NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
434762 |
2jxl   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jxl
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 1066
_Distance_constraint_stats_list.Viol_count 2737
_Distance_constraint_stats_list.Viol_total 4394.010
_Distance_constraint_stats_list.Viol_max 0.412
_Distance_constraint_stats_list.Viol_rms 0.0244
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0046
_Distance_constraint_stats_list.Viol_average_violations_only 0.0535
_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 ASP 0.101 0.071 30 0 "[ . 1 . 2 . 3]"
1 3 ASP 2.463 0.075 4 0 "[ . 1 . 2 . 3]"
1 4 ILE 7.064 0.155 30 0 "[ . 1 . 2 . 3]"
1 5 TYR 4.973 0.221 24 0 "[ . 1 . 2 . 3]"
1 6 LYS 11.543 0.303 11 0 "[ . 1 . 2 . 3]"
1 7 ALA 2.497 0.279 12 0 "[ . 1 . 2 . 3]"
1 8 ALA 0.047 0.032 30 0 "[ . 1 . 2 . 3]"
1 9 VAL 8.885 0.399 24 0 "[ . 1 . 2 . 3]"
1 10 GLU 3.707 0.412 17 0 "[ . 1 . 2 . 3]"
1 11 GLN 4.789 0.163 17 0 "[ . 1 . 2 . 3]"
1 12 LEU 3.657 0.141 28 0 "[ . 1 . 2 . 3]"
1 13 THR 4.580 0.405 5 0 "[ . 1 . 2 . 3]"
1 14 GLU 0.706 0.261 25 0 "[ . 1 . 2 . 3]"
1 15 GLU 2.871 0.287 16 0 "[ . 1 . 2 . 3]"
1 16 GLN 1.464 0.139 27 0 "[ . 1 . 2 . 3]"
1 17 LYS 1.868 0.125 15 0 "[ . 1 . 2 . 3]"
1 18 ASN 5.510 0.287 16 0 "[ . 1 . 2 . 3]"
1 19 GLU 0.793 0.165 2 0 "[ . 1 . 2 . 3]"
1 20 PHE 2.467 0.147 12 0 "[ . 1 . 2 . 3]"
1 21 LYS 2.737 0.167 23 0 "[ . 1 . 2 . 3]"
1 22 ALA 3.005 0.235 30 0 "[ . 1 . 2 . 3]"
1 23 ALA 2.759 0.122 2 0 "[ . 1 . 2 . 3]"
1 24 PHE 2.192 0.122 2 0 "[ . 1 . 2 . 3]"
1 25 ASP 1.646 0.209 30 0 "[ . 1 . 2 . 3]"
1 26 ILE 7.783 0.389 30 0 "[ . 1 . 2 . 3]"
1 27 PHE 0.959 0.069 26 0 "[ . 1 . 2 . 3]"
1 28 VAL 2.463 0.229 9 0 "[ . 1 . 2 . 3]"
1 29 LEU 6.544 0.389 30 0 "[ . 1 . 2 . 3]"
1 30 GLY 1.935 0.114 11 0 "[ . 1 . 2 . 3]"
1 31 ALA 0.927 0.229 9 0 "[ . 1 . 2 . 3]"
1 32 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 33 ASP 0.011 0.011 14 0 "[ . 1 . 2 . 3]"
1 34 GLY 0.110 0.069 30 0 "[ . 1 . 2 . 3]"
1 35 CYS 1.221 0.202 30 0 "[ . 1 . 2 . 3]"
1 36 ILE 2.782 0.159 20 0 "[ . 1 . 2 . 3]"
1 37 SER 0.059 0.039 18 0 "[ . 1 . 2 . 3]"
1 38 THR 7.019 0.213 20 0 "[ . 1 . 2 . 3]"
1 39 LYS 0.217 0.023 19 0 "[ . 1 . 2 . 3]"
1 40 GLU 0.334 0.034 30 0 "[ . 1 . 2 . 3]"
1 41 LEU 9.387 0.206 11 0 "[ . 1 . 2 . 3]"
1 42 GLY 1.897 0.140 27 0 "[ . 1 . 2 . 3]"
1 43 LYS 4.288 0.341 22 0 "[ . 1 . 2 . 3]"
1 44 VAL 0.485 0.075 29 0 "[ . 1 . 2 . 3]"
1 45 MET 3.391 0.140 27 0 "[ . 1 . 2 . 3]"
1 46 ARG 2.796 0.196 8 0 "[ . 1 . 2 . 3]"
1 47 MET 1.623 0.356 24 0 "[ . 1 . 2 . 3]"
1 48 LEU 0.319 0.071 17 0 "[ . 1 . 2 . 3]"
1 49 GLY 0.266 0.100 11 0 "[ . 1 . 2 . 3]"
1 50 GLN 0.986 0.230 12 0 "[ . 1 . 2 . 3]"
1 51 ASN 0.427 0.051 4 0 "[ . 1 . 2 . 3]"
1 52 PRO 0.467 0.051 4 0 "[ . 1 . 2 . 3]"
1 53 THR 2.112 0.281 19 0 "[ . 1 . 2 . 3]"
1 54 PRO 1.472 0.281 19 0 "[ . 1 . 2 . 3]"
1 55 GLU 1.318 0.333 19 0 "[ . 1 . 2 . 3]"
1 56 GLU 0.710 0.151 26 0 "[ . 1 . 2 . 3]"
1 57 LEU 0.205 0.039 20 0 "[ . 1 . 2 . 3]"
1 58 GLN 3.408 0.213 20 0 "[ . 1 . 2 . 3]"
1 59 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 60 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 61 ILE 6.897 0.324 11 0 "[ . 1 . 2 . 3]"
1 62 ASP 0.135 0.027 10 0 "[ . 1 . 2 . 3]"
1 63 GLU 1.176 0.246 4 0 "[ . 1 . 2 . 3]"
1 64 VAL 5.486 0.324 11 0 "[ . 1 . 2 . 3]"
1 65 ASP 1.824 0.086 18 0 "[ . 1 . 2 . 3]"
1 66 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 67 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 69 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 70 GLY 0.097 0.031 12 0 "[ . 1 . 2 . 3]"
1 71 THR 0.943 0.063 11 0 "[ . 1 . 2 . 3]"
1 72 VAL 4.583 0.179 15 0 "[ . 1 . 2 . 3]"
1 73 ASP 0.024 0.024 5 0 "[ . 1 . 2 . 3]"
1 74 PHE 10.750 0.180 15 0 "[ . 1 . 2 . 3]"
1 75 ASP 1.555 0.176 15 0 "[ . 1 . 2 . 3]"
1 76 GLU 0.085 0.044 20 0 "[ . 1 . 2 . 3]"
1 77 TRP 11.297 0.353 15 0 "[ . 1 . 2 . 3]"
1 78 LEU 4.158 0.258 3 0 "[ . 1 . 2 . 3]"
1 79 VAL 0.781 0.138 12 0 "[ . 1 . 2 . 3]"
1 80 MET 2.752 0.138 12 0 "[ . 1 . 2 . 3]"
1 81 MET 4.924 0.345 18 0 "[ . 1 . 2 . 3]"
1 82 ALA 0.831 0.120 9 0 "[ . 1 . 2 . 3]"
1 83 ARG 1.212 0.086 3 0 "[ . 1 . 2 . 3]"
1 84 CYS 0.419 0.116 26 0 "[ . 1 . 2 . 3]"
1 85 MET 3.069 0.169 25 0 "[ . 1 . 2 . 3]"
1 86 LYS 6.404 0.361 14 0 "[ . 1 . 2 . 3]"
1 87 ASP 3.305 0.191 9 0 "[ . 1 . 2 . 3]"
1 88 ASP 0.136 0.042 22 0 "[ . 1 . 2 . 3]"
1 89 SER 0.023 0.022 30 0 "[ . 1 . 2 . 3]"
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 73 ASP H 1 76 GLU HB2 . . 4.480 2.228 1.934 2.638 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 73 ASP H 1 76 GLU HB3 . . 4.480 3.786 2.951 4.292 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 66 GLU H 1 66 GLU HG2 . . 4.060 2.808 1.976 3.696 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 66 GLU H 1 66 GLU HB2 . . 3.720 3.277 2.501 3.600 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 72 VAL H 1 72 VAL HB . . 4.150 2.362 2.276 2.534 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 36 ILE HB 1 72 VAL H . . 4.540 3.437 2.870 3.984 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 37 SER H 1 40 GLU QB . . 4.190 3.127 2.830 3.353 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 30 GLY H 1 31 ALA H . . 4.140 2.370 2.139 3.017 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 76 GLU H 1 77 TRP H . . 4.000 2.652 2.358 2.800 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 76 GLU HB2 1 77 TRP H . . 4.340 2.822 2.504 3.073 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 76 GLU HB3 1 77 TRP H . . 4.340 3.731 3.312 4.054 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 72 VAL MG1 1 77 TRP H . . 4.570 2.736 2.037 3.902 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 28 VAL H 1 29 LEU H . . 4.260 2.533 2.360 2.561 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 26 ILE HA 1 29 LEU H . . 4.770 3.549 3.203 3.713 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 29 LEU H 1 29 LEU HG . . 3.640 3.169 2.811 3.430 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 86 LYS HA 1 88 ASP H . . 4.790 4.515 3.304 4.832 0.042 22 0 "[ . 1 . 2 . 3]" 1
17 1 88 ASP H 1 88 ASP QB . . 3.360 2.715 2.273 3.377 0.017 11 0 "[ . 1 . 2 . 3]" 1
18 1 82 ALA H 1 83 ARG H . . 3.540 2.729 2.684 2.914 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 79 VAL HA 1 82 ALA H . . 3.930 3.264 3.145 3.444 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 47 MET H 1 48 LEU MD1 . . 5.510 4.787 3.686 5.525 0.015 22 0 "[ . 1 . 2 . 3]" 1
21 1 47 MET H 1 48 LEU MD2 . . 5.510 4.679 3.322 5.526 0.016 25 0 "[ . 1 . 2 . 3]" 1
22 1 47 MET H 1 48 LEU H . . 3.640 2.590 2.501 2.665 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 46 ARG H 1 47 MET H . . 3.700 2.680 2.532 2.754 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 44 VAL HA 1 47 MET H . . 4.120 3.367 3.255 3.483 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 47 MET H 1 47 MET HB2 . . 3.600 2.670 2.347 3.602 0.002 6 0 "[ . 1 . 2 . 3]" 1
26 1 47 MET H 1 47 MET HB3 . . 3.600 3.432 2.147 3.594 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 16 GLN HA 1 19 GLU H . . 3.960 3.514 3.321 3.777 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 18 ASN HB2 1 19 GLU H . . 3.970 3.198 2.712 4.135 0.165 2 0 "[ . 1 . 2 . 3]" 1
29 1 18 ASN HB3 1 19 GLU H . . 3.970 3.196 2.756 3.738 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 19 GLU H 1 19 GLU HG2 . . 3.920 3.285 2.465 3.920 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 18 ASN H 1 19 GLU H . . 3.710 2.618 2.499 2.840 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 14 GLU H 1 14 GLU HB2 . . 3.340 2.589 2.433 2.713 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 21 LYS H 1 74 PHE HZ . . 4.610 4.010 2.962 4.759 0.149 20 0 "[ . 1 . 2 . 3]" 1
34 1 21 LYS H 1 21 LYS HB3 . . 3.920 2.730 2.435 3.500 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 21 LYS H 1 21 LYS HB2 . . 3.920 2.390 2.195 2.667 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 3 ASP H 1 4 ILE H . . 4.230 2.561 2.490 2.619 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 88 ASP H 1 89 SER H . . 4.380 3.391 2.140 4.402 0.022 30 0 "[ . 1 . 2 . 3]" 1
38 1 86 LYS HA 1 87 ASP H . . 3.230 3.110 2.656 3.421 0.191 9 0 "[ . 1 . 2 . 3]" 1
39 1 87 ASP H 1 87 ASP HB2 . . 3.980 2.863 2.235 3.930 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 89 SER H 1 89 SER QB . . 3.810 2.803 2.128 3.435 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 88 ASP QB 1 89 SER H . . 4.290 3.549 1.994 4.050 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 56 GLU H 1 56 GLU HB3 . . 3.490 2.906 2.349 3.465 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 56 GLU H 1 56 GLU HB2 . . 3.490 2.346 2.079 2.731 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 42 GLY H 1 43 LYS H . . 3.790 2.628 2.443 2.825 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 41 LEU H 1 43 LYS H . . 4.600 4.212 4.000 4.481 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 43 LYS H 1 44 VAL H . . 3.600 2.664 2.562 2.766 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 40 GLU HA 1 43 LYS H . . 4.130 3.370 3.132 3.650 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 40 GLU QB 1 43 LYS H . . 4.960 4.600 4.411 4.941 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 43 LYS H 1 43 LYS HB2 . . 3.380 2.385 2.074 3.506 0.126 22 0 "[ . 1 . 2 . 3]" 1
50 1 43 LYS H 1 43 LYS HG3 . . 4.060 3.565 3.139 4.071 0.011 8 0 "[ . 1 . 2 . 3]" 1
51 1 43 LYS H 1 43 LYS HG2 . . 4.060 3.642 2.363 4.092 0.032 9 0 "[ . 1 . 2 . 3]" 1
52 1 38 THR H 1 39 LYS H . . 4.410 2.760 2.692 2.822 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 38 THR MG 1 39 LYS H . . 4.580 2.071 1.929 2.207 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 21 LYS H 1 22 ALA H . . 3.780 2.549 2.389 2.727 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 18 ASN HA 1 22 ALA H . . 4.410 4.118 3.516 4.422 0.012 5 0 "[ . 1 . 2 . 3]" 1
56 1 21 LYS HB3 1 22 ALA H . . 3.850 2.779 2.515 3.536 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 21 LYS HB2 1 22 ALA H . . 3.850 3.777 3.049 3.901 0.051 16 0 "[ . 1 . 2 . 3]" 1
58 1 5 TYR H 1 6 LYS H . . 3.460 2.386 2.330 2.421 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 3 ASP HA 1 5 TYR H . . 4.470 3.998 3.803 4.100 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 5 TYR H 1 5 TYR HB2 . . 3.660 2.388 2.214 2.441 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 5 TYR H 1 5 TYR HB3 . . 3.660 3.601 3.511 3.617 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 4 ILE HB 1 5 TYR H . . 4.010 4.045 3.974 4.139 0.129 30 0 "[ . 1 . 2 . 3]" 1
63 1 4 ILE HG12 1 5 TYR H . . 4.360 4.049 3.908 4.233 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 76 GLU H 1 76 GLU HG2 . . 4.150 3.776 3.492 4.154 0.004 23 0 "[ . 1 . 2 . 3]" 1
65 1 75 ASP HB3 1 76 GLU H . . 4.420 3.017 2.131 3.856 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 76 GLU H 1 76 GLU HB2 . . 3.990 2.454 2.142 2.589 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 76 GLU H 1 76 GLU HB3 . . 3.990 3.578 3.455 3.612 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 65 ASP H 1 66 GLU H . . 4.480 4.278 3.943 4.381 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 64 VAL H 1 65 ASP H . . 3.500 2.505 2.385 2.575 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 65 ASP H 1 65 ASP HB3 . . 4.010 2.818 2.563 3.171 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 64 VAL HB 1 65 ASP H . . 3.820 2.527 2.315 3.860 0.040 24 0 "[ . 1 . 2 . 3]" 1
72 1 7 ALA H 1 8 ALA H . . 3.220 2.640 2.512 2.876 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 3 ASP HA 1 7 ALA H . . 4.550 3.919 3.509 4.589 0.039 30 0 "[ . 1 . 2 . 3]" 1
74 1 5 TYR HA 1 7 ALA H . . 4.400 4.169 3.861 4.438 0.038 18 0 "[ . 1 . 2 . 3]" 1
75 1 6 LYS HA 1 7 ALA H . . 3.510 3.498 3.452 3.548 0.038 14 0 "[ . 1 . 2 . 3]" 1
76 1 7 ALA H 1 10 GLU QB . . 5.190 4.854 4.492 5.213 0.023 16 0 "[ . 1 . 2 . 3]" 1
77 1 6 LYS QB 1 7 ALA H . . 3.630 3.102 2.520 3.578 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 6 LYS QD 1 7 ALA H . . 4.210 3.766 2.838 4.489 0.279 12 0 "[ . 1 . 2 . 3]" 1
79 1 8 ALA H 1 8 ALA MB . . 2.780 2.126 2.028 2.274 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 86 LYS H 1 87 ASP H . . 3.920 2.763 2.496 3.448 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 85 MET H 1 86 LYS H . . 3.310 2.488 2.381 2.605 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 79 VAL H 1 80 MET H . . 3.860 2.638 2.530 2.693 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 27 PHE H 1 27 PHE QE . . 4.660 4.650 4.299 4.723 0.063 18 0 "[ . 1 . 2 . 3]" 1
84 1 83 ARG HA 1 86 LYS H . . 3.560 3.473 3.267 3.602 0.042 8 0 "[ . 1 . 2 . 3]" 1
85 1 80 MET H 1 83 ARG QD . . 6.000 5.539 3.911 6.036 0.036 3 0 "[ . 1 . 2 . 3]" 1
