1 56 ARG H 1 57 VAL H 3.185 . 4.570 4.623 4.613 4.633 0.063 17 0 "[ . 1 . 2]" 1
381 1 69 VAL HB 1 70 ARG H 3.320 . 4.840 4.211 3.703 4.473 . 0 0 "[ . 1 . 2]" 1
382 1 70 ARG H 1 70 ARG HB3 2.750 . 3.700 3.246 2.779 3.770 0.070 3 0 "[ . 1 . 2]" 1
383 1 93 MET HB2 1 94 ARG H 2.765 . 3.730 3.551 3.367 3.682 . 0 0 "[ . 1 . 2]" 1
384 1 40 ILE HG12 1 59 ASP H 3.025 . 4.250 3.795 3.677 4.026 . 0 0 "[ . 1 . 2]" 1
385 1 7 TYR HA 1 94 ARG H 2.990 . 4.180 3.299 3.054 3.516 . 0 0 "[ . 1 . 2]" 1
386 1 93 MET HA 1 94 ARG H 2.635 . 3.470 2.091 2.027 2.182 . 0 0 "[ . 1 . 2]" 1
387 1 7 TYR QD 1 94 ARG H 3.330 . 4.860 4.847 4.739 4.935 0.075 1 0 "[ . 1 . 2]" 1
388 1 8 GLU H 1 94 ARG H 3.550 . 5.300 4.733 4.406 4.978 . 0 0 "[ . 1 . 2]" 1
389 1 94 ARG H 1 95 ARG H 3.050 . 4.300 4.421 4.320 4.469 0.169 4 0 "[ . 1 . 2]" 1
390 1 93 MET H 1 94 ARG H 3.185 . 4.570 4.415 4.265 4.571 0.001 2 0 "[ . 1 . 2]" 1
391 1 59 ASP H 1 59 ASP HB2 2.705 . 3.610 2.418 2.387 2.442 . 0 0 "[ . 1 . 2]" 1
392 1 30 PRO HB2 1 31 HIS H 3.060 . 4.320 3.241 3.045 3.492 . 0 0 "[ . 1 . 2]" 1
393 1 56 ARG HB3 1 59 ASP H 3.185 . 4.570 4.549 4.442 4.828 0.258 15 0 "[ . 1 . 2]" 1
394 1 70 ARG H 1 70 ARG HB2 2.750 . 3.700 3.067 2.357 3.786 0.086 11 0 "[ . 1 . 2]" 1
395 1 56 ARG HB2 1 59 ASP H 3.185 . 4.570 4.292 4.170 4.435 . 0 0 "[ . 1 . 2]" 1
396 1 55 LEU HG 1 59 ASP H 3.335 . 4.870 4.908 4.636 4.971 0.101 18 0 "[ . 1 . 2]" 1
397 1 62 LEU HB2 1 70 ARG H 3.650 . 5.500 5.633 5.561 5.717 0.217 10 0 "[ . 1 . 2]" 1
398 1 40 ILE HG13 1 59 ASP H 3.025 . 4.250 3.463 3.427 3.523 . 0 0 "[ . 1 . 2]" 1
399 1 70 ARG H 1 72 VAL MG1 3.505 . 5.210 4.335 4.241 4.414 . 0 0 "[ . 1 . 2]" 1
400 1 70 ARG H 1 72 VAL MG2 3.505 . 5.210 4.892 4.688 5.108 . 0 0 "[ . 1 . 2]" 1
401 1 69 VAL MG1 1 70 ARG H 3.190 . 4.580 4.303 3.606 4.571 . 0 0 "[ . 1 . 2]" 1
402 1 55 LEU MD1 1 59 ASP H 3.320 . 4.840 4.651 4.372 4.890 0.050 13 0 "[ . 1 . 2]" 1
403 1 69 VAL MG2 1 70 ARG H 3.190 . 4.580 3.816 3.304 4.536 . 0 0 "[ . 1 . 2]" 1
404 1 40 ILE MD 1 59 ASP H 3.190 . 4.580 4.708 4.661 4.776 0.196 15 0 "[ . 1 . 2]" 1
405 1 59 ASP H 1 60 SER HA 3.445 . 5.090 4.868 4.793 5.092 0.002 15 0 "[ . 1 . 2]" 1
406 1 68 ASP HA 1 70 ARG H 2.915 . 4.030 3.502 3.207 3.713 . 0 0 "[ . 1 . 2]" 1
407 1 31 HIS H 1 32 ILE H 3.090 . 4.380 2.308 2.107 2.597 . 0 0 "[ . 1 . 2]" 1
408 1 63 PHE QE 1 70 ARG H 3.410 . 5.020 5.102 5.021 5.191 0.171 10 0 "[ . 1 . 2]" 1
409 1 23 ILE HA 1 24 ALA H 2.590 . 3.380 2.017 1.968 2.180 . 0 0 "[ . 1 . 2]" 1
410 1 24 ALA H 1 40 ILE HA 3.170 . 4.540 3.677 3.553 3.825 . 0 0 "[ . 1 . 2]" 1
411 1 23 ILE HB 1 24 ALA H 2.730 . 3.660 2.918 2.805 3.021 . 0 0 "[ . 1 . 2]" 1
412 1 24 ALA H 1 24 ALA MB 2.655 . 3.510 2.485 2.403 2.615 . 0 0 "[ . 1 . 2]" 1
413 1 24 ALA MB 1 31 HIS H 3.650 . 5.500 5.480 5.276 5.705 0.205 12 0 "[ . 1 . 2]" 1
414 1 24 ALA H 1 40 ILE MD 3.435 . 5.070 4.881 4.712 5.045 . 0 0 "[ . 1 . 2]" 1
415 1 57 VAL HA 1 59 ASP H 2.770 . 3.740 3.788 3.764 3.838 0.098 15 0 "[ . 1 . 2]" 1
416 1 77 ALA H 1 78 VAL HA 3.625 . 5.450 5.222 5.139 5.288 . 0 0 "[ . 1 . 2]" 1
417 1 59 ASP H 1 59 ASP HB3 2.705 . 3.610 3.653 3.619 3.678 0.068 19 0 "[ . 1 . 2]" 1
418 1 72 VAL HB 1 77 ALA H 3.325 . 4.850 4.696 4.452 4.903 0.053 10 0 "[ . 1 . 2]" 1
419 1 76 ALA MB 1 77 ALA H 2.685 . 3.570 3.026 2.999 3.071 . 0 0 "[ . 1 . 2]" 1
420 1 77 ALA H 1 77 ALA MB 2.390 . 2.980 2.326 2.286 2.387 . 0 0 "[ . 1 . 2]" 1
421 1 24 ALA H 1 39 PHE H 2.975 . 4.150 3.801 3.706 3.929 . 0 0 "[ . 1 . 2]" 1
422 1 37 SER HB3 1 38 ILE H 3.145 . 4.490 3.593 2.777 4.109 . 0 0 "[ . 1 . 2]" 1
423 1 37 SER HB2 1 38 ILE H 3.145 . 4.490 3.477 2.608 4.264 . 0 0 "[ . 1 . 2]" 1
424 1 38 ILE H 1 38 ILE HB 2.950 . 4.100 3.031 2.793 3.103 . 0 0 "[ . 1 . 2]" 1
425 1 38 ILE H 1 38 ILE HG12 3.040 . 4.280 3.253 2.672 3.846 . 0 0 "[ . 1 . 2]" 1
426 1 38 ILE H 1 38 ILE HG13 3.040 . 4.280 4.291 4.176 4.337 0.057 12 0 "[ . 1 . 2]" 1
427 1 38 ILE H 1 38 ILE MG 2.960 . 4.120 4.083 3.970 4.108 . 0 0 "[ . 1 . 2]" 1
428 1 38 ILE H 1 38 ILE MD 3.160 . 4.520 2.800 2.539 3.131 . 0 0 "[ . 1 . 2]" 1
429 1 35 ASP H 1 35 ASP HB2 2.635 . 3.470 2.679 2.143 3.672 0.202 8 0 "[ . 1 . 2]" 1
430 1 77 ALA H 1 79 GLU QG 3.650 . 5.500 5.574 5.534 5.624 0.124 3 0 "[ . 1 . 2]" 1
431 1 30 PRO HB2 1 35 ASP H 3.265 . 4.730 4.617 4.013 4.879 0.149 6 0 "[ . 1 . 2]" 1
432 1 30 PRO HB3 1 35 ASP H 3.170 . 4.540 3.286 2.543 3.890 . 0 0 "[ . 1 . 2]" 1
433 1 40 ILE MD 1 61 ILE H 3.410 . 5.020 2.832 2.669 3.069 . 0 0 "[ . 1 . 2]" 1
434 1 30 PRO HA 1 35 ASP H 3.060 . 4.320 3.261 2.500 4.348 0.028 19 0 "[ . 1 . 2]" 1
435 1 35 ASP H 1 35 ASP HB3 2.635 . 3.470 3.060 2.267 3.605 0.135 19 0 "[ . 1 . 2]" 1
436 1 60 SER HB2 1 61 ILE H 3.550 . 5.300 4.391 4.334 4.431 . 0 0 "[ . 1 . 2]" 1
437 1 60 SER HB3 1 61 ILE H 3.550 . 5.300 3.687 3.285 4.406 . 0 0 "[ . 1 . 2]" 1
438 1 32 ILE H 1 35 ASP H 3.415 . 5.030 3.723 3.095 4.478 . 0 0 "[ . 1 . 2]" 1
439 1 37 SER H 1 38 ILE H 3.430 . 5.060 4.792 4.727 4.825 . 0 0 "[ . 1 . 2]" 1
440 1 38 ILE H 1 39 PHE H 3.580 . 5.360 4.564 4.445 4.682 . 0 0 "[ . 1 . 2]" 1
441 1 24 ALA H 1 41 THR H 3.240 . 4.680 4.671 4.581 4.733 0.053 18 0 "[ . 1 . 2]" 1
442 1 10 ILE HB 1 11 THR H 3.040 . 4.280 4.204 4.038 4.299 0.019 14 0 "[ . 1 . 2]" 1
443 1 10 ILE HG12 1 11 THR H 3.285 . 4.770 4.778 4.705 4.823 0.053 5 0 "[ . 1 . 2]" 1
444 1 11 THR H 1 11 THR MG 2.945 . 4.090 3.918 3.642 4.108 0.018 15 0 "[ . 1 . 2]" 1
445 1 10 ILE MG 1 11 THR H 2.530 . 3.260 2.709 2.504 2.867 . 0 0 "[ . 1 . 2]" 1
446 1 10 ILE HA 1 11 THR H 2.475 . 3.150 2.267 2.176 2.368 . 0 0 "[ . 1 . 2]" 1
447 1 64 VAL HA 1 67 VAL H 3.080 . 4.360 4.371 4.013 4.602 0.242 14 0 "[ . 1 . 2]" 1
448 1 67 VAL H 1 67 VAL HB 2.695 . 3.590 3.567 2.262 3.799 0.209 17 0 "[ . 1 . 2]" 1
449 1 64 VAL HB 1 67 VAL H 3.470 . 5.140 5.134 4.964 5.339 0.199 3 0 "[ . 1 . 2]" 1
450 1 67 VAL H 1 80 ALA MB 3.615 . 5.430 5.228 4.509 5.495 0.065 14 0 "[ . 1 . 2]" 1
451 1 67 VAL H 1 67 VAL QG 2.865 . 3.100 2.513 2.406 2.895 . 0 0 "[ . 1 . 2]" 1
452 1 30 PRO HB2 1 34 ASP H 3.160 . 4.520 3.921 2.832 4.667 0.147 17 0 "[ . 1 . 2]" 1
453 1 30 PRO HB3 1 34 ASP H 3.360 . 4.920 2.874 1.602 4.052 . 0 0 "[ . 1 . 2]" 1
454 1 38 ILE MG 1 39 PHE H 2.760 . 3.720 3.005 2.800 3.253 . 0 0 "[ . 1 . 2]" 1
455 1 32 ILE MG 1 34 ASP H 3.490 . 5.180 4.539 2.907 5.505 0.325 2 0 "[ . 1 . 2]" 1
456 1 64 VAL H 1 67 VAL H 2.705 . 3.610 3.520 3.155 3.680 0.070 6 0 "[ . 1 . 2]" 1
457 1 67 VAL H 1 68 ASP H 3.180 . 4.560 4.516 4.444 4.574 0.014 1 0 "[ . 1 . 2]" 1
458 1 23 ILE HA 1 39 PHE H 3.585 . 5.370 5.432 5.407 5.456 0.086 7 0 "[ . 1 . 2]" 1
459 1 72 VAL HB 1 76 ALA H 3.550 . 5.300 4.707 4.201 5.055 . 0 0 "[ . 1 . 2]" 1
460 1 12 LEU H 1 12 LEU HB2 2.540 . 3.280 2.624 2.497 2.748 . 0 0 "[ . 1 . 2]" 1
461 1 76 ALA H 1 76 ALA MB 2.330 . 2.860 2.177 2.085 2.236 . 0 0 "[ . 1 . 2]" 1
462 1 73 THR MG 1 76 ALA H 3.360 . 4.920 4.732 4.679 4.766 . 0 0 "[ . 1 . 2]" 1
463 1 12 LEU H 1 12 LEU HB3 2.825 . 3.850 3.710 3.260 3.849 . 0 0 "[ . 1 . 2]" 1
464 1 24 ALA MB 1 39 PHE H 3.200 . 4.600 3.781 3.462 4.118 . 0 0 "[ . 1 . 2]" 1
465 1 11 THR MG 1 12 LEU H 2.480 . 3.160 3.052 2.824 3.174 0.014 4 0 "[ . 1 . 2]" 1
466 1 38 ILE MD 1 39 PHE H 3.435 . 5.070 4.814 4.734 5.089 0.019 12 0 "[ . 1 . 2]" 1
467 1 11 THR HA 1 12 LEU H 2.505 . 3.210 2.073 2.024 2.125 . 0 0 "[ . 1 . 2]" 1
468 1 73 THR HB 1 76 ALA H 3.400 . 5.000 3.500 3.353 3.615 . 0 0 "[ . 1 . 2]" 1
469 1 11 THR HB 1 12 LEU H 3.105 . 4.410 3.842 3.342 4.245 . 0 0 "[ . 1 . 2]" 1
470 1 75 SER QB 1 76 ALA H 2.680 . 3.560 3.178 2.896 3.678 0.118 5 0 "[ . 1 . 2]" 1
471 1 11 THR H 1 12 LEU H 3.170 . 4.540 4.395 4.280 4.501 . 0 0 "[ . 1 . 2]" 1
472 1 12 LEU H 1 13 GLU H 3.215 . 4.630 4.569 4.486 4.644 0.014 5 0 "[ . 1 . 2]" 1
473 1 12 LEU H 1 89 ARG H 3.455 . 5.110 5.041 4.811 5.173 0.063 4 0 "[ . 1 . 2]" 1
474 1 96 LYS H 1 96 LYS HB3 2.755 . 3.710 3.238 2.840 3.761 0.051 20 0 "[ . 1 . 2]" 1
475 1 96 LYS H 1 96 LYS HB2 2.755 . 3.710 3.253 2.465 3.789 0.079 5 0 "[ . 1 . 2]" 1
476 1 96 LYS H 1 96 LYS QG 2.610 . 3.420 2.503 2.170 2.994 . 0 0 "[ . 1 . 2]" 1
477 1 5 MET HA 1 96 LYS H 2.695 . 3.590 3.105 2.833 3.353 . 0 0 "[ . 1 . 2]" 1
478 1 95 ARG HA 1 96 LYS H 2.565 . 3.330 2.209 2.092 2.368 . 0 0 "[ . 1 . 2]" 1
479 1 95 ARG QD 1 96 LYS H 3.155 . 4.510 4.436 3.015 4.671 0.161 16 0 "[ . 1 . 2]" 1
480 1 5 MET H 1 96 LYS H 3.650 . 5.500 5.455 5.124 5.555 0.055 6 0 "[ . 1 . 2]" 1
481 1 9 GLU H 1 9 GLU HB3 2.485 . 3.170 3.226 3.213 3.241 0.071 2 0 "[ . 1 . 2]" 1
482 1 8 GLU HB2 1 9 GLU H 3.285 . 4.770 4.467 4.432 4.510 . 0 0 "[ . 1 . 2]" 1
483 1 8 GLU HB3 1 9 GLU H 3.410 . 5.020 3.958 3.434 4.277 . 0 0 "[ . 1 . 2]" 1
484 1 90 LEU HB2 1 91 TYR H 3.050 . 4.300 3.057 2.936 3.159 . 0 0 "[ . 1 . 2]" 1
485 1 61 ILE MD 1 91 TYR H 3.310 . 4.820 4.860 4.826 4.885 0.065 15 0 "[ . 1 . 2]" 1
486 1 9 GLU H 1 10 ILE HG13 3.140 . 4.480 4.418 4.184 4.511 0.031 8 0 "[ . 1 . 2]" 1
487 1 61 ILE MG 1 91 TYR H 2.660 . 3.520 2.388 2.226 2.756 . 0 0 "[ . 1 . 2]" 1
488 1 9 GLU H 1 10 ILE MD 3.575 . 5.350 5.173 4.974 5.306 . 0 0 "[ . 1 . 2]" 1
489 1 63 PHE HA 1 91 TYR H 3.650 . 5.500 5.155 5.095 5.209 . 0 0 "[ . 1 . 2]" 1
490 1 91 TYR H 1 92 VAL HA 3.650 . 5.500 5.081 5.049 5.118 . 0 0 "[ . 1 . 2]" 1
491 1 9 GLU H 1 91 TYR HA 3.580 . 5.360 5.201 5.143 5.268 . 0 0 "[ . 1 . 2]" 1
492 1 90 LEU HA 1 91 TYR H 2.560 . 3.320 2.169 2.099 2.218 . 0 0 "[ . 1 . 2]" 1
493 1 8 GLU HA 1 9 GLU H 2.410 . 3.020 2.185 2.117 2.242 . 0 0 "[ . 1 . 2]" 1
494 1 91 TYR H 1 91 TYR HB3 2.855 . 3.910 2.894 2.860 2.915 . 0 0 "[ . 1 . 2]" 1
495 1 91 TYR H 1 91 TYR HB2 2.775 . 3.750 2.971 2.942 3.006 . 0 0 "[ . 1 . 2]" 1
496 1 63 PHE HB2 1 91 TYR H 3.335 . 4.870 4.483 4.390 4.581 . 0 0 "[ . 1 . 2]" 1
497 1 63 PHE HB3 1 91 TYR H 3.550 . 5.300 5.080 4.961 5.206 . 0 0 "[ . 1 . 2]" 1
498 1 91 TYR H 1 91 TYR QD 3.175 . 4.550 4.564 4.549 4.573 0.023 20 0 "[ . 1 . 2]" 1
499 1 9 GLU H 1 91 TYR QD 3.295 . 4.790 4.019 3.915 4.115 . 0 0 "[ . 1 . 2]" 1
500 1 95 ARG H 1 96 LYS H 3.210 . 4.620 4.669 4.634 4.702 0.082 1 0 "[ . 1 . 2]" 1
501 1 64 VAL H 1 65 ASN H 3.185 . 4.570 4.527 4.459 4.595 0.025 3 0 "[ . 1 . 2]" 1
502 1 65 ASN H 1 91 TYR H 3.380 . 4.960 4.979 4.922 5.012 0.052 14 0 "[ . 1 . 2]" 1
503 1 64 VAL HB 1 65 ASN H 3.050 . 4.300 3.558 2.543 4.342 0.042 8 0 "[ . 1 . 2]" 1
504 1 64 VAL MG2 1 65 ASN H 3.120 . 4.440 3.843 2.893 4.443 0.003 13 0 "[ . 1 . 2]" 1
505 1 13 GLU HG2 1 14 ARG H 3.460 . 5.120 4.724 3.156 5.239 0.119 17 0 "[ . 1 . 2]" 1
506 1 13 GLU HG3 1 14 ARG H 3.460 . 5.120 4.939 3.766 5.221 0.101 2 0 "[ . 1 . 2]" 1
507 1 90 LEU HB3 1 91 TYR H 3.050 . 4.300 3.983 3.923 4.060 . 0 0 "[ . 1 . 2]" 1
508 1 43 ILE H 1 43 ILE HB 2.535 . 3.270 2.780 2.733 2.886 . 0 0 "[ . 1 . 2]" 1
509 1 42 LYS QD 1 43 ILE H 2.575 . 3.350 3.041 2.578 3.372 0.022 15 0 "[ . 1 . 2]" 1
510 1 14 ARG H 1 87 ILE MD 2.890 . 3.980 3.938 3.760 4.013 0.033 19 0 "[ . 1 . 2]" 1
511 1 40 ILE MG 1 43 ILE H 3.530 . 5.260 4.789 4.704 4.850 . 0 0 "[ . 1 . 2]" 1
512 1 43 ILE H 1 44 ILE MD 3.650 . 5.500 4.472 4.126 4.684 . 0 0 "[ . 1 . 2]" 1
513 1 43 ILE H 1 43 ILE MD 3.025 . 4.250 4.082 4.010 4.119 . 0 0 "[ . 1 . 2]" 1
514 1 13 GLU HA 1 14 ARG H 2.475 . 3.150 2.181 2.117 2.331 . 0 0 "[ . 1 . 2]" 1
515 1 14 ARG H 1 87 ILE HA 3.055 . 4.310 3.568 3.290 3.771 . 0 0 "[ . 1 . 2]" 1
516 1 42 LYS HA 1 43 ILE H 2.405 . 3.010 2.121 2.050 2.171 . 0 0 "[ . 1 . 2]" 1
517 1 14 ARG H 1 86 SER HA 2.890 . 3.980 3.352 3.220 3.563 . 0 0 "[ . 1 . 2]" 1
518 1 14 ARG H 1 86 SER HB2 3.650 . 5.500 5.338 4.617 5.581 0.081 13 0 "[ . 1 . 2]" 1
519 1 14 ARG H 1 86 SER HB3 3.650 . 5.500 5.265 4.588 5.564 0.064 14 0 "[ . 1 . 2]" 1
520 1 43 ILE H 1 44 ILE H 3.255 . 4.710 4.333 4.206 4.414 . 0 0 "[ . 1 . 2]" 1
521 1 14 ARG H 1 15 GLY H 3.110 . 4.420 4.504 4.437 4.552 0.132 3 0 "[ . 1 . 2]" 1
522 1 42 LYS H 1 43 ILE H 3.235 . 4.670 4.345 4.296 4.380 . 0 0 "[ . 1 . 2]" 1
523 1 13 GLU H 1 14 ARG H 3.485 . 5.170 4.532 4.445 4.704 . 0 0 "[ . 1 . 2]" 1
524 1 14 ARG H 1 86 SER H 3.585 . 5.370 4.940 4.603 5.162 . 0 0 "[ . 1 . 2]" 1
525 1 65 ASN H 1 90 LEU HA 3.250 . 4.700 3.502 3.341 3.706 . 0 0 "[ . 1 . 2]" 1
526 1 62 LEU H 1 62 LEU HB3 2.770 . 3.740 3.107 3.074 3.157 . 0 0 "[ . 1 . 2]" 1
527 1 62 LEU H 1 62 LEU HG 2.785 . 3.770 3.092 3.018 3.139 . 0 0 "[ . 1 . 2]" 1
528 1 62 LEU H 1 62 LEU HB2 2.895 . 3.990 3.796 3.774 3.819 . 0 0 "[ . 1 . 2]" 1
529 1 62 LEU H 1 62 LEU MD2 2.865 . 3.930 2.037 2.016 2.072 . 0 0 "[ . 1 . 2]" 1
530 1 62 LEU H 1 62 LEU MD1 2.930 . 4.060 4.159 4.144 4.176 0.116 1 0 "[ . 1 . 2]" 1
531 1 61 ILE MG 1 62 LEU H 2.525 . 3.250 2.881 2.801 2.951 . 0 0 "[ . 1 . 2]" 1
532 1 62 LEU H 1 92 VAL HA 2.880 . 3.960 3.050 2.970 3.127 . 0 0 "[ . 1 . 2]" 1
533 1 62 LEU H 1 91 TYR HB3 3.385 . 4.970 4.145 4.120 4.167 . 0 0 "[ . 1 . 2]" 1