86 1 80 MET H 1 80 MET QB . . 3.190 2.191 2.040 2.350 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 86 LYS H 1 86 LYS HB2 . . 3.630 2.569 2.081 3.616 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 26 ILE HB 1 27 PHE H . . 3.480 2.810 2.244 2.980 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 86 LYS H 1 86 LYS QD . . 3.750 3.516 2.082 4.011 0.261 13 0 "[ . 1 . 2 . 3]" 1
90 1 5 TYR H 1 6 LYS QB . . 4.540 4.399 4.168 4.615 0.075 12 0 "[ . 1 . 2 . 3]" 1
91 1 5 TYR H 1 7 ALA MB . . 6.000 4.623 4.414 5.093 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 5 TYR H 1 8 ALA MB . . 6.000 5.092 4.613 5.667 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 12 LEU H 1 13 THR H . . 4.620 4.576 4.551 4.623 0.003 16 0 "[ . 1 . 2 . 3]" 1
94 1 10 GLU HA 1 12 LEU H . . 4.290 3.579 3.495 3.834 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 9 VAL HA 1 12 LEU H . . 4.000 3.649 3.281 3.867 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 12 LEU H 1 12 LEU HG . . 3.210 2.583 2.191 2.749 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 12 LEU H 1 12 LEU HB2 . . 3.450 2.329 2.254 2.518 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 12 LEU H 1 12 LEU HB3 . . 3.680 3.558 3.534 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 4 ILE H 1 6 LYS H . . 4.030 4.114 4.054 4.185 0.155 30 0 "[ . 1 . 2 . 3]" 1
100 1 4 ILE H 1 5 TYR H . . 3.620 2.603 2.530 2.683 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 3 ASP HA 1 4 ILE H . . 3.390 3.456 3.449 3.461 0.071 5 0 "[ . 1 . 2 . 3]" 1
102 1 4 ILE H 1 5 TYR HA . . 5.400 5.238 5.181 5.296 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 4 ILE H 1 4 ILE HB . . 3.280 2.636 2.561 2.705 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 4 ILE H 1 4 ILE MG . . 3.380 1.983 1.899 2.137 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 36 ILE MG 1 41 LEU H . . 3.800 3.146 2.999 3.276 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 64 VAL MG1 1 65 ASP H . . 3.820 3.284 3.050 3.896 0.076 11 0 "[ . 1 . 2 . 3]" 1
107 1 5 TYR QD 1 6 LYS H . . 4.600 4.424 4.313 4.544 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 5 TYR HB3 1 6 LYS H . . 3.970 3.602 3.469 3.823 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 16 GLN H 1 17 LYS H . . 4.170 2.779 2.660 2.884 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 16 GLN HB2 1 17 LYS H . . 3.970 2.512 2.199 2.880 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 17 LYS H 1 17 LYS QB . . 3.630 2.255 2.038 2.581 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 20 PHE H 1 21 LYS H . . 4.020 2.635 2.567 2.759 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 19 GLU H 1 20 PHE H . . 3.680 2.637 2.511 2.823 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 20 PHE H 1 20 PHE QD . . 4.050 2.854 2.307 3.341 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 17 LYS HA 1 20 PHE H . . 4.060 3.535 3.291 3.902 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 62 ASP H 1 62 ASP HB3 . . 3.820 2.609 2.465 2.813 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 61 ILE HG13 1 62 ASP H . . 4.860 4.481 4.429 4.670 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 56 GLU H 1 57 LEU H . . 3.800 2.646 2.573 2.758 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 56 GLU HB3 1 57 LEU H . . 3.890 2.857 2.237 3.469 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 56 GLU HB2 1 57 LEU H . . 3.890 3.508 2.730 3.905 0.015 19 0 "[ . 1 . 2 . 3]" 1
121 1 57 LEU H 1 57 LEU HB2 . . 3.900 2.420 2.086 3.515 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 57 LEU H 1 57 LEU HB3 . . 3.900 3.508 2.219 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 57 LEU H 1 57 LEU MD1 . . 4.370 3.209 1.907 4.085 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 41 LEU H 1 41 LEU HB3 . . 3.670 2.472 2.396 2.536 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 41 LEU H 1 41 LEU HB2 . . 3.840 2.539 2.475 2.620 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 44 VAL HA 1 46 ARG H . . 4.490 3.899 3.566 4.394 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 45 MET H 1 46 ARG H . . 3.860 2.745 2.536 2.810 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 43 LYS HA 1 46 ARG H . . 4.000 3.731 3.377 3.946 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 46 ARG H 1 46 ARG HB3 . . 3.910 2.964 2.185 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 46 ARG H 1 46 ARG HG3 . . 4.200 3.160 2.005 4.024 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 61 ILE H 1 62 ASP H . . 4.200 2.512 2.378 2.700 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 61 ILE H 1 61 ILE HB . . 3.660 2.433 2.285 2.482 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 61 ILE H 1 61 ILE HG13 . . 3.940 2.359 2.207 2.714 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 61 ILE H 1 61 ILE HG12 . . 4.330 3.564 3.414 3.877 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 5 TYR HB2 1 6 LYS H . . 3.970 2.673 2.537 2.900 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 6 LYS H 1 6 LYS QB . . 3.090 2.365 2.191 2.653 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 15 GLU H 1 16 GLN H . . 3.620 2.657 2.571 2.771 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 16 GLN H 1 16 GLN HB2 . . 3.150 2.317 2.077 2.571 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 44 VAL H 1 44 VAL HB . . 3.300 2.513 2.192 2.687 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 20 PHE H 1 23 ALA MB . . 4.820 4.681 4.463 4.839 0.019 15 0 "[ . 1 . 2 . 3]" 1
141 1 80 MET H 1 81 MET H . . 3.970 2.871 2.780 3.023 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 80 MET QB 1 81 MET H . . 3.860 2.437 2.167 2.716 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 81 MET H 1 82 ALA MB . . 4.290 4.193 4.124 4.302 0.012 25 0 "[ . 1 . 2 . 3]" 1
144 1 78 LEU H 1 78 LEU HB3 . . 4.040 3.266 2.888 3.575 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 78 LEU H 1 78 LEU HB2 . . 4.040 2.160 2.060 2.405 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 78 LEU H 1 78 LEU MD1 . . 4.580 3.669 2.984 4.264 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 85 MET H 1 87 ASP H . . 4.540 4.187 3.581 4.691 0.151 14 0 "[ . 1 . 2 . 3]" 1
148 1 84 CYS H 1 85 MET H . . 3.520 2.537 2.497 2.572 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 83 ARG HA 1 85 MET H . . 3.870 3.671 3.546 3.896 0.026 18 0 "[ . 1 . 2 . 3]" 1
150 1 84 CYS HB2 1 85 MET H . . 4.120 3.923 3.114 4.141 0.021 12 0 "[ . 1 . 2 . 3]" 1
151 1 84 CYS HB3 1 85 MET H . . 4.120 3.302 3.011 4.153 0.033 15 0 "[ . 1 . 2 . 3]" 1
152 1 85 MET H 1 85 MET HG2 . . 4.000 2.962 2.211 4.169 0.169 25 0 "[ . 1 . 2 . 3]" 1
153 1 85 MET H 1 85 MET QB . . 2.980 2.326 2.071 2.484 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 82 ALA MB 1 85 MET H . . 4.740 4.427 4.302 4.601 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 10 GLU H 1 10 GLU HG2 . . 3.630 3.361 2.519 3.633 0.003 16 0 "[ . 1 . 2 . 3]" 1
156 1 10 GLU H 1 10 GLU HG3 . . 3.630 3.267 2.584 3.901 0.271 27 0 "[ . 1 . 2 . 3]" 1
157 1 10 GLU H 1 10 GLU QB . . 2.830 2.185 2.091 2.319 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 7 ALA MB 1 10 GLU H . . 4.970 4.691 4.483 4.947 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 8 ALA MB 1 10 GLU H . . 5.270 4.485 4.248 4.855 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 9 VAL MG1 1 10 GLU H . . 4.060 3.188 1.975 4.110 0.050 29 0 "[ . 1 . 2 . 3]" 1
161 1 58 GLN H 1 59 GLU H . . 3.510 2.622 2.558 2.688 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 23 ALA H 1 24 PHE H . . 4.100 2.645 2.344 2.889 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 40 GLU H 1 41 LEU H . . 3.800 2.454 2.403 2.494 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 40 GLU H 1 40 GLU QB . . 3.350 2.516 2.134 2.611 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 40 GLU H 1 41 LEU HB2 . . 5.000 4.793 4.726 4.859 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 36 ILE MG 1 40 GLU H . . 4.670 4.441 4.309 4.507 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 26 ILE H 1 27 PHE H . . 4.020 2.585 2.377 2.710 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 25 ASP HB3 1 26 ILE H . . 4.360 2.660 2.517 3.063 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 25 ASP HB2 1 26 ILE H . . 4.360 3.836 3.631 4.051 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 14 GLU H 1 15 GLU H . . 3.940 2.768 2.566 2.892 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 13 THR HA 1 15 GLU H . . 4.220 4.264 4.111 4.383 0.163 15 0 "[ . 1 . 2 . 3]" 1
172 1 15 GLU H 1 15 GLU HG2 . . 4.180 3.012 1.986 4.036 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 13 THR MG 1 15 GLU H . . 4.260 2.842 1.862 4.254 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 24 PHE QE 1 74 PHE H . . 4.370 3.445 2.982 4.022 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 73 ASP HB3 1 74 PHE H . . 4.050 2.687 1.945 3.697 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 49 GLY H 1 50 GLN H . . 3.560 2.075 1.969 2.297 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 48 LEU H 1 50 GLN H . . 4.400 3.743 3.633 3.862 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 46 ARG HA 1 50 GLN H . . 3.800 3.395 2.961 3.813 0.013 29 0 "[ . 1 . 2 . 3]" 1
179 1 50 GLN H 1 50 GLN HB3 . . 3.950 3.658 2.591 3.835 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 50 GLN H 1 50 GLN HB2 . . 3.950 2.703 2.335 3.886 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 78 LEU H 1 79 VAL H . . 4.130 2.678 2.464 2.909 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 76 GLU HA 1 79 VAL H . . 4.280 3.581 3.268 3.819 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 79 VAL H 1 79 VAL HB . . 3.660 3.261 2.188 3.617 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 78 LEU HB2 1 79 VAL H . . 4.320 2.961 2.368 3.428 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 78 LEU HB3 1 79 VAL H . . 4.320 2.843 2.372 3.311 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 79 VAL H 1 79 VAL MG1 . . 3.840 2.445 1.926 3.764 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 58 GLN H 1 58 GLN HB2 . . 3.170 2.715 2.675 2.767 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 57 LEU HB3 1 58 GLN H . . 4.240 3.195 2.768 3.713 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 57 LEU MD1 1 58 GLN H . . 4.650 4.148 3.128 4.567 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 55 GLU H 1 56 GLU H . . 3.690 2.638 2.582 2.788 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 54 PRO HB3 1 55 GLU H . . 4.180 3.945 3.884 4.118 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 55 GLU H 1 55 GLU HG2 . . 4.170 3.121 1.947 3.688 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 54 PRO HB2 1 55 GLU H . . 3.250 2.994 2.888 3.293 0.043 22 0 "[ . 1 . 2 . 3]" 1
194 1 53 THR MG 1 55 GLU H . . 4.260 3.760 1.896 4.256 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 24 PHE H 1 25 ASP H . . 4.060 2.587 2.440 2.743 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 25 ASP H 1 26 ILE H . . 4.020 2.629 2.557 2.738 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 25 ASP H 1 25 ASP HB3 . . 3.600 2.620 2.449 2.827 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 25 ASP H 1 25 ASP HB2 . . 3.600 2.459 2.278 2.626 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 25 ASP H 1 26 ILE HB . . 5.000 4.858 4.762 5.095 0.095 5 0 "[ . 1 . 2 . 3]" 1
200 1 23 ALA MB 1 25 ASP H . . 4.640 4.504 4.222 4.662 0.022 17 0 "[ . 1 . 2 . 3]" 1
201 1 22 ALA MB 1 25 ASP H . . 4.910 4.570 4.406 4.870 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 17 LYS H 1 18 ASN H . . 3.870 2.694 2.555 2.789 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 18 ASN H 1 18 ASN HB2 . . 3.620 2.292 2.073 2.941 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 16 GLN HB2 1 18 ASN H . . 5.330 4.865 4.665 5.175 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 17 LYS QB 1 18 ASN H . . 3.670 2.726 2.552 3.025 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 17 LYS QD 1 18 ASN H . . 4.910 4.733 4.338 5.033 0.123 23 0 "[ . 1 . 2 . 3]" 1
207 1 83 ARG H 1 84 CYS H . . 3.480 2.596 2.514 2.624 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 84 CYS H 1 86 LYS H . . 4.670 4.330 4.115 4.672 0.002 3 0 "[ . 1 . 2 . 3]" 1
209 1 81 MET HA 1 84 CYS H . . 3.970 3.480 3.247 3.637 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 84 CYS H 1 84 CYS HB2 . . 3.710 2.418 2.164 2.547 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 82 ALA MB 1 84 CYS H . . 4.570 4.359 4.181 4.503 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 80 MET H 1 83 ARG H . . 5.230 4.968 4.704 5.272 0.042 24 0 "[ . 1 . 2 . 3]" 1
213 1 80 MET HA 1 83 ARG H . . 4.450 3.767 3.618 4.039 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 83 ARG H 1 83 ARG QD . . 4.300 3.932 3.220 4.364 0.064 9 0 "[ . 1 . 2 . 3]" 1
215 1 83 ARG H 1 85 MET QB . . 5.530 5.259 4.844 5.399 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 83 ARG H 1 83 ARG HB2 . . 4.000 2.676 2.067 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 82 ALA MB 1 83 ARG H . . 3.390 2.823 2.391 3.003 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 48 LEU H 1 48 LEU HB2 . . 3.390 2.326 2.101 2.759 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 48 LEU H 1 48 LEU HB3 . . 3.840 3.530 3.386 3.598 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 48 LEU H 1 48 LEU MD1 . . 4.000 3.129 2.030 3.807 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 62 ASP H 1 63 GLU H . . 3.880 2.704 2.518 2.822 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 62 ASP HB3 1 63 GLU H . . 3.890 2.418 2.277 2.720 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 62 ASP HB2 1 63 GLU H . . 3.910 3.718 3.583 3.827 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 63 GLU H 1 63 GLU HB3 . . 3.280 3.175 2.295 3.392 0.112 9 0 "[ . 1 . 2 . 3]" 1
225 1 50 GLN QG 1 51 ASN H . . 3.920 3.657 1.933 3.923 0.003 4 0 "[ . 1 . 2 . 3]" 1
226 1 50 GLN HB2 1 51 ASN H . . 4.790 3.835 2.828 4.152 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 69 SER H 1 70 GLY H . . 3.650 2.478 2.425 2.551 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 67 ASP H 1 69 SER H . . 4.270 3.951 3.864 4.096 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 68 GLY H 1 69 SER H . . 3.560 2.840 2.783 2.914 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 74 PHE H 1 75 ASP H . . 4.070 2.740 2.544 2.888 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 75 ASP H 1 76 GLU H . . 3.760 2.788 2.517 2.934 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 75 ASP H 1 75 ASP HB2 . . 3.830 2.478 2.196 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 9 VAL H 1 11 GLN H . . 4.680 3.967 3.746 4.083 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 6 LYS HA 1 9 VAL H . . 4.060 3.506 3.199 3.942 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 9 VAL H 1 9 VAL HB . . 3.210 2.921 2.301 3.609 0.399 24 0 "[ . 1 . 2 . 3]" 1
236 1 8 ALA MB 1 9 VAL H . . 3.290 2.646 2.350 2.954 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 44 VAL H 1 45 MET H . . 3.990 2.697 2.576 2.780 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 43 LYS HA 1 45 MET H . . 4.470 4.021 3.854 4.326 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 42 GLY HA2 1 45 MET H . . 4.900 3.565 3.391 3.746 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 45 MET H 1 45 MET QG . . 3.570 2.090 1.923 2.275 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 45 MET H 1 45 MET HB3 . . 3.880 3.586 3.576 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 45 MET H 1 45 MET HB2 . . 3.880 2.603 2.494 2.720 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 44 VAL MG2 1 45 MET H . . 4.190 3.945 3.781 4.176 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 10 GLU H 1 11 GLN H . . 3.630 2.537 2.488 2.587 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 9 VAL HA 1 11 GLN H . . 4.460 3.982 3.688 4.126 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 11 GLN H 1 11 GLN HG2 . . 3.750 2.382 1.945 2.744 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 11 GLN H 1 11 GLN HB3 . . 3.630 3.098 2.369 3.657 0.027 9 0 "[ . 1 . 2 . 3]" 1
248 1 11 GLN H 1 11 GLN HB2 . . 3.630 3.186 2.508 3.652 0.022 28 0 "[ . 1 . 2 . 3]" 1
249 1 11 GLN H 1 12 LEU HB2 . . 4.620 4.618 4.399 4.761 0.141 28 0 "[ . 1 . 2 . 3]" 1
250 1 8 ALA MB 1 11 GLN H . . 4.680 4.561 4.450 4.660 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 7 ALA MB 1 11 GLN H . . 5.170 5.025 4.698 5.301 0.131 27 0 "[ . 1 . 2 . 3]" 1
252 1 66 GLU H 1 67 ASP H . . 3.620 2.574 2.517 2.645 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 67 ASP H 1 67 ASP HB3 . . 3.970 2.968 2.536 3.074 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 67 ASP H 1 67 ASP HB2 . . 3.970 3.615 3.597 3.670 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 66 GLU HB2 1 67 ASP H . . 4.520 3.579 2.600 4.088 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 37 SER HB2 1 38 THR H . . 4.160 3.241 2.609 4.152 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 64 VAL H 1 64 VAL HB . . 3.860 2.536 2.433 3.646 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 34 GLY H 1 35 CYS H . . 3.900 2.309 2.121 2.938 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 13 THR H 1 16 GLN H . . 4.450 3.698 3.374 4.214 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 13 THR H 1 16 GLN HA . . 5.600 5.239 4.836 5.623 0.023 30 0 "[ . 1 . 2 . 3]" 1
261 1 53 THR H 1 54 PRO HD2 . . 6.000 4.747 4.709 4.834 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 53 THR H 1 54 PRO HD3 . . 6.000 5.041 4.968 5.089 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 12 LEU HB2 1 13 THR H . . 3.490 3.499 3.355 3.590 0.100 16 0 "[ . 1 . 2 . 3]" 1
264 1 13 THR H 1 13 THR MG . . 3.380 2.315 1.892 3.785 0.405 5 0 "[ . 1 . 2 . 3]" 1
265 1 12 LEU HB3 1 13 THR H . . 4.040 2.136 2.031 2.417 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 66 GLU H 1 68 GLY H . . 4.550 3.761 3.610 3.970 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 67 ASP H 1 68 GLY H . . 3.470 2.245 2.219 2.299 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 66 GLU HA 1 68 GLY H . . 4.160 3.984 3.771 4.089 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 70 GLY H 1 71 THR H . . 3.840 2.257 2.110 2.543 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 48 LEU H 1 49 GLY H . . 3.870 2.491 2.421 2.540 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 46 ARG HA 1 49 GLY H . . 4.420 3.409 3.269 3.530 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 49 GLY H 1 50 GLN QG . . 6.000 4.721 3.646 5.979 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 48 LEU HB2 1 49 GLY H . . 4.070 3.078 2.976 3.230 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 48 LEU HB3 1 49 GLY H . . 4.570 3.803 3.474 4.144 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 41 LEU H 1 42 GLY H . . 4.220 2.718 2.617 2.837 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 39 LYS HA 1 42 GLY H . . 4.080 4.001 3.851 4.093 0.013 21 0 "[ . 1 . 2 . 3]" 1
277 1 41 LEU HG 1 42 GLY H . . 4.010 3.889 3.456 4.029 0.019 3 0 "[ . 1 . 2 . 3]" 1
278 1 41 LEU HB2 1 42 GLY H . . 4.350 3.998 3.795 4.133 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 42 GLY H 1 57 LEU MD1 . . 4.340 3.219 2.383 4.351 0.011 7 0 "[ . 1 . 2 . 3]" 1
280 1 33 ASP H 1 34 GLY H . . 4.670 2.291 2.030 2.551 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 6 LYS H 1 6 LYS HG2 . . 3.780 3.317 1.967 4.083 0.303 11 0 "[ . 1 . 2 . 3]" 1
282 1 6 LYS H 1 6 LYS HG3 . . 3.780 2.974 2.501 3.790 0.010 14 0 "[ . 1 . 2 . 3]" 1
283 1 17 LYS H 1 17 LYS QD . . 3.780 3.064 2.191 3.798 0.018 23 0 "[ . 1 . 2 . 3]" 1
284 1 38 THR HB 1 39 LYS H . . 4.340 4.180 4.116 4.238 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 39 LYS H 1 40 GLU H . . 4.020 2.730 2.634 2.812 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 37 SER H 1 40 GLU H . . 4.670 3.871 3.742 3.988 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 40 GLU QB 1 41 LEU H . . 3.910 2.722 2.567 2.879 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 45 MET HA 1 48 LEU H . . 4.020 3.342 3.272 3.536 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 48 LEU HB2 1 50 GLN H . . 3.890 3.186 2.679 3.680 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 57 LEU HB2 1 58 GLN H . . 4.240 2.454 2.228 4.074 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 59 GLU H 1 59 GLU QB . . 2.900 2.157 2.044 2.441 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 59 GLU QB 1 60 MET H . . 3.190 2.318 2.234 2.501 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 36 ILE H 1 72 VAL H . . 5.160 3.006 2.229 3.630 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 79 VAL MG1 1 80 MET H . . 4.100 3.603 2.178 4.087 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 78 LEU HA 1 81 MET H . . 3.810 3.838 3.684 4.012 0.202 18 0 "[ . 1 . 2 . 3]" 1
296 1 84 CYS H 1 84 CYS HB3 . . 3.710 2.813 2.579 3.599 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 24 PHE QE 1 77 TRP H . . 4.690 4.450 3.834 4.696 0.006 17 0 "[ . 1 . 2 . 3]" 1
298 1 24 PHE HZ 1 74 PHE H . . 4.650 2.881 2.448 3.700 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 37 SER HB3 1 38 THR H . . 4.160 3.885 2.963 4.168 0.008 26 0 "[ . 1 . 2 . 3]" 1
300 1 29 LEU H 1 30 GLY H . . 4.720 2.677 2.595 2.779 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 28 VAL HB 1 31 ALA H . . 4.700 4.070 3.690 4.929 0.229 9 0 "[ . 1 . 2 . 3]" 1
302 1 73 ASP H 1 76 GLU HA . . 5.490 5.106 4.831 5.433 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 73 ASP H 1 77 TRP HA . . 6.000 5.516 5.326 5.669 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 73 ASP H 1 76 GLU H . . 4.980 3.441 3.290 3.598 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 72 VAL H 1 73 ASP H . . 4.730 4.448 4.350 4.516 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 36 ILE HB 1 37 SER H . . 5.090 4.304 4.188 4.359 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 36 ILE MD 1 37 SER H . . 5.580 5.357 5.262 5.423 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 75 ASP H 1 77 TRP H . . 4.790 3.852 3.644 4.064 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 28 VAL HB 1 35 CYS H . . 4.890 2.907 2.674 3.909 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 33 ASP H 1 35 CYS H . . 5.030 4.055 3.390 4.557 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 35 CYS H 1 36 ILE H . . 4.870 4.402 4.389 4.410 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 28 VAL HA 1 31 ALA H . . 4.310 3.071 2.835 4.323 0.013 15 0 "[ . 1 . 2 . 3]" 1
313 1 29 LEU H 1 31 ALA H . . 5.240 4.190 4.037 4.704 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 5 TYR H 1 5 TYR QE . . 4.980 4.841 4.730 4.955 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 13 THR MG 1 17 LYS H . . 5.430 4.237 3.544 5.555 0.125 15 0 "[ . 1 . 2 . 3]" 1
316 1 12 LEU HB3 1 17 LYS H . . 4.720 3.863 3.492 4.225 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 24 PHE QE 1 75 ASP H . . 5.650 5.250 4.942 5.658 0.008 2 0 "[ . 1 . 2 . 3]" 1
318 1 67 ASP HB3 1 68 GLY H . . 4.750 4.363 4.106 4.413 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 67 ASP HB2 1 68 GLY H . . 4.750 4.128 4.068 4.393 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 24 PHE QE 1 36 ILE H . . 5.050 4.618 4.249 5.055 0.005 13 0 "[ . 1 . 2 . 3]" 1
321 1 24 PHE QE 1 25 ASP H . . 5.790 5.657 5.253 5.818 0.028 29 0 "[ . 1 . 2 . 3]" 1
322 1 74 PHE QD 1 78 LEU H . . 5.040 4.111 3.642 4.907 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 79 VAL H 1 82 ALA H . . 5.070 4.987 4.760 5.117 0.047 20 0 "[ . 1 . 2 . 3]" 1
324 1 4 ILE H 1 5 TYR QD . . 5.040 4.996 4.099 5.098 0.058 2 0 "[ . 1 . 2 . 3]" 1
325 1 20 PHE QD 1 78 LEU H . . 6.000 5.966 5.302 6.147 0.147 12 0 "[ . 1 . 2 . 3]" 1
326 1 24 PHE QE 1 78 LEU H . . 6.000 5.773 5.183 6.019 0.019 26 0 "[ . 1 . 2 . 3]" 1
327 1 23 ALA MB 1 77 TRP HZ2 . . 3.550 3.448 2.363 3.625 0.075 30 0 "[ . 1 . 2 . 3]" 1
328 1 5 TYR HA 1 5 TYR QD . . 2.990 2.066 1.968 3.065 0.075 24 0 "[ . 1 . 2 . 3]" 1
329 1 5 TYR QD 1 79 VAL HB . . 5.390 4.686 3.136 5.406 0.016 13 0 "[ . 1 . 2 . 3]" 1
330 1 5 TYR QD 1 85 MET QB . . 5.750 4.944 4.519 5.557 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 5 TYR QD 1 82 ALA MB . . 3.510 3.305 2.527 3.628 0.118 28 0 "[ . 1 . 2 . 3]" 1
332 1 4 ILE HG12 1 5 TYR QD . . 3.850 3.716 3.157 3.828 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 4 ILE MG 1 5 TYR QD . . 3.950 3.029 1.894 3.258 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 21 LYS HA 1 74 PHE QD . . 4.140 3.863 3.412 4.307 0.167 23 0 "[ . 1 . 2 . 3]" 1
335 1 74 PHE HA 1 74 PHE QD . . 3.180 2.088 1.977 2.325 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 74 PHE QD 1 78 LEU HG . . 4.380 3.860 2.735 4.424 0.044 24 0 "[ . 1 . 2 . 3]" 1
337 1 24 PHE QE 1 28 VAL HB . . 4.740 4.517 2.848 4.759 0.019 5 0 "[ . 1 . 2 . 3]" 1
338 1 24 PHE QE 1 36 ILE HG13 . . 4.980 4.291 3.217 4.806 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 27 PHE HA 1 27 PHE QD . . 3.920 2.854 2.658 3.071 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 23 ALA MB 1 27 PHE QD . . 4.440 3.787 2.999 4.071 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 27 PHE QD 1 44 VAL MG2 . . 4.510 3.641 2.871 4.071 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 16 GLN HB2 1 20 PHE QD . . 5.460 5.131 3.843 5.511 0.051 29 0 "[ . 1 . 2 . 3]" 1
343 1 27 PHE QE 1 44 VAL HB . . 4.500 3.983 3.087 4.518 0.018 29 0 "[ . 1 . 2 . 3]" 1
344 1 16 GLN HB3 1 20 PHE QD . . 4.510 4.013 2.444 4.594 0.084 15 0 "[ . 1 . 2 . 3]" 1