534 1 62 LEU H 1 91 TYR HB2 3.650 . 5.500 5.714 5.706 5.724 0.224 17 0 "[ . 1 . 2]" 1
535 1 62 LEU H 1 63 PHE HB2 3.375 . 4.950 4.978 4.959 5.025 0.075 10 0 "[ . 1 . 2]" 1
536 1 62 LEU H 1 91 TYR QD 3.225 . 4.650 4.676 4.657 4.699 0.049 1 0 "[ . 1 . 2]" 1
537 1 62 LEU H 1 93 MET H 3.130 . 4.460 4.662 4.618 4.687 0.227 15 0 "[ . 1 . 2]" 1
538 1 62 LEU H 1 91 TYR H 3.345 . 4.890 4.695 4.645 4.779 . 0 0 "[ . 1 . 2]" 1
539 1 50 ALA H 1 51 GLN QB 3.310 . 4.820 4.791 4.658 4.838 0.018 1 0 "[ . 1 . 2]" 1
540 1 50 ALA H 1 50 ALA MB 2.430 . 3.060 2.344 2.327 2.367 . 0 0 "[ . 1 . 2]" 1
541 1 43 ILE MD 1 50 ALA H 3.650 . 5.500 5.287 5.172 5.394 . 0 0 "[ . 1 . 2]" 1
542 1 50 ALA H 1 51 GLN H 2.785 . 3.770 2.660 2.613 2.704 . 0 0 "[ . 1 . 2]" 1
543 1 50 ALA H 1 52 ASP H 3.490 . 5.180 4.404 4.265 4.489 . 0 0 "[ . 1 . 2]" 1
544 1 50 ALA H 1 54 ARG H 3.650 . 5.500 5.134 4.929 5.495 . 0 0 "[ . 1 . 2]" 1
545 1 47 GLY H 1 50 ALA H 3.380 . 4.960 4.619 4.554 4.680 . 0 0 "[ . 1 . 2]" 1
546 1 50 ALA H 1 53 GLY H 3.590 . 5.380 4.538 4.228 4.652 . 0 0 "[ . 1 . 2]" 1
547 1 48 ALA H 1 50 ALA H 3.175 . 4.550 4.216 4.138 4.306 . 0 0 "[ . 1 . 2]" 1
548 1 90 LEU H 1 90 LEU HB3 2.890 . 3.980 3.200 3.103 3.420 . 0 0 "[ . 1 . 2]" 1
549 1 90 LEU H 1 90 LEU HG 2.790 . 3.780 3.076 2.319 3.994 0.214 10 0 "[ . 1 . 2]" 1
550 1 10 ILE HB 1 90 LEU H 3.045 . 4.290 4.285 4.194 4.350 0.060 19 0 "[ . 1 . 2]" 1
551 1 90 LEU H 1 90 LEU HB2 2.890 . 3.980 3.789 3.725 3.893 . 0 0 "[ . 1 . 2]" 1
552 1 90 LEU H 1 90 LEU MD1 2.700 . 3.600 2.825 1.966 3.552 . 0 0 "[ . 1 . 2]" 1
553 1 90 LEU H 1 90 LEU MD2 2.700 . 3.600 3.610 3.537 3.681 0.081 5 0 "[ . 1 . 2]" 1
554 1 10 ILE MD 1 90 LEU H 3.650 . 5.500 5.674 5.605 5.718 0.218 17 0 "[ . 1 . 2]" 1
555 1 11 THR HA 1 90 LEU H 2.780 . 3.760 3.661 3.472 3.823 0.063 18 0 "[ . 1 . 2]" 1
556 1 65 ASN HA 1 90 LEU H 3.650 . 5.500 5.768 5.685 5.825 0.325 13 0 "[ . 1 . 2]" 1
557 1 12 LEU H 1 90 LEU H 3.205 . 4.610 4.446 4.150 4.675 0.065 5 0 "[ . 1 . 2]" 1
558 1 89 ARG H 1 90 LEU H 3.220 . 4.640 4.344 4.183 4.609 . 0 0 "[ . 1 . 2]" 1
559 1 90 LEU H 1 91 TYR H 3.190 . 4.580 4.582 4.461 4.615 0.035 3 0 "[ . 1 . 2]" 1
560 1 10 ILE H 1 90 LEU H 2.950 . 4.100 4.088 3.864 4.181 0.081 8 0 "[ . 1 . 2]" 1
561 1 88 VAL H 1 88 VAL HB 2.905 . 4.010 3.274 2.319 4.038 0.028 1 0 "[ . 1 . 2]" 1
562 1 88 VAL HB 1 89 ARG H 2.965 . 4.130 3.509 3.124 4.345 0.215 11 0 "[ . 1 . 2]" 1
563 1 87 ILE HB 1 88 VAL H 3.490 . 5.180 4.302 4.110 4.496 . 0 0 "[ . 1 . 2]" 1
564 1 84 ALA MB 1 88 VAL H 3.135 . 4.470 4.504 4.240 4.618 0.148 14 0 "[ . 1 . 2]" 1
565 1 87 ILE HG12 1 88 VAL H 3.475 . 5.150 5.243 5.214 5.271 0.121 2 0 "[ . 1 . 2]" 1
566 1 11 THR MG 1 88 VAL H 2.965 . 4.130 4.220 4.162 4.285 0.155 10 0 "[ . 1 . 2]" 1
567 1 11 THR MG 1 89 ARG H 3.250 . 4.700 4.369 4.218 4.620 . 0 0 "[ . 1 . 2]" 1
568 1 88 VAL MG1 1 89 ARG H 3.020 . 4.240 3.598 2.772 4.024 . 0 0 "[ . 1 . 2]" 1
569 1 88 VAL H 1 88 VAL MG1 2.570 . 3.340 3.467 2.907 4.001 0.661 3 1 "[ + . 1 . 2]" 1
570 1 88 VAL H 1 88 VAL MG2 2.570 . 3.340 2.961 2.755 3.623 0.283 20 0 "[ . 1 . 2]" 1
571 1 11 THR HA 1 88 VAL H 3.570 . 5.340 5.311 5.158 5.420 0.080 15 0 "[ . 1 . 2]" 1
572 1 13 GLU HA 1 88 VAL H 2.835 . 3.870 3.474 3.234 3.698 . 0 0 "[ . 1 . 2]" 1
573 1 87 ILE HA 1 88 VAL H 2.645 . 3.490 1.989 1.935 2.036 . 0 0 "[ . 1 . 2]" 1
574 1 89 ARG H 1 89 ARG HD2 3.650 . 5.500 5.179 4.300 5.380 . 0 0 "[ . 1 . 2]" 1
575 1 89 ARG H 1 89 ARG HD3 3.650 . 5.500 4.792 3.022 5.028 . 0 0 "[ . 1 . 2]" 1
576 1 14 ARG H 1 88 VAL H 3.000 . 4.200 4.226 4.067 4.287 0.087 15 0 "[ . 1 . 2]" 1
577 1 13 GLU H 1 88 VAL H 3.580 . 5.360 5.088 4.916 5.189 . 0 0 "[ . 1 . 2]" 1
578 1 86 SER H 1 88 VAL H 3.650 . 5.500 5.388 5.113 5.512 0.012 13 0 "[ . 1 . 2]" 1
579 1 88 VAL H 1 89 ARG H 3.245 . 4.690 4.371 4.254 4.506 . 0 0 "[ . 1 . 2]" 1
580 1 67 VAL QG 1 68 ASP H 2.605 . 2.920 2.940 2.659 3.032 0.112 10 0 "[ . 1 . 2]" 1
581 1 67 VAL HA 1 68 ASP H 2.425 . 3.050 2.277 2.186 2.393 . 0 0 "[ . 1 . 2]" 1
582 1 68 ASP H 1 68 ASP HB3 2.805 . 3.810 3.133 2.576 3.766 . 0 0 "[ . 1 . 2]" 1
583 1 68 ASP H 1 68 ASP HB2 2.805 . 3.810 3.536 2.564 3.847 0.037 15 0 "[ . 1 . 2]" 1
584 1 67 VAL HB 1 68 ASP H 3.100 . 4.400 2.502 2.096 4.261 . 0 0 "[ . 1 . 2]" 1
585 1 68 ASP H 1 69 VAL H 3.210 . 4.620 4.168 4.027 4.252 . 0 0 "[ . 1 . 2]" 1
586 1 63 PHE QE 1 68 ASP H 2.990 . 4.180 4.275 4.230 4.330 0.150 13 0 "[ . 1 . 2]" 1
587 1 63 PHE QD 1 68 ASP H 3.175 . 4.550 4.024 3.918 4.127 . 0 0 "[ . 1 . 2]" 1
588 1 44 ILE H 1 44 ILE HB 2.700 . 3.600 2.545 2.464 2.616 . 0 0 "[ . 1 . 2]" 1
589 1 44 ILE H 1 50 ALA MB 3.015 . 4.230 4.088 3.980 4.166 . 0 0 "[ . 1 . 2]" 1
590 1 42 LYS QD 1 44 ILE H 2.950 . 4.100 4.057 3.900 4.203 0.103 16 0 "[ . 1 . 2]" 1
591 1 44 ILE H 1 44 ILE HG12 3.030 . 4.260 4.263 3.918 4.328 0.068 11 0 "[ . 1 . 2]" 1
592 1 44 ILE H 1 44 ILE HG13 3.030 . 4.260 3.839 3.756 4.118 . 0 0 "[ . 1 . 2]" 1
593 1 44 ILE H 1 44 ILE MG 2.815 . 3.830 3.902 3.871 3.920 0.090 3 0 "[ . 1 . 2]" 1
594 1 44 ILE H 1 44 ILE MD 2.760 . 3.720 2.345 2.288 2.405 . 0 0 "[ . 1 . 2]" 1
595 1 43 ILE MD 1 44 ILE H 3.075 . 4.350 4.087 4.023 4.184 . 0 0 "[ . 1 . 2]" 1
596 1 21 PHE HA 1 44 ILE H 2.950 . 4.100 2.879 2.758 3.159 . 0 0 "[ . 1 . 2]" 1
597 1 43 ILE HA 1 44 ILE H 2.630 . 3.460 2.247 2.178 2.285 . 0 0 "[ . 1 . 2]" 1
598 1 21 PHE HB2 1 44 ILE H 3.305 . 4.810 4.907 4.786 4.948 0.138 11 0 "[ . 1 . 2]" 1
599 1 21 PHE HB3 1 44 ILE H 3.305 . 4.810 4.316 4.161 4.383 . 0 0 "[ . 1 . 2]" 1
600 1 21 PHE H 1 44 ILE H 3.400 . 5.000 4.552 4.363 4.788 . 0 0 "[ . 1 . 2]" 1
601 1 10 ILE H 1 92 VAL H 3.025 . 4.250 4.357 4.319 4.401 0.151 6 0 "[ . 1 . 2]" 1
602 1 9 GLU H 1 10 ILE H 3.130 . 4.460 4.412 4.316 4.476 0.016 11 0 "[ . 1 . 2]" 1
603 1 10 ILE H 1 11 THR H 3.335 . 4.870 4.596 4.530 4.687 . 0 0 "[ . 1 . 2]" 1
604 1 10 ILE H 1 91 TYR HA 2.975 . 4.150 3.628 3.574 3.700 . 0 0 "[ . 1 . 2]" 1
605 1 9 GLU HA 1 10 ILE H 2.550 . 3.300 2.157 2.091 2.239 . 0 0 "[ . 1 . 2]" 1
606 1 9 GLU HB2 1 10 ILE H 2.715 . 3.630 3.668 3.644 3.701 0.071 18 0 "[ . 1 . 2]" 1
607 1 10 ILE H 1 90 LEU HG 3.100 . 4.400 4.931 4.176 5.748 1.348 9 9 "[ *. **+-** . * *]" 1
608 1 10 ILE H 1 10 ILE HB 2.730 . 3.660 2.751 2.680 2.842 . 0 0 "[ . 1 . 2]" 1
609 1 10 ILE H 1 10 ILE HG12 3.245 . 4.690 4.423 4.344 4.538 . 0 0 "[ . 1 . 2]" 1
610 1 10 ILE H 1 10 ILE MG 2.895 . 3.990 4.067 4.031 4.106 0.116 5 0 "[ . 1 . 2]" 1
611 1 10 ILE H 1 10 ILE MD 2.850 . 3.900 3.577 3.468 3.649 . 0 0 "[ . 1 . 2]" 1
612 1 44 ILE HB 1 47 GLY H 3.345 . 4.890 3.897 3.689 3.992 . 0 0 "[ . 1 . 2]" 1
613 1 47 GLY H 1 50 ALA MB 2.570 . 3.340 3.160 3.077 3.217 . 0 0 "[ . 1 . 2]" 1
614 1 44 ILE MG 1 47 GLY H 2.960 . 4.120 2.758 2.522 3.028 . 0 0 "[ . 1 . 2]" 1
615 1 44 ILE MD 1 47 GLY H 3.650 . 5.500 5.652 5.621 5.672 0.172 9 0 "[ . 1 . 2]" 1
616 1 34 ASP H 1 35 ASP H 2.560 . 3.320 2.843 2.076 3.240 . 0 0 "[ . 1 . 2]" 1
617 1 79 GLU H 1 83 GLU H 3.650 . 5.500 5.789 5.716 5.913 0.413 12 0 "[ . 1 . 2]" 1
618 1 52 ASP H 1 53 GLY H 2.680 . 3.560 2.635 2.582 2.701 . 0 0 "[ . 1 . 2]" 1
619 1 24 ALA MB 1 25 GLY H 2.835 . 3.870 3.264 3.066 3.345 . 0 0 "[ . 1 . 2]" 1
620 1 25 GLY H 1 38 ILE MG 3.205 . 4.610 3.734 3.569 4.340 . 0 0 "[ . 1 . 2]" 1
621 1 25 GLY H 2 6 ILE MD 3.565 . 5.330 5.091 4.804 5.332 0.002 8 0 "[ . 1 . 2]" 1
622 1 84 ALA H 1 85 GLY H 2.705 . 3.610 2.849 2.618 3.009 . 0 0 "[ . 1 . 2]" 1
623 1 84 ALA MB 1 85 GLY H 2.710 . 3.620 3.006 2.913 3.122 . 0 0 "[ . 1 . 2]" 1
624 1 83 GLU HB2 1 85 GLY H 3.650 . 5.500 5.677 5.632 5.757 0.257 15 0 "[ . 1 . 2]" 1
625 1 83 GLU HB3 1 85 GLY H 3.650 . 5.500 5.537 5.272 5.834 0.334 7 0 "[ . 1 . 2]" 1
626 1 49 ALA HA 1 53 GLY H 3.160 . 4.520 2.923 2.795 3.076 . 0 0 "[ . 1 . 2]" 1
627 1 51 GLN QB 1 53 GLY H 3.360 . 4.920 4.947 4.838 4.984 0.064 19 0 "[ . 1 . 2]" 1
628 1 52 ASP HB2 1 53 GLY H 2.910 . 4.020 3.382 3.336 3.506 . 0 0 "[ . 1 . 2]" 1
629 1 52 ASP HB3 1 53 GLY H 2.910 . 4.020 3.833 3.785 3.971 . 0 0 "[ . 1 . 2]" 1
630 1 12 LEU QD 1 53 GLY H 2.935 . 4.070 3.364 3.193 3.678 . 0 0 "[ . 1 . 2]" 1
631 1 49 ALA MB 1 53 GLY H 3.105 . 4.410 4.462 4.344 4.540 0.130 20 0 "[ . 1 . 2]" 1
632 1 46 GLY H 1 47 GLY H 2.620 . 3.440 2.803 2.749 2.873 . 0 0 "[ . 1 . 2]" 1
633 1 62 LEU H 1 63 PHE H 2.675 . 3.550 2.319 2.292 2.339 . 0 0 "[ . 1 . 2]" 1
634 1 63 PHE H 1 91 TYR H 2.855 . 3.910 3.648 3.573 3.727 . 0 0 "[ . 1 . 2]" 1
635 1 82 LYS H 1 83 GLU H 2.640 . 3.480 2.562 2.395 2.674 . 0 0 "[ . 1 . 2]" 1
636 1 81 LEU H 1 82 LYS H 2.635 . 3.470 2.401 2.287 2.500 . 0 0 "[ . 1 . 2]" 1
637 1 80 ALA H 1 81 LEU H 2.595 . 3.390 2.657 2.456 2.764 . 0 0 "[ . 1 . 2]" 1
638 1 20 GLY H 1 21 PHE H 2.580 . 3.360 2.630 1.934 3.443 0.083 2 0 "[ . 1 . 2]" 1
639 1 51 GLN H 1 52 ASP H 2.635 . 3.470 2.820 2.751 2.854 . 0 0 "[ . 1 . 2]" 1
640 1 49 ALA H 1 50 ALA H 2.880 . 3.960 2.656 2.634 2.669 . 0 0 "[ . 1 . 2]" 1
641 1 48 ALA H 1 49 ALA H 2.765 . 3.730 2.709 2.682 2.776 . 0 0 "[ . 1 . 2]" 1
642 1 54 ARG H 1 55 LEU H 2.865 . 3.930 2.463 2.018 2.591 . 0 0 "[ . 1 . 2]" 1
643 1 83 GLU H 1 84 ALA H 2.505 . 3.210 2.860 2.747 3.061 . 0 0 "[ . 1 . 2]" 1
644 1 71 GLU H 1 72 VAL H 2.815 . 3.830 3.188 3.094 3.293 . 0 0 "[ . 1 . 2]" 1
645 1 28 ASP H 1 29 ASN H 2.660 . 3.520 2.251 2.160 2.332 . 0 0 "[ . 1 . 2]" 1
646 1 4 GLU H 1 5 MET H 3.205 . 4.610 4.636 4.508 4.698 0.088 3 0 "[ . 1 . 2]" 1
647 1 79 GLU H 1 80 ALA H 2.540 . 3.280 2.838 2.749 2.904 . 0 0 "[ . 1 . 2]" 1
648 1 87 ILE H 1 88 VAL H 3.105 . 4.410 4.169 3.863 4.314 . 0 0 "[ . 1 . 2]" 1
649 1 41 THR H 1 42 LYS H 2.430 . 3.060 2.017 1.972 2.056 . 0 0 "[ . 1 . 2]" 1
650 1 58 ASN H 1 59 ASP H 2.665 . 3.530 2.826 2.703 2.863 . 0 0 "[ . 1 . 2]" 1
651 1 59 ASP H 1 60 SER H 2.815 . 3.830 2.611 2.544 2.829 . 0 0 "[ . 1 . 2]" 1
652 1 75 SER H 1 76 ALA H 2.760 . 3.720 2.905 2.786 3.055 . 0 0 "[ . 1 . 2]" 1
653 1 76 ALA H 1 77 ALA H 2.435 . 3.070 2.715 2.490 2.803 . 0 0 "[ . 1 . 2]" 1
654 1 12 LEU H 1 88 VAL H 2.820 . 3.840 3.842 3.743 3.925 0.085 12 0 "[ . 1 . 2]" 1
655 1 6 GLU H 1 96 LYS H 2.985 . 4.170 4.185 3.925 4.287 0.117 14 0 "[ . 1 . 2]" 1
656 1 38 ILE MD 1 71 GLU H 3.125 . 4.450 4.523 4.082 4.597 0.147 3 0 "[ . 1 . 2]" 1
657 1 38 ILE MD 1 73 THR H 3.535 . 5.270 5.096 4.600 5.278 0.008 20 0 "[ . 1 . 2]" 1
658 1 38 ILE MD 1 77 ALA H 3.650 . 5.500 5.192 4.922 5.423 . 0 0 "[ . 1 . 2]" 1
659 1 38 ILE HA 1 38 ILE MD 3.000 . 4.200 3.028 2.950 3.156 . 0 0 "[ . 1 . 2]" 1
660 1 38 ILE MD 1 69 VAL HA 3.205 . 4.610 4.234 3.751 4.467 . 0 0 "[ . 1 . 2]" 1
661 1 38 ILE MD 1 71 GLU HA 3.375 . 4.950 4.350 3.798 4.640 . 0 0 "[ . 1 . 2]" 1
662 1 38 ILE HB 1 38 ILE MD 2.920 . 4.040 3.412 2.971 3.463 . 0 0 "[ . 1 . 2]" 1
663 1 38 ILE MD 1 77 ALA MB 2.565 . 3.330 3.185 2.890 3.396 0.066 12 0 "[ . 1 . 2]" 1
664 1 38 ILE MD 1 38 ILE MG 2.540 . 3.280 2.854 2.701 3.243 . 0 0 "[ . 1 . 2]" 1
665 1 43 ILE HA 1 44 ILE MD 3.650 . 5.500 3.365 3.242 3.472 . 0 0 "[ . 1 . 2]" 1
666 1 44 ILE HA 1 44 ILE MD 2.850 . 3.900 3.167 2.947 3.270 . 0 0 "[ . 1 . 2]" 1
667 1 44 ILE HB 1 44 ILE MD 2.765 . 3.730 2.379 2.282 2.586 . 0 0 "[ . 1 . 2]" 1
668 1 87 ILE MD 1 88 VAL H 2.940 . 4.080 4.173 4.104 4.253 0.173 20 0 "[ . 1 . 2]" 1
669 1 87 ILE H 1 87 ILE MD 2.935 . 4.070 3.987 3.858 4.115 0.045 13 0 "[ . 1 . 2]" 1
670 1 13 GLU HA 1 87 ILE MD 2.845 . 3.890 2.817 2.430 2.978 . 0 0 "[ . 1 . 2]" 1
671 1 87 ILE HA 1 87 ILE MD 2.960 . 4.120 2.639 2.567 2.683 . 0 0 "[ . 1 . 2]" 1
672 1 13 GLU HG2 1 87 ILE MD 3.000 . 4.200 2.809 2.015 4.461 0.261 13 0 "[ . 1 . 2]" 1
673 1 13 GLU HG3 1 87 ILE MD 3.000 . 4.200 3.244 2.061 4.383 0.183 14 0 "[ . 1 . 2]" 1
674 1 13 GLU HB3 1 87 ILE MD 2.990 . 4.180 3.090 2.034 4.206 0.026 7 0 "[ . 1 . 2]" 1
675 1 13 GLU HB2 1 87 ILE MD 2.990 . 4.180 3.860 2.649 4.327 0.147 6 0 "[ . 1 . 2]" 1
676 1 87 ILE HB 1 87 ILE MD 2.825 . 3.850 3.445 3.423 3.470 . 0 0 "[ . 1 . 2]" 1
677 1 43 ILE MD 1 56 ARG HA 2.820 . 3.840 3.349 3.033 3.497 . 0 0 "[ . 1 . 2]" 1
678 1 43 ILE HA 1 43 ILE MD 2.745 . 3.690 2.505 2.458 2.600 . 0 0 "[ . 1 . 2]" 1
679 1 21 PHE HB2 1 43 ILE MD 3.025 . 4.250 2.356 2.301 2.417 . 0 0 "[ . 1 . 2]" 1
680 1 21 PHE HB3 1 43 ILE MD 3.025 . 4.250 2.639 2.564 2.930 . 0 0 "[ . 1 . 2]" 1
681 1 22 SER H 1 43 ILE MD 2.860 . 3.920 3.909 3.853 3.953 0.033 5 0 "[ . 1 . 2]" 1
682 1 43 ILE MD 1 57 VAL H 2.950 . 4.100 3.403 3.238 3.496 . 0 0 "[ . 1 . 2]" 1
683 1 43 ILE HB 1 43 ILE MD 2.620 . 3.440 3.425 3.416 3.443 0.003 16 0 "[ . 1 . 2]" 1
684 1 43 ILE MD 1 43 ILE MG 2.395 . 2.990 2.579 2.490 2.612 . 0 0 "[ . 1 . 2]" 1
685 1 40 ILE MG 1 43 ILE MD 2.635 . 3.470 1.990 1.938 2.032 . 0 0 "[ . 1 . 2]" 1
686 1 32 ILE HA 1 32 ILE MD 2.875 . 3.950 2.921 2.407 3.982 0.032 2 0 "[ . 1 . 2]" 1