345 1 27 PHE QE 1 44 VAL MG1 . . 4.210 2.797 1.973 3.347 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 20 PHE HA 1 20 PHE QD . . 3.610 2.364 1.977 3.628 0.018 15 0 "[ . 1 . 2 . 3]" 1
347 1 20 PHE QD 1 78 LEU HG . . 5.020 3.405 1.974 4.615 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 77 TRP HA 1 77 TRP HD1 . . 4.230 3.382 2.998 3.483 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 36 ILE MD 1 77 TRP HD1 . . 4.380 2.502 1.993 3.115 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 77 TRP HA 1 77 TRP HE3 . . 4.070 4.214 4.157 4.423 0.353 15 0 "[ . 1 . 2 . 3]" 1
351 1 77 TRP HE3 1 78 LEU HA . . 3.760 2.426 2.113 3.530 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 77 TRP HE3 1 81 MET ME . . 4.530 4.053 3.459 4.544 0.014 12 0 "[ . 1 . 2 . 3]" 1
353 1 5 TYR QE 1 83 ARG HA . . 3.670 2.717 1.971 3.309 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 4 ILE HG12 1 5 TYR QE . . 3.950 3.972 3.892 4.027 0.077 9 0 "[ . 1 . 2 . 3]" 1
355 1 4 ILE MG 1 5 TYR QE . . 3.760 3.341 2.741 3.560 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 5 TYR QE 1 85 MET QB . . 5.330 5.352 5.314 5.401 0.071 28 0 "[ . 1 . 2 . 3]" 1
357 1 5 TYR QE 1 86 LYS QD . . 4.690 3.276 1.895 4.694 0.004 5 0 "[ . 1 . 2 . 3]" 1
358 1 5 TYR H 1 5 TYR QD . . 3.630 3.318 2.533 3.432 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 74 PHE QD 1 75 ASP H . . 4.200 4.219 3.980 4.376 0.176 15 0 "[ . 1 . 2 . 3]" 1
360 1 24 PHE QE 1 74 PHE QD . . 4.120 3.825 2.865 4.183 0.063 30 0 "[ . 1 . 2 . 3]" 1
361 1 27 PHE H 1 27 PHE QD . . 4.320 2.346 1.933 2.743 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 77 TRP HE3 1 78 LEU H . . 4.350 3.232 2.679 4.322 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 24 PHE QD 1 77 TRP HE3 . . 4.350 4.013 3.179 4.361 0.011 28 0 "[ . 1 . 2 . 3]" 1
364 1 74 PHE H 1 74 PHE QD . . 4.000 4.120 3.931 4.179 0.179 6 0 "[ . 1 . 2 . 3]" 1
365 1 74 PHE QD 1 77 TRP HE3 . . 3.570 3.658 3.604 3.750 0.180 15 0 "[ . 1 . 2 . 3]" 1
366 1 31 ALA MB 1 34 GLY H . . 4.320 2.306 1.999 2.995 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 31 ALA H 1 31 ALA MB . . 3.630 2.206 2.053 2.830 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 28 VAL HA 1 31 ALA MB . . 3.970 2.806 2.380 3.203 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 28 VAL HB 1 31 ALA MB . . 3.850 2.766 2.212 3.840 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 28 VAL MG1 1 31 ALA MB . . 4.430 3.568 3.071 4.156 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 31 ALA MB 1 35 CYS H . . 4.220 2.092 1.890 2.439 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 23 ALA MB 1 24 PHE H . . 3.460 2.825 2.400 3.056 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 22 ALA H 1 23 ALA MB . . 4.230 4.180 3.984 4.300 0.070 21 0 "[ . 1 . 2 . 3]" 1
374 1 23 ALA H 1 23 ALA MB . . 3.000 2.116 2.025 2.260 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 23 ALA MB 1 27 PHE QE . . 3.690 3.444 2.572 3.693 0.003 5 0 "[ . 1 . 2 . 3]" 1
376 1 23 ALA MB 1 77 TRP HH2 . . 3.740 2.959 2.068 3.740 0.000 23 0 "[ . 1 . 2 . 3]" 1
377 1 20 PHE HA 1 23 ALA MB . . 3.580 2.925 2.358 3.258 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 5 TYR QD 1 8 ALA MB . . 4.500 3.907 3.338 4.532 0.032 30 0 "[ . 1 . 2 . 3]" 1
379 1 5 TYR HA 1 8 ALA MB . . 3.390 2.940 2.350 3.382 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 41 LEU HB3 1 42 GLY HA3 . . 5.130 4.620 4.461 4.802 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 41 LEU HG 1 42 GLY HA3 . . 5.770 4.920 4.678 5.116 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 42 GLY HA2 1 45 MET HB3 . . 4.430 4.477 4.384 4.570 0.140 27 0 "[ . 1 . 2 . 3]" 1
383 1 42 GLY HA2 1 45 MET HB2 . . 4.430 3.433 3.106 3.729 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 42 GLY HA2 1 57 LEU MD2 . . 3.610 2.372 1.959 3.315 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 7 ALA H 1 7 ALA MB . . 2.680 2.131 2.047 2.228 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 7 ALA MB 1 8 ALA H . . 3.220 2.691 2.232 3.118 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 82 ALA H 1 82 ALA MB . . 2.910 2.056 2.023 2.231 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 79 VAL HA 1 82 ALA MB . . 3.340 2.267 1.976 2.530 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 22 ALA H 1 22 ALA MB . . 2.840 2.178 2.048 2.261 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 22 ALA MB 1 23 ALA H . . 3.270 2.411 2.079 2.921 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 21 LYS H 1 22 ALA MB . . 4.610 4.222 4.027 4.436 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 45 MET H 1 45 MET ME . . 3.830 3.869 3.748 3.940 0.110 29 0 "[ . 1 . 2 . 3]" 1
393 1 45 MET ME 1 49 GLY H . . 5.170 4.928 4.650 5.179 0.009 24 0 "[ . 1 . 2 . 3]" 1
394 1 45 MET HA 1 45 MET ME . . 3.220 1.938 1.907 1.969 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 80 MET ME 1 81 MET H . . 4.100 3.964 3.769 4.116 0.016 2 0 "[ . 1 . 2 . 3]" 1
396 1 80 MET H 1 80 MET ME . . 3.730 3.781 3.499 3.847 0.117 3 0 "[ . 1 . 2 . 3]" 1
397 1 77 TRP HE3 1 80 MET ME . . 4.780 4.537 4.016 4.788 0.008 25 0 "[ . 1 . 2 . 3]" 1
398 1 77 TRP HD1 1 80 MET ME . . 3.240 2.661 2.340 2.912 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 77 TRP HA 1 80 MET ME . . 3.300 1.998 1.884 2.528 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 36 ILE H 1 36 ILE MG . . 4.250 3.878 3.853 3.922 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 36 ILE MG 1 37 SER HA . . 4.400 4.007 3.879 4.140 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 36 ILE HA 1 36 ILE MG . . 3.370 2.329 2.240 2.375 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 36 ILE MG 1 40 GLU QB . . 3.030 3.007 2.759 3.046 0.016 20 0 "[ . 1 . 2 . 3]" 1
404 1 36 ILE MG 1 41 LEU HB3 . . 3.410 3.451 3.426 3.474 0.064 25 0 "[ . 1 . 2 . 3]" 1
405 1 36 ILE MG 1 41 LEU HB2 . . 3.470 1.982 1.931 2.073 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 36 ILE HG13 1 36 ILE MG . . 3.310 3.054 2.930 3.194 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 36 ILE MD 1 36 ILE MG . . 2.820 2.629 1.964 2.855 0.035 20 0 "[ . 1 . 2 . 3]" 1
408 1 81 MET H 1 81 MET ME . . 4.090 3.531 2.850 4.159 0.069 16 0 "[ . 1 . 2 . 3]" 1
409 1 77 TRP HZ2 1 81 MET ME . . 3.940 3.237 2.586 3.948 0.008 17 0 "[ . 1 . 2 . 3]" 1
410 1 20 PHE QD 1 81 MET ME . . 3.440 3.130 2.565 3.523 0.083 20 0 "[ . 1 . 2 . 3]" 1
411 1 81 MET HA 1 81 MET ME . . 3.550 3.567 3.065 3.895 0.345 18 0 "[ . 1 . 2 . 3]" 1
412 1 78 LEU HA 1 81 MET ME . . 4.410 4.233 3.577 4.433 0.023 16 0 "[ . 1 . 2 . 3]" 1
413 1 36 ILE MG 1 37 SER H . . 3.860 2.880 2.694 3.019 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 27 PHE QE 1 36 ILE MG . . 4.540 4.475 3.933 4.559 0.019 26 0 "[ . 1 . 2 . 3]" 1
415 1 36 ILE MG 1 40 GLU HA . . 5.360 5.297 5.073 5.394 0.034 30 0 "[ . 1 . 2 . 3]" 1
416 1 4 ILE MG 1 5 TYR H . . 3.760 2.054 1.912 2.213 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 4 ILE HA 1 4 ILE MG . . 3.200 3.191 3.178 3.202 0.002 13 0 "[ . 1 . 2 . 3]" 1
418 1 26 ILE MG 1 27 PHE H . . 3.880 3.563 3.430 3.663 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 26 ILE H 1 26 ILE MG . . 3.710 3.760 3.746 3.767 0.057 30 0 "[ . 1 . 2 . 3]" 1
420 1 26 ILE MG 1 27 PHE HA . . 3.770 3.492 3.368 3.753 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 26 ILE HA 1 26 ILE MG . . 3.260 2.384 2.257 2.423 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 26 ILE HG13 1 26 ILE MG . . 3.410 2.829 2.291 3.203 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 61 ILE MG 1 62 ASP H . . 3.950 3.620 3.267 3.697 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 61 ILE MG 1 65 ASP H . . 4.040 3.274 3.018 3.617 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 61 ILE H 1 61 ILE MG . . 3.750 3.747 3.670 3.759 0.009 3 0 "[ . 1 . 2 . 3]" 1
426 1 61 ILE MG 1 71 THR HA . . 3.770 3.130 2.926 3.355 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 58 GLN HA 1 61 ILE MG . . 3.880 3.577 3.374 3.861 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 61 ILE HA 1 61 ILE MG . . 3.310 2.440 2.369 2.561 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 61 ILE MG 1 65 ASP HB3 . . 3.650 3.641 3.450 3.685 0.035 20 0 "[ . 1 . 2 . 3]" 1
430 1 61 ILE MG 1 65 ASP HB2 . . 3.650 2.501 2.410 2.682 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 58 GLN HB2 1 61 ILE MG . . 4.900 4.964 4.938 5.004 0.104 20 0 "[ . 1 . 2 . 3]" 1
432 1 61 ILE MG 1 64 VAL HB . . 5.370 3.416 3.009 5.128 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 61 ILE HG13 1 61 ILE MG . . 3.370 3.202 3.190 3.203 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 61 ILE MG 1 65 ASP HA . . 4.320 4.358 4.341 4.406 0.086 18 0 "[ . 1 . 2 . 3]" 1
435 1 31 ALA MB 1 34 GLY HA2 . . 4.550 3.066 2.756 3.546 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 36 ILE H 1 36 ILE MD . . 4.220 3.341 2.859 3.918 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 24 PHE QE 1 36 ILE MD . . 3.520 2.425 2.029 2.986 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 27 PHE QD 1 36 ILE MD . . 3.900 2.785 1.975 3.594 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 24 PHE QD 1 36 ILE MD . . 4.130 2.949 2.487 3.291 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 36 ILE HA 1 36 ILE MD . . 3.870 3.814 3.711 3.882 0.012 24 0 "[ . 1 . 2 . 3]" 1
441 1 28 VAL HA 1 36 ILE MD . . 4.510 3.977 3.686 4.382 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 27 PHE HB2 1 36 ILE MD . . 3.880 2.646 2.259 2.818 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 27 PHE HB3 1 36 ILE MD . . 3.880 2.145 1.942 2.764 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 36 ILE MD 1 72 VAL HB . . 3.610 3.629 3.517 3.769 0.159 20 0 "[ . 1 . 2 . 3]" 1
445 1 36 ILE HB 1 36 ILE MD . . 3.360 2.094 1.989 2.330 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 35 CYS HB3 1 71 THR HB . . 4.060 3.163 1.991 4.062 0.002 6 0 "[ . 1 . 2 . 3]" 1
447 1 35 CYS HB2 1 71 THR HB . . 4.060 3.116 2.220 4.074 0.014 2 0 "[ . 1 . 2 . 3]" 1
448 1 12 LEU HB2 1 17 LYS QD . . 4.140 2.692 2.089 3.484 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 12 LEU HB3 1 16 GLN HB2 . . 4.610 2.390 1.978 2.880 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 4 ILE H 1 4 ILE MD . . 4.540 4.360 4.316 4.425 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 4 ILE MD 1 5 TYR QE . . 4.730 4.706 4.459 4.752 0.022 14 0 "[ . 1 . 2 . 3]" 1
452 1 4 ILE HA 1 4 ILE MD . . 3.770 3.400 3.327 3.537 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 12 LEU HB3 1 17 LYS QD . . 4.040 3.389 2.728 3.984 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 38 THR H 1 61 ILE MD . . 4.570 2.979 2.684 3.264 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 39 LYS H 1 61 ILE MD . . 5.070 4.771 4.593 5.064 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 61 ILE H 1 61 ILE MD . . 3.960 3.712 3.576 3.791 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 61 ILE MD 1 71 THR HA . . 3.620 3.640 3.603 3.683 0.063 11 0 "[ . 1 . 2 . 3]" 1
458 1 38 THR HB 1 61 ILE MD . . 3.960 1.913 1.879 2.013 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 58 GLN HA 1 61 ILE MD . . 3.320 2.679 2.489 2.891 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 61 ILE HA 1 61 ILE MD . . 3.750 3.790 3.754 3.825 0.075 8 0 "[ . 1 . 2 . 3]" 1
461 1 58 GLN HB2 1 61 ILE MD . . 4.680 4.021 3.824 4.360 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 61 ILE HB 1 61 ILE MD . . 3.330 2.382 2.356 2.438 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 73 ASP HB2 1 74 PHE H . . 4.050 3.279 1.954 3.908 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 41 LEU HB3 1 42 GLY H . . 4.710 2.762 2.384 2.980 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 26 ILE H 1 26 ILE MD . . 3.730 2.261 1.902 3.719 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 23 ALA HA 1 26 ILE MD . . 3.360 2.101 1.891 3.452 0.092 5 0 "[ . 1 . 2 . 3]" 1
467 1 26 ILE HA 1 26 ILE MD . . 3.530 3.453 1.991 3.799 0.269 17 0 "[ . 1 . 2 . 3]" 1
468 1 26 ILE HB 1 26 ILE MD . . 3.050 2.236 2.038 3.214 0.164 30 0 "[ . 1 . 2 . 3]" 1
469 1 17 LYS HA 1 17 LYS QE . . 4.120 3.791 2.083 4.227 0.107 15 0 "[ . 1 . 2 . 3]" 1
470 1 17 LYS QB 1 17 LYS QE . . 3.910 3.123 1.990 3.814 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 45 MET HA 1 48 LEU HB3 . . 5.020 4.394 3.712 5.042 0.022 17 0 "[ . 1 . 2 . 3]" 1
472 1 2 ASP HB3 1 3 ASP H . . 4.820 3.589 2.221 4.576 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 29 LEU HB2 1 30 GLY H . . 4.780 3.678 2.937 4.364 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 29 LEU H 1 29 LEU HB2 . . 3.550 2.684 2.098 3.417 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 26 ILE HA 1 29 LEU HB2 . . 4.510 3.133 2.901 3.435 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 29 LEU HB3 1 30 GLY H . . 4.780 3.578 3.393 3.701 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 29 LEU H 1 29 LEU HB3 . . 3.550 2.863 2.071 3.512 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 26 ILE HA 1 29 LEU HB3 . . 4.510 3.317 1.921 4.519 0.009 1 0 "[ . 1 . 2 . 3]" 1
479 1 87 ASP H 1 87 ASP HB3 . . 3.980 3.060 2.326 4.015 0.035 12 0 "[ . 1 . 2 . 3]" 1
480 1 58 GLN HB3 1 62 ASP HB2 . . 5.940 5.616 5.231 5.945 0.005 21 0 "[ . 1 . 2 . 3]" 1
481 1 59 GLU QB 1 62 ASP HB2 . . 6.000 5.262 4.721 5.473 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 59 GLU H 1 62 ASP HB2 . . 5.980 5.238 4.935 5.470 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 59 GLU HA 1 62 ASP HB2 . . 3.730 3.286 2.909 3.536 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 62 ASP H 1 62 ASP HB2 . . 3.820 2.470 2.308 2.606 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 65 ASP H 1 65 ASP HB2 . . 4.010 2.291 2.093 2.532 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 75 ASP H 1 75 ASP HB3 . . 3.830 3.304 2.556 3.595 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 75 ASP HB2 1 76 GLU H . . 4.420 2.701 2.130 3.648 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 36 ILE HB 1 72 VAL HB . . 3.800 2.986 2.566 3.528 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 24 PHE QE 1 74 PHE HB2 . . 5.270 3.055 2.057 4.193 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 24 PHE QE 1 74 PHE HB3 . . 5.270 4.386 3.772 5.161 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 27 PHE H 1 27 PHE HB2 . . 4.020 2.227 2.188 2.315 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 27 PHE H 1 27 PHE HB3 . . 4.020 3.520 3.496 3.558 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 18 ASN H 1 18 ASN HB3 . . 3.620 3.212 2.200 3.533 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 38 THR HB 1 41 LEU HB3 . . 4.390 4.446 4.411 4.525 0.135 11 0 "[ . 1 . 2 . 3]" 1
495 1 38 THR HB 1 61 ILE MG . . 3.760 3.750 3.556 3.824 0.064 20 0 "[ . 1 . 2 . 3]" 1
496 1 5 TYR HB2 1 82 ALA MB . . 4.730 4.169 3.419 4.744 0.014 24 0 "[ . 1 . 2 . 3]" 1
497 1 5 TYR HB3 1 82 ALA MB . . 4.730 2.665 1.937 3.255 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 26 ILE H 1 26 ILE HB . . 3.560 2.509 2.434 2.729 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 23 ALA HA 1 26 ILE HB . . 4.140 3.302 2.699 3.817 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 61 ILE HB 1 62 ASP H . . 4.140 3.056 2.985 3.073 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 58 GLN HB2 1 61 ILE HB . . 4.660 4.359 4.301 4.541 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 55 GLU H 1 55 GLU HG3 . . 4.170 2.648 1.965 3.870 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 76 GLU H 1 76 GLU HG3 . . 4.150 2.357 2.019 3.054 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 15 GLU H 1 15 GLU HG3 . . 4.180 2.902 1.969 4.077 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 79 VAL HA 1 79 VAL MG1 . . 3.340 2.482 2.194 3.202 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 10 GLU HA 1 10 GLU HG2 . . 3.510 2.331 2.054 3.787 0.277 17 0 "[ . 1 . 2 . 3]" 1
507 1 38 THR HA 1 39 LYS HA . . 4.800 4.799 4.778 4.823 0.023 19 0 "[ . 1 . 2 . 3]" 1
508 1 38 THR HA 1 41 LEU HB3 . . 3.600 2.180 2.094 2.289 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 38 THR HA 1 41 LEU HB2 . . 3.940 3.194 3.093 3.439 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 38 THR HA 1 41 LEU H . . 4.140 3.444 3.357 3.559 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 38 THR HA 1 41 LEU MD2 . . 4.910 3.060 2.890 3.292 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 54 PRO HA 1 57 LEU H . . 4.350 3.618 3.342 3.979 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 19 GLU HA 1 19 GLU HG3 . . 3.800 3.303 2.749 3.761 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 19 GLU H 1 19 GLU HG3 . . 3.920 3.217 2.138 3.944 0.024 17 0 "[ . 1 . 2 . 3]" 1
515 1 66 GLU H 1 66 GLU HG3 . . 4.060 2.683 1.961 3.677 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 9 VAL HA 1 12 LEU HB2 . . 4.300 3.643 2.957 4.019 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 16 GLN H 1 16 GLN HG2 . . 4.160 2.770 2.029 4.243 0.083 20 0 "[ . 1 . 2 . 3]" 1
518 1 16 GLN HA 1 16 GLN HG2 . . 4.030 2.670 2.231 3.581 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 16 GLN H 1 16 GLN HG3 . . 4.160 3.528 2.604 4.299 0.139 27 0 "[ . 1 . 2 . 3]" 1
520 1 16 GLN HA 1 16 GLN HG3 . . 4.030 3.560 2.418 3.820 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 61 ILE HA 1 64 VAL H . . 4.760 3.297 3.174 3.391 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 61 ILE HA 1 64 VAL HB . . 4.250 2.423 2.163 4.574 0.324 11 0 "[ . 1 . 2 . 3]" 1
523 1 61 ILE HA 1 61 ILE HG13 . . 3.940 2.957 2.766 3.011 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 61 ILE HA 1 64 VAL MG1 . . 3.650 3.628 3.285 3.694 0.044 20 0 "[ . 1 . 2 . 3]" 1
525 1 26 ILE HA 1 26 ILE HG12 . . 3.930 3.271 2.449 3.467 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 26 ILE HA 1 29 LEU MD2 . . 3.770 2.925 1.923 3.818 0.048 9 0 "[ . 1 . 2 . 3]" 1
527 1 8 ALA HA 1 11 GLN HG3 . . 4.330 2.952 2.208 4.344 0.014 17 0 "[ . 1 . 2 . 3]" 1
528 1 11 GLN H 1 11 GLN HG3 . . 3.750 3.037 2.626 3.913 0.163 17 0 "[ . 1 . 2 . 3]" 1
529 1 11 GLN HA 1 11 GLN HG3 . . 3.680 3.703 3.535 3.777 0.097 27 0 "[ . 1 . 2 . 3]" 1
530 1 11 GLN HA 1 11 GLN HG2 . . 3.680 3.257 2.533 3.828 0.148 12 0 "[ . 1 . 2 . 3]" 1
531 1 58 GLN H 1 58 GLN HG3 . . 4.550 4.355 4.274 4.440 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 58 GLN HA 1 58 GLN HG3 . . 4.250 3.068 2.596 3.344 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 58 GLN H 1 58 GLN HG2 . . 4.550 4.514 4.327 4.585 0.035 1 0 "[ . 1 . 2 . 3]" 1
534 1 58 GLN HA 1 58 GLN HG2 . . 4.250 3.789 3.635 3.858 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 4 ILE HA 1 7 ALA H . . 4.090 3.846 3.704 4.002 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 4 ILE HA 1 7 ALA MB . . 3.320 2.956 2.728 3.352 0.032 14 0 "[ . 1 . 2 . 3]" 1
537 1 36 ILE H 1 72 VAL HB . . 4.670 4.074 3.476 4.681 0.011 30 0 "[ . 1 . 2 . 3]" 1
538 1 45 MET QG 1 46 ARG H . . 4.740 4.012 3.765 4.175 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 42 GLY HA2 1 45 MET QG . . 4.500 1.971 1.890 2.275 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 50 GLN H 1 50 GLN QG . . 3.810 3.256 2.234 4.040 0.230 12 0 "[ . 1 . 2 . 3]" 1
541 1 45 MET ME 1 50 GLN QG . . 4.290 4.043 2.008 4.337 0.047 29 0 "[ . 1 . 2 . 3]" 1
542 1 86 LYS H 1 86 LYS HB3 . . 3.630 3.259 2.301 3.991 0.361 14 0 "[ . 1 . 2 . 3]" 1
543 1 47 MET H 1 47 MET HG2 . . 3.740 2.514 1.968 3.082 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 47 MET HA 1 47 MET HG2 . . 3.900 2.888 2.280 4.044 0.144 29 0 "[ . 1 . 2 . 3]" 1
545 1 44 VAL HA 1 47 MET HG2 . . 4.410 3.432 1.982 4.407 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 47 MET H 1 47 MET HG3 . . 3.740 3.002 1.953 4.096 0.356 24 0 "[ . 1 . 2 . 3]" 1
547 1 47 MET HA 1 47 MET HG3 . . 3.900 3.619 3.307 3.836 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 44 VAL HA 1 47 MET HG3 . . 4.410 3.079 1.987 4.436 0.026 24 0 "[ . 1 . 2 . 3]" 1
549 1 85 MET H 1 85 MET HG3 . . 4.000 3.370 2.471 3.980 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 43 LYS H 1 43 LYS HB3 . . 3.380 3.220 2.154 3.589 0.209 30 0 "[ . 1 . 2 . 3]" 1
551 1 39 LYS HB2 1 40 GLU H . . 4.560 3.250 2.219 3.862 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 39 LYS HB3 1 40 GLU H . . 4.560 2.795 2.236 3.903 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 24 PHE HA 1 27 PHE H . . 4.780 3.407 3.217 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 24 PHE HA 1 24 PHE QE . . 4.750 4.688 4.596 4.776 0.026 30 0 "[ . 1 . 2 . 3]" 1
555 1 24 PHE HA 1 27 PHE QD . . 4.690 3.617 2.225 4.130 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 24 PHE HA 1 24 PHE QD . . 4.310 2.823 2.630 3.086 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 23 ALA HA 1 24 PHE HA . . 4.740 4.787 4.729 4.862 0.122 2 0 "[ . 1 . 2 . 3]" 1
558 1 9 VAL HB 1 10 GLU H . . 3.900 3.489 2.342 3.951 0.051 6 0 "[ . 1 . 2 . 3]" 1
559 1 9 VAL HB 1 82 ALA MB . . 4.390 3.453 1.875 4.356 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 44 VAL HB 1 45 MET H . . 4.010 3.049 2.654 3.774 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 36 ILE HA 1 40 GLU QB . . 4.460 3.911 3.686 4.138 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 43 LYS H 1 44 VAL HB . . 4.990 4.823 4.585 4.985 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 17 LYS HA 1 18 ASN HA . . 4.760 4.779 4.736 4.825 0.065 19 0 "[ . 1 . 2 . 3]" 1
564 1 17 LYS HA 1 20 PHE QD . . 3.870 2.519 1.969 3.934 0.064 20 0 "[ . 1 . 2 . 3]" 1
565 1 17 LYS HA 1 17 LYS QD . . 3.610 2.305 1.981 3.518 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 17 LYS HA 1 17 LYS QG . . 3.620 2.579 2.038 3.052 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 35 CYS HB3 1 36 ILE H . . 4.580 2.827 2.155 3.700 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 35 CYS HB2 1 36 ILE H . . 4.580 2.834 2.142 3.640 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 28 VAL HB 1 36 ILE MD . . 4.640 4.425 2.696 4.658 0.018 5 0 "[ . 1 . 2 . 3]" 1
570 1 81 MET H 1 81 MET HG2 . . 4.710 3.928 1.926 4.622 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 81 MET H 1 81 MET HG3 . . 4.710 4.077 2.786 4.509 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 74 PHE HA 1 77 TRP H . . 4.670 3.680 3.440 3.885 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 13 THR HA 1 14 GLU HA . . 4.540 4.299 4.293 4.313 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 77 TRP HA 1 79 VAL H . . 5.380 4.674 4.206 4.878 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 66 GLU H 1 66 GLU HB3 . . 3.720 2.875 2.405 3.599 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 66 GLU HB3 1 67 ASP H . . 4.520 3.971 3.663 4.156 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 13 THR HA 1 14 GLU H . . 3.320 2.350 2.227 2.467 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 13 THR HA 1 14 GLU HB2 . . 5.210 4.923 4.679 5.092 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 13 THR HA 1 13 THR MG . . 3.240 2.919 2.077 3.207 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 55 GLU HA 1 58 GLN H . . 4.090 3.703 3.497 3.881 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 55 GLU HA 1 55 GLU HG3 . . 3.530 3.244 2.529 3.721 0.191 19 0 "[ . 1 . 2 . 3]" 1
582 1 55 GLU HA 1 55 GLU HG2 . . 3.530 2.677 2.226 3.694 0.164 19 0 "[ . 1 . 2 . 3]" 1
583 1 50 GLN HB3 1 51 ASN H . . 4.790 2.818 2.422 4.107 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 15 GLU HA 1 18 ASN H . . 4.060 3.574 3.389 3.750 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 15 GLU HA 1 18 ASN HB2 . . 3.880 2.796 2.417 3.899 0.019 8 0 "[ . 1 . 2 . 3]" 1
586 1 15 GLU HA 1 18 ASN HB3 . . 3.880 3.641 2.448 4.167 0.287 16 0 "[ . 1 . 2 . 3]" 1
587 1 63 GLU H 1 63 GLU HB2 . . 3.540 2.140 2.080 2.811 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 13 THR MG 1 14 GLU HA . . 5.340 4.728 4.024 5.601 0.261 25 0 "[ . 1 . 2 . 3]" 1
589 1 14 GLU HA 1 17 LYS QG . . 5.530 4.133 3.097 5.033 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 53 THR H 1 56 GLU HB3 . . 4.270 3.768 2.934 4.421 0.151 26 0 "[ . 1 . 2 . 3]" 1
591 1 62 ASP HB3 1 63 GLU HB2 . . 4.760 3.958 3.759 4.330 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 53 THR H 1 56 GLU HB2 . . 4.270 3.586 2.921 4.329 0.059 22 0 "[ . 1 . 2 . 3]" 1
593 1 80 MET HA 1 83 ARG HB2 . . 4.950 3.854 3.136 4.995 0.045 26 0 "[ . 1 . 2 . 3]" 1
594 1 83 ARG H 1 83 ARG HB3 . . 4.000 2.818 2.207 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 80 MET HA 1 83 ARG HB3 . . 4.950 4.031 2.892 5.012 0.062 16 0 "[ . 1 . 2 . 3]" 1
596 1 5 TYR HA 1 5 TYR QE . . 4.340 4.299 4.245 4.561 0.221 24 0 "[ . 1 . 2 . 3]" 1
597 1 4 ILE HG13 1 5 TYR HA . . 4.620 4.404 4.187 4.555 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 4 ILE MG 1 5 TYR HA . . 4.600 3.525 3.340 3.711 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 43 LYS HA 1 43 LYS HG3 . . 3.840 3.033 2.251 3.736 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 43 LYS HA 1 43 LYS HG2 . . 3.840 2.742 2.154 3.783 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 42 GLY HA2 1 43 LYS HA . . 4.900 4.768 4.739 4.800 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 43 LYS HA 1 43 LYS QD . . 3.930 3.568 1.975 4.271 0.341 22 0 "[ . 1 . 2 . 3]" 1
603 1 14 GLU HA 1 18 ASN H . . 4.620 4.166 3.870 4.644 0.024 15 0 "[ . 1 . 2 . 3]" 1
604 1 32 GLU QB 1 33 ASP H . . 4.140 2.945 2.156 3.902 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 46 ARG H 1 46 ARG HB2 . . 3.910 3.051 2.324 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 40 GLU HA 1 43 LYS QD . . 4.490 3.671 1.985 4.510 0.020 28 0 "[ . 1 . 2 . 3]" 1