687 1 32 ILE MD 1 39 PHE QE 2.890 . 3.980 4.038 3.812 4.114 0.134 12 0 "[ . 1 . 2]" 1
688 1 32 ILE HB 1 32 ILE MD 2.685 . 3.570 2.454 2.255 3.387 . 0 0 "[ . 1 . 2]" 1
689 1 40 ILE MD 1 60 SER H 3.035 . 4.270 3.337 3.204 3.460 . 0 0 "[ . 1 . 2]" 1
690 1 21 PHE QD 1 40 ILE MD 2.985 . 4.170 3.153 2.968 3.309 . 0 0 "[ . 1 . 2]" 1
691 1 40 ILE HB 1 40 ILE MD 2.795 . 3.790 3.315 3.302 3.331 . 0 0 "[ . 1 . 2]" 1
692 1 40 ILE HA 1 40 ILE MD 3.025 . 4.250 2.893 2.833 2.942 . 0 0 "[ . 1 . 2]" 1
693 1 23 ILE MG 1 40 ILE MD 2.625 . 3.450 2.303 2.173 2.383 . 0 0 "[ . 1 . 2]" 1
694 1 32 ILE MD 1 32 ILE MG 2.545 . 3.290 3.078 2.531 3.197 . 0 0 "[ . 1 . 2]" 1
695 1 40 ILE MD 1 40 ILE MG 2.555 . 3.310 2.317 2.263 2.368 . 0 0 "[ . 1 . 2]" 1
696 1 40 ILE MD 1 61 ILE MD 2.660 . 3.520 2.591 2.524 2.672 . 0 0 "[ . 1 . 2]" 1
697 1 61 ILE H 1 61 ILE MD 2.975 . 4.150 3.714 3.646 3.849 . 0 0 "[ . 1 . 2]" 1
698 1 21 PHE QE 1 61 ILE MD 2.675 . 3.550 2.377 2.118 2.661 . 0 0 "[ . 1 . 2]" 1
699 1 61 ILE HA 1 61 ILE MD 3.040 . 4.280 4.250 4.188 4.290 0.010 17 0 "[ . 1 . 2]" 1
700 1 23 ILE H 1 23 ILE MD 3.045 . 4.290 3.013 2.497 3.149 . 0 0 "[ . 1 . 2]" 1
701 1 23 ILE MD 1 81 LEU H 3.505 . 5.210 5.318 5.260 5.382 0.172 17 0 "[ . 1 . 2]" 1
702 1 23 ILE HA 1 23 ILE MD 3.000 . 4.200 4.021 3.969 4.072 . 0 0 "[ . 1 . 2]" 1
703 1 23 ILE MD 1 77 ALA HA 3.215 . 4.630 4.655 4.532 4.744 0.114 2 0 "[ . 1 . 2]" 1
704 1 23 ILE MD 2 8 SER QB 3.390 . 4.980 2.166 1.972 2.452 . 0 0 "[ . 1 . 2]" 1
705 1 23 ILE MD 1 78 VAL HA 2.930 . 4.060 2.992 2.796 3.182 . 0 0 "[ . 1 . 2]" 1
706 1 23 ILE HB 1 23 ILE MD 2.740 . 3.680 2.751 2.654 3.506 . 0 0 "[ . 1 . 2]" 1
707 1 23 ILE MD 1 77 ALA MB 2.690 . 3.580 2.739 2.575 3.149 . 0 0 "[ . 1 . 2]" 1
708 1 10 ILE MD 1 92 VAL H 3.045 . 4.290 4.279 4.015 4.361 0.071 18 0 "[ . 1 . 2]" 1
709 1 10 ILE MD 1 56 ARG H 3.650 . 5.500 4.896 4.674 5.272 . 0 0 "[ . 1 . 2]" 1
710 1 10 ILE HA 1 10 ILE MD 2.960 . 4.120 4.109 4.058 4.157 0.037 15 0 "[ . 1 . 2]" 1
711 1 8 GLU HG3 1 10 ILE MD 3.305 . 4.810 4.320 3.104 4.913 0.103 17 0 "[ . 1 . 2]" 1
712 1 8 GLU HB3 1 10 ILE MD 2.855 . 3.910 3.127 2.626 3.397 . 0 0 "[ . 1 . 2]" 1
713 1 10 ILE MD 1 90 LEU HG 3.100 . 4.400 4.460 4.353 4.538 0.138 18 0 "[ . 1 . 2]" 1
714 1 10 ILE HB 1 10 ILE MD 2.660 . 3.520 2.294 2.227 2.341 . 0 0 "[ . 1 . 2]" 1
715 1 10 ILE MD 1 10 ILE MG 2.490 . 3.180 2.505 2.430 2.596 . 0 0 "[ . 1 . 2]" 1
716 1 20 GLY HA3 1 44 ILE MG 3.155 . 4.510 3.759 3.262 4.256 . 0 0 "[ . 1 . 2]" 1
717 1 44 ILE HA 1 44 ILE MG 2.535 . 3.270 2.842 2.763 2.908 . 0 0 "[ . 1 . 2]" 1
718 1 44 ILE MG 1 45 PRO HD2 2.750 . 3.700 2.897 2.752 3.067 . 0 0 "[ . 1 . 2]" 1
719 1 20 GLY HA2 1 44 ILE MG 3.155 . 4.510 3.166 2.951 3.625 . 0 0 "[ . 1 . 2]" 1
720 1 44 ILE MG 1 45 PRO HD3 2.750 . 3.700 3.495 3.371 3.683 . 0 0 "[ . 1 . 2]" 1
721 1 44 ILE HG12 1 44 ILE MG 2.890 . 3.980 2.105 2.047 2.255 . 0 0 "[ . 1 . 2]" 1
722 1 44 ILE HG13 1 44 ILE MG 2.890 . 3.980 2.573 2.401 2.701 . 0 0 "[ . 1 . 2]" 1
723 1 32 ILE MG 1 39 PHE QE 3.240 . 4.680 4.494 2.596 4.771 0.091 14 0 "[ . 1 . 2]" 1
724 1 10 ILE HA 1 10 ILE MG 2.770 . 3.740 2.701 2.556 2.815 . 0 0 "[ . 1 . 2]" 1
725 1 10 ILE MG 1 53 GLY HA3 3.050 . 4.300 3.314 2.955 3.827 . 0 0 "[ . 1 . 2]" 1
726 1 10 ILE MG 1 53 GLY HA2 3.050 . 4.300 3.408 2.972 4.311 0.011 20 0 "[ . 1 . 2]" 1
727 1 32 ILE MG 1 35 ASP HB3 3.175 . 4.550 3.768 2.046 4.703 0.153 4 0 "[ . 1 . 2]" 1
728 1 32 ILE MG 1 35 ASP HB2 3.175 . 4.550 3.012 1.790 4.663 0.113 6 0 "[ . 1 . 2]" 1
729 1 77 ALA HA 1 80 ALA MB 2.720 . 3.640 3.270 3.112 3.379 . 0 0 "[ . 1 . 2]" 1
730 1 67 VAL HB 1 80 ALA MB 3.565 . 5.330 5.058 3.927 5.402 0.072 17 0 "[ . 1 . 2]" 1
731 1 79 GLU HB2 1 80 ALA MB 3.650 . 5.500 4.550 4.500 4.633 . 0 0 "[ . 1 . 2]" 1
732 1 79 GLU HB3 1 80 ALA MB 3.650 . 5.500 4.974 4.706 5.085 . 0 0 "[ . 1 . 2]" 1
733 1 80 ALA MB 1 81 LEU HB2 3.650 . 5.500 4.827 4.570 5.021 . 0 0 "[ . 1 . 2]" 1
734 1 64 VAL HB 1 80 ALA MB 2.945 . 4.090 3.359 2.117 4.306 0.216 3 0 "[ . 1 . 2]" 1
735 1 10 ILE MG 1 90 LEU HG 2.910 . 4.020 3.922 3.337 4.194 0.174 20 0 "[ . 1 . 2]" 1
736 1 10 ILE HG12 1 10 ILE MG 2.865 . 3.930 2.288 2.181 2.366 . 0 0 "[ . 1 . 2]" 1
737 1 13 GLU HA 1 87 ILE MG 3.040 . 4.280 4.312 4.054 4.396 0.116 7 0 "[ . 1 . 2]" 1
738 1 69 VAL HA 1 72 VAL MG2 2.950 . 4.100 2.643 2.449 3.030 . 0 0 "[ . 1 . 2]" 1
739 1 43 ILE HA 1 43 ILE MG 2.730 . 3.660 2.904 2.763 2.938 . 0 0 "[ . 1 . 2]" 1
740 1 43 ILE MG 1 44 ILE HA 3.340 . 4.880 4.254 4.177 4.337 . 0 0 "[ . 1 . 2]" 1
741 1 43 ILE MG 1 45 PRO HA 3.485 . 5.170 4.092 3.925 4.195 . 0 0 "[ . 1 . 2]" 1
742 1 11 THR HB 1 87 ILE MG 3.435 . 5.070 4.170 3.381 4.880 . 0 0 "[ . 1 . 2]" 1
743 1 43 ILE MG 1 50 ALA H 3.265 . 4.730 4.675 4.579 4.751 0.021 1 0 "[ . 1 . 2]" 1
744 1 87 ILE MG 1 88 VAL H 2.725 . 3.650 3.157 2.776 3.540 . 0 0 "[ . 1 . 2]" 1
745 1 43 ILE H 1 43 ILE MG 2.860 . 3.920 4.005 3.988 4.031 0.111 16 0 "[ . 1 . 2]" 1
746 1 43 ILE MG 1 44 ILE H 2.940 . 4.080 3.196 2.992 3.355 . 0 0 "[ . 1 . 2]" 1
747 1 87 ILE H 1 87 ILE MG 2.940 . 4.080 4.157 4.087 4.199 0.119 17 0 "[ . 1 . 2]" 1
748 1 40 ILE MG 1 43 ILE HA 3.065 . 4.330 4.434 4.397 4.468 0.138 16 0 "[ . 1 . 2]" 1
749 1 43 ILE MG 1 50 ALA MB 2.430 . 3.060 2.297 2.211 2.363 . 0 0 "[ . 1 . 2]" 1
750 1 72 VAL MG2 1 76 ALA MB 2.685 . 3.570 2.640 2.397 2.881 . 0 0 "[ . 1 . 2]" 1
751 1 87 ILE HG13 1 87 ILE MG 2.760 . 3.720 2.460 2.418 2.506 . 0 0 "[ . 1 . 2]" 1
752 1 18 GLY H 1 48 ALA MB 3.525 . 5.250 5.187 4.356 5.504 0.254 7 0 "[ . 1 . 2]" 1
753 1 48 ALA MB 1 52 ASP H 3.615 . 5.430 4.512 4.415 4.630 . 0 0 "[ . 1 . 2]" 1
754 1 19 LEU HA 1 48 ALA MB 2.870 . 3.940 2.736 2.424 3.271 . 0 0 "[ . 1 . 2]" 1
755 1 48 ALA MB 1 49 ALA HA 3.105 . 4.410 4.246 4.198 4.316 . 0 0 "[ . 1 . 2]" 1
756 1 21 PHE QD 1 40 ILE MG 2.880 . 3.960 2.985 2.819 3.187 . 0 0 "[ . 1 . 2]" 1
757 1 40 ILE MG 1 57 VAL HA 2.830 . 3.860 2.196 2.132 2.263 . 0 0 "[ . 1 . 2]" 1
758 1 43 ILE HG12 1 43 ILE MG 2.770 . 3.740 3.288 3.271 3.303 . 0 0 "[ . 1 . 2]" 1
759 1 40 ILE HG12 1 40 ILE MG 2.810 . 3.820 3.285 3.273 3.298 . 0 0 "[ . 1 . 2]" 1
760 1 40 ILE MG 1 43 ILE HG12 2.915 . 4.030 2.955 2.831 3.017 . 0 0 "[ . 1 . 2]" 1
761 1 87 ILE HG12 1 87 ILE MG 2.655 . 3.510 3.291 3.273 3.328 . 0 0 "[ . 1 . 2]" 1
762 1 40 ILE MG 1 41 THR H 2.735 . 3.670 2.327 2.265 2.402 . 0 0 "[ . 1 . 2]" 1
763 1 69 VAL HB 1 77 ALA MB 3.155 . 4.510 3.735 3.104 4.725 0.215 13 0 "[ . 1 . 2]" 1
764 1 38 ILE HG12 1 77 ALA MB 3.650 . 5.500 3.628 3.063 4.222 . 0 0 "[ . 1 . 2]" 1
765 1 77 ALA MB 1 78 VAL HB 3.650 . 5.500 4.944 4.834 5.132 . 0 0 "[ . 1 . 2]" 1
766 1 92 VAL H 1 92 VAL MG2 2.785 . 3.770 2.367 2.308 2.420 . 0 0 "[ . 1 . 2]" 1
767 1 92 VAL HA 1 92 VAL MG2 2.965 . 4.130 3.296 3.288 3.305 . 0 0 "[ . 1 . 2]" 1
768 1 7 TYR HA 1 92 VAL MG2 3.300 . 4.800 4.440 4.350 4.552 . 0 0 "[ . 1 . 2]" 1
769 1 75 SER QB 1 76 ALA MB 3.180 . 4.560 4.193 3.980 4.598 0.038 20 0 "[ . 1 . 2]" 1
770 1 76 ALA MB 1 77 ALA HA 3.270 . 4.740 4.335 4.287 4.393 . 0 0 "[ . 1 . 2]" 1
771 1 72 VAL HB 1 76 ALA MB 2.590 . 3.380 2.159 1.914 2.380 . 0 0 "[ . 1 . 2]" 1
772 1 8 GLU HB3 1 92 VAL MG2 2.690 . 3.580 2.356 2.205 2.672 . 0 0 "[ . 1 . 2]" 1
773 1 40 ILE HG13 1 40 ILE MG 2.810 . 3.820 2.357 2.330 2.386 . 0 0 "[ . 1 . 2]" 1
774 1 46 GLY H 1 50 ALA MB 3.405 . 5.010 4.871 4.796 4.963 . 0 0 "[ . 1 . 2]" 1
775 1 48 ALA H 1 49 ALA MB 3.650 . 5.500 4.474 4.427 4.558 . 0 0 "[ . 1 . 2]" 1
776 1 38 ILE MG 1 61 ILE H 3.305 . 4.810 4.699 4.199 4.847 0.037 1 0 "[ . 1 . 2]" 1
777 1 21 PHE H 1 49 ALA MB 3.455 . 5.110 4.499 3.810 4.701 . 0 0 "[ . 1 . 2]" 1
778 1 49 ALA MB 1 54 ARG H 3.650 . 5.500 4.440 4.112 4.686 . 0 0 "[ . 1 . 2]" 1
779 1 50 ALA MB 1 51 GLN HG3 3.100 . 4.400 3.639 3.355 4.394 . 0 0 "[ . 1 . 2]" 1
780 1 50 ALA MB 1 51 GLN QB 3.180 . 4.560 4.319 4.139 4.405 . 0 0 "[ . 1 . 2]" 1
781 1 23 ILE HB 1 38 ILE MG 2.895 . 3.990 2.576 2.357 2.983 . 0 0 "[ . 1 . 2]" 1
782 1 38 ILE MG 1 61 ILE HB 2.955 . 4.110 3.896 3.378 4.142 0.032 13 0 "[ . 1 . 2]" 1
783 1 38 ILE MG 1 77 ALA MB 2.835 . 3.870 2.479 2.212 2.755 . 0 0 "[ . 1 . 2]" 1
784 1 61 ILE H 1 61 ILE MG 3.050 . 4.300 4.076 4.059 4.099 . 0 0 "[ . 1 . 2]" 1
785 1 23 ILE H 1 23 ILE MG 3.035 . 4.270 3.367 3.160 3.460 . 0 0 "[ . 1 . 2]" 1
786 1 23 ILE MG 1 24 ALA H 3.045 . 4.290 2.816 2.608 3.533 . 0 0 "[ . 1 . 2]" 1
787 1 21 PHE QE 1 23 ILE MG 2.640 . 3.480 2.716 2.385 2.915 . 0 0 "[ . 1 . 2]" 1
788 1 23 ILE HA 1 23 ILE MG 2.760 . 3.720 1.968 1.777 2.283 . 0 0 "[ . 1 . 2]" 1
789 1 84 ALA MB 1 88 VAL HA 2.935 . 4.070 3.114 2.774 3.265 . 0 0 "[ . 1 . 2]" 1
790 1 81 LEU HA 1 84 ALA MB 2.895 . 3.990 3.819 3.467 3.991 0.001 13 0 "[ . 1 . 2]" 1
791 1 84 ALA MB 1 88 VAL HB 3.005 . 4.210 4.170 3.400 4.542 0.332 15 0 "[ . 1 . 2]" 1
792 1 64 VAL MG1 1 81 LEU HG 3.135 . 4.470 3.328 2.215 4.358 . 0 0 "[ . 1 . 2]" 1
793 1 10 ILE H 1 92 VAL MG1 3.245 . 4.690 4.749 4.710 4.803 0.113 5 0 "[ . 1 . 2]" 1
794 1 62 LEU H 1 92 VAL MG1 3.395 . 4.990 4.392 4.289 4.487 . 0 0 "[ . 1 . 2]" 1
795 1 64 VAL H 1 64 VAL MG2 2.965 . 4.130 3.178 2.739 4.070 . 0 0 "[ . 1 . 2]" 1
796 1 78 VAL MG1 1 79 GLU H 2.875 . 3.950 3.774 3.721 3.842 . 0 0 "[ . 1 . 2]" 1
797 1 61 ILE H 1 92 VAL MG1 3.090 . 4.380 3.783 3.628 4.047 . 0 0 "[ . 1 . 2]" 1
798 1 78 VAL H 1 78 VAL MG1 2.855 . 3.910 3.971 3.951 3.986 0.076 3 0 "[ . 1 . 2]" 1
799 1 64 VAL HA 1 64 VAL MG2 2.830 . 3.860 2.885 2.307 3.397 . 0 0 "[ . 1 . 2]" 1
800 1 75 SER HA 1 78 VAL MG1 2.955 . 4.110 4.051 3.890 4.130 0.020 8 0 "[ . 1 . 2]" 1
801 1 67 VAL QG 1 68 ASP HA 3.485 . 4.170 4.205 3.970 4.373 0.203 14 0 "[ . 1 . 2]" 1
802 1 61 ILE HA 1 92 VAL MG1 2.840 . 3.880 2.720 2.560 2.900 . 0 0 "[ . 1 . 2]" 1
803 1 78 VAL MG1 1 79 GLU HA 2.965 . 4.130 4.153 4.079 4.206 0.076 19 0 "[ . 1 . 2]" 1
804 1 67 VAL HA 1 67 VAL QG 2.585 . 3.370 2.284 2.075 2.377 . 0 0 "[ . 1 . 2]" 1
805 1 57 VAL HA 1 57 VAL QG 2.760 . 3.720 2.260 2.235 2.275 . 0 0 "[ . 1 . 2]" 1
806 1 78 VAL MG1 1 82 LYS QE 2.995 . 4.190 2.917 1.973 4.212 0.022 6 0 "[ . 1 . 2]" 1
807 1 64 VAL MG2 1 81 LEU HG 3.135 . 4.470 3.673 3.085 4.534 0.064 13 0 "[ . 1 . 2]" 1
808 1 8 GLU HB3 1 92 VAL MG1 3.265 . 4.730 4.688 4.615 4.783 0.053 9 0 "[ . 1 . 2]" 1
809 1 90 LEU HG 1 92 VAL MG1 3.390 . 4.980 4.477 4.100 4.807 . 0 0 "[ . 1 . 2]" 1
810 1 78 VAL MG1 1 82 LYS HD2 3.135 . 4.470 2.734 2.294 4.191 . 0 0 "[ . 1 . 2]" 1
811 1 61 ILE HG12 1 92 VAL MG1 3.205 . 4.610 2.511 2.419 2.565 . 0 0 "[ . 1 . 2]" 1
812 1 69 VAL MG1 1 77 ALA MB 3.060 . 4.320 2.871 2.602 3.055 . 0 0 "[ . 1 . 2]" 1
813 1 88 VAL MG2 1 89 ARG H 3.020 . 4.240 4.109 3.042 4.330 0.090 3 0 "[ . 1 . 2]" 1
814 1 19 LEU MD2 1 21 PHE QE 2.880 . 3.960 3.422 2.297 4.103 0.143 11 0 "[ . 1 . 2]" 1
815 1 11 THR HA 1 11 THR MG 2.695 . 3.590 2.335 2.249 2.426 . 0 0 "[ . 1 . 2]" 1
816 1 88 VAL HA 1 88 VAL MG2 2.775 . 3.750 3.188 2.247 3.470 . 0 0 "[ . 1 . 2]" 1
817 1 11 THR MG 1 89 ARG HB3 3.030 . 4.260 2.143 1.810 3.585 . 0 0 "[ . 1 . 2]" 1
818 1 11 THR MG 1 12 LEU HB2 3.625 . 5.450 5.266 5.033 5.506 0.056 19 0 "[ . 1 . 2]" 1
819 1 12 LEU HB3 1 19 LEU MD2 2.970 . 4.140 3.148 2.196 4.256 0.116 13 0 "[ . 1 . 2]" 1
820 1 73 THR H 1 73 THR MG 2.580 . 3.360 3.082 2.999 3.158 . 0 0 "[ . 1 . 2]" 1
821 1 72 VAL HA 1 73 THR MG 3.270 . 4.740 4.563 4.436 4.669 . 0 0 "[ . 1 . 2]" 1
822 1 73 THR HA 1 73 THR MG 2.655 . 3.510 2.347 2.317 2.369 . 0 0 "[ . 1 . 2]" 1
823 1 27 THR MG 1 71 GLU HA 2.685 . 3.570 2.696 2.521 2.871 . 0 0 "[ . 1 . 2]" 1
824 1 27 THR HA 1 27 THR MG 2.670 . 3.540 2.315 2.301 2.327 . 0 0 "[ . 1 . 2]" 1
825 1 28 ASP HB2 1 73 THR MG 3.065 . 4.330 2.791 2.441 4.445 0.115 7 0 "[ . 1 . 2]" 1
826 1 28 ASP HB3 1 73 THR MG 3.065 . 4.330 3.976 3.852 4.179 . 0 0 "[ . 1 . 2]" 1
827 1 27 THR MG 1 71 GLU HB3 3.000 . 4.200 3.312 2.889 4.213 0.013 13 0 "[ . 1 . 2]" 1
828 1 27 THR MG 1 71 GLU HB2 3.000 . 4.200 4.171 2.316 4.321 0.121 9 0 "[ . 1 . 2]" 1
829 1 73 THR MG 1 76 ALA MB 2.895 . 3.990 4.038 4.020 4.051 0.061 20 0 "[ . 1 . 2]" 1
830 1 19 LEU HB2 1 19 LEU MD2 2.660 . 3.520 2.611 1.936 3.228 . 0 0 "[ . 1 . 2]" 1
831 1 19 LEU HB3 1 19 LEU MD2 2.660 . 3.520 2.624 2.038 3.127 . 0 0 "[ . 1 . 2]" 1
832 1 41 THR HA 1 41 THR MG 2.650 . 3.500 2.540 2.338 3.388 . 0 0 "[ . 1 . 2]" 1
833 1 24 ALA H 1 41 THR MG 3.595 . 5.390 4.969 3.615 5.457 0.067 17 0 "[ . 1 . 2]" 1
834 1 41 THR H 1 41 THR MG 2.915 . 4.030 3.707 2.965 4.160 0.130 7 0 "[ . 1 . 2]" 1
835 1 43 ILE HG12 1 57 VAL QG 2.660 . 3.520 1.793 1.729 1.837 . 0 0 "[ . 1 . 2]" 1
836 1 72 VAL MG1 1 77 ALA MB 3.095 . 4.390 4.366 4.191 4.452 0.062 11 0 "[ . 1 . 2]" 1
837 1 12 LEU H 1 12 LEU QD 3.055 . 4.310 3.500 2.997 3.847 . 0 0 "[ . 1 . 2]" 1
838 1 12 LEU QD 1 52 ASP H 3.590 . 5.380 4.749 4.518 4.959 . 0 0 "[ . 1 . 2]" 1
839 1 12 LEU HA 1 12 LEU QD 2.820 . 3.840 2.431 2.338 2.542 . 0 0 "[ . 1 . 2]" 1