607 1 19 GLU HA 1 19 GLU HG2 . . 3.800 2.512 2.017 3.659 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 19 GLU HA 1 22 ALA MB . . 3.390 2.852 2.449 3.408 0.018 16 0 "[ . 1 . 2 . 3]" 1
609 1 43 LYS H 1 43 LYS QD . . 4.420 3.901 1.936 4.451 0.031 29 0 "[ . 1 . 2 . 3]" 1
610 1 59 GLU HA 1 62 ASP HB3 . . 3.790 3.538 3.324 3.776 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 10 GLU QB 1 11 GLN H . . 4.320 3.020 2.848 3.585 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 16 GLN HB3 1 17 LYS H . . 4.480 3.190 2.733 3.597 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 6 LYS H 1 6 LYS QD . . 4.330 3.323 1.884 4.324 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 6 LYS HA 1 6 LYS QD . . 3.690 3.223 1.950 3.985 0.295 21 0 "[ . 1 . 2 . 3]" 1
615 1 12 LEU MD1 1 16 GLN HB3 . . 4.330 2.636 1.978 3.629 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 59 GLU HA 1 62 ASP H . . 3.970 3.654 3.422 3.869 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 13 THR H 1 16 GLN HB2 . . 4.480 2.480 2.044 3.059 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 13 THR H 1 16 GLN HB3 . . 4.650 3.826 3.349 4.468 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 80 MET HA 1 83 ARG QD . . 4.440 3.263 2.052 4.159 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 80 MET HA 1 80 MET HG2 . . 3.740 2.906 2.155 3.487 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 80 MET HA 1 80 MET HG3 . . 3.740 2.640 2.096 3.121 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 80 MET HA 1 80 MET ME . . 4.860 4.237 4.143 4.328 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 14 GLU HB2 1 15 GLU H . . 3.360 2.684 2.461 2.864 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 19 GLU HB3 1 20 PHE H . . 4.250 3.328 2.451 3.831 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 19 GLU HB2 1 20 PHE H . . 4.250 2.744 2.444 4.057 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 21 LYS HA 1 74 PHE QE . . 3.730 2.423 1.959 3.101 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 5 TYR QD 1 83 ARG HA . . 4.600 3.081 2.520 3.968 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 83 ARG HA 1 83 ARG QD . . 4.360 3.955 3.419 4.364 0.004 14 0 "[ . 1 . 2 . 3]" 1
629 1 83 ARG HA 1 83 ARG HG3 . . 4.200 2.885 2.095 3.720 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 55 GLU H 1 55 GLU HB3 . . 3.870 3.553 2.768 3.595 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 55 GLU H 1 55 GLU HB2 . . 3.870 2.499 2.284 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 26 ILE H 1 26 ILE HG13 . . 4.040 2.787 2.242 3.522 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 23 ALA HA 1 26 ILE HG13 . . 4.640 4.329 2.609 4.656 0.016 10 0 "[ . 1 . 2 . 3]" 1
634 1 26 ILE HA 1 26 ILE HG13 . . 3.930 2.482 2.261 3.782 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 23 ALA HA 1 26 ILE HG12 . . 4.640 4.365 2.032 4.658 0.018 16 0 "[ . 1 . 2 . 3]" 1
636 1 26 ILE H 1 26 ILE HG12 . . 4.040 3.714 1.935 4.035 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 62 ASP HB3 1 63 GLU HA . . 4.350 4.200 4.027 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 10 GLU HA 1 10 GLU HG3 . . 3.510 3.360 3.077 3.636 0.126 17 0 "[ . 1 . 2 . 3]" 1
639 1 58 GLN HA 1 61 ILE H . . 3.760 3.287 3.228 3.409 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 58 GLN HA 1 61 ILE HB . . 3.530 2.194 2.128 2.487 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 58 GLN HA 1 61 ILE HG13 . . 4.420 3.350 3.145 3.995 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 38 THR MG 1 58 GLN HA . . 3.710 3.393 3.133 3.608 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 58 GLN HA 1 62 ASP H . . 4.730 4.171 3.946 4.507 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 55 GLU HA 1 58 GLN HB2 . . 4.960 4.507 3.446 4.840 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 58 GLN HB3 1 59 GLU H . . 4.650 3.037 2.814 3.090 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 10 GLU HA 1 10 GLU QB . . 2.640 2.452 2.160 2.521 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 45 MET HA 1 45 MET QG . . 3.490 2.792 2.494 3.166 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 45 MET HA 1 48 LEU HB2 . . 3.430 2.834 2.311 3.434 0.004 28 0 "[ . 1 . 2 . 3]" 1
649 1 46 ARG HA 1 46 ARG HG3 . . 4.090 3.575 2.616 3.912 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 46 ARG H 1 46 ARG HG2 . . 4.200 2.730 1.960 3.827 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 46 ARG HA 1 46 ARG HG2 . . 4.090 3.207 2.243 4.233 0.143 24 0 "[ . 1 . 2 . 3]" 1
652 1 36 ILE H 1 36 ILE HG13 . . 4.730 3.069 2.767 3.234 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 36 ILE HG13 1 72 VAL HB . . 5.890 5.493 4.960 5.906 0.016 20 0 "[ . 1 . 2 . 3]" 1
654 1 20 PHE QD 1 78 LEU HA . . 4.760 3.826 2.817 4.468 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 78 LEU HA 1 78 LEU HG . . 3.380 2.501 2.122 3.638 0.258 3 0 "[ . 1 . 2 . 3]" 1
656 1 75 ASP HA 1 78 LEU H . . 3.870 3.611 3.300 3.895 0.025 8 0 "[ . 1 . 2 . 3]" 1
657 1 74 PHE QD 1 75 ASP HA . . 4.750 4.487 4.276 4.658 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 74 PHE HA 1 75 ASP HA . . 4.770 4.773 4.744 4.802 0.032 26 0 "[ . 1 . 2 . 3]" 1
659 1 41 LEU HA 1 44 VAL HB . . 3.400 3.348 2.952 3.458 0.058 25 0 "[ . 1 . 2 . 3]" 1
660 1 41 LEU HA 1 41 LEU HG . . 3.380 3.414 3.390 3.459 0.079 29 0 "[ . 1 . 2 . 3]" 1
661 1 41 LEU HA 1 44 VAL H . . 4.100 3.585 3.381 3.806 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 81 MET HA 1 84 CYS HB2 . . 4.290 3.301 2.531 3.800 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 81 MET HA 1 84 CYS HB3 . . 4.290 4.037 2.763 4.406 0.116 26 0 "[ . 1 . 2 . 3]" 1
664 1 45 MET QG 1 52 PRO HG3 . . 4.780 3.541 2.085 4.125 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 45 MET QG 1 52 PRO HG2 . . 4.780 3.005 2.300 3.439 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 83 ARG H 1 83 ARG HG2 . . 4.660 3.872 2.665 4.664 0.004 24 0 "[ . 1 . 2 . 3]" 1
667 1 83 ARG HA 1 83 ARG HG2 . . 4.200 3.148 2.272 4.200 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 83 ARG H 1 83 ARG HG3 . . 4.660 3.709 1.943 4.638 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 4 ILE H 1 4 ILE HG13 . . 4.440 4.408 4.394 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 4 ILE HG13 1 5 TYR H . . 4.780 4.360 4.226 4.448 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 4 ILE H 1 4 ILE HG12 . . 4.550 4.516 4.463 4.560 0.010 13 0 "[ . 1 . 2 . 3]" 1
672 1 62 ASP HA 1 65 ASP H . . 3.970 3.723 3.467 3.858 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 62 ASP HA 1 65 ASP HB2 . . 4.120 3.899 3.626 4.119 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 61 ILE MG 1 62 ASP HA . . 3.910 3.460 3.156 3.627 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 29 LEU HA 1 30 GLY H . . 3.390 3.455 3.425 3.504 0.114 11 0 "[ . 1 . 2 . 3]" 1
676 1 17 LYS H 1 17 LYS QG . . 4.500 3.085 1.941 4.058 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 17 LYS QB 1 17 LYS QD . . 3.440 2.363 2.111 2.751 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 25 ASP HA 1 28 VAL H . . 4.340 3.555 3.338 3.777 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 25 ASP HA 1 28 VAL HB . . 5.250 4.989 4.247 5.337 0.087 21 0 "[ . 1 . 2 . 3]" 1
680 1 41 LEU H 1 41 LEU HG . . 4.570 4.483 4.423 4.527 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 41 LEU HG 1 45 MET QG . . 4.940 3.548 2.775 4.045 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 36 ILE MG 1 41 LEU HG . . 4.840 4.309 4.170 4.457 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 24 PHE QD 1 25 ASP HA . . 4.480 3.392 3.007 3.747 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 25 ASP HA 1 28 VAL MG1 . . 4.240 3.737 1.879 4.255 0.015 24 0 "[ . 1 . 2 . 3]" 1
685 1 81 MET HA 1 83 ARG H . . 4.730 3.989 3.665 4.745 0.015 5 0 "[ . 1 . 2 . 3]" 1
686 1 80 MET ME 1 81 MET HA . . 5.310 5.120 4.693 5.334 0.024 28 0 "[ . 1 . 2 . 3]" 1
687 1 12 LEU H 1 12 LEU MD1 . . 3.670 3.645 3.418 3.794 0.124 22 0 "[ . 1 . 2 . 3]" 1
688 1 12 LEU HA 1 12 LEU MD1 . . 3.990 3.853 3.809 3.927 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 12 LEU MD1 1 16 GLN HB2 . . 4.150 3.431 2.655 4.083 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 12 LEU HB2 1 12 LEU MD1 . . 3.440 2.281 2.195 2.379 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 85 MET HA 1 86 LYS H . . 3.530 3.501 3.405 3.567 0.037 4 0 "[ . 1 . 2 . 3]" 1
692 1 86 LYS HA 1 86 LYS QD . . 3.840 2.863 1.901 4.009 0.169 8 0 "[ . 1 . 2 . 3]" 1
693 1 86 LYS HA 1 86 LYS QG . . 3.540 2.485 2.086 3.434 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 9 VAL HA 1 12 LEU HG . . 4.170 1.965 1.898 2.160 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 26 ILE HA 1 29 LEU HG . . 4.130 2.955 1.991 4.151 0.021 30 0 "[ . 1 . 2 . 3]" 1
696 1 29 LEU HA 1 29 LEU HG . . 4.110 3.122 2.702 3.640 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 18 ASN HA 1 21 LYS H . . 4.130 3.619 3.451 3.870 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 48 LEU H 1 48 LEU HG . . 4.280 3.468 1.971 4.320 0.040 25 0 "[ . 1 . 2 . 3]" 1
699 1 18 ASN HA 1 21 LYS HB3 . . 3.760 3.055 2.287 3.484 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 18 ASN HA 1 21 LYS HB2 . . 3.760 3.521 2.102 3.795 0.035 20 0 "[ . 1 . 2 . 3]" 1
701 1 18 ASN HA 1 22 ALA MB . . 5.250 4.354 3.795 4.765 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 3 ASP HA 1 6 LYS H . . 4.030 3.230 3.018 3.414 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 3 ASP HA 1 6 LYS QE . . 4.690 3.732 2.497 4.765 0.075 4 0 "[ . 1 . 2 . 3]" 1
704 1 3 ASP HA 1 6 LYS QB . . 3.490 2.899 2.286 3.442 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 3 ASP HA 1 6 LYS QD . . 3.870 3.322 1.920 3.936 0.066 24 0 "[ . 1 . 2 . 3]" 1
706 1 78 LEU H 1 78 LEU HG . . 4.370 3.570 2.407 4.172 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 77 TRP HE3 1 78 LEU HG . . 4.740 3.232 2.336 4.574 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 48 LEU HA 1 48 LEU MD1 . . 4.010 2.745 1.949 3.924 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 41 LEU H 1 41 LEU MD2 . . 4.570 4.231 4.186 4.255 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 41 LEU HA 1 41 LEU MD2 . . 3.580 3.749 3.731 3.786 0.206 11 0 "[ . 1 . 2 . 3]" 1
711 1 45 MET HA 1 48 LEU MD1 . . 4.870 3.479 1.977 4.941 0.071 17 0 "[ . 1 . 2 . 3]" 1
712 1 6 LYS HA 1 6 LYS HG2 . . 4.140 3.805 3.062 4.235 0.095 15 0 "[ . 1 . 2 . 3]" 1
713 1 6 LYS HA 1 6 LYS HG3 . . 4.140 3.281 2.269 3.795 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 78 LEU HA 1 78 LEU MD1 . . 3.760 3.641 2.490 3.849 0.089 22 0 "[ . 1 . 2 . 3]" 1
715 1 42 GLY H 1 57 LEU MD2 . . 4.340 3.542 2.313 4.370 0.030 22 0 "[ . 1 . 2 . 3]" 1
716 1 57 LEU MD2 1 58 GLN H . . 4.650 4.402 3.740 4.655 0.005 6 0 "[ . 1 . 2 . 3]" 1
717 1 42 GLY HA3 1 57 LEU MD2 . . 4.360 3.009 2.114 4.309 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 45 MET QG 1 57 LEU MD2 . . 4.360 2.629 1.893 3.204 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 57 LEU H 1 57 LEU MD2 . . 4.370 3.238 1.872 4.228 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 12 LEU HA 1 13 THR H . . 3.240 2.531 2.402 2.584 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 12 LEU HA 1 16 GLN HB2 . . 4.690 4.413 3.779 4.705 0.015 7 0 "[ . 1 . 2 . 3]" 1
722 1 12 LEU HA 1 12 LEU HG . . 3.770 2.951 2.860 3.109 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 12 LEU HA 1 16 GLN HB3 . . 5.710 5.141 4.235 5.659 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 12 LEU HA 1 17 LYS QD . . 6.000 5.249 4.517 5.995 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 22 ALA HA 1 25 ASP H . . 4.180 3.569 3.380 3.946 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 22 ALA HA 1 25 ASP HB3 . . 3.860 3.617 3.272 3.876 0.016 23 0 "[ . 1 . 2 . 3]" 1
727 1 22 ALA HA 1 25 ASP HB2 . . 3.860 3.501 2.884 3.863 0.003 11 0 "[ . 1 . 2 . 3]" 1
728 1 22 ALA HA 1 26 ILE MD . . 4.530 4.124 3.782 4.576 0.046 17 0 "[ . 1 . 2 . 3]" 1
729 1 82 ALA HA 1 85 MET H . . 3.850 3.588 3.383 3.767 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 82 ALA HA 1 85 MET QB . . 3.690 3.518 2.754 3.722 0.032 8 0 "[ . 1 . 2 . 3]" 1
731 1 39 LYS H 1 39 LYS HG2 . . 4.590 3.867 1.937 4.594 0.004 5 0 "[ . 1 . 2 . 3]" 1
732 1 8 ALA HA 1 11 GLN H . . 4.010 3.552 3.413 3.736 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 29 LEU HA 1 29 LEU MD1 . . 4.160 3.487 3.064 3.821 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 26 ILE HA 1 29 LEU MD1 . . 3.770 2.967 2.019 4.159 0.389 30 0 "[ . 1 . 2 . 3]" 1
735 1 8 ALA HA 1 11 GLN HG2 . . 4.330 2.920 1.947 4.211 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 29 LEU H 1 29 LEU MD1 . . 4.340 4.021 3.702 4.314 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 7 ALA HA 1 10 GLU QB . . 3.310 2.778 2.209 3.438 0.128 28 0 "[ . 1 . 2 . 3]" 1
738 1 86 LYS H 1 86 LYS QG . . 4.020 3.531 2.101 4.102 0.082 21 0 "[ . 1 . 2 . 3]" 1
739 1 42 GLY HA3 1 57 LEU MD1 . . 4.360 2.706 1.909 4.250 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 42 GLY HA2 1 57 LEU MD1 . . 3.610 2.382 1.946 3.649 0.039 20 0 "[ . 1 . 2 . 3]" 1
741 1 45 MET QG 1 57 LEU MD1 . . 4.360 3.024 2.189 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 78 LEU H 1 78 LEU MD2 . . 4.580 4.136 2.506 4.442 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 78 LEU HA 1 78 LEU MD2 . . 3.760 2.597 1.960 3.483 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 29 LEU HA 1 29 LEU MD2 . . 4.160 2.965 1.982 4.126 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 29 LEU H 1 29 LEU MD2 . . 4.340 3.746 3.477 3.963 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 50 GLN HA 1 51 ASN H . . 3.570 2.306 2.219 2.409 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 50 GLN HA 1 50 GLN QG . . 3.690 2.401 2.057 3.334 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 45 MET ME 1 50 GLN HA . . 5.240 5.188 4.922 5.311 0.071 11 0 "[ . 1 . 2 . 3]" 1
749 1 41 LEU H 1 41 LEU MD1 . . 4.570 4.016 3.972 4.064 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 41 LEU HA 1 41 LEU MD1 . . 3.580 1.963 1.945 2.077 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 38 THR HA 1 41 LEU MD1 . . 4.910 4.790 4.701 4.892 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 41 LEU HB2 1 41 LEU MD1 . . 3.440 2.468 2.441 2.486 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 79 VAL MG2 1 80 MET H . . 4.100 2.765 2.069 4.238 0.138 12 0 "[ . 1 . 2 . 3]" 1
754 1 79 VAL H 1 79 VAL MG2 . . 3.840 2.394 1.912 3.764 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 79 VAL HA 1 79 VAL MG2 . . 3.340 2.902 2.016 3.203 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 38 THR H 1 38 THR MG . . 3.490 2.086 2.053 2.148 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 38 THR MG 1 58 GLN H . . 3.840 3.840 3.667 4.053 0.213 20 0 "[ . 1 . 2 . 3]" 1
758 1 37 SER HA 1 38 THR MG . . 4.160 3.827 3.672 3.985 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 38 THR MG 1 39 LYS HA . . 3.920 3.674 3.386 3.755 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 38 THR HA 1 38 THR MG . . 3.040 3.177 3.171 3.197 0.157 20 0 "[ . 1 . 2 . 3]" 1
761 1 12 LEU HA 1 12 LEU MD2 . . 3.990 2.032 1.927 2.207 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 12 LEU MD2 1 16 GLN HB2 . . 4.150 3.398 2.971 4.105 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 12 LEU HB2 1 12 LEU MD2 . . 3.440 3.190 3.178 3.195 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 12 LEU MD2 1 16 GLN HB3 . . 4.330 3.136 2.616 3.971 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 12 LEU H 1 12 LEU MD2 . . 3.670 3.629 3.334 3.768 0.098 25 0 "[ . 1 . 2 . 3]" 1
766 1 38 THR H 1 71 THR MG . . 4.520 3.493 2.981 4.007 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 71 THR H 1 71 THR MG . . 4.120 3.314 2.820 3.728 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 71 THR HA 1 71 THR MG . . 3.020 2.203 1.968 2.487 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 37 SER HB3 1 71 THR MG . . 3.780 2.771 1.901 3.784 0.004 26 0 "[ . 1 . 2 . 3]" 1
770 1 37 SER HB2 1 71 THR MG . . 3.780 2.865 1.951 3.776 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 35 CYS HB3 1 71 THR MG . . 4.230 3.771 2.700 4.262 0.032 18 0 "[ . 1 . 2 . 3]" 1
772 1 35 CYS HB2 1 71 THR MG . . 4.230 3.331 2.768 4.182 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 64 VAL H 1 64 VAL MG1 . . 3.620 3.665 2.226 3.775 0.155 6 0 "[ . 1 . 2 . 3]" 1
774 1 64 VAL HA 1 64 VAL MG1 . . 3.220 2.390 2.353 2.431 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 72 VAL MG1 1 77 TRP HA . . 3.590 2.518 2.096 3.647 0.057 26 0 "[ . 1 . 2 . 3]" 1
776 1 64 VAL MG1 1 80 MET HA . . 4.380 3.839 2.537 4.398 0.018 29 0 "[ . 1 . 2 . 3]" 1
777 1 72 VAL HA 1 72 VAL MG1 . . 3.380 2.658 2.504 3.146 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 9 VAL H 1 9 VAL MG1 . . 3.670 2.736 1.880 3.770 0.100 13 0 "[ . 1 . 2 . 3]" 1
779 1 6 LYS HA 1 9 VAL MG1 . . 4.060 3.063 1.855 4.104 0.044 16 0 "[ . 1 . 2 . 3]" 1
780 1 9 VAL HA 1 9 VAL MG1 . . 3.260 2.596 2.124 3.203 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 9 VAL MG1 1 79 VAL HA . . 3.910 3.294 1.947 4.003 0.093 16 0 "[ . 1 . 2 . 3]" 1
782 1 48 LEU H 1 48 LEU MD2 . . 4.000 3.061 1.938 3.927 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 48 LEU HA 1 48 LEU MD2 . . 4.010 2.970 1.972 3.820 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 45 MET HA 1 48 LEU MD2 . . 4.870 3.167 2.080 4.826 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 44 VAL H 1 44 VAL MG2 . . 3.880 2.379 1.931 3.652 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 27 PHE QE 1 44 VAL MG2 . . 4.210 3.613 2.253 4.214 0.004 28 0 "[ . 1 . 2 . 3]" 1
787 1 44 VAL HA 1 44 VAL MG2 . . 3.380 2.309 2.005 2.422 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 53 THR H 1 53 THR MG . . 2.870 2.732 2.064 2.920 0.050 26 0 "[ . 1 . 2 . 3]" 1
789 1 13 THR MG 1 16 GLN H . . 4.270 2.416 1.828 4.336 0.066 10 0 "[ . 1 . 2 . 3]" 1
790 1 72 VAL HA 1 72 VAL MG2 . . 3.380 2.065 1.968 2.142 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 13 THR MG 1 14 GLU H . . 3.790 3.394 1.991 3.832 0.042 6 0 "[ . 1 . 2 . 3]" 1
792 1 72 VAL MG2 1 77 TRP H . . 4.570 4.310 2.738 4.613 0.043 12 0 "[ . 1 . 2 . 3]" 1
793 1 72 VAL MG2 1 77 TRP HA . . 3.590 3.604 2.636 3.769 0.179 15 0 "[ . 1 . 2 . 3]" 1
794 1 64 VAL MG2 1 65 ASP H . . 3.820 3.699 2.124 3.877 0.057 20 0 "[ . 1 . 2 . 3]" 1
795 1 64 VAL H 1 64 VAL MG2 . . 3.620 2.380 1.972 2.478 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 64 VAL HA 1 64 VAL MG2 . . 3.220 2.434 2.323 3.201 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 64 VAL MG2 1 80 MET HA . . 4.380 3.762 3.378 4.425 0.045 11 0 "[ . 1 . 2 . 3]" 1
798 1 61 ILE HA 1 64 VAL MG2 . . 3.650 2.648 1.818 2.799 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 9 VAL MG2 1 10 GLU H . . 4.060 3.155 2.064 4.089 0.029 1 0 "[ . 1 . 2 . 3]" 1
800 1 9 VAL H 1 9 VAL MG2 . . 3.670 2.653 1.881 3.774 0.104 28 0 "[ . 1 . 2 . 3]" 1
801 1 6 LYS HA 1 9 VAL MG2 . . 4.060 2.903 1.897 4.308 0.248 28 0 "[ . 1 . 2 . 3]" 1
802 1 9 VAL HA 1 9 VAL MG2 . . 3.260 2.670 2.183 3.198 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 9 VAL MG2 1 79 VAL HA . . 3.910 3.348 2.272 3.952 0.042 29 0 "[ . 1 . 2 . 3]" 1
804 1 28 VAL H 1 28 VAL MG1 . . 3.890 2.386 2.054 2.485 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 28 VAL MG1 1 35 CYS H . . 4.300 3.210 2.786 4.502 0.202 30 0 "[ . 1 . 2 . 3]" 1
806 1 24 PHE QE 1 28 VAL MG1 . . 4.250 2.689 2.369 2.979 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 28 VAL HA 1 28 VAL MG1 . . 3.530 2.418 2.305 3.195 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 27 PHE HB3 1 28 VAL MG1 . . 6.280 3.348 2.956 4.788 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 44 VAL MG1 1 45 MET H . . 4.190 3.398 2.161 3.859 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 44 VAL H 1 44 VAL MG1 . . 3.880 3.565 2.674 3.767 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 27 PHE QD 1 44 VAL MG1 . . 4.510 3.811 3.341 4.199 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 44 VAL HA 1 44 VAL MG1 . . 3.380 2.475 2.208 3.147 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 28 VAL H 1 28 VAL MG2 . . 3.890 2.185 1.925 3.784 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 28 VAL MG2 1 35 CYS H . . 4.300 4.155 2.043 4.349 0.049 21 0 "[ . 1 . 2 . 3]" 1
815 1 24 PHE QE 1 28 VAL MG2 . . 4.250 3.020 2.504 4.028 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 28 VAL MG2 1 35 CYS HA . . 4.710 4.531 3.241 4.738 0.028 29 0 "[ . 1 . 2 . 3]" 1
817 1 25 ASP HA 1 28 VAL MG2 . . 4.240 2.280 1.892 4.449 0.209 30 0 "[ . 1 . 2 . 3]" 1
818 1 28 VAL HA 1 28 VAL MG2 . . 3.530 3.137 2.310 3.201 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 27 PHE HB3 1 28 VAL MG2 . . 6.280 4.867 4.596 5.582 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 72 VAL HA 1 73 ASP H . . 3.280 2.155 2.140 2.188 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 72 VAL HA 1 76 GLU HB2 . . 4.410 3.049 2.615 3.460 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 72 VAL HA 1 76 GLU HB3 . . 4.410 3.811 2.890 4.431 0.021 26 0 "[ . 1 . 2 . 3]" 1
823 1 37 SER HA 1 71 THR MG . . 3.960 2.020 1.887 2.375 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 24 PHE QE 1 35 CYS HA . . 4.420 3.873 3.308 4.404 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 35 CYS HA 1 36 ILE HB . . 4.770 4.652 4.578 4.779 0.009 20 0 "[ . 1 . 2 . 3]" 1
826 1 35 CYS HA 1 36 ILE HG13 . . 4.550 3.521 3.361 3.731 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 35 CYS HA 1 36 ILE MD . . 4.690 3.719 3.091 4.677 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 28 VAL MG1 1 35 CYS HA . . 4.710 2.456 1.965 4.747 0.037 9 0 "[ . 1 . 2 . 3]" 1
829 1 24 PHE QE 1 73 ASP HA . . 4.430 3.310 2.784 4.143 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 35 CYS HA 1 73 ASP HA . . 3.980 3.462 2.671 4.004 0.024 5 0 "[ . 1 . 2 . 3]" 1
831 1 51 ASN HA 1 52 PRO HD2 . . 3.360 2.139 2.048 2.187 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 51 ASN HA 1 52 PRO HD3 . . 3.360 2.997 2.867 3.058 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 77 TRP HB3 1 78 LEU H . . 5.080 2.705 2.293 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 77 TRP HB2 1 78 LEU H . . 5.080 3.858 3.633 4.060 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 24 PHE QE 1 77 TRP HB3 . . 5.140 3.434 2.918 3.875 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 24 PHE QE 1 77 TRP HB2 . . 5.140 2.740 2.260 3.197 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 27 PHE H 1 36 ILE MD . . 4.560 4.468 4.056 4.629 0.069 26 0 "[ . 1 . 2 . 3]" 1
838 1 23 ALA HA 1 26 ILE H . . 4.360 3.454 3.312 3.584 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 77 TRP HA 1 80 MET H . . 4.850 3.564 3.409 3.705 . 0 0 "[ . 1 . 2 . 3]" 1
840 1 72 VAL HA 1 76 GLU H . . 5.400 5.152 4.900 5.444 0.044 20 0 "[ . 1 . 2 . 3]" 1
841 1 2 ASP HB2 1 3 ASP H . . 4.820 4.235 3.643 4.598 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 28 VAL MG2 1 31 ALA MB . . 4.430 3.752 1.842 4.238 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 53 THR HA 1 53 THR MG . . 3.570 2.407 1.991 3.195 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 62 ASP HA 1 65 ASP HB3 . . 4.120 3.472 2.651 4.128 0.008 18 0 "[ . 1 . 2 . 3]" 1
845 1 36 ILE MG 1 72 VAL H . . 4.980 4.200 3.641 4.485 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 71 THR MG 1 72 VAL H . . 3.840 3.475 2.872 3.850 0.010 18 0 "[ . 1 . 2 . 3]" 1
847 1 72 VAL H 1 72 VAL MG1 . . 4.160 3.478 2.484 3.688 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 72 VAL H 1 72 VAL MG2 . . 4.160 3.172 2.944 3.804 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 71 THR HB 1 72 VAL H . . 4.030 2.456 2.093 2.882 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 71 THR HA 1 72 VAL H . . 3.530 2.404 2.266 2.541 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 37 SER HA 1 72 VAL H . . 4.590 3.879 3.224 4.595 0.005 26 0 "[ . 1 . 2 . 3]" 1
852 1 72 VAL MG1 1 73 ASP H . . 3.840 2.703 2.405 3.368 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 72 VAL MG2 1 73 ASP H . . 3.840 3.556 2.577 3.815 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 24 PHE QE 1 74 PHE HA . . 4.310 2.946 2.669 3.244 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 13 THR HB 1 14 GLU H . . 3.960 3.559 2.277 4.001 0.041 5 0 "[ . 1 . 2 . 3]" 1
856 1 29 LEU HA 1 31 ALA H . . 4.300 4.242 3.689 4.395 0.095 9 0 "[ . 1 . 2 . 3]" 1
857 1 31 ALA MB 1 34 GLY HA3 . . 4.550 4.291 4.130 4.619 0.069 30 0 "[ . 1 . 2 . 3]" 1
858 1 39 LYS H 1 39 LYS HG3 . . 4.590 3.938 2.568 4.512 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 26 ILE HG12 1 26 ILE MG . . 3.410 2.212 1.950 3.197 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 41 LEU HB2 1 41 LEU MD2 . . 3.440 2.173 2.100 2.191 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 9 VAL HA 1 82 ALA MB . . 4.250 3.531 2.982 4.180 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 2 ASP QB 1 4 ILE H . . 3.580 3.016 2.228 3.590 0.010 19 0 "[ . 1 . 2 . 3]" 1
863 1 2 ASP QB 1 4 ILE MG . . 3.840 2.160 1.871 2.696 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 2 ASP QB 1 5 TYR H . . 4.290 2.731 2.329 3.206 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 2 ASP QB 1 5 TYR QD . . 3.530 2.244 1.908 3.067 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 2 ASP QB 1 5 TYR QE . . 3.670 3.301 2.808 3.741 0.071 30 0 "[ . 1 . 2 . 3]" 1