840 1 75 SER HA 1 78 VAL MG2 2.950 . 4.100 3.336 3.096 3.495 . 0 0 "[ . 1 . 2]" 1
841 1 78 VAL HA 1 78 VAL MG2 2.740 . 3.680 2.470 2.432 2.536 . 0 0 "[ . 1 . 2]" 1
842 1 12 LEU QD 1 52 ASP HB2 3.115 . 4.430 4.197 3.882 4.338 . 0 0 "[ . 1 . 2]" 1
843 1 62 LEU HB3 1 62 LEU MD1 2.575 . 3.350 2.484 2.463 2.510 . 0 0 "[ . 1 . 2]" 1
844 1 12 LEU HB2 1 12 LEU QD 2.585 . 3.370 2.272 2.143 2.381 . 0 0 "[ . 1 . 2]" 1
845 1 12 LEU HB3 1 12 LEU QD 2.825 . 3.850 2.389 2.150 2.593 . 0 0 "[ . 1 . 2]" 1
846 1 24 ALA MB 1 41 THR MG 2.565 . 3.330 3.295 2.280 3.529 0.199 15 0 "[ . 1 . 2]" 1
847 1 55 LEU HB3 1 55 LEU MD2 2.795 . 3.790 2.021 1.955 2.109 . 0 0 "[ . 1 . 2]" 1
848 1 55 LEU HB2 1 55 LEU MD2 2.840 . 3.880 2.756 2.605 2.971 . 0 0 "[ . 1 . 2]" 1
849 1 55 LEU MD2 1 90 LEU MD1 2.875 . 3.950 3.866 3.530 3.990 0.040 4 0 "[ . 1 . 2]" 1
850 1 55 LEU MD2 1 61 ILE MD 2.990 . 4.180 3.801 3.613 3.995 . 0 0 "[ . 1 . 2]" 1
851 1 40 ILE MG 1 55 LEU MD2 2.660 . 3.520 3.182 2.989 3.399 . 0 0 "[ . 1 . 2]" 1
852 1 10 ILE HB 1 90 LEU MD1 3.085 . 4.370 2.242 2.026 2.503 . 0 0 "[ . 1 . 2]" 1
853 1 55 LEU HB3 1 55 LEU MD1 2.730 . 3.660 3.046 2.843 3.145 . 0 0 "[ . 1 . 2]" 1
854 1 55 LEU HB2 1 55 LEU MD1 2.810 . 3.820 2.190 2.160 2.221 . 0 0 "[ . 1 . 2]" 1
855 1 55 LEU MD1 1 90 LEU MD1 2.835 . 3.870 2.890 2.161 3.813 . 0 0 "[ . 1 . 2]" 1
856 1 55 LEU MD1 1 61 ILE MD 2.700 . 3.600 3.176 2.750 3.610 0.010 20 0 "[ . 1 . 2]" 1
857 1 55 LEU MD1 1 90 LEU MD2 2.835 . 3.870 2.435 2.056 2.799 . 0 0 "[ . 1 . 2]" 1
858 1 55 LEU MD1 1 56 ARG H 3.000 . 4.200 3.767 3.505 4.163 . 0 0 "[ . 1 . 2]" 1
859 1 81 LEU H 1 81 LEU MD1 2.930 . 4.060 3.490 2.962 4.185 0.125 13 0 "[ . 1 . 2]" 1
860 1 21 PHE QE 1 55 LEU MD1 3.005 . 4.210 4.141 3.894 4.259 0.049 4 0 "[ . 1 . 2]" 1
861 1 81 LEU HA 1 81 LEU MD1 2.835 . 3.870 3.849 2.967 3.946 0.076 1 0 "[ . 1 . 2]" 1
862 1 55 LEU HA 1 55 LEU MD1 2.885 . 3.970 3.113 2.896 3.450 . 0 0 "[ . 1 . 2]" 1
863 1 81 LEU HB2 1 81 LEU MD1 2.810 . 3.820 2.305 2.080 3.093 . 0 0 "[ . 1 . 2]" 1
864 1 62 LEU HA 1 62 LEU MD2 3.030 . 4.260 3.814 3.804 3.833 . 0 0 "[ . 1 . 2]" 1
865 1 62 LEU HB3 1 62 LEU MD2 2.575 . 3.350 2.297 2.233 2.339 . 0 0 "[ . 1 . 2]" 1
866 1 62 LEU MD2 1 93 MET HB3 2.815 . 3.830 2.031 1.993 2.108 . 0 0 "[ . 1 . 2]" 1
867 1 80 ALA MB 1 81 LEU MD1 3.455 . 5.110 4.063 3.566 4.639 . 0 0 "[ . 1 . 2]" 1
868 1 15 GLY H 1 19 LEU MD1 2.960 . 4.120 2.840 1.644 4.142 0.022 7 0 "[ . 1 . 2]" 1
869 1 81 LEU HA 1 81 LEU MD2 2.835 . 3.870 2.673 2.436 2.891 . 0 0 "[ . 1 . 2]" 1
870 1 81 LEU HB2 1 81 LEU MD2 2.810 . 3.820 3.176 2.879 3.295 . 0 0 "[ . 1 . 2]" 1
871 1 19 LEU MD1 1 49 ALA MB 3.540 . 5.280 4.235 3.141 5.308 0.028 3 0 "[ . 1 . 2]" 1
872 1 19 LEU HB2 1 19 LEU MD1 2.660 . 3.520 2.580 2.022 3.232 . 0 0 "[ . 1 . 2]" 1
873 1 62 LEU HB2 1 62 LEU MD2 2.885 . 3.970 3.198 3.151 3.229 . 0 0 "[ . 1 . 2]" 1
874 1 12 LEU HG 1 49 ALA MB 2.830 . 3.860 3.237 2.548 3.951 0.091 11 0 "[ . 1 . 2]" 1
875 1 90 LEU HB3 1 90 LEU MD2 2.660 . 3.520 2.527 2.026 3.098 . 0 0 "[ . 1 . 2]" 1
876 1 90 LEU HB2 1 90 LEU MD2 2.660 . 3.520 2.303 1.955 2.632 . 0 0 "[ . 1 . 2]" 1
877 1 12 LEU HB3 1 19 LEU MD1 2.970 . 4.140 3.199 2.167 4.193 0.053 3 0 "[ . 1 . 2]" 1
878 1 12 LEU HG 1 21 PHE QE 3.365 . 4.930 4.252 3.323 5.070 0.140 17 0 "[ . 1 . 2]" 1
879 1 10 ILE HB 1 90 LEU MD2 3.085 . 4.370 3.067 1.931 4.040 . 0 0 "[ . 1 . 2]" 1
880 1 4 GLU HA 1 96 LYS QD 3.230 . 4.660 3.987 2.447 4.763 0.103 17 0 "[ . 1 . 2]" 1
881 1 82 LYS H 1 82 LYS HB3 2.955 . 4.110 3.666 3.580 3.800 . 0 0 "[ . 1 . 2]" 1
882 1 51 GLN HA 1 51 GLN HG2 2.825 . 3.850 2.620 2.553 2.777 . 0 0 "[ . 1 . 2]" 1
883 1 51 GLN HA 1 51 GLN HG3 2.825 . 3.850 3.471 3.321 3.866 0.016 4 0 "[ . 1 . 2]" 1
884 1 83 GLU HA 1 83 GLU HG2 2.860 . 3.920 2.650 2.072 3.956 0.036 13 0 "[ . 1 . 2]" 1
885 1 83 GLU HA 1 83 GLU HG3 2.860 . 3.920 3.062 2.706 3.913 . 0 0 "[ . 1 . 2]" 1
886 1 83 GLU H 1 83 GLU HG3 2.965 . 4.130 3.199 2.840 4.061 . 0 0 "[ . 1 . 2]" 1
887 1 4 GLU HA 1 4 GLU HG3 2.865 . 3.930 3.667 3.119 3.975 0.045 12 0 "[ . 1 . 2]" 1
888 1 62 LEU HB3 1 93 MET HB3 2.875 . 3.950 4.008 3.969 4.049 0.099 14 0 "[ . 1 . 2]" 1
889 1 40 ILE MD 1 55 LEU MD1 2.630 . 3.460 2.541 2.265 3.015 . 0 0 "[ . 1 . 2]" 1
890 1 23 ILE MD 1 78 VAL MG2 2.540 . 3.280 2.380 2.262 2.515 . 0 0 "[ . 1 . 2]" 1
891 1 11 THR MG 1 87 ILE MG 2.410 . 3.020 2.505 2.342 2.826 . 0 0 "[ . 1 . 2]" 1
892 1 40 ILE MG 1 43 ILE HG13 2.915 . 4.030 3.787 3.643 3.861 . 0 0 "[ . 1 . 2]" 1
893 1 43 ILE HG13 1 43 ILE MG 2.770 . 3.740 2.358 2.326 2.398 . 0 0 "[ . 1 . 2]" 1
894 1 76 ALA MB 1 77 ALA MB 3.030 . 4.260 3.942 3.889 4.039 . 0 0 "[ . 1 . 2]" 1
895 1 64 VAL MG1 1 81 LEU MD1 2.770 . 3.740 3.162 2.836 3.871 0.131 3 0 "[ . 1 . 2]" 1
896 1 64 VAL MG1 1 81 LEU MD2 2.770 . 3.740 2.546 1.780 3.762 0.022 15 0 "[ . 1 . 2]" 1
897 1 64 VAL MG2 1 81 LEU MD1 2.770 . 3.740 3.394 2.804 3.826 0.086 10 0 "[ . 1 . 2]" 1
898 1 64 VAL MG2 1 81 LEU MD2 2.770 . 3.740 2.838 2.031 3.719 . 0 0 "[ . 1 . 2]" 1
899 1 90 LEU MD1 1 92 VAL MG1 3.015 . 4.230 3.198 2.185 4.392 0.162 7 0 "[ . 1 . 2]" 1
900 1 61 ILE HG13 1 92 VAL MG1 3.205 . 4.610 2.785 2.634 2.902 . 0 0 "[ . 1 . 2]" 1
901 1 4 GLU HA 1 4 GLU HG2 2.865 . 3.930 3.320 2.675 3.823 . 0 0 "[ . 1 . 2]" 1
902 1 8 GLU HA 1 8 GLU HG2 2.985 . 4.170 3.258 2.471 4.015 . 0 0 "[ . 1 . 2]" 1
903 1 8 GLU HA 1 8 GLU HG3 2.985 . 4.170 2.835 2.471 3.179 . 0 0 "[ . 1 . 2]" 1
904 1 8 GLU HG2 1 10 ILE MD 3.305 . 4.810 3.565 3.013 4.309 . 0 0 "[ . 1 . 2]" 1
905 1 10 ILE MD 1 55 LEU HB2 3.075 . 4.350 2.816 2.612 2.974 . 0 0 "[ . 1 . 2]" 1
906 1 10 ILE MD 1 90 LEU MD1 3.140 . 4.480 2.920 2.287 3.639 . 0 0 "[ . 1 . 2]" 1
907 1 11 THR HA 1 12 LEU HB2 3.225 . 4.650 4.385 4.149 4.506 . 0 0 "[ . 1 . 2]" 1
908 1 10 ILE MG 1 11 THR HA 3.140 . 4.480 3.932 3.838 4.029 . 0 0 "[ . 1 . 2]" 1
909 1 11 THR MG 1 89 ARG HA 3.045 . 4.290 3.165 2.938 3.357 . 0 0 "[ . 1 . 2]" 1
910 1 11 THR MG 1 89 ARG HD2 3.650 . 5.500 3.691 2.496 4.164 . 0 0 "[ . 1 . 2]" 1
911 1 11 THR MG 1 89 ARG HD3 3.650 . 5.500 3.201 2.751 4.456 . 0 0 "[ . 1 . 2]" 1
912 1 11 THR MG 1 89 ARG HB2 3.030 . 4.260 3.108 1.957 3.485 . 0 0 "[ . 1 . 2]" 1
913 1 11 THR MG 1 90 LEU H 3.280 . 4.760 4.654 4.262 4.843 0.083 8 0 "[ . 1 . 2]" 1
914 1 10 ILE MG 1 12 LEU HB2 3.360 . 4.920 4.463 3.244 4.823 . 0 0 "[ . 1 . 2]" 1
915 1 10 ILE MG 1 12 LEU HG 3.205 . 4.610 3.818 2.554 4.663 0.053 13 0 "[ . 1 . 2]" 1
916 1 14 ARG HA 1 19 LEU HG 3.230 . 4.660 3.659 2.405 4.464 . 0 0 "[ . 1 . 2]" 1
917 1 86 SER HB2 1 87 ILE H 3.155 . 4.510 3.819 2.888 4.250 . 0 0 "[ . 1 . 2]" 1
918 1 86 SER HB3 1 87 ILE H 3.155 . 4.510 3.440 2.806 4.095 . 0 0 "[ . 1 . 2]" 1
919 1 63 PHE HB3 1 67 VAL HA 3.475 . 5.150 5.028 4.708 5.245 0.095 10 0 "[ . 1 . 2]" 1
920 1 75 SER QB 1 78 VAL HB 3.190 . 4.580 4.527 4.288 4.647 0.067 3 0 "[ . 1 . 2]" 1
921 1 19 LEU HA 1 19 LEU HG 2.875 . 3.950 3.330 2.729 3.878 . 0 0 "[ . 1 . 2]" 1
922 1 19 LEU HA 1 19 LEU MD1 2.880 . 3.960 3.271 2.325 3.985 0.025 7 0 "[ . 1 . 2]" 1
923 1 19 LEU HA 1 19 LEU MD2 2.880 . 3.960 2.909 2.423 3.535 . 0 0 "[ . 1 . 2]" 1
924 1 19 LEU MD2 1 20 GLY H 3.545 . 5.290 4.479 3.283 5.257 . 0 0 "[ . 1 . 2]" 1
925 1 21 PHE HA 1 43 ILE HA 3.045 . 4.290 2.514 2.417 2.811 . 0 0 "[ . 1 . 2]" 1
926 1 21 PHE HA 1 44 ILE MG 3.650 . 5.500 5.567 5.521 5.609 0.109 11 0 "[ . 1 . 2]" 1
927 1 21 PHE HA 1 43 ILE MG 3.145 . 4.490 4.582 4.554 4.695 0.205 16 0 "[ . 1 . 2]" 1
928 1 21 PHE HA 1 40 ILE MG 3.530 . 5.260 4.755 4.621 5.018 . 0 0 "[ . 1 . 2]" 1
929 1 21 PHE HA 1 44 ILE MD 3.605 . 5.410 2.602 2.479 2.671 . 0 0 "[ . 1 . 2]" 1
930 1 22 SER HB2 2 6 ILE MD 2.940 . 4.080 2.831 2.505 3.145 . 0 0 "[ . 1 . 2]" 1
931 1 22 SER HB3 2 6 ILE MD 2.940 . 4.080 2.684 2.393 3.002 . 0 0 "[ . 1 . 2]" 1
932 1 23 ILE HA 2 6 ILE MD 2.885 . 3.970 2.679 2.423 2.915 . 0 0 "[ . 1 . 2]" 1
933 1 24 ALA HA 2 6 ILE MD 2.950 . 4.100 3.319 3.069 3.570 . 0 0 "[ . 1 . 2]" 1
934 1 24 ALA MB 2 6 ILE MD 2.680 . 3.560 2.068 1.709 2.602 . 0 0 "[ . 1 . 2]" 1
935 1 27 THR HA 1 36 PRO HA 3.175 . 4.550 3.613 2.854 4.589 0.039 6 0 "[ . 1 . 2]" 1
936 1 29 ASN HA 1 30 PRO HD2 2.910 . 4.020 2.916 2.620 3.038 . 0 0 "[ . 1 . 2]" 1
937 1 29 ASN HA 1 30 PRO HD3 2.910 . 4.020 2.364 2.267 2.894 . 0 0 "[ . 1 . 2]" 1
938 1 30 PRO HB3 1 34 ASP HA 3.380 . 4.960 2.319 1.943 2.552 . 0 0 "[ . 1 . 2]" 1
939 1 29 ASN H 1 30 PRO HD2 3.650 . 5.500 5.561 5.329 5.602 0.102 6 0 "[ . 1 . 2]" 1
940 1 29 ASN H 1 30 PRO HD3 3.650 . 5.500 4.639 4.331 5.501 0.001 12 0 "[ . 1 . 2]" 1
941 1 32 ILE HA 1 32 ILE MG 2.730 . 3.660 3.156 2.254 3.456 . 0 0 "[ . 1 . 2]" 1
942 1 30 PRO HB2 1 34 ASP HA 2.945 . 4.090 3.939 3.597 4.204 0.114 1 0 "[ . 1 . 2]" 1
943 1 27 THR MG 1 36 PRO HA 3.635 . 5.470 3.774 3.177 4.240 . 0 0 "[ . 1 . 2]" 1
944 1 38 ILE HA 1 38 ILE MG 2.925 . 4.050 2.582 2.554 2.612 . 0 0 "[ . 1 . 2]" 1
945 1 9 GLU HA 1 91 TYR HA 3.110 . 4.420 2.783 2.729 2.824 . 0 0 "[ . 1 . 2]" 1
946 1 9 GLU HB3 1 91 TYR HA 3.110 . 4.420 4.005 3.921 4.092 . 0 0 "[ . 1 . 2]" 1
947 1 91 TYR HA 1 92 VAL MG1 3.055 . 4.310 3.934 3.882 3.978 . 0 0 "[ . 1 . 2]" 1
948 1 91 TYR HA 1 92 VAL MG2 3.325 . 4.850 3.947 3.898 4.009 . 0 0 "[ . 1 . 2]" 1
949 1 12 LEU QD 1 52 ASP HB3 3.115 . 4.430 4.368 4.079 4.465 0.035 19 0 "[ . 1 . 2]" 1
950 1 23 ILE MG 1 40 ILE HA 3.260 . 4.720 2.675 2.451 3.219 . 0 0 "[ . 1 . 2]" 1
951 1 40 ILE HA 1 40 ILE MG 2.965 . 4.130 2.534 2.514 2.558 . 0 0 "[ . 1 . 2]" 1
952 1 41 THR HA 1 57 VAL QG 3.050 . 3.560 2.538 2.335 2.853 . 0 0 "[ . 1 . 2]" 1
953 1 42 LYS HA 1 42 LYS QD 2.995 . 4.190 3.208 2.710 3.569 . 0 0 "[ . 1 . 2]" 1
954 1 42 LYS QE 1 44 ILE HA 3.075 . 4.350 4.271 3.931 4.393 0.043 9 0 "[ . 1 . 2]" 1
955 1 42 LYS HB2 1 42 LYS QE 3.040 . 4.280 4.158 3.884 4.327 0.047 9 0 "[ . 1 . 2]" 1
956 1 42 LYS HB3 1 42 LYS QE 3.040 . 4.280 4.052 3.931 4.286 0.006 16 0 "[ . 1 . 2]" 1
957 1 42 LYS QE 1 44 ILE MD 2.975 . 4.150 2.975 2.250 3.691 . 0 0 "[ . 1 . 2]" 1
958 1 42 LYS QE 1 44 ILE MG 3.505 . 5.210 5.001 4.601 5.281 0.071 4 0 "[ . 1 . 2]" 1
959 1 42 LYS QD 1 43 ILE HA 3.300 . 4.800 3.875 3.682 4.058 . 0 0 "[ . 1 . 2]" 1
960 1 43 ILE HG13 1 57 VAL QG 2.660 . 3.520 2.853 2.642 2.956 . 0 0 "[ . 1 . 2]" 1
961 1 44 ILE MD 1 44 ILE MG 2.565 . 3.330 3.165 3.086 3.270 . 0 0 "[ . 1 . 2]" 1
962 1 45 PRO HA 1 50 ALA MB 2.885 . 3.970 4.012 3.996 4.030 0.060 19 0 "[ . 1 . 2]" 1
963 1 48 ALA HA 1 51 GLN QB 2.825 . 3.850 3.867 3.819 3.922 0.072 20 0 "[ . 1 . 2]" 1
964 1 43 ILE MG 1 50 ALA HA 2.775 . 3.750 3.795 3.747 3.832 0.082 20 0 "[ . 1 . 2]" 1
965 1 12 LEU QD 1 48 ALA MB 2.780 . 3.760 2.848 2.435 3.101 . 0 0 "[ . 1 . 2]" 1
966 1 48 ALA MB 1 51 GLN QB 3.495 . 5.190 5.179 5.144 5.213 0.023 20 0 "[ . 1 . 2]" 1
967 1 12 LEU HG 1 49 ALA HA 3.050 . 4.300 3.962 3.401 4.341 0.041 12 0 "[ . 1 . 2]" 1
968 1 12 LEU QD 1 49 ALA HA 3.140 . 4.480 2.073 1.961 2.188 . 0 0 "[ . 1 . 2]" 1
969 1 12 LEU QD 1 49 ALA MB 2.565 . 3.330 2.304 1.975 2.695 . 0 0 "[ . 1 . 2]" 1
970 1 10 ILE MG 1 49 ALA MB 3.215 . 4.630 4.419 4.149 4.680 0.050 13 0 "[ . 1 . 2]" 1
971 1 19 LEU MD2 1 49 ALA MB 3.540 . 5.280 4.255 3.061 5.323 0.043 11 0 "[ . 1 . 2]" 1
972 1 44 ILE MD 1 50 ALA MB 3.525 . 5.250 5.290 5.201 5.334 0.084 18 0 "[ . 1 . 2]" 1
973 1 49 ALA MB 1 55 LEU MD1 2.945 . 4.090 3.992 3.648 4.122 0.032 18 0 "[ . 1 . 2]" 1
974 1 49 ALA MB 1 55 LEU MD2 2.810 . 3.820 2.310 2.214 2.413 . 0 0 "[ . 1 . 2]" 1
975 1 50 ALA MB 1 51 GLN HG2 3.100 . 4.400 3.901 3.239 4.139 . 0 0 "[ . 1 . 2]" 1
976 1 50 ALA MB 1 51 GLN HA 3.105 . 4.410 4.228 4.181 4.264 . 0 0 "[ . 1 . 2]" 1
977 1 10 ILE MD 1 55 LEU HA 2.910 . 4.020 3.377 3.154 3.689 . 0 0 "[ . 1 . 2]" 1
978 1 55 LEU HA 1 55 LEU MD2 2.885 . 3.970 3.968 3.860 3.999 0.029 14 0 "[ . 1 . 2]" 1
979 1 10 ILE MD 1 55 LEU HB3 3.220 . 4.640 4.210 4.069 4.382 . 0 0 "[ . 1 . 2]" 1
980 1 49 ALA MB 1 55 LEU HB3 3.245 . 4.690 2.481 2.214 2.698 . 0 0 "[ . 1 . 2]" 1
981 1 55 LEU MD1 1 92 VAL MG1 2.770 . 3.740 2.160 2.038 2.281 . 0 0 "[ . 1 . 2]" 1
982 1 87 ILE H 1 87 ILE HG13 3.235 . 4.670 4.602 4.444 4.699 0.029 13 0 "[ . 1 . 2]" 1
983 1 55 LEU HG 1 56 ARG HA 3.310 . 4.820 4.217 4.133 4.339 . 0 0 "[ . 1 . 2]" 1
984 1 65 ASN HA 1 89 ARG HD2 3.650 . 5.500 5.076 4.441 5.426 . 0 0 "[ . 1 . 2]" 1
985 1 65 ASN HA 1 89 ARG HD3 3.650 . 5.500 5.117 3.925 5.528 0.028 9 0 "[ . 1 . 2]" 1
986 1 57 VAL HA 1 58 ASN HA 3.300 . 4.800 4.768 4.692 4.802 0.002 6 0 "[ . 1 . 2]" 1
987 1 65 ASN HA 1 89 ARG HB3 3.535 . 5.270 4.746 2.555 5.123 . 0 0 "[ . 1 . 2]" 1
988 1 4 GLU H 1 4 GLU HG2 3.110 . 4.420 3.333 2.589 4.412 . 0 0 "[ . 1 . 2]" 1
989 1 4 GLU H 1 4 GLU HG3 3.110 . 4.420 3.449 2.974 4.438 0.018 12 0 "[ . 1 . 2]" 1
990 1 61 ILE HA 1 61 ILE MG 2.805 . 3.810 2.537 2.458 2.660 . 0 0 "[ . 1 . 2]" 1
991 1 74 HIS HA 1 77 ALA MB 3.025 . 4.250 3.160 2.875 3.452 . 0 0 "[ . 1 . 2]" 1
992 1 75 SER HA 1 78 VAL HB 2.910 . 4.020 2.654 2.509 2.749 . 0 0 "[ . 1 . 2]" 1
993 1 61 ILE HB 1 61 ILE MD 2.925 . 4.050 2.539 2.489 2.603 . 0 0 "[ . 1 . 2]" 1
994 1 61 ILE MD 1 61 ILE MG 2.440 . 3.080 2.405 2.364 2.445 . 0 0 "[ . 1 . 2]" 1
995 1 61 ILE MG 1 62 LEU MD2 3.330 . 4.860 4.119 4.032 4.222 . 0 0 "[ . 1 . 2]" 1
996 1 62 LEU MD2 1 92 VAL MG1 3.650 . 5.500 4.429 4.379 4.465 . 0 0 "[ . 1 . 2]" 1
997 1 62 LEU MD2 1 92 VAL MG2 3.605 . 5.410 4.533 4.516 4.558 . 0 0 "[ . 1 . 2]" 1
998 1 62 LEU MD1 1 63 PHE QD 3.450 . 5.100 2.244 2.170 2.309 . 0 0 "[ . 1 . 2]" 1
999 1 64 VAL HA 1 64 VAL MG1 2.830 . 3.860 2.706 2.267 3.418 . 0 0 "[ . 1 . 2]" 1
1000 1 79 GLU QG 1 82 LYS HB2 3.590 . 5.380 4.136 3.757 4.537 . 0 0 "[ . 1 . 2]" 1
1001 1 79 GLU HA 1 82 LYS HB2 3.040 . 4.280 2.749 2.239 3.163 . 0 0 "[ . 1 . 2]" 1
1002 1 65 ASN HA 1 89 ARG HB2 3.535 . 5.270 4.581 4.169 4.882 . 0 0 "[ . 1 . 2]" 1
1003 1 65 ASN HB2 1 67 VAL QG 2.660 . 3.520 2.387 1.971 3.236 . 0 0 "[ . 1 . 2]" 1
1004 1 64 VAL MG1 1 65 ASN H 3.120 . 4.440 3.219 2.501 4.109 . 0 0 "[ . 1 . 2]" 1
1005 1 40 ILE MD 1 92 VAL MG1 2.720 . 3.640 3.336 3.219 3.449 . 0 0 "[ . 1 . 2]" 1
1006 1 69 VAL HA 1 72 VAL MG1 2.950 . 4.100 2.210 2.049 2.877 . 0 0 "[ . 1 . 2]" 1
1007 1 69 VAL MG2 1 77 ALA MB 3.060 . 4.320 3.297 2.347 4.176 . 0 0 "[ . 1 . 2]" 1
1008 1 38 ILE HG12 1 69 VAL MG2 2.660 . 3.520 2.526 1.946 3.702 0.182 10 0 "[ . 1 . 2]" 1
1009 1 78 VAL MG1 1 82 LYS HA 3.515 . 5.230 5.192 4.981 5.297 0.067 17 0 "[ . 1 . 2]" 1
1010 1 82 LYS HA 2 9 VAL QG 3.625 . 5.450 4.051 3.757 4.481 . 0 0 "[ . 1 . 2]" 1
1011 1 79 GLU HB2 1 80 ALA HA 3.650 . 5.500 5.073 5.002 5.169 . 0 0 "[ . 1 . 2]" 1
1012 1 79 GLU HB3 1 80 ALA HA 3.650 . 5.500 4.779 4.512 4.896 . 0 0 "[ . 1 . 2]" 1
1013 1 96 LYS HA 1 96 LYS QG 2.825 . 3.850 3.115 2.409 3.651 . 0 0 "[ . 1 . 2]" 1
1014 1 72 VAL HA 1 72 VAL MG2 2.885 . 3.970 3.439 3.421 3.461 . 0 0 "[ . 1 . 2]" 1
1015 1 72 VAL HA 1 72 VAL MG1 2.885 . 3.970 2.661 2.616 2.687 . 0 0 "[ . 1 . 2]" 1
1016 1 72 VAL HA 1 76 ALA MB 2.970 . 4.140 3.820 3.656 4.026 . 0 0 "[ . 1 . 2]" 1
1017 1 10 ILE MG 1 55 LEU MD2 3.505 . 5.210 4.823 4.414 5.224 0.014 19 0 "[ . 1 . 2]" 1
1018 1 87 ILE MG 1 88 VAL HB 3.650 . 5.500 5.464 5.048 5.710 0.210 14 0 "[ . 1 . 2]" 1
1019 1 73 THR MG 1 75 SER H 3.135 . 4.470 4.591 4.574 4.607 0.137 9 0 "[ . 1 . 2]" 1
1020 1 27 THR MG 1 28 ASP HA 3.650 . 5.500 5.588 5.554 5.617 0.117 16 0 "[ . 1 . 2]" 1
1021 1 38 ILE MD 1 74 HIS HA 3.115 . 4.430 4.324 3.917 4.510 0.080 12 0 "[ . 1 . 2]" 1
1022 1 75 SER QB 1 77 ALA H 3.650 . 5.500 5.055 4.906 5.306 . 0 0 "[ . 1 . 2]" 1
1023 1 75 SER QB 1 78 VAL H 3.650 . 5.500 5.157 5.089 5.259 . 0 0 "[ . 1 . 2]" 1
1024 1 76 ALA HA 1 79 GLU QG 3.120 . 4.440 3.957 3.584 4.209 . 0 0 "[ . 1 . 2]" 1
1025 1 76 ALA HA 1 79 GLU H 3.105 . 4.410 3.959 3.673 4.144 . 0 0 "[ . 1 . 2]" 1
1026 1 72 VAL MG1 1 76 ALA MB 2.685 . 3.570 3.023 2.818 3.237 . 0 0 "[ . 1 . 2]" 1
1027 1 76 ALA H 1 77 ALA MB 3.120 . 4.440 4.440 4.235 4.526 0.086 1 0 "[ . 1 . 2]" 1
1028 1 40 ILE MG 1 59 ASP H 3.150 . 4.500 4.619 4.580 4.672 0.172 16 0 "[ . 1 . 2]" 1
1029 1 24 ALA H 1 38 ILE MG 3.145 . 4.490 3.768 3.608 3.981 . 0 0 "[ . 1 . 2]" 1
1030 1 23 ILE MG 1 77 ALA MB 3.470 . 5.140 5.068 4.587 5.192 0.052 4 0 "[ . 1 . 2]" 1
1031 1 38 ILE HG13 1 77 ALA MB 3.650 . 5.500 2.495 2.271 2.821 . 0 0 "[ . 1 . 2]" 1
1032 1 72 VAL MG2 1 77 ALA MB 3.095 . 4.390 2.303 2.133 2.409 . 0 0 "[ . 1 . 2]" 1
1033 1 77 ALA MB 1 80 ALA MB 3.095 . 4.390 4.289 4.111 4.417 0.027 17 0 "[ . 1 . 2]" 1
1034 1 78 VAL HA 1 81 LEU HB2 3.210 . 4.620 3.048 2.838 3.223 . 0 0 "[ . 1 . 2]" 1
1035 1 77 ALA MB 1 78 VAL HA 3.135 . 4.470 4.292 4.185 4.444 . 0 0 "[ . 1 . 2]" 1
1036 1 78 VAL HA 1 78 VAL MG1 2.695 . 3.590 2.686 2.640 2.728 . 0 0 "[ . 1 . 2]" 1
1037 1 77 ALA MB 1 78 VAL MG2 2.970 . 4.140 3.423 3.304 3.656 . 0 0 "[ . 1 . 2]" 1
1038 1 79 GLU HA 1 79 GLU QG 2.735 . 3.670 2.374 2.226 2.587 . 0 0 "[ . 1 . 2]" 1
1039 1 79 GLU HA 1 82 LYS H 3.095 . 4.390 3.305 3.131 3.514 . 0 0 "[ . 1 . 2]" 1
1040 1 80 ALA MB 1 81 LEU MD2 3.455 . 5.110 3.707 2.282 4.590 . 0 0 "[ . 1 . 2]" 1
1041 1 81 LEU HA 1 81 LEU HG 3.015 . 4.230 3.155 2.648 4.038 . 0 0 "[ . 1 . 2]" 1
1042 1 82 LYS HA 1 82 LYS HG2 2.925 . 4.050 2.635 2.465 3.081 . 0 0 "[ . 1 . 2]" 1
1043 1 82 LYS HA 1 82 LYS HG3 2.925 . 4.050 3.171 2.991 4.009 . 0 0 "[ . 1 . 2]" 1
1044 1 79 GLU HA 1 82 LYS HB3 3.035 . 4.270 4.228 3.829 4.362 0.092 15 0 "[ . 1 . 2]" 1
1045 1 78 VAL MG1 1 82 LYS HD3 3.135 . 4.470 3.539 2.754 3.955 . 0 0 "[ . 1 . 2]" 1
1046 1 82 LYS HB3 1 82 LYS QE 3.045 . 4.290 3.713 2.627 4.262 . 0 0 "[ . 1 . 2]" 1
1047 1 87 ILE HA 1 87 ILE MG 3.020 . 4.240 2.732 2.671 2.801 . 0 0 "[ . 1 . 2]" 1
1048 1 88 VAL HA 1 88 VAL MG1 2.775 . 3.750 2.565 2.286 3.425 . 0 0 "[ . 1 . 2]" 1
1049 1 61 ILE MG 1 90 LEU HA 3.300 . 4.800 3.260 2.971 3.660 . 0 0 "[ . 1 . 2]" 1
1050 1 92 VAL MG2 1 93 MET HA 3.420 . 5.040 4.218 4.124 4.304 . 0 0 "[ . 1 . 2]" 1
1051 1 90 LEU HA 1 90 LEU MD2 3.225 . 4.650 3.972 3.860 4.093 . 0 0 "[ . 1 . 2]" 1
1052 1 90 LEU HA 1 90 LEU MD1 3.225 . 4.650 3.891 3.872 3.916 . 0 0 "[ . 1 . 2]" 1
1053 1 7 TYR HA 1 93 MET HA 3.075 . 4.350 2.924 2.877 2.974 . 0 0 "[ . 1 . 2]" 1
1054 1 55 LEU MD2 1 90 LEU MD2 2.875 . 3.950 3.343 2.926 3.660 . 0 0 "[ . 1 . 2]" 1
1055 1 10 ILE MD 1 90 LEU MD2 3.140 . 4.480 3.360 2.207 4.356 . 0 0 "[ . 1 . 2]" 1
1056 1 90 LEU MD2 1 92 VAL MG1 3.015 . 4.230 3.108 2.040 4.048 . 0 0 "[ . 1 . 2]" 1
1057 1 92 VAL HA 1 92 VAL MG1 2.775 . 3.750 2.525 2.500 2.547 . 0 0 "[ . 1 . 2]" 1
1058 1 10 ILE MD 1 92 VAL MG2 2.730 . 3.660 2.410 2.286 2.546 . 0 0 "[ . 1 . 2]" 1
1059 1 5 MET HA 1 95 ARG HA 3.125 . 4.450 3.427 2.495 4.378 . 0 0 "[ . 1 . 2]" 1
1060 1 7 TYR HA 1 7 TYR QE 3.385 . 4.970 4.977 4.971 4.988 0.018 13 0 "[ . 1 . 2]" 1
1061 1 7 TYR QE 1 93 MET HA 3.380 . 4.960 4.477 4.366 4.553 . 0 0 "[ . 1 . 2]" 1
1062 1 6 GLU HA 1 7 TYR QE 3.365 . 4.930 4.937 4.799 5.018 0.088 6 0 "[ . 1 . 2]" 1
1063 1 5 MET HG3 1 7 TYR QE 2.660 . 3.520 3.010 2.517 3.548 0.028 6 0 "[ . 1 . 2]" 1
1064 1 7 TYR QE 1 62 LEU HB3 2.990 . 4.180 4.235 4.199 4.267 0.087 2 0 "[ . 1 . 2]" 1
1065 1 7 TYR QE 1 93 MET HB3 2.680 . 3.560 2.813 2.702 2.998 . 0 0 "[ . 1 . 2]" 1
1066 1 7 TYR QE 1 62 LEU MD2 2.480 . 3.160 2.555 2.502 2.592 . 0 0 "[ . 1 . 2]" 1
1067 1 7 TYR QE 1 62 LEU MD1 2.890 . 3.980 2.097 2.071 2.129 . 0 0 "[ . 1 . 2]" 1
1068 1 91 TYR HA 1 91 TYR QE 3.165 . 4.530 4.557 4.537 4.576 0.046 20 0 "[ . 1 . 2]" 1
1069 1 9 GLU HA 1 91 TYR QE 2.985 . 4.170 4.250 4.231 4.274 0.104 19 0 "[ . 1 . 2]" 1
1070 1 9 GLU HB3 1 91 TYR QE 2.605 . 3.410 2.879 2.780 2.972 . 0 0 "[ . 1 . 2]" 1
1071 1 62 LEU HG 1 91 TYR QE 3.060 . 4.320 3.614 3.588 3.679 . 0 0 "[ . 1 . 2]" 1
1072 1 62 LEU HB2 1 91 TYR QE 3.650 . 5.500 5.543 5.521 5.566 0.066 19 0 "[ . 1 . 2]" 1
1073 1 62 LEU MD2 1 91 TYR QE 2.760 . 3.720 3.394 3.325 3.507 . 0 0 "[ . 1 . 2]" 1
1074 1 62 LEU MD1 1 91 TYR QE 2.975 . 4.150 2.469 2.422 2.520 . 0 0 "[ . 1 . 2]" 1
1075 1 91 TYR QE 1 92 VAL MG2 3.650 . 5.500 5.718 5.687 5.760 0.260 2 0 "[ . 1 . 2]" 1
1076 1 24 ALA MB 1 31 HIS HD2 2.935 . 4.070 4.106 3.843 4.259 0.189 2 0 "[ . 1 . 2]" 1
1077 1 31 HIS HD2 1 32 ILE MG 3.080 . 4.360 3.625 2.694 4.384 0.024 14 0 "[ . 1 . 2]" 1
1078 1 31 HIS HD2 1 32 ILE MD 2.830 . 3.860 3.810 2.668 4.062 0.202 9 0 "[ . 1 . 2]" 1
1079 1 63 PHE QE 1 68 ASP HA 3.005 . 4.210 2.962 2.685 3.081 . 0 0 "[ . 1 . 2]" 1
1080 1 63 PHE QE 1 68 ASP HB3 2.950 . 4.100 2.593 2.072 4.126 0.026 2 0 "[ . 1 . 2]" 1
1081 1 63 PHE QE 1 68 ASP HB2 2.950 . 4.100 3.443 2.345 4.239 0.139 12 0 "[ . 1 . 2]" 1
1082 1 62 LEU HB2 1 63 PHE QE 3.125 . 4.450 3.292 3.231 3.364 . 0 0 "[ . 1 . 2]" 1
1083 1 62 LEU MD2 1 63 PHE QE 3.650 . 5.500 4.830 4.768 4.876 . 0 0 "[ . 1 . 2]" 1
1084 1 62 LEU MD1 1 63 PHE QE 3.080 . 4.360 2.203 2.148 2.243 . 0 0 "[ . 1 . 2]" 1
1085 1 21 PHE QE 1 23 ILE HB 3.440 . 5.080 5.061 4.803 5.169 0.089 16 0 "[ . 1 . 2]" 1
1086 1 21 PHE QE 1 49 ALA MB 2.830 . 3.860 3.044 2.930 3.130 . 0 0 "[ . 1 . 2]" 1
1087 1 19 LEU MD1 1 21 PHE QE 2.880 . 3.960 3.431 2.182 4.012 0.052 10 0 "[ . 1 . 2]" 1
1088 1 21 PHE QE 1 40 ILE MD 3.030 . 4.260 3.465 3.272 3.688 . 0 0 "[ . 1 . 2]" 1
1089 1 21 PHE QE 1 55 LEU MD2 3.140 . 4.480 3.391 3.216 3.558 . 0 0 "[ . 1 . 2]" 1
1090 1 63 PHE HA 1 63 PHE QE 3.185 . 4.570 4.701 4.665 4.731 0.161 7 0 "[ . 1 . 2]" 1
1091 1 19 LEU HA 1 21 PHE QE 3.620 . 5.440 5.303 4.929 5.503 0.063 7 0 "[ . 1 . 2]" 1
1092 1 21 PHE QE 1 49 ALA HA 3.650 . 5.500 5.540 5.486 5.583 0.083 20 0 "[ . 1 . 2]" 1
1093 1 7 TYR QE 1 63 PHE QE 3.650 . 5.500 5.670 5.648 5.701 0.201 6 0 "[ . 1 . 2]" 1
1094 1 63 PHE HA 1 63 PHE QD 2.790 . 3.780 3.160 3.135 3.182 . 0 0 "[ . 1 . 2]" 1
1095 1 62 LEU HA 1 63 PHE QD 3.005 . 4.210 4.422 4.404 4.455 0.245 12 0 "[ . 1 . 2]" 1
1096 1 63 PHE QD 1 68 ASP HA 2.760 . 3.720 2.791 2.664 2.883 . 0 0 "[ . 1 . 2]" 1
1097 1 63 PHE QD 1 91 TYR HB3 3.035 . 4.270 3.851 3.779 3.924 . 0 0 "[ . 1 . 2]" 1
1098 1 62 LEU HB3 1 63 PHE QD 3.000 . 4.200 4.162 4.131 4.201 0.001 14 0 "[ . 1 . 2]" 1
1099 1 62 LEU HG 1 63 PHE QD 3.015 . 4.230 2.021 1.959 2.137 . 0 0 "[ . 1 . 2]" 1
1100 1 62 LEU HB2 1 63 PHE QD 2.785 . 3.770 2.846 2.792 2.907 . 0 0 "[ . 1 . 2]" 1
1101 1 62 LEU MD2 1 63 PHE QD 3.065 . 4.330 3.730 3.691 3.805 . 0 0 "[ . 1 . 2]" 1
1102 1 61 ILE MG 1 63 PHE QD 3.430 . 5.060 5.144 5.107 5.176 0.116 5 0 "[ . 1 . 2]" 1
1103 1 91 TYR HA 1 91 TYR QD 2.655 . 3.510 2.543 2.512 2.571 . 0 0 "[ . 1 . 2]" 1
1104 1 21 PHE HA 1 21 PHE QD 2.885 . 3.970 3.984 3.964 4.008 0.038 17 0 "[ . 1 . 2]" 1
1105 1 19 LEU HA 1 21 PHE QD 3.370 . 4.940 4.971 4.541 5.160 0.220 7 0 "[ . 1 . 2]" 1
1106 1 21 PHE QD 1 49 ALA MB 2.550 . 3.300 2.438 2.346 2.675 . 0 0 "[ . 1 . 2]" 1
1107 1 21 PHE QD 1 23 ILE MG 2.380 . 2.960 2.671 2.462 2.858 . 0 0 "[ . 1 . 2]" 1
1108 1 62 LEU MD1 1 91 TYR QD 2.810 . 3.820 2.946 2.905 2.999 . 0 0 "[ . 1 . 2]" 1
1109 1 21 PHE QD 1 43 ILE MD 2.820 . 3.840 3.778 3.528 3.861 0.021 6 0 "[ . 1 . 2]" 1
1110 1 21 PHE QD 1 55 LEU MD2 2.690 . 3.580 2.924 2.824 2.996 . 0 0 "[ . 1 . 2]" 1
1111 1 9 GLU HA 1 91 TYR QD 2.780 . 3.760 2.629 2.580 2.662 . 0 0 "[ . 1 . 2]" 1
1112 1 9 GLU HB3 1 91 TYR QD 2.500 . 3.200 2.048 1.992 2.098 . 0 0 "[ . 1 . 2]" 1
1113 1 62 LEU HG 1 91 TYR QD 2.955 . 4.110 2.297 2.268 2.317 . 0 0 "[ . 1 . 2]" 1
1114 1 62 LEU HB2 1 91 TYR QD 3.260 . 4.720 4.718 4.684 4.733 0.013 10 0 "[ . 1 . 2]" 1
1115 1 62 LEU MD2 1 91 TYR QD 2.670 . 3.540 3.087 3.014 3.228 . 0 0 "[ . 1 . 2]" 1
1116 1 7 TYR QD 1 93 MET HB3 2.550 . 3.300 3.013 2.902 3.259 . 0 0 "[ . 1 . 2]" 1
1117 1 7 TYR QD 1 62 LEU MD2 2.540 . 3.280 2.089 2.049 2.143 . 0 0 "[ . 1 . 2]" 1
1118 1 7 TYR QD 1 62 LEU MD1 3.040 . 4.280 2.900 2.849 2.934 . 0 0 "[ . 1 . 2]" 1
1119 1 7 TYR QD 1 92 VAL MG2 3.575 . 5.350 5.472 5.460 5.491 0.141 10 0 "[ . 1 . 2]" 1
1120 1 6 GLU HA 1 7 TYR QD 2.700 . 3.600 3.460 3.314 3.548 . 0 0 "[ . 1 . 2]" 1
1121 1 7 TYR HA 1 7 TYR QD 2.655 . 3.510 3.219 3.188 3.255 . 0 0 "[ . 1 . 2]" 1
1122 1 7 TYR QD 1 93 MET HA 2.865 . 3.930 3.421 3.294 3.488 . 0 0 "[ . 1 . 2]" 1
1123 1 6 GLU H 1 7 TYR QE 3.625 . 5.450 5.439 4.634 5.533 0.083 1 0 "[ . 1 . 2]" 1
1124 1 7 TYR H 1 7 TYR QE 3.275 . 4.750 4.793 4.749 4.820 0.070 18 0 "[ . 1 . 2]" 1
1125 1 5 MET H 1 7 TYR QE 3.650 . 5.500 5.137 4.183 5.516 0.016 14 0 "[ . 1 . 2]" 1
1126 1 91 TYR QE 1 92 VAL H 3.495 . 5.190 4.971 4.917 5.023 . 0 0 "[ . 1 . 2]" 1
1127 1 8 GLU H 1 91 TYR QE 3.115 . 4.430 4.300 4.235 4.350 . 0 0 "[ . 1 . 2]" 1
1128 1 9 GLU H 1 91 TYR QE 3.230 . 4.660 4.011 3.886 4.127 . 0 0 "[ . 1 . 2]" 1
1129 1 63 PHE H 1 91 TYR QE 3.650 . 5.500 5.580 5.551 5.610 0.110 8 0 "[ . 1 . 2]" 1
1130 1 7 TYR QD 1 91 TYR QE 2.915 . 4.030 3.709 3.622 3.763 . 0 0 "[ . 1 . 2]" 1
1131 1 31 HIS HD2 1 39 PHE QE 3.080 . 4.360 3.296 2.117 4.409 0.049 12 0 "[ . 1 . 2]" 1
1132 1 31 HIS HD2 1 39 PHE QD 2.890 . 3.980 2.669 1.860 4.025 0.045 11 0 "[ . 1 . 2]" 1
1133 1 21 PHE H 1 21 PHE QE 3.450 . 5.100 4.929 4.347 5.070 . 0 0 "[ . 1 . 2]" 1
1134 1 62 LEU H 1 63 PHE QD 3.165 . 4.530 4.572 4.551 4.601 0.071 11 0 "[ . 1 . 2]" 1
1135 1 63 PHE QD 1 64 VAL H 2.945 . 4.090 4.108 3.990 4.147 0.057 15 0 "[ . 1 . 2]" 1
1136 1 63 PHE QD 1 69 VAL H 2.925 . 4.050 4.030 3.833 4.106 0.056 15 0 "[ . 1 . 2]" 1
1137 1 21 PHE QD 1 22 SER H 2.830 . 3.860 3.674 3.551 3.796 . 0 0 "[ . 1 . 2]" 1
1138 1 39 PHE H 1 39 PHE QD 3.060 . 4.320 4.035 3.438 4.368 0.048 5 0 "[ . 1 . 2]" 1
1139 1 21 PHE QD 1 49 ALA H 3.215 . 4.630 4.150 3.962 4.321 . 0 0 "[ . 1 . 2]" 1
1140 1 63 PHE H 1 91 TYR QD 2.820 . 3.840 3.516 3.481 3.569 . 0 0 "[ . 1 . 2]" 1
1141 1 10 ILE H 1 91 TYR QD 3.210 . 4.620 4.552 4.469 4.623 0.003 11 0 "[ . 1 . 2]" 1
1142 1 91 TYR QD 1 92 VAL H 2.785 . 3.770 3.597 3.525 3.658 . 0 0 "[ . 1 . 2]" 1
1143 1 8 GLU H 1 91 TYR QD 3.325 . 4.850 4.639 4.555 4.714 . 0 0 "[ . 1 . 2]" 1
1144 1 6 GLU H 1 7 TYR QD 3.405 . 5.010 4.979 4.352 5.044 0.034 7 0 "[ . 1 . 2]" 1
1145 1 7 TYR QD 1 8 GLU H 2.890 . 3.980 4.048 4.023 4.068 0.088 11 0 "[ . 1 . 2]" 1
1146 1 7 TYR H 1 7 TYR QD 2.620 . 3.440 2.678 2.584 2.751 . 0 0 "[ . 1 . 2]" 1
1147 1 31 HIS HE1 1 41 THR MG 2.945 . 4.090 2.354 1.936 4.105 0.015 12 0 "[ . 1 . 2]" 1
1148 1 24 ALA MB 1 31 HIS HE1 3.325 . 4.850 3.379 2.780 3.713 . 0 0 "[ . 1 . 2]" 1
1149 1 23 ILE HB 2 6 ILE MD 3.120 . 4.440 4.582 4.552 4.636 0.196 7 0 "[ . 1 . 2]" 1
1150 1 23 ILE MD 2 9 VAL HB 2.770 . 3.740 3.912 3.873 3.960 0.220 19 0 "[ . 1 . 2]" 1
1151 1 23 ILE MG 2 6 ILE MD 2.590 . 3.380 3.854 3.717 4.318 0.938 11 4 "[ * * 1+ . -2]" 1
1152 1 23 ILE MG 2 8 SER QB 2.955 . 4.110 4.321 4.264 4.384 0.274 12 0 "[ . 1 . 2]" 1
1153 1 24 ALA MB 2 6 ILE QG 2.440 . 3.080 3.014 2.062 3.385 0.305 20 0 "[ . 1 . 2]" 1
1154 1 30 PRO HB2 2 3 SER HA 3.115 . 4.430 4.668 4.548 4.805 0.375 19 0 "[ . 1 . 2]" 1
1155 1 42 LYS HB2 2 6 ILE MD 2.890 . 3.980 3.361 2.658 3.987 0.007 10 0 "[ . 1 . 2]" 1
1156 1 42 LYS HB3 2 6 ILE MD 2.890 . 3.980 3.443 2.910 3.992 0.012 7 0 "[ . 1 . 2]" 1
1157 1 81 LEU HG 2 9 VAL HB 3.210 . 4.620 4.606 3.155 4.846 0.226 5 0 "[ . 1 . 2]" 1
1158 1 78 VAL HA 2 9 VAL HB 2.890 . 3.980 4.067 3.984 4.171 0.191 6 0 "[ . 1 . 2]" 1
1159 1 78 VAL MG1 2 9 VAL HB 2.665 . 3.530 3.478 3.212 3.559 0.029 14 0 "[ . 1 . 2]" 1
1160 1 78 VAL MG1 2 8 SER QB 2.695 . 3.590 3.674 3.634 3.733 0.143 11 0 "[ . 1 . 2]" 1
1161 1 78 VAL MG2 2 9 VAL HB 2.910 . 4.020 4.175 4.134 4.205 0.185 17 0 "[ . 1 . 2]" 1
1162 1 78 VAL MG2 2 8 SER QB 2.515 . 3.230 2.286 2.197 2.370 . 0 0 "[ . 1 . 2]" 1
1163 1 81 LEU HB3 2 9 VAL QG 3.435 . 5.070 3.071 2.712 3.530 . 0 0 "[ . 1 . 2]" 1
1164 2 2 VAL HA 2 3 SER H 2.670 . 3.540 3.190 1.714 3.663 0.123 4 0 "[ . 1 . 2]" 1
1165 2 1 VAL HA 2 3 SER H 2.935 . 4.070 4.182 3.979 4.326 0.256 16 0 "[ . 1 . 2]" 1
1166 2 1 VAL MG1 2 3 SER H 3.585 . 5.370 4.561 2.449 5.531 0.161 2 0 "[ . 1 . 2]" 1
1167 2 1 VAL MG2 2 3 SER H 3.585 . 5.370 4.520 2.686 5.456 0.086 15 0 "[ . 1 . 2]" 1
1168 2 2 VAL HB 2 3 SER H 3.505 . 5.210 4.363 3.848 4.710 . 0 0 "[ . 1 . 2]" 1
1169 2 1 VAL HB 2 3 SER H 3.650 . 5.500 4.908 3.084 5.787 0.287 19 0 "[ . 1 . 2]" 1
1170 2 6 ILE MD 2 6 ILE MG 2.520 . 3.240 2.991 2.429 3.353 0.113 4 0 "[ . 1 . 2]" 1
1171 2 6 ILE QG 2 6 ILE MG 2.450 . 3.100 2.267 2.008 2.727 . 0 0 "[ . 1 . 2]" 1
1172 1 21 PHE H 2 9 VAL HA 3.055 . 4.310 4.527 4.478 4.679 0.369 16 0 "[ . 1 . 2]" 1
1173 1 22 SER H 2 6 ILE MD 2.900 . 4.000 4.210 4.165 4.334 0.334 5 0 "[ . 1 . 2]" 1
1174 1 24 ALA H 2 6 ILE MD 2.760 . 3.720 2.950 2.825 3.125 . 0 0 "[ . 1 . 2]" 1
1175 1 41 THR H 2 6 ILE MD 2.885 . 3.970 3.682 3.248 4.083 0.113 5 0 "[ . 1 . 2]" 1
1176 1 42 LYS H 2 6 ILE MD 2.780 . 3.760 3.274 2.851 3.635 . 0 0 "[ . 1 . 2]" 1
1177 1 3 MET H 1 3 MET QB 2.740 . 3.680 2.799 2.372 3.505 . 0 0 "[ . 1 . 2]" 1
1178 1 3 MET H 1 3 MET QG 2.880 . 3.960 3.353 2.453 4.066 0.106 2 0 "[ . 1 . 2]" 1
1179 1 3 MET QB 1 4 GLU H 2.985 . 4.170 3.159 2.240 4.153 . 0 0 "[ . 1 . 2]" 1
1180 1 4 GLU H 1 4 GLU QB 2.480 . 3.160 2.986 2.540 3.305 0.145 5 0 "[ . 1 . 2]" 1
1181 1 4 GLU H 1 96 LYS QB 3.140 . 4.480 4.391 4.002 4.643 0.163 5 0 "[ . 1 . 2]" 1
1182 1 4 GLU HA 1 4 GLU QG 2.540 . 3.280 3.070 2.530 3.452 0.172 2 0 "[ . 1 . 2]" 1
1183 1 4 GLU QB 1 5 MET HG2 2.950 . 4.100 4.085 3.819 4.180 0.080 8 0 "[ . 1 . 2]" 1
1184 1 4 GLU QB 1 5 MET HG3 3.375 . 4.950 4.976 4.843 5.121 0.171 6 0 "[ . 1 . 2]" 1
1185 1 4 GLU QG 1 5 MET H 3.230 . 4.660 3.979 3.693 4.347 . 0 0 "[ . 1 . 2]" 1
1186 1 5 MET H 1 5 MET QB 2.475 . 3.150 2.927 2.360 3.142 . 0 0 "[ . 1 . 2]" 1
1187 1 5 MET QB 1 6 GLU H 2.630 . 3.460 2.375 2.245 2.679 . 0 0 "[ . 1 . 2]" 1
1188 1 6 GLU H 1 6 GLU QG 2.655 . 3.510 2.898 2.659 3.492 . 0 0 "[ . 1 . 2]" 1
1189 1 6 GLU QB 1 7 TYR H 2.795 . 3.790 3.234 3.127 3.371 . 0 0 "[ . 1 . 2]" 1
1190 1 6 GLU QG 1 96 LYS H 3.205 . 4.610 4.315 3.805 4.643 0.033 19 0 "[ . 1 . 2]" 1
1191 1 6 GLU QG 1 96 LYS HA 3.015 . 4.230 3.368 2.715 4.178 . 0 0 "[ . 1 . 2]" 1
1192 1 7 TYR H 1 7 TYR QB 2.565 . 3.330 2.629 2.595 2.656 . 0 0 "[ . 1 . 2]" 1
1193 1 7 TYR QB 1 8 GLU H 2.600 . 3.400 2.813 2.786 2.837 . 0 0 "[ . 1 . 2]" 1
1194 1 7 TYR QB 1 62 LEU MD1 3.005 . 4.210 4.283 4.260 4.328 0.118 17 0 "[ . 1 . 2]" 1
1195 1 7 TYR QB 1 91 TYR QE 2.945 . 4.090 3.045 2.979 3.127 . 0 0 "[ . 1 . 2]" 1
1196 1 8 GLU HA 1 9 GLU QG 3.250 . 4.700 4.102 3.979 4.160 . 0 0 "[ . 1 . 2]" 1
1197 1 8 GLU QG 1 9 GLU H 2.550 . 3.300 3.159 2.965 3.361 0.061 2 0 "[ . 1 . 2]" 1
1198 1 8 GLU QG 1 10 ILE MD 2.910 . 4.020 3.370 2.723 4.048 0.028 17 0 "[ . 1 . 2]" 1
1199 1 9 GLU H 1 9 GLU QG 2.460 . 3.120 2.505 2.455 2.559 . 0 0 "[ . 1 . 2]" 1
1200 1 9 GLU HA 1 90 LEU QD 3.045 . 4.290 4.351 4.238 4.417 0.127 19 0 "[ . 1 . 2]" 1
1201 1 10 ILE H 1 90 LEU QB 3.410 . 5.020 4.895 4.791 4.979 . 0 0 "[ . 1 . 2]" 1
1202 1 10 ILE H 1 90 LEU QD 3.105 . 4.410 2.988 2.845 3.092 . 0 0 "[ . 1 . 2]" 1
1203 1 10 ILE HB 1 90 LEU QD 2.755 . 3.710 1.981 1.870 2.096 . 0 0 "[ . 1 . 2]" 1
1204 1 10 ILE MG 1 53 GLY QA 2.745 . 3.690 2.987 2.640 3.581 . 0 0 "[ . 1 . 2]" 1
1205 1 10 ILE MG 1 54 ARG QB 3.490 . 5.180 4.183 2.685 4.565 . 0 0 "[ . 1 . 2]" 1
1206 1 10 ILE HG12 1 90 LEU QD 3.255 . 4.710 4.053 3.889 4.224 . 0 0 "[ . 1 . 2]" 1
1207 1 10 ILE MD 1 54 ARG QB 2.910 . 4.020 4.022 2.923 4.200 0.180 7 0 "[ . 1 . 2]" 1
1208 1 11 THR H 1 89 ARG QB 3.570 . 5.340 5.207 4.901 5.479 0.139 5 0 "[ . 1 . 2]" 1
1209 1 11 THR HA 1 90 LEU QD 3.420 . 5.040 4.163 3.382 4.828 . 0 0 "[ . 1 . 2]" 1
1210 1 11 THR MG 1 89 ARG QB 2.740 . 3.680 1.970 1.800 2.115 . 0 0 "[ . 1 . 2]" 1
1211 1 11 THR MG 1 89 ARG QG 3.045 . 4.290 3.550 2.462 3.897 . 0 0 "[ . 1 . 2]" 1
1212 1 11 THR MG 1 89 ARG QD 3.300 . 4.800 2.878 2.465 3.150 . 0 0 "[ . 1 . 2]" 1
1213 1 12 LEU H 1 89 ARG QB 3.420 . 5.040 4.416 4.037 4.790 . 0 0 "[ . 1 . 2]" 1
1214 1 12 LEU HB2 1 19 LEU QD 3.170 . 4.540 3.255 2.770 3.658 . 0 0 "[ . 1 . 2]" 1
1215 1 12 LEU HB2 1 90 LEU QD 3.485 . 5.170 3.387 2.808 3.945 . 0 0 "[ . 1 . 2]" 1
1216 1 12 LEU HB3 1 19 LEU QD 2.630 . 3.460 2.312 2.161 2.479 . 0 0 "[ . 1 . 2]" 1
1217 1 12 LEU HG 1 90 LEU QD 3.385 . 4.970 3.331 2.586 4.003 . 0 0 "[ . 1 . 2]" 1
1218 1 12 LEU QD 1 52 ASP QB 2.840 . 3.880 3.810 3.539 3.917 0.037 4 0 "[ . 1 . 2]" 1
1219 1 13 GLU H 1 13 GLU QB 2.445 . 3.090 2.721 2.137 3.106 0.016 13 0 "[ . 1 . 2]" 1
1220 1 13 GLU H 1 13 GLU QG 2.680 . 3.560 2.909 2.386 3.829 0.269 7 0 "[ . 1 . 2]" 1
1221 1 13 GLU QB 1 14 ARG H 2.695 . 3.590 3.151 2.788 3.708 0.118 7 0 "[ . 1 . 2]" 1
1222 1 13 GLU QB 1 14 ARG HA 3.535 . 5.270 4.910 4.667 5.214 . 0 0 "[ . 1 . 2]" 1
1223 1 13 GLU QB 1 87 ILE MG 3.570 . 5.340 5.106 4.197 5.450 0.110 5 0 "[ . 1 . 2]" 1
1224 1 13 GLU QB 1 87 ILE MD 2.585 . 3.370 2.942 1.980 3.362 . 0 0 "[ . 1 . 2]" 1
1225 1 13 GLU QG 1 14 ARG H 3.115 . 4.430 4.248 3.004 4.601 0.171 12 0 "[ . 1 . 2]" 1
1226 1 14 ARG H 1 14 ARG QB 2.475 . 3.150 2.265 2.194 2.415 . 0 0 "[ . 1 . 2]" 1
1227 1 14 ARG H 1 19 LEU QD 3.400 . 5.000 3.815 3.465 4.301 . 0 0 "[ . 1 . 2]" 1
1228 1 14 ARG H 1 88 VAL QG 3.015 . 4.230 3.912 3.545 4.290 0.060 12 0 "[ . 1 . 2]" 1
1229 1 14 ARG HA 1 19 LEU QB 3.300 . 4.800 4.685 4.191 4.856 0.056 14 0 "[ . 1 . 2]" 1
1230 1 14 ARG HA 1 19 LEU QD 2.730 . 3.660 2.118 1.782 2.491 . 0 0 "[ . 1 . 2]" 1
1231 1 14 ARG QB 1 86 SER H 2.895 . 3.990 3.705 3.055 4.020 0.030 14 0 "[ . 1 . 2]" 1
1232 1 14 ARG QB 1 86 SER HA 2.915 . 4.030 2.497 2.153 3.193 . 0 0 "[ . 1 . 2]" 1
1233 1 14 ARG QB 1 88 VAL H 3.295 . 4.790 4.546 3.828 4.926 0.136 12 0 "[ . 1 . 2]" 1
1234 1 15 GLY H 1 18 GLY QA 3.570 . 5.340 4.614 4.048 5.394 0.054 10 0 "[ . 1 . 2]" 1
1235 1 15 GLY H 1 19 LEU QB 2.890 . 3.980 4.088 3.563 4.244 0.264 12 0 "[ . 1 . 2]" 1
1236 1 15 GLY H 1 19 LEU QD 2.600 . 3.400 2.211 1.639 3.431 0.031 19 0 "[ . 1 . 2]" 1
1237 1 15 GLY QA 1 17 SER H 3.490 . 5.180 3.745 3.401 4.385 . 0 0 "[ . 1 . 2]" 1
1238 1 15 GLY QA 1 18 GLY H 3.280 . 4.760 3.363 2.355 3.868 . 0 0 "[ . 1 . 2]" 1
1239 1 18 GLY H 1 19 LEU QD 3.130 . 4.460 4.522 4.234 4.723 0.263 15 0 "[ . 1 . 2]" 1
1240 1 19 LEU HA 1 19 LEU QD 2.595 . 3.390 2.455 2.264 2.634 . 0 0 "[ . 1 . 2]" 1
1241 1 19 LEU HB3 1 19 LEU MD1 2.660 . 3.520 2.569 2.272 2.830 . 0 0 "[ . 1 . 2]" 1
1242 1 19 LEU QB 1 20 GLY H 3.060 . 4.320 3.103 2.494 3.585 . 0 0 "[ . 1 . 2]" 1
1243 1 19 LEU QB 1 21 PHE H 3.305 . 4.810 3.867 3.316 4.164 . 0 0 "[ . 1 . 2]" 1
1244 1 19 LEU QB 1 21 PHE QD 2.885 . 3.970 3.054 2.524 3.773 . 0 0 "[ . 1 . 2]" 1
1245 1 19 LEU QB 1 21 PHE QE 2.730 . 3.660 2.871 2.244 3.672 0.012 10 0 "[ . 1 . 2]" 1
1246 1 19 LEU QD 1 20 GLY H 3.220 . 4.640 4.037 3.238 4.641 0.001 4 0 "[ . 1 . 2]" 1
1247 1 19 LEU QD 1 21 PHE QE 2.355 . 2.910 2.878 2.170 3.096 0.186 16 0 "[ . 1 . 2]" 1
1248 1 19 LEU QD 1 49 ALA MB 3.150 . 4.500 3.490 3.040 3.938 . 0 0 "[ . 1 . 2]" 1
1249 1 19 LEU QD 1 88 VAL H 3.620 . 5.440 4.688 4.389 5.251 . 0 0 "[ . 1 . 2]" 1
1250 1 19 LEU QD 2 9 VAL HB 2.750 . 3.700 3.913 3.835 3.989 0.289 20 0 "[ . 1 . 2]" 1
1251 1 19 LEU QD 2 9 VAL QG 2.690 . 3.580 1.966 1.786 2.081 . 0 0 "[ . 1 . 2]" 1
1252 1 20 GLY QA 1 21 PHE QD 3.570 . 5.340 4.165 3.967 4.383 . 0 0 "[ . 1 . 2]" 1
1253 1 20 GLY QA 1 44 ILE H 3.260 . 4.720 3.798 3.490 4.403 . 0 0 "[ . 1 . 2]" 1
1254 1 20 GLY QA 1 44 ILE MG 2.825 . 3.850 2.991 2.828 3.259 . 0 0 "[ . 1 . 2]" 1
1255 1 20 GLY QA 1 44 ILE MD 2.895 . 3.990 2.510 2.056 3.013 . 0 0 "[ . 1 . 2]" 1
1256 1 21 PHE H 1 44 ILE QG 3.190 . 4.580 4.664 4.634 4.781 0.201 16 0 "[ . 1 . 2]" 1
1257 1 21 PHE HA 1 43 ILE QG 3.475 . 5.150 5.035 4.946 5.290 0.140 16 0 "[ . 1 . 2]" 1
1258 1 21 PHE QB 1 22 SER H 2.700 . 3.600 2.771 2.680 2.873 . 0 0 "[ . 1 . 2]" 1
1259 1 21 PHE QB 1 40 ILE MG 2.970 . 4.140 3.024 2.891 3.351 . 0 0 "[ . 1 . 2]" 1
1260 1 21 PHE QB 1 43 ILE MD 2.755 . 3.710 2.199 2.162 2.309 . 0 0 "[ . 1 . 2]" 1
1261 1 21 PHE QB 1 44 ILE H 2.990 . 4.180 4.050 3.919 4.095 . 0 0 "[ . 1 . 2]" 1
1262 1 21 PHE QB 1 49 ALA MB 3.095 . 4.390 3.094 2.883 3.307 . 0 0 "[ . 1 . 2]" 1
1263 1 21 PHE QE 1 90 LEU QB 3.560 . 5.320 4.761 4.594 5.045 . 0 0 "[ . 1 . 2]" 1
1264 1 21 PHE QE 1 90 LEU QD 2.790 . 3.780 3.509 3.045 3.946 0.166 18 0 "[ . 1 . 2]" 1
1265 1 22 SER H 1 42 LYS QB 2.745 . 3.690 2.837 2.715 2.923 . 0 0 "[ . 1 . 2]" 1
1266 1 22 SER QB 1 23 ILE H 2.970 . 4.140 2.764 2.643 2.898 . 0 0 "[ . 1 . 2]" 1
1267 1 22 SER QB 1 41 THR H 3.570 . 5.340 5.140 5.022 5.282 . 0 0 "[ . 1 . 2]" 1
1268 1 22 SER QB 1 42 LYS H 3.005 . 4.210 3.758 3.643 3.885 . 0 0 "[ . 1 . 2]" 1
1269 1 22 SER QB 2 6 ILE MD 2.675 . 3.550 2.444 2.178 2.733 . 0 0 "[ . 1 . 2]" 1
1270 1 22 SER QB 2 8 SER QB 3.080 . 4.360 2.895 2.523 3.292 . 0 0 "[ . 1 . 2]" 1
1271 1 22 SER QB 2 9 VAL HA 3.290 . 4.780 5.022 4.975 5.099 0.319 1 0 "[ . 1 . 2]" 1
1272 1 23 ILE H 1 23 ILE QG 3.025 . 4.250 2.876 2.667 3.656 . 0 0 "[ . 1 . 2]" 1
1273 1 23 ILE QG 1 24 ALA H 3.235 . 4.670 4.746 4.374 4.803 0.133 17 0 "[ . 1 . 2]" 1
1274 1 23 ILE QG 2 8 SER QB 3.070 . 4.340 3.385 3.211 3.656 . 0 0 "[ . 1 . 2]" 1
1275 1 23 ILE MD 1 81 LEU QD 2.575 . 3.350 2.274 2.136 3.000 . 0 0 "[ . 1 . 2]" 1
1276 1 24 ALA MB 1 31 HIS QB 3.075 . 4.350 2.618 2.240 3.769 . 0 0 "[ . 1 . 2]" 1
1277 1 26 GLY H 1 38 ILE QG 3.005 . 4.210 4.467 4.152 4.540 0.330 17 0 "[ . 1 . 2]" 1
1278 1 26 GLY QA 1 28 ASP H 2.960 . 4.120 3.515 3.191 3.799 . 0 0 "[ . 1 . 2]" 1
1279 1 26 GLY QA 1 29 ASN H 2.870 . 3.940 3.163 2.907 3.355 . 0 0 "[ . 1 . 2]" 1
1280 1 26 GLY QA 1 73 THR HA 3.340 . 4.880 2.307 2.121 2.493 . 0 0 "[ . 1 . 2]" 1
1281 1 27 THR H 1 72 VAL QG 3.325 . 4.850 4.974 4.921 5.030 0.180 6 0 "[ . 1 . 2]" 1
1282 1 27 THR MG 1 71 GLU QB 2.740 . 3.680 3.103 2.288 3.764 0.084 13 0 "[ . 1 . 2]" 1
1283 1 27 THR MG 1 71 GLU QG 2.510 . 3.220 2.890 2.276 3.375 0.155 10 0 "[ . 1 . 2]" 1
1284 1 28 ASP H 1 29 ASN QB 3.205 . 4.610 4.398 4.188 4.561 . 0 0 "[ . 1 . 2]" 1
1285 1 28 ASP QB 1 73 THR MG 2.805 . 3.810 2.676 2.416 3.829 0.019 7 0 "[ . 1 . 2]" 1
1286 1 29 ASN H 1 30 PRO QD 3.305 . 4.810 4.409 4.182 4.820 0.010 12 0 "[ . 1 . 2]" 1
1287 1 29 ASN HA 1 30 PRO QD 2.605 . 3.410 2.258 2.200 2.436 . 0 0 "[ . 1 . 2]" 1
1288 1 29 ASN QB 1 73 THR MG 2.890 . 3.980 3.901 3.654 4.006 0.026 3 0 "[ . 1 . 2]" 1
1289 1 29 ASN QB 1 74 HIS H 3.080 . 4.360 3.583 3.173 3.855 . 0 0 "[ . 1 . 2]" 1
1290 1 29 ASN QB 1 75 SER H 3.570 . 5.340 5.377 4.916 5.461 0.121 9 0 "[ . 1 . 2]" 1
1291 1 31 HIS QB 1 32 ILE H 3.075 . 4.350 3.020 2.672 3.526 . 0 0 "[ . 1 . 2]" 1
1292 1 31 HIS QB 1 32 ILE MG 3.330 . 4.860 3.758 3.359 4.607 . 0 0 "[ . 1 . 2]" 1
1293 1 32 ILE H 1 32 ILE QG 2.845 . 3.890 3.870 2.805 4.225 0.335 20 0 "[ . 1 . 2]" 1
1294 1 32 ILE H 1 35 ASP QB 3.535 . 5.270 3.230 2.303 4.018 . 0 0 "[ . 1 . 2]" 1
1295 1 32 ILE HA 1 33 GLY QA 3.275 . 4.750 4.330 3.884 4.471 . 0 0 "[ . 1 . 2]" 1
1296 1 32 ILE QG 1 32 ILE MG 2.595 . 3.390 2.060 1.915 2.238 . 0 0 "[ . 1 . 2]" 1
1297 1 32 ILE MG 1 35 ASP QB 2.870 . 3.940 2.794 1.781 4.008 0.068 9 0 "[ . 1 . 2]" 1
1298 1 32 ILE QG 1 33 GLY H 3.250 . 4.700 4.107 2.971 4.838 0.138 14 0 "[ . 1 . 2]" 1
1299 1 32 ILE MD 2 1 VAL QG 3.140 . 4.480 3.104 1.910 4.775 0.295 6 0 "[ . 1 . 2]" 1
1300 1 32 ILE MD 2 2 VAL QG 3.165 . 4.530 4.446 2.177 4.716 0.186 4 0 "[ . 1 . 2]" 1
1301 1 33 GLY H 1 34 ASP QB 3.570 . 5.340 5.256 4.818 5.483 0.143 19 0 "[ . 1 . 2]" 1
1302 1 33 GLY H 1 35 ASP QB 3.570 . 5.340 4.256 3.395 5.431 0.091 11 0 "[ . 1 . 2]" 1
1303 1 33 GLY H 2 1 VAL QG 3.235 . 4.670 4.760 4.502 4.888 0.218 8 0 "[ . 1 . 2]" 1
1304 1 33 GLY H 2 2 VAL QG 3.260 . 4.720 4.329 3.345 4.921 0.201 15 0 "[ . 1 . 2]" 1
1305 1 33 GLY QA 1 34 ASP H 2.340 . 2.880 2.516 2.314 2.889 0.009 11 0 "[ . 1 . 2]" 1
1306 1 33 GLY QA 1 35 ASP H 3.305 . 4.810 4.844 4.176 4.980 0.170 3 0 "[ . 1 . 2]" 1
1307 1 34 ASP H 1 34 ASP QB 2.565 . 3.330 3.273 3.033 3.489 0.159 2 0 "[ . 1 . 2]" 1
1308 1 34 ASP H 1 35 ASP QB 3.050 . 4.300 4.077 3.734 4.431 0.131 1 0 "[ . 1 . 2]" 1
1309 1 35 ASP H 1 35 ASP QB 2.395 . 2.990 2.417 2.126 2.978 . 0 0 "[ . 1 . 2]" 1
1310 1 35 ASP QB 1 37 SER H 3.345 . 4.890 4.046 3.029 4.929 0.039 4 0 "[ . 1 . 2]" 1
1311 1 37 SER QB 1 38 ILE H 2.855 . 3.910 2.922 2.570 3.725 . 0 0 "[ . 1 . 2]" 1
1312 1 38 ILE HG12 1 69 VAL MG1 2.660 . 3.520 3.108 1.826 3.733 0.213 19 0 "[ . 1 . 2]" 1
1313 1 38 ILE HG13 1 69 VAL MG1 2.660 . 3.520 3.292 2.115 3.694 0.174 19 0 "[ . 1 . 2]" 1
1314 1 38 ILE HG13 1 69 VAL MG2 2.660 . 3.520 3.223 2.943 3.721 0.201 12 0 "[ . 1 . 2]" 1
1315 1 38 ILE QG 1 77 ALA MB 3.315 . 4.830 2.451 2.237 2.781 . 0 0 "[ . 1 . 2]" 1
1316 1 39 PHE QB 1 40 ILE H 2.780 . 3.760 3.298 2.483 3.860 0.100 14 0 "[ . 1 . 2]" 1
1317 1 40 ILE H 1 60 SER QB 3.470 . 5.140 3.822 3.258 4.261 . 0 0 "[ . 1 . 2]" 1
1318 1 40 ILE H 1 61 ILE QG 3.570 . 5.340 5.368 5.347 5.388 0.048 1 0 "[ . 1 . 2]" 1
1319 1 40 ILE HA 1 57 VAL QG 3.525 . 5.250 4.215 4.053 4.374 . 0 0 "[ . 1 . 2]" 1
1320 1 40 ILE MG 1 43 ILE QG 2.535 . 3.270 2.856 2.738 2.914 . 0 0 "[ . 1 . 2]" 1
1321 1 40 ILE MG 1 57 VAL QG 2.740 . 3.680 2.197 2.064 2.299 . 0 0 "[ . 1 . 2]" 1
1322 1 40 ILE QG 1 41 THR H 3.570 . 5.340 4.733 4.695 4.784 . 0 0 "[ . 1 . 2]" 1
1323 1 40 ILE QG 1 58 ASN H 3.570 . 5.340 4.808 4.733 4.866 . 0 0 "[ . 1 . 2]" 1
1324 1 40 ILE QG 1 59 ASP H 2.765 . 3.730 3.209 3.161 3.312 . 0 0 "[ . 1 . 2]" 1
1325 1 40 ILE QG 1 60 SER H 3.220 . 4.640 2.097 1.998 2.233 . 0 0 "[ . 1 . 2]" 1
1326 1 40 ILE QG 1 61 ILE MD 3.120 . 4.440 4.337 4.240 4.419 . 0 0 "[ . 1 . 2]" 1
1327 1 40 ILE MD 1 59 ASP QB 3.170 . 4.540 4.033 3.797 4.194 . 0 0 "[ . 1 . 2]" 1
1328 1 40 ILE MD 1 61 ILE QG 2.735 . 3.670 2.124 2.060 2.215 . 0 0 "[ . 1 . 2]" 1
1329 1 41 THR H 1 42 LYS QB 3.010 . 4.220 4.296 4.248 4.327 0.107 2 0 "[ . 1 . 2]" 1
1330 1 41 THR H 1 43 ILE QG 3.570 . 5.340 5.004 4.914 5.157 . 0 0 "[ . 1 . 2]" 1
1331 1 42 LYS H 1 42 LYS QB 2.530 . 3.260 2.614 2.497 2.677 . 0 0 "[ . 1 . 2]" 1
1332 1 42 LYS H 1 42 LYS QG 3.225 . 4.650 4.308 4.246 4.378 . 0 0 "[ . 1 . 2]" 1
1333 1 42 LYS H 1 57 VAL QG 2.860 . 3.920 3.479 3.358 3.620 . 0 0 "[ . 1 . 2]" 1
1334 1 42 LYS HA 1 57 VAL QG 2.730 . 3.660 3.559 3.437 3.670 0.010 20 0 "[ . 1 . 2]" 1
1335 1 42 LYS QB 1 42 LYS QE 2.655 . 3.510 3.637 3.609 3.660 0.150 9 0 "[ . 1 . 2]" 1
1336 1 42 LYS QB 1 43 ILE H 2.945 . 4.090 3.840 3.797 3.867 . 0 0 "[ . 1 . 2]" 1
1337 1 42 LYS QG 1 43 ILE H 2.810 . 3.820 3.499 3.239 3.859 0.039 16 0 "[ . 1 . 2]" 1
1338 1 43 ILE H 1 57 VAL QG 2.735 . 3.670 3.603 3.462 3.686 0.016 19 0 "[ . 1 . 2]" 1
1339 1 43 ILE HB 1 57 VAL QG 2.600 . 3.400 3.369 3.159 3.471 0.071 7 0 "[ . 1 . 2]" 1
1340 1 43 ILE QG 1 57 VAL H 3.180 . 4.560 2.559 2.458 2.659 . 0 0 "[ . 1 . 2]" 1
1341 1 43 ILE QG 1 58 ASN H 3.365 . 4.930 4.981 4.942 5.022 0.092 15 0 "[ . 1 . 2]" 1
1342 1 43 ILE MD 1 57 VAL QG 2.815 . 3.830 2.971 2.891 3.023 . 0 0 "[ . 1 . 2]" 1
1343 1 44 ILE H 1 44 ILE QG 2.650 . 3.500 3.570 3.532 3.596 0.096 14 0 "[ . 1 . 2]" 1
1344 1 44 ILE H 1 45 PRO QD 3.320 . 4.840 4.687 4.620 4.735 . 0 0 "[ . 1 . 2]" 1
1345 1 44 ILE HA 1 45 PRO QD 2.660 . 3.520 2.166 2.130 2.259 . 0 0 "[ . 1 . 2]" 1
1346 1 44 ILE QG 1 44 ILE MG 2.560 . 3.320 2.013 1.970 2.067 . 0 0 "[ . 1 . 2]" 1
1347 1 44 ILE MG 1 45 PRO QD 2.510 . 3.220 2.764 2.636 2.924 . 0 0 "[ . 1 . 2]" 1
1348 1 44 ILE MG 1 47 GLY QA 3.280 . 4.760 2.931 2.709 3.298 . 0 0 "[ . 1 . 2]" 1
1349 1 44 ILE MD 1 45 PRO QD 3.160 . 4.520 4.661 4.573 4.719 0.199 19 0 "[ . 1 . 2]" 1
1350 1 45 PRO QB 1 46 GLY H 2.825 . 3.850 3.214 3.166 3.274 . 0 0 "[ . 1 . 2]" 1
1351 1 45 PRO QD 1 46 GLY H 2.635 . 3.470 2.913 2.842 2.990 . 0 0 "[ . 1 . 2]" 1
1352 1 46 GLY H 1 47 GLY QA 3.280 . 4.760 4.261 4.228 4.302 . 0 0 "[ . 1 . 2]" 1
1353 1 46 GLY QA 1 50 ALA MB 3.185 . 4.570 4.580 4.516 4.609 0.039 19 0 "[ . 1 . 2]" 1
1354 1 47 GLY H 1 51 GLN QG 3.270 . 4.740 3.736 3.463 3.917 . 0 0 "[ . 1 . 2]" 1
1355 1 47 GLY QA 1 48 ALA HA 3.265 . 4.730 4.074 4.054 4.084 . 0 0 "[ . 1 . 2]" 1
1356 1 47 GLY QA 1 48 ALA MB 3.065 . 4.330 3.789 3.747 3.831 . 0 0 "[ . 1 . 2]" 1
1357 1 47 GLY QA 1 50 ALA H 3.040 . 4.280 3.937 3.856 4.037 . 0 0 "[ . 1 . 2]" 1
1358 1 49 ALA MB 1 90 LEU QD 3.220 . 4.640 3.722 3.269 3.976 . 0 0 "[ . 1 . 2]" 1
1359 1 50 ALA H 1 51 GLN QG 3.515 . 5.230 4.683 4.618 4.803 . 0 0 "[ . 1 . 2]" 1
1360 1 50 ALA MB 1 51 GLN QG 2.835 . 3.870 3.237 3.150 3.290 . 0 0 "[ . 1 . 2]" 1
1361 1 51 GLN H 1 51 GLN QG 2.405 . 3.010 2.687 2.653 2.761 . 0 0 "[ . 1 . 2]" 1
1362 1 51 GLN H 1 52 ASP QB 3.405 . 5.010 4.781 4.673 4.829 . 0 0 "[ . 1 . 2]" 1
1363 1 51 GLN HA 1 51 GLN QG 2.565 . 3.330 2.546 2.478 2.718 . 0 0 "[ . 1 . 2]" 1
1364 1 51 GLN QG 1 52 ASP H 3.190 . 4.580 4.360 4.335 4.399 . 0 0 "[ . 1 . 2]" 1
1365 1 52 ASP H 1 53 GLY QA 3.380 . 4.960 4.551 4.474 4.582 . 0 0 "[ . 1 . 2]" 1
1366 1 53 GLY QA 1 55 LEU H 3.180 . 4.560 4.057 3.550 4.247 . 0 0 "[ . 1 . 2]" 1
1367 1 54 ARG H 1 54 ARG QB 2.570 . 3.340 3.453 3.338 3.482 0.142 9 0 "[ . 1 . 2]" 1
1368 1 54 ARG QB 1 55 LEU H 3.065 . 4.330 3.970 3.492 4.091 . 0 0 "[ . 1 . 2]" 1
1369 1 55 LEU H 1 90 LEU QD 3.620 . 5.440 5.169 5.060 5.300 . 0 0 "[ . 1 . 2]" 1
1370 1 55 LEU MD1 1 90 LEU QD 2.520 . 3.240 2.111 2.046 2.197 . 0 0 "[ . 1 . 2]" 1
1371 1 55 LEU MD2 1 90 LEU QD 2.630 . 3.460 3.152 2.792 3.382 . 0 0 "[ . 1 . 2]" 1
1372 1 56 ARG H 1 56 ARG QB 2.690 . 3.580 2.603 2.523 2.987 . 0 0 "[ . 1 . 2]" 1
1373 1 56 ARG H 1 56 ARG QG 2.600 . 3.400 3.212 2.685 3.277 . 0 0 "[ . 1 . 2]" 1
1374 1 56 ARG H 1 56 ARG QD 3.165 . 4.530 4.267 4.192 4.356 . 0 0 "[ . 1 . 2]" 1
1375 1 56 ARG H 1 59 ASP QB 3.300 . 4.800 2.954 2.334 3.361 . 0 0 "[ . 1 . 2]" 1
1376 1 56 ARG HA 1 57 VAL QG 3.050 . 4.300 4.114 3.829 4.294 . 0 0 "[ . 1 . 2]" 1
1377 1 56 ARG QB 1 57 VAL H 2.535 . 3.270 2.727 2.626 2.773 . 0 0 "[ . 1 . 2]" 1
1378 1 56 ARG QG 1 57 VAL H 3.215 . 4.630 3.831 3.764 3.874 . 0 0 "[ . 1 . 2]" 1
1379 1 56 ARG QD 1 57 VAL H 3.100 . 4.400 4.425 4.364 4.458 0.058 16 0 "[ . 1 . 2]" 1
1380 1 57 VAL QG 1 58 ASN H 2.565 . 3.330 2.741 2.616 2.821 . 0 0 "[ . 1 . 2]" 1
1381 1 57 VAL QG 1 58 ASN HA 2.855 . 3.910 3.850 3.766 3.992 0.082 15 0 "[ . 1 . 2]" 1
1382 1 57 VAL QG 1 58 ASN QB 2.265 . 2.730 2.930 2.904 2.971 0.241 10 0 "[ . 1 . 2]" 1
1383 1 57 VAL QG 1 59 ASP H 3.120 . 4.440 4.555 4.508 4.572 0.132 13 0 "[ . 1 . 2]" 1
1384 1 57 VAL QG 1 60 SER H 3.620 . 5.440 5.519 5.468 5.599 0.159 5 0 "[ . 1 . 2]" 1
1385 1 58 ASN H 1 58 ASN QB 2.745 . 3.690 2.333 2.223 2.642 . 0 0 "[ . 1 . 2]" 1
1386 1 58 ASN H 1 59 ASP QB 3.215 . 4.630 4.643 4.628 4.664 0.034 15 0 "[ . 1 . 2]" 1
1387 1 58 ASN QB 1 59 ASP H 3.120 . 4.440 3.980 3.716 4.326 . 0 0 "[ . 1 . 2]" 1
1388 1 59 ASP H 1 59 ASP QB 2.450 . 3.100 2.385 2.355 2.408 . 0 0 "[ . 1 . 2]" 1
1389 1 59 ASP QB 1 60 SER H 2.710 . 3.620 3.126 3.008 3.224 . 0 0 "[ . 1 . 2]" 1
1390 1 59 ASP QB 1 92 VAL MG1 3.100 . 4.400 2.369 2.239 2.488 . 0 0 "[ . 1 . 2]" 1
1391 1 59 ASP QB 1 92 VAL MG2 3.075 . 4.350 2.461 2.383 2.647 . 0 0 "[ . 1 . 2]" 1
1392 1 59 ASP QB 1 93 MET H 3.035 . 4.270 4.285 4.223 4.325 0.055 15 0 "[ . 1 . 2]" 1
1393 1 60 SER H 1 60 SER QB 2.745 . 3.690 3.180 2.845 3.356 . 0 0 "[ . 1 . 2]" 1
1394 1 60 SER QB 1 92 VAL HB 3.360 . 4.920 4.964 4.942 4.987 0.067 2 0 "[ . 1 . 2]" 1
1395 1 60 SER QB 1 93 MET H 3.035 . 4.270 4.029 3.907 4.109 . 0 0 "[ . 1 . 2]" 1
1396 1 61 ILE H 1 61 ILE QG 2.470 . 3.140 2.436 2.312 2.586 . 0 0 "[ . 1 . 2]" 1
1397 1 61 ILE HB 1 69 VAL QG 3.025 . 4.250 3.552 3.024 3.731 . 0 0 "[ . 1 . 2]" 1
1398 1 61 ILE MG 1 64 VAL QG 2.585 . 3.370 1.836 1.682 2.004 . 0 0 "[ . 1 . 2]" 1
1399 1 61 ILE MG 1 69 VAL QG 2.550 . 3.300 2.889 2.477 3.215 . 0 0 "[ . 1 . 2]" 1
1400 1 61 ILE MG 1 90 LEU QB 3.180 . 4.560 2.645 2.299 3.112 . 0 0 "[ . 1 . 2]" 1
1401 1 61 ILE QG 1 92 VAL H 3.570 . 5.340 5.133 5.019 5.258 . 0 0 "[ . 1 . 2]" 1
1402 1 61 ILE QG 1 92 VAL MG1 2.785 . 3.770 2.335 2.294 2.392 . 0 0 "[ . 1 . 2]" 1
1403 1 61 ILE MD 1 69 VAL QG 3.055 . 4.310 4.289 3.894 4.375 0.065 19 0 "[ . 1 . 2]" 1
1404 1 61 ILE MD 1 90 LEU QB 3.060 . 4.320 2.806 2.697 2.899 . 0 0 "[ . 1 . 2]" 1
1405 1 61 ILE MD 1 90 LEU QD 2.575 . 3.350 2.875 2.401 3.362 0.012 10 0 "[ . 1 . 2]" 1
1406 1 62 LEU H 1 69 VAL QG 3.250 . 4.700 4.650 4.170 4.744 0.044 9 0 "[ . 1 . 2]" 1
1407 1 63 PHE H 1 64 VAL QG 3.125 . 4.450 4.538 4.419 4.715 0.265 15 0 "[ . 1 . 2]" 1
1408 1 63 PHE H 1 69 VAL QG 3.030 . 4.260 3.999 3.526 4.226 . 0 0 "[ . 1 . 2]" 1
1409 1 63 PHE HA 1 64 VAL QG 3.035 . 4.270 3.983 3.784 4.262 . 0 0 "[ . 1 . 2]" 1
1410 1 63 PHE HA 1 69 VAL QG 2.965 . 4.130 2.839 2.386 3.394 . 0 0 "[ . 1 . 2]" 1
1411 1 63 PHE QD 1 67 VAL QG 3.285 . 4.770 4.607 4.558 4.654 . 0 0 "[ . 1 . 2]" 1
1412 1 63 PHE QD 1 68 ASP QB 3.135 . 4.470 3.651 3.501 4.495 0.025 12 0 "[ . 1 . 2]" 1
1413 1 63 PHE QD 1 69 VAL QG 3.325 . 4.850 4.605 4.403 4.890 0.040 13 0 "[ . 1 . 2]" 1
1414 1 63 PHE QE 1 67 VAL QG 3.620 . 5.440 5.501 5.446 5.547 0.107 15 0 "[ . 1 . 2]" 1
1415 1 63 PHE QE 1 68 ASP QB 2.695 . 3.590 2.301 2.057 3.505 . 0 0 "[ . 1 . 2]" 1
1416 1 64 VAL H 1 64 VAL QG 2.405 . 3.010 2.836 2.679 3.025 0.015 3 0 "[ . 1 . 2]" 1
1417 1 64 VAL H 1 67 VAL QG 2.795 . 3.790 3.387 3.122 3.636 . 0 0 "[ . 1 . 2]" 1
1418 1 64 VAL H 1 69 VAL QG 2.540 . 3.280 2.923 2.414 3.307 0.027 13 0 "[ . 1 . 2]" 1
1419 1 64 VAL HA 1 81 LEU QD 3.360 . 4.920 4.813 4.413 5.032 0.112 9 0 "[ . 1 . 2]" 1
1420 1 64 VAL HB 1 67 VAL QG 2.935 . 4.070 3.905 3.261 4.339 0.269 4 0 "[ . 1 . 2]" 1
1421 1 64 VAL QG 1 65 ASN H 2.485 . 3.170 2.866 2.488 3.095 . 0 0 "[ . 1 . 2]" 1
1422 1 64 VAL QG 1 65 ASN HA 3.070 . 4.340 4.298 3.883 4.505 0.165 18 0 "[ . 1 . 2]" 1
1423 1 64 VAL QG 1 69 VAL H 3.235 . 4.670 4.645 4.288 4.785 0.115 2 0 "[ . 1 . 2]" 1
1424 1 64 VAL QG 1 69 VAL HB 3.195 . 4.590 3.645 2.873 4.153 . 0 0 "[ . 1 . 2]" 1
1425 1 64 VAL QG 1 69 VAL QG 2.275 . 2.750 1.861 1.739 2.000 . 0 0 "[ . 1 . 2]" 1
1426 1 64 VAL QG 1 80 ALA H 3.120 . 4.440 4.394 4.121 4.518 0.078 10 0 "[ . 1 . 2]" 1
1427 1 64 VAL QG 1 80 ALA HA 3.110 . 4.420 4.444 4.286 4.585 0.165 16 0 "[ . 1 . 2]" 1
1428 1 64 VAL QG 1 80 ALA MB 2.465 . 3.130 2.170 1.894 2.469 . 0 0 "[ . 1 . 2]" 1
1429 1 64 VAL QG 1 81 LEU HG 2.810 . 3.820 2.982 2.202 3.956 0.136 13 0 "[ . 1 . 2]" 1
1430 1 64 VAL QG 1 81 LEU QD 2.210 . 2.620 2.094 1.693 2.394 . 0 0 "[ . 1 . 2]" 1
1431 1 64 VAL QG 1 90 LEU HA 3.000 . 4.200 2.609 2.133 3.493 . 0 0 "[ . 1 . 2]" 1
1432 1 64 VAL QG 1 91 TYR H 3.365 . 4.930 3.459 3.141 4.031 . 0 0 "[ . 1 . 2]" 1
1433 1 65 ASN H 1 65 ASN QB 2.740 . 3.680 3.442 3.257 3.659 . 0 0 "[ . 1 . 2]" 1
1434 1 65 ASN H 1 67 VAL QG 3.500 . 5.200 4.454 4.378 4.690 . 0 0 "[ . 1 . 2]" 1
1435 1 65 ASN H 1 89 ARG QG 3.085 . 4.370 3.693 3.078 4.339 . 0 0 "[ . 1 . 2]" 1
1436 1 65 ASN H 1 90 LEU QB 3.570 . 5.340 4.718 4.386 5.125 . 0 0 "[ . 1 . 2]" 1
1437 1 65 ASN HA 1 89 ARG QB 3.130 . 4.460 4.087 2.533 4.420 . 0 0 "[ . 1 . 2]" 1
1438 1 65 ASN QB 1 67 VAL H 2.945 . 4.090 3.152 2.944 3.422 . 0 0 "[ . 1 . 2]" 1
1439 1 65 ASN HB3 1 67 VAL QG 2.660 . 3.520 2.895 1.963 3.259 . 0 0 "[ . 1 . 2]" 1
1440 1 67 VAL H 1 69 VAL QG 3.580 . 5.360 5.000 4.656 5.384 0.024 13 0 "[ . 1 . 2]" 1
1441 1 67 VAL HA 1 68 ASP QB 3.225 . 4.650 4.292 3.754 4.495 . 0 0 "[ . 1 . 2]" 1
1442 1 67 VAL QG 1 69 VAL H 3.335 . 4.870 4.263 3.804 4.610 . 0 0 "[ . 1 . 2]" 1
1443 1 67 VAL QG 1 69 VAL QG 2.275 . 2.750 2.782 2.268 3.024 0.274 19 0 "[ . 1 . 2]" 1
1444 1 67 VAL QG 1 70 ARG H 3.620 . 5.440 6.024 5.666 6.398 0.958 6 9 "[ * *+* 1 *.-***2]" 1
1445 1 67 VAL QG 1 80 ALA MB 2.785 . 3.770 2.706 2.250 2.933 . 0 0 "[ . 1 . 2]" 1
1446 1 68 ASP H 1 68 ASP QB 2.455 . 3.110 2.871 2.352 3.065 . 0 0 "[ . 1 . 2]" 1
1447 1 68 ASP H 1 69 VAL QG 3.140 . 4.480 4.646 4.547 4.789 0.309 13 0 "[ . 1 . 2]" 1
1448 1 68 ASP H 1 72 VAL QG 3.565 . 5.330 5.079 4.599 5.337 0.007 7 0 "[ . 1 . 2]" 1
1449 1 68 ASP HA 1 69 VAL QG 3.380 . 4.960 3.963 3.762 4.363 . 0 0 "[ . 1 . 2]" 1
1450 1 68 ASP QB 1 69 VAL H 2.725 . 3.650 3.633 3.459 3.895 0.245 11 0 "[ . 1 . 2]" 1
1451 1 68 ASP QB 1 70 ARG H 3.250 . 4.700 3.609 2.999 4.668 . 0 0 "[ . 1 . 2]" 1
1452 1 69 VAL H 1 69 VAL QG 2.490 . 3.180 2.617 2.367 3.072 . 0 0 "[ . 1 . 2]" 1
1453 1 69 VAL H 1 70 ARG QB 3.315 . 4.830 4.544 3.977 4.807 . 0 0 "[ . 1 . 2]" 1
1454 1 69 VAL HA 1 72 VAL QG 2.640 . 3.480 2.089 1.990 2.625 . 0 0 "[ . 1 . 2]" 1
1455 1 69 VAL HB 1 72 VAL QG 3.335 . 4.870 2.797 2.186 3.959 . 0 0 "[ . 1 . 2]" 1
1456 1 69 VAL QG 1 70 ARG H 2.780 . 3.760 3.475 3.222 3.805 0.045 16 0 "[ . 1 . 2]" 1
1457 1 69 VAL QG 1 71 GLU H 3.300 . 4.800 4.735 4.498 4.854 0.054 5 0 "[ . 1 . 2]" 1
1458 1 69 VAL QG 1 72 VAL QG 2.265 . 2.730 2.011 1.832 2.180 . 0 0 "[ . 1 . 2]" 1
1459 1 69 VAL QG 1 77 ALA H 3.350 . 4.900 4.465 4.120 4.805 . 0 0 "[ . 1 . 2]" 1
1460 1 69 VAL QG 1 77 ALA HA 2.810 . 3.820 2.584 2.306 2.961 . 0 0 "[ . 1 . 2]" 1
1461 1 69 VAL QG 1 77 ALA MB 2.750 . 3.700 2.625 2.265 2.928 . 0 0 "[ . 1 . 2]" 1
1462 1 69 VAL QG 1 80 ALA MB 2.835 . 3.870 3.302 2.975 3.674 . 0 0 "[ . 1 . 2]" 1
1463 1 70 ARG H 1 70 ARG QB 2.460 . 3.120 2.583 2.264 2.812 . 0 0 "[ . 1 . 2]" 1
1464 1 70 ARG H 1 71 GLU QB 3.570 . 5.340 5.350 5.117 5.526 0.186 10 0 "[ . 1 . 2]" 1
1465 1 70 ARG H 1 72 VAL QG 2.855 . 3.910 4.056 4.024 4.103 0.193 5 0 "[ . 1 . 2]" 1
1466 1 70 ARG QB 1 71 GLU H 2.815 . 3.830 3.550 3.176 3.933 0.103 6 0 "[ . 1 . 2]" 1
1467 1 71 GLU H 1 72 VAL QG 2.520 . 3.240 3.109 3.021 3.257 0.017 5 0 "[ . 1 . 2]" 1
1468 1 71 GLU QB 1 72 VAL H 2.965 . 4.130 3.957 3.641 4.166 0.036 6 0 "[ . 1 . 2]" 1
1469 1 72 VAL H 1 72 VAL QG 2.515 . 3.230 2.870 2.810 2.922 . 0 0 "[ . 1 . 2]" 1
1470 1 72 VAL QG 1 73 THR H 2.530 . 3.260 3.141 2.948 3.279 0.019 1 0 "[ . 1 . 2]" 1
1471 1 72 VAL QG 1 74 HIS H 3.305 . 4.810 4.894 4.816 4.949 0.139 13 0 "[ . 1 . 2]" 1
1472 1 72 VAL QG 1 74 HIS HA 3.535 . 5.270 4.389 4.157 4.621 . 0 0 "[ . 1 . 2]" 1
1473 1 72 VAL QG 1 76 ALA H 3.050 . 4.300 4.106 3.607 4.309 0.009 13 0 "[ . 1 . 2]" 1
1474 1 72 VAL QG 1 77 ALA H 2.440 . 3.080 3.153 2.854 3.251 0.171 18 0 "[ . 1 . 2]" 1
1475 1 72 VAL QG 1 77 ALA HA 2.900 . 4.000 2.990 2.874 3.139 . 0 0 "[ . 1 . 2]" 1
1476 1 72 VAL QG 1 77 ALA MB 2.535 . 3.270 2.295 2.127 2.398 . 0 0 "[ . 1 . 2]" 1
1477 1 74 HIS QB 1 75 SER H 2.610 . 3.420 3.108 2.437 3.473 0.053 4 0 "[ . 1 . 2]" 1
1478 1 74 HIS HE1 2 5 ARG QD 2.935 . 4.070 3.985 3.065 4.122 0.052 4 0 "[ . 1 . 2]" 1
1479 1 76 ALA HA 1 79 GLU QB 2.700 . 3.600 2.927 2.420 3.190 . 0 0 "[ . 1 . 2]" 1
1480 1 78 VAL HA 1 81 LEU QD 2.820 . 3.840 2.665 2.002 3.349 . 0 0 "[ . 1 . 2]" 1
1481 1 78 VAL MG1 1 82 LYS QG 3.155 . 4.510 2.599 2.064 2.837 . 0 0 "[ . 1 . 2]" 1
1482 1 78 VAL MG1 1 82 LYS QD 2.855 . 3.910 2.456 2.201 2.982 . 0 0 "[ . 1 . 2]" 1
1483 1 78 VAL MG2 1 82 LYS QD 3.335 . 4.870 4.853 4.551 4.979 0.109 6 0 "[ . 1 . 2]" 1
1484 1 79 GLU H 1 79 GLU QB 2.420 . 3.040 2.368 2.230 2.463 . 0 0 "[ . 1 . 2]" 1
1485 1 79 GLU QB 1 80 ALA H 2.345 . 2.890 3.053 3.007 3.096 0.206 13 0 "[ . 1 . 2]" 1
1486 1 79 GLU QB 1 80 ALA HA 3.250 . 4.700 4.374 4.221 4.462 . 0 0 "[ . 1 . 2]" 1
1487 1 80 ALA H 1 81 LEU QD 3.005 . 4.210 4.264 3.344 4.430 0.220 12 0 "[ . 1 . 2]" 1
1488 1 80 ALA HA 1 83 GLU QB 2.970 . 4.140 4.054 3.733 4.175 0.035 13 0 "[ . 1 . 2]" 1
1489 1 80 ALA MB 1 81 LEU QD 2.845 . 3.890 3.183 2.276 3.669 . 0 0 "[ . 1 . 2]" 1
1490 1 81 LEU H 1 81 LEU QD 2.335 . 2.870 2.959 2.544 3.058 0.188 12 0 "[ . 1 . 2]" 1
1491 1 81 LEU H 1 83 GLU QB 3.570 . 5.340 5.383 4.734 5.494 0.154 7 0 "[ . 1 . 2]" 1
1492 1 81 LEU HA 1 88 VAL QG 2.740 . 3.680 1.908 1.774 2.165 . 0 0 "[ . 1 . 2]" 1
1493 1 81 LEU HG 1 88 VAL QG 3.220 . 4.640 3.941 3.358 4.594 . 0 0 "[ . 1 . 2]" 1
1494 1 81 LEU QD 1 88 VAL HB 2.980 . 4.160 3.414 2.672 4.255 0.095 20 0 "[ . 1 . 2]" 1
1495 1 81 LEU QD 1 88 VAL QG 2.265 . 2.730 2.359 2.034 2.802 0.072 10 0 "[ . 1 . 2]" 1
1496 1 81 LEU QD 2 9 VAL HB 2.525 . 3.250 2.618 2.223 3.151 . 0 0 "[ . 1 . 2]" 1
1497 1 82 LYS H 1 82 LYS QG 2.815 . 3.830 2.968 2.673 3.300 . 0 0 "[ . 1 . 2]" 1
1498 1 82 LYS H 1 83 GLU QB 3.260 . 4.720 4.613 3.683 4.747 0.027 20 0 "[ . 1 . 2]" 1
1499 1 82 LYS H 1 83 GLU QG 3.500 . 5.200 4.727 4.508 5.438 0.238 15 0 "[ . 1 . 2]" 1
1500 1 82 LYS HB2 1 82 LYS QD 2.705 . 3.610 2.696 2.437 3.634 0.024 11 0 "[ . 1 . 2]" 1
1501 1 82 LYS HB2 1 83 GLU QB 3.570 . 5.340 4.626 3.976 4.879 . 0 0 "[ . 1 . 2]" 1
1502 1 82 LYS QG 1 83 GLU H 3.265 . 4.730 4.567 4.409 4.635 . 0 0 "[ . 1 . 2]" 1
1503 1 82 LYS QG 2 9 VAL HB 2.960 . 4.120 4.193 4.126 4.275 0.155 20 0 "[ . 1 . 2]" 1
1504 1 82 LYS QG 2 9 VAL QG 3.410 . 5.020 2.443 2.148 2.829 . 0 0 "[ . 1 . 2]" 1
1505 1 83 GLU H 1 83 GLU QB 2.345 . 2.890 2.370 1.838 2.482 . 0 0 "[ . 1 . 2]" 1
1506 1 83 GLU H 1 83 GLU QG 2.525 . 3.250 2.832 2.675 3.557 0.307 15 0 "[ . 1 . 2]" 1
1507 1 83 GLU HA 1 83 GLU QG 2.605 . 3.410 2.451 2.022 3.501 0.091 13 0 "[ . 1 . 2]" 1
1508 1 83 GLU QB 1 84 ALA H 2.760 . 3.720 3.419 3.095 3.721 0.001 17 0 "[ . 1 . 2]" 1
1509 1 83 GLU QG 1 84 ALA H 3.040 . 4.280 4.058 2.820 4.517 0.237 3 0 "[ . 1 . 2]" 1
1510 1 83 GLU QG 1 85 GLY H 3.570 . 5.340 5.376 4.919 5.561 0.221 16 0 "[ . 1 . 2]" 1
1511 1 84 ALA H 1 85 GLY QA 3.490 . 5.180 4.699 4.524 4.827 . 0 0 "[ . 1 . 2]" 1
1512 1 84 ALA H 1 88 VAL QG 2.580 . 3.360 3.522 3.441 3.589 0.229 11 0 "[ . 1 . 2]" 1
1513 1 84 ALA HA 1 88 VAL QG 3.620 . 5.440 4.481 4.336 4.557 . 0 0 "[ . 1 . 2]" 1
1514 1 84 ALA MB 1 88 VAL QG 2.355 . 2.910 1.935 1.744 2.019 . 0 0 "[ . 1 . 2]" 1
1515 1 85 GLY H 1 86 SER QB 3.445 . 5.090 5.379 5.309 5.478 0.388 7 0 "[ . 1 . 2]" 1
1516 1 85 GLY H 1 88 VAL QG 2.850 . 3.900 4.034 3.970 4.099 0.199 19 0 "[ . 1 . 2]" 1
1517 1 85 GLY QA 1 87 ILE H 2.825 . 3.850 4.099 3.989 4.234 0.384 17 0 "[ . 1 . 2]" 1
1518 1 86 SER H 1 86 SER QB 2.520 . 3.240 2.969 2.458 3.355 0.115 2 0 "[ . 1 . 2]" 1
1519 1 86 SER HA 1 88 VAL QG 3.620 . 5.440 5.115 4.346 5.480 0.040 17 0 "[ . 1 . 2]" 1
1520 1 86 SER QB 1 87 ILE H 2.855 . 3.910 3.094 2.748 3.682 . 0 0 "[ . 1 . 2]" 1
1521 1 86 SER QB 1 87 ILE HB 3.480 . 5.160 4.679 4.280 5.270 0.110 2 0 "[ . 1 . 2]" 1
1522 1 86 SER QB 1 87 ILE HG12 3.140 . 4.480 3.134 2.736 3.754 . 0 0 "[ . 1 . 2]" 1
1523 1 86 SER QB 1 87 ILE MD 2.915 . 4.030 3.574 2.915 4.061 0.031 13 0 "[ . 1 . 2]" 1
1524 1 87 ILE H 1 88 VAL QG 2.975 . 4.150 4.147 3.938 4.250 0.100 20 0 "[ . 1 . 2]" 1
1525 1 88 VAL H 1 88 VAL QG 2.350 . 2.900 2.767 2.640 3.061 0.161 11 0 "[ . 1 . 2]" 1
1526 1 88 VAL HA 1 89 ARG QB 3.570 . 5.340 4.602 4.073 4.804 . 0 0 "[ . 1 . 2]" 1
1527 1 88 VAL QG 1 89 ARG H 2.660 . 3.520 3.324 2.736 3.592 0.072 1 0 "[ . 1 . 2]" 1
1528 1 88 VAL QG 2 9 VAL HB 3.355 . 4.910 5.085 4.974 5.253 0.343 13 0 "[ . 1 . 2]" 1
1529 1 89 ARG H 1 89 ARG QG 3.105 . 4.410 2.854 2.599 4.299 . 0 0 "[ . 1 . 2]" 1
1530 1 89 ARG H 1 89 ARG QD 3.315 . 4.830 4.405 2.965 4.599 . 0 0 "[ . 1 . 2]" 1
1531 1 90 LEU H 1 90 LEU QB 2.575 . 3.350 3.039 2.961 3.211 . 0 0 "[ . 1 . 2]" 1
1532 1 90 LEU H 1 90 LEU QD 2.445 . 3.090 2.641 1.957 3.214 0.124 16 0 "[ . 1 . 2]" 1
1533 1 90 LEU HA 1 90 LEU QD 2.775 . 3.750 3.499 3.449 3.546 . 0 0 "[ . 1 . 2]" 1
1534 1 90 LEU HB2 1 90 LEU MD1 2.660 . 3.520 2.678 2.152 3.265 . 0 0 "[ . 1 . 2]" 1
1535 1 90 LEU HB3 1 90 LEU MD1 2.660 . 3.520 2.962 2.688 3.183 . 0 0 "[ . 1 . 2]" 1
1536 1 90 LEU QB 1 91 TYR H 2.715 . 3.630 2.963 2.858 3.053 . 0 0 "[ . 1 . 2]" 1
1537 1 90 LEU QB 1 92 VAL MG1 3.360 . 4.920 3.321 3.151 3.532 . 0 0 "[ . 1 . 2]" 1
1538 1 90 LEU QD 1 91 TYR H 2.950 . 4.100 3.857 3.739 3.965 . 0 0 "[ . 1 . 2]" 1
1539 1 90 LEU QD 1 92 VAL H 2.865 . 3.930 3.917 3.832 3.965 0.035 13 0 "[ . 1 . 2]" 1
1540 1 90 LEU QD 1 92 VAL MG1 2.605 . 3.410 2.156 2.036 2.285 . 0 0 "[ . 1 . 2]" 1
1541 1 94 ARG H 1 94 ARG QB 2.745 . 3.690 2.884 2.511 3.422 . 0 0 "[ . 1 . 2]" 1
1542 1 94 ARG HA 1 95 ARG QB 3.100 . 4.400 4.272 3.995 4.425 0.025 20 0 "[ . 1 . 2]" 1
1543 1 94 ARG QB 1 95 ARG H 2.920 . 4.040 3.052 2.450 3.826 . 0 0 "[ . 1 . 2]" 1
1544 1 95 ARG H 1 95 ARG QB 2.330 . 2.860 2.435 2.322 2.732 . 0 0 "[ . 1 . 2]" 1
1545 1 95 ARG QB 1 95 ARG QD 2.565 . 3.330 2.203 2.106 2.641 . 0 0 "[ . 1 . 2]" 1
1546 1 95 ARG QG 1 96 LYS H 2.590 . 3.380 3.214 2.516 3.444 0.064 6 0 "[ . 1 . 2]" 1
1547 1 96 LYS H 1 96 LYS QB 2.515 . 3.230 2.678 2.433 2.893 . 0 0 "[ . 1 . 2]" 1
1548 2 3 SER H 2 4 GLU QG 3.430 . 5.060 5.288 5.019 5.459 0.399 7 0 "[ . 1 . 2]" 1
1549 2 3 SER HA 2 4 GLU QB 3.425 . 5.050 4.822 4.204 5.264 0.214 19 0 "[ . 1 . 2]" 1
1550 2 4 GLU HA 2 4 GLU QG 2.680 . 3.560 2.848 2.218 3.691 0.131 19 0 "[ . 1 . 2]" 1
1551 2 4 GLU QG 2 6 ILE MG 3.160 . 4.520 3.261 2.458 4.280 . 0 0 "[ . 1 . 2]" 1
1552 2 4 GLU QG 2 6 ILE QG 2.955 . 4.110 3.715 2.428 4.318 0.208 18 0 "[ . 1 . 2]" 1
1553 2 4 GLU QG 2 6 ILE MD 2.840 . 3.880 3.972 3.595 4.199 0.319 9 0 "[ . 1 . 2]" 1
1554 2 4 GLU QG 2 7 SER H 3.570 . 5.340 5.510 5.255 5.693 0.353 4 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 20
_Distance_constraint_stats_list.Viol_count 388
_Distance_constraint_stats_list.Viol_total 986.579
_Distance_constraint_stats_list.Viol_max 0.340
_Distance_constraint_stats_list.Viol_rms 0.0913
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1233
_Distance_constraint_stats_list.Viol_average_violations_only 0.1271
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 GLU 3.616 0.146 8 0 "[ . 1 . 2]"
1 10 ILE 1.351 0.104 16 0 "[ . 1 . 2]"
1 12 LEU 1.479 0.082 20 0 "[ . 1 . 2]"
1 22 SER 1.109 0.070 5 0 "[ . 1 . 2]"
1 24 ALA 3.460 0.294 12 0 "[ . 1 . 2]"
1 39 PHE 3.460 0.294 12 0 "[ . 1 . 2]"
1 42 LYS 1.109 0.070 5 0 "[ . 1 . 2]"
1 49 ALA 2.342 0.205 19 0 "[ . 1 . 2]"
1 55 LEU 2.342 0.205 19 0 "[ . 1 . 2]"
1 56 ARG 3.142 0.188 4 0 "[ . 1 . 2]"
1 59 ASP 7.872 0.271 14 0 "[ . 1 . 2]"
1 62 LEU 0.579 0.071 1 0 "[ . 1 . 2]"
1 63 PHE 6.798 0.339 13 0 "[ . 1 . 2]"
1 64 VAL 4.143 0.261 9 0 "[ . 1 . 2]"
1 65 ASN 0.409 0.064 8 0 "[ . 1 . 2]"
1 67 VAL 4.143 0.261 9 0 "[ . 1 . 2]"
1 74 HIS 9.477 0.340 8 0 "[ . 1 . 2]"
1 75 SER 2.610 0.160 15 0 "[ . 1 . 2]"
1 77 ALA 5.546 0.340 8 0 "[ . 1 . 2]"
1 78 VAL 8.015 0.234 1 0 "[ . 1 . 2]"
1 79 GLU 2.610 0.160 15 0 "[ . 1 . 2]"
1 81 LEU 3.185 0.202 13 0 "[ . 1 . 2]"
1 82 LYS 0.899 0.105 13 0 "[ . 1 . 2]"
1 88 VAL 1.479 0.082 20 0 "[ . 1 . 2]"
1 89 ARG 0.409 0.064 8 0 "[ . 1 . 2]"
1 90 LEU 1.351 0.104 16 0 "[ . 1 . 2]"
1 91 TYR 7.377 0.339 13 0 "[ . 1 . 2]"
1 92 VAL 3.616 0.146 8 0 "[ . 1 . 2]"
1 93 MET 4.731 0.271 14 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 10 ILE H 1 90 LEU O 1.800 . 2.000 2.068 2.041 2.104 0.104 16 0 "[ . 1 . 2]" 2
2 1 12 LEU H 1 88 VAL O 1.800 . 2.000 2.036 2.002 2.068 0.068 10 0 "[ . 1 . 2]" 2
3 1 22 SER H 1 42 LYS O 1.800 . 2.000 2.055 2.037 2.070 0.070 5 0 "[ . 1 . 2]" 2
4 1 24 ALA H 1 39 PHE O 1.800 . 2.000 2.173 2.130 2.294 0.294 12 0 "[ . 1 . 2]" 2
5 1 49 ALA O 1 55 LEU H 1.800 . 2.000 2.117 2.081 2.205 0.205 19 0 "[ . 1 . 2]" 2
6 1 56 ARG O 1 59 ASP H 1.800 . 2.000 2.157 2.114 2.188 0.188 4 0 "[ . 1 . 2]" 2
7 1 62 LEU H 1 91 TYR O 1.800 . 2.000 2.029 2.007 2.071 0.071 1 0 "[ . 1 . 2]" 2
8 1 63 PHE H 1 91 TYR O 1.800 . 2.000 2.320 2.300 2.339 0.339 13 0 "[ . 1 . 2]" 2
9 1 65 ASN H 1 89 ARG O 1.800 . 2.000 1.983 1.850 2.064 0.064 8 0 "[ . 1 . 2]" 2
10 1 74 HIS O 1 77 ALA H 1.800 . 2.000 2.277 2.241 2.340 0.340 8 0 "[ . 1 . 2]" 2
11 1 74 HIS O 1 78 VAL H 1.800 . 2.000 2.197 2.146 2.234 0.234 1 0 "[ . 1 . 2]" 2
12 1 78 VAL O 1 81 LEU H 1.800 . 2.000 2.159 2.142 2.202 0.202 13 0 "[ . 1 . 2]" 2
13 1 12 LEU O 1 88 VAL H 1.800 . 2.000 2.035 1.945 2.082 0.082 20 0 "[ . 1 . 2]" 2
14 1 63 PHE O 1 91 TYR H 1.800 . 2.000 2.017 1.948 2.044 0.044 3 0 "[ . 1 . 2]" 2
15 1 59 ASP O 1 93 MET H 1.800 . 2.000 2.237 2.207 2.271 0.271 14 0 "[ . 1 . 2]" 2
16 1 75 SER O 1 79 GLU H 1.800 . 2.000 2.131 2.099 2.160 0.160 15 0 "[ . 1 . 2]" 2
17 1 64 VAL H 1 67 VAL O 1.800 . 2.000 2.207 2.153 2.261 0.261 9 0 "[ . 1 . 2]" 2
18 1 78 VAL O 1 82 LYS H 1.800 . 2.000 2.044 1.975 2.105 0.105 13 0 "[ . 1 . 2]" 2
19 1 8 GLU O 1 92 VAL H 1.800 . 2.000 2.046 2.012 2.065 0.065 1 0 "[ . 1 . 2]" 2
20 1 8 GLU H 1 92 VAL O 1.800 . 2.000 2.135 2.121 2.146 0.146 8 0 "[ . 1 . 2]" 2
stop_
save_
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