867 1 3 ASP H 1 3 ASP QB . . 3.390 2.378 2.177 2.618 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 3 ASP QB 1 6 LYS QB . . 5.170 4.377 3.319 5.091 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 5 TYR H 1 5 TYR QB . . 3.190 2.355 2.192 2.404 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 5 TYR H 1 6 LYS QG . . 5.440 4.230 3.499 5.493 0.053 11 0 "[ . 1 . 2 . 3]" 1
871 1 5 TYR QB 1 6 LYS H . . 3.490 2.604 2.485 2.817 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 5 TYR QB 1 82 ALA MB . . 4.160 2.633 1.927 3.201 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 5 TYR QD 1 83 ARG QB . . 4.510 4.100 2.887 4.553 0.043 23 0 "[ . 1 . 2 . 3]" 1
874 1 5 TYR QE 1 86 LYS QB . . 3.950 3.086 1.924 4.110 0.160 14 0 "[ . 1 . 2 . 3]" 1
875 1 6 LYS H 1 6 LYS QG . . 3.280 2.577 1.957 3.463 0.183 11 0 "[ . 1 . 2 . 3]" 1
876 1 7 ALA HA 1 10 GLU QG . . 5.370 3.591 1.984 4.674 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 8 ALA HA 1 11 GLN QB . . 5.610 3.484 2.472 4.067 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 8 ALA HA 1 11 GLN QG . . 3.680 2.226 1.934 2.876 . 0 0 "[ . 1 . 2 . 3]" 1
879 1 10 GLU H 1 10 GLU QG . . 3.180 2.883 2.480 3.153 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 10 GLU HA 1 10 GLU QG . . 2.890 2.256 2.034 3.302 0.412 17 0 "[ . 1 . 2 . 3]" 1
881 1 11 GLN H 1 11 GLN QB . . 2.960 2.582 2.339 2.736 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 11 GLN H 1 11 GLN QG . . 3.240 2.267 1.919 2.693 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 11 GLN QB 1 12 LEU H . . 4.140 3.686 3.199 3.950 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 11 GLN QG 1 12 LEU H . . 4.150 3.671 3.007 4.238 0.088 9 0 "[ . 1 . 2 . 3]" 1
885 1 12 LEU HA 1 16 GLN QG . . 4.910 4.089 3.091 5.027 0.117 28 0 "[ . 1 . 2 . 3]" 1
886 1 12 LEU HB2 1 16 GLN QG . . 5.360 4.726 3.665 5.386 0.026 10 0 "[ . 1 . 2 . 3]" 1
887 1 13 THR H 1 16 GLN QG . . 3.350 2.675 2.018 3.396 0.046 28 0 "[ . 1 . 2 . 3]" 1
888 1 13 THR HA 1 14 GLU QG . . 4.330 3.816 3.682 4.033 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 13 THR MG 1 16 GLN QG . . 3.440 2.424 1.886 3.524 0.084 15 0 "[ . 1 . 2 . 3]" 1
890 1 14 GLU H 1 14 GLU QG . . 3.640 2.103 1.948 2.355 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 14 GLU HA 1 14 GLU QG . . 3.250 2.534 2.286 3.142 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 14 GLU QG 1 15 GLU H . . 4.160 4.035 3.905 4.159 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 15 GLU H 1 15 GLU QB . . 2.920 2.397 2.182 2.635 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 15 GLU H 1 15 GLU QG . . 3.320 2.387 1.941 3.236 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 15 GLU HA 1 15 GLU QG . . 3.380 2.655 2.233 3.416 0.036 6 0 "[ . 1 . 2 . 3]" 1
896 1 15 GLU HA 1 18 ASN QB . . 3.290 2.489 2.395 2.609 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 15 GLU QB 1 15 GLU QG . . 2.290 2.058 2.002 2.086 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 15 GLU QG 1 18 ASN QB . . 4.890 4.521 4.087 4.934 0.044 15 0 "[ . 1 . 2 . 3]" 1
899 1 16 GLN HA 1 16 GLN QG . . 3.530 2.535 2.209 2.906 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 17 LYS HA 1 20 PHE QB . . 4.250 2.996 2.164 4.303 0.053 23 0 "[ . 1 . 2 . 3]" 1
901 1 17 LYS QB 1 18 ASN QB . . 4.980 4.195 3.895 4.434 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 18 ASN H 1 18 ASN QB . . 3.170 2.141 2.053 2.223 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 18 ASN HA 1 21 LYS QB . . 3.190 2.842 2.084 3.217 0.027 17 0 "[ . 1 . 2 . 3]" 1
904 1 18 ASN HA 1 21 LYS QG . . 5.090 4.801 3.720 5.191 0.101 20 0 "[ . 1 . 2 . 3]" 1
905 1 18 ASN HA 1 21 LYS QD . . 4.890 3.982 2.732 4.890 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 18 ASN QB 1 19 GLU QB . . 4.730 4.368 3.723 4.613 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 18 ASN QB 1 21 LYS QB . . 4.960 4.527 3.972 4.874 . 0 0 "[ . 1 . 2 . 3]" 1
908 1 18 ASN QB 1 22 ALA MB . . 4.130 4.199 4.130 4.365 0.235 30 0 "[ . 1 . 2 . 3]" 1
909 1 19 GLU H 1 19 GLU QB . . 3.270 2.242 2.048 2.527 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 19 GLU H 1 19 GLU QG . . 3.430 2.697 2.123 3.438 0.008 15 0 "[ . 1 . 2 . 3]" 1
911 1 19 GLU HA 1 19 GLU QG . . 3.320 2.422 1.999 3.303 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 19 GLU QG 1 20 PHE H . . 4.930 4.159 2.040 4.359 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 20 PHE QB 1 77 TRP HZ3 . . 4.270 2.110 1.962 3.322 . 0 0 "[ . 1 . 2 . 3]" 1
914 1 21 LYS H 1 21 LYS QG . . 4.560 3.911 2.790 4.022 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 21 LYS H 1 21 LYS QD . . 5.120 4.389 3.909 4.643 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 21 LYS HA 1 21 LYS QD . . 4.130 3.895 3.389 4.145 0.015 21 0 "[ . 1 . 2 . 3]" 1
917 1 21 LYS HA 1 24 PHE QB . . 3.960 2.757 2.427 3.072 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 21 LYS QB 1 22 ALA H . . 3.350 2.695 2.481 2.879 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 21 LYS QG 1 74 PHE QE . . 4.410 2.883 2.471 3.293 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 22 ALA HA 1 25 ASP QB . . 3.320 3.153 2.748 3.384 0.064 30 0 "[ . 1 . 2 . 3]" 1
921 1 22 ALA MB 1 25 ASP QB . . 4.590 4.157 3.822 4.480 . 0 0 "[ . 1 . 2 . 3]" 1
922 1 24 PHE HA 1 27 PHE QB . . 4.430 2.628 2.451 3.196 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 24 PHE QB 1 25 ASP H . . 3.990 2.791 2.569 2.889 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 24 PHE QB 1 74 PHE QD . . 4.020 3.119 2.806 3.628 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 24 PHE QB 1 74 PHE QE . . 4.180 3.201 2.331 3.784 . 0 0 "[ . 1 . 2 . 3]" 1
926 1 24 PHE QB 1 74 PHE HZ . . 5.270 4.516 2.547 5.302 0.032 9 0 "[ . 1 . 2 . 3]" 1
927 1 24 PHE QE 1 74 PHE QB . . 4.530 2.994 2.048 4.020 . 0 0 "[ . 1 . 2 . 3]" 1
928 1 24 PHE QE 1 77 TRP QB . . 4.490 2.629 2.196 3.014 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 24 PHE HZ 1 77 TRP QB . . 5.510 4.514 3.818 4.983 . 0 0 "[ . 1 . 2 . 3]" 1
930 1 26 ILE HA 1 29 LEU QB . . 3.930 2.587 1.909 3.333 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 27 PHE H 1 27 PHE QB . . 3.510 2.204 2.167 2.287 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 27 PHE HB2 1 28 VAL MG1 . . 6.280 3.365 3.157 4.056 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 27 PHE HB2 1 28 VAL MG2 . . 6.280 4.306 4.061 5.631 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 27 PHE QB 1 36 ILE MG . . 4.550 3.337 2.454 3.981 . 0 0 "[ . 1 . 2 . 3]" 1
935 1 28 VAL HB 1 34 GLY QA . . 4.410 2.254 1.974 4.202 . 0 0 "[ . 1 . 2 . 3]" 1
936 1 31 ALA MB 1 34 GLY QA . . 3.990 3.001 2.718 3.433 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 31 ALA MB 1 40 GLU QG . . 4.680 4.594 3.742 4.705 0.025 11 0 "[ . 1 . 2 . 3]" 1
938 1 33 ASP QB 1 35 CYS H . . 4.180 3.959 3.431 4.191 0.011 14 0 "[ . 1 . 2 . 3]" 1
939 1 35 CYS QB 1 36 ILE H . . 3.960 2.157 2.124 2.217 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 35 CYS QB 1 71 THR MG . . 3.700 3.023 2.595 3.704 0.004 3 0 "[ . 1 . 2 . 3]" 1
941 1 36 ILE H 1 37 SER QB . . 5.670 5.303 5.098 5.709 0.039 18 0 "[ . 1 . 2 . 3]" 1
942 1 36 ILE MD 1 77 TRP QB . . 4.500 3.440 2.931 3.979 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 37 SER H 1 37 SER QB . . 3.580 2.581 2.180 2.951 . 0 0 "[ . 1 . 2 . 3]" 1
944 1 37 SER QB 1 38 THR MG . . 4.330 3.463 3.047 4.161 . 0 0 "[ . 1 . 2 . 3]" 1
945 1 37 SER QB 1 39 LYS H . . 4.520 2.790 2.335 3.454 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 37 SER QB 1 71 THR MG . . 3.250 2.295 1.883 2.804 . 0 0 "[ . 1 . 2 . 3]" 1
947 1 39 LYS H 1 39 LYS QB . . 3.590 2.274 2.128 2.595 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 39 LYS HA 1 39 LYS QG . . 3.560 2.550 2.164 3.341 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 39 LYS QB 1 40 GLU H . . 3.990 2.452 2.190 3.282 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 39 LYS QG 1 40 GLU H . . 4.490 3.706 1.885 4.381 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 40 GLU HA 1 43 LYS QB . . 4.160 2.950 2.384 3.586 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 42 GLY H 1 43 LYS QB . . 4.780 4.411 4.165 4.797 0.017 30 0 "[ . 1 . 2 . 3]" 1
953 1 42 GLY HA2 1 45 MET QB . . 3.880 3.325 3.049 3.555 . 0 0 "[ . 1 . 2 . 3]" 1
954 1 42 GLY HA2 1 52 PRO QG . . 4.510 4.044 3.248 4.508 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 42 GLY HA3 1 43 LYS QB . . 5.030 4.768 4.559 5.078 0.048 30 0 "[ . 1 . 2 . 3]" 1
956 1 43 LYS H 1 43 LYS QB . . 2.810 2.145 2.055 2.389 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 43 LYS H 1 43 LYS QG . . 3.390 3.064 2.339 3.433 0.043 9 0 "[ . 1 . 2 . 3]" 1
958 1 43 LYS HA 1 46 ARG QD . . 5.020 3.709 2.213 5.116 0.096 17 0 "[ . 1 . 2 . 3]" 1
959 1 43 LYS QB 1 44 VAL H . . 3.770 2.667 2.295 3.399 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 43 LYS QE 1 43 LYS QG . . 3.290 2.190 1.951 2.818 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 44 VAL H 1 47 MET QG . . 5.630 5.069 4.376 5.637 0.007 20 0 "[ . 1 . 2 . 3]" 1
962 1 44 VAL HA 1 47 MET QB . . 3.800 3.542 2.631 3.875 0.075 29 0 "[ . 1 . 2 . 3]" 1
963 1 44 VAL HB 1 47 MET QG . . 5.230 5.004 4.297 5.234 0.004 15 0 "[ . 1 . 2 . 3]" 1
964 1 45 MET H 1 45 MET QB . . 3.260 2.543 2.450 2.641 . 0 0 "[ . 1 . 2 . 3]" 1
965 1 45 MET QB 1 45 MET ME . . 4.150 2.030 1.921 2.322 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 45 MET QB 1 52 PRO QD . . 3.420 2.219 1.951 2.472 . 0 0 "[ . 1 . 2 . 3]" 1
967 1 45 MET QG 1 52 PRO QG . . 4.170 2.841 1.937 3.277 . 0 0 "[ . 1 . 2 . 3]" 1
968 1 45 MET ME 1 52 PRO QD . . 3.340 3.174 2.645 3.355 0.015 18 0 "[ . 1 . 2 . 3]" 1
969 1 46 ARG H 1 46 ARG QB . . 3.180 2.402 2.163 2.613 . 0 0 "[ . 1 . 2 . 3]" 1
970 1 46 ARG H 1 46 ARG QG . . 3.490 2.344 1.949 2.858 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 46 ARG H 1 46 ARG QD . . 4.410 3.687 3.165 4.380 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 46 ARG HA 1 46 ARG QD . . 4.070 3.810 2.237 4.266 0.196 8 0 "[ . 1 . 2 . 3]" 1
973 1 46 ARG QB 1 47 MET H . . 3.480 3.011 2.478 3.600 0.120 17 0 "[ . 1 . 2 . 3]" 1
974 1 46 ARG QG 1 47 MET QG . . 4.980 3.735 2.159 4.982 0.002 18 0 "[ . 1 . 2 . 3]" 1
975 1 47 MET HA 1 47 MET QG . . 3.170 2.739 2.248 3.338 0.168 29 0 "[ . 1 . 2 . 3]" 1
976 1 47 MET QB 1 48 LEU H . . 3.840 2.828 2.538 3.656 . 0 0 "[ . 1 . 2 . 3]" 1
977 1 49 GLY H 1 50 GLN QB . . 4.460 4.345 4.053 4.560 0.100 11 0 "[ . 1 . 2 . 3]" 1
978 1 49 GLY QA 1 50 GLN QB . . 4.530 4.449 4.112 4.549 0.019 7 0 "[ . 1 . 2 . 3]" 1
979 1 50 GLN H 1 50 GLN QB . . 3.360 2.586 2.302 2.990 . 0 0 "[ . 1 . 2 . 3]" 1
980 1 50 GLN HA 1 51 ASN QB . . 4.620 4.298 3.933 4.549 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 50 GLN HA 1 52 PRO QD . . 4.660 3.916 3.783 4.141 . 0 0 "[ . 1 . 2 . 3]" 1
982 1 50 GLN QB 1 51 ASN H . . 4.130 2.682 2.385 3.465 . 0 0 "[ . 1 . 2 . 3]" 1
983 1 50 GLN QB 1 52 PRO QD . . 3.190 2.210 1.971 2.926 . 0 0 "[ . 1 . 2 . 3]" 1
984 1 50 GLN QG 1 52 PRO QD . . 4.410 3.888 1.937 4.316 . 0 0 "[ . 1 . 2 . 3]" 1
985 1 51 ASN HA 1 52 PRO QD . . 2.890 2.095 2.006 2.142 . 0 0 "[ . 1 . 2 . 3]" 1
986 1 51 ASN QB 1 52 PRO QD . . 3.760 3.755 3.689 3.811 0.051 4 0 "[ . 1 . 2 . 3]" 1
987 1 52 PRO QB 1 53 THR H . . 4.070 2.490 1.945 3.068 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 53 THR H 1 56 GLU QG . . 4.730 4.135 3.199 4.768 0.038 18 0 "[ . 1 . 2 . 3]" 1
989 1 53 THR MG 1 54 PRO QD . . 3.260 2.421 1.988 3.541 0.281 19 0 "[ . 1 . 2 . 3]" 1
990 1 54 PRO HA 1 57 LEU QB . . 4.590 3.375 2.944 3.949 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 54 PRO QG 1 55 GLU H . . 3.300 1.999 1.902 2.301 . 0 0 "[ . 1 . 2 . 3]" 1
992 1 55 GLU H 1 55 GLU QG . . 3.400 2.324 1.904 2.739 . 0 0 "[ . 1 . 2 . 3]" 1
993 1 55 GLU HA 1 55 GLU QG . . 2.970 2.502 2.201 3.303 0.333 19 0 "[ . 1 . 2 . 3]" 1
994 1 55 GLU QB 1 56 GLU H . . 3.760 2.826 2.661 3.470 . 0 0 "[ . 1 . 2 . 3]" 1
995 1 55 GLU QG 1 56 GLU H . . 4.320 4.127 2.272 4.324 0.004 16 0 "[ . 1 . 2 . 3]" 1
996 1 56 GLU H 1 56 GLU QB . . 3.000 2.181 2.060 2.255 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 56 GLU H 1 56 GLU QG . . 4.020 3.647 2.962 4.043 0.023 18 0 "[ . 1 . 2 . 3]" 1
998 1 56 GLU HA 1 56 GLU QG . . 3.520 2.457 2.170 2.903 . 0 0 "[ . 1 . 2 . 3]" 1
999 1 56 GLU QB 1 57 LEU H . . 3.330 2.650 2.217 2.890 . 0 0 "[ . 1 . 2 . 3]" 1
1000 1 57 LEU H 1 57 LEU QB . . 3.320 2.341 2.068 2.623 . 0 0 "[ . 1 . 2 . 3]" 1
1001 1 58 GLN H 1 58 GLN QG . . 3.940 3.942 3.901 3.969 0.029 1 0 "[ . 1 . 2 . 3]" 1
1002 1 58 GLN HA 1 58 GLN QG . . 3.710 2.934 2.544 3.151 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 58 GLN QG 1 62 ASP H . . 4.300 4.150 3.833 4.327 0.027 10 0 "[ . 1 . 2 . 3]" 1
1004 1 58 GLN QG 1 62 ASP HB2 . . 4.250 3.337 3.014 3.583 . 0 0 "[ . 1 . 2 . 3]" 1
1005 1 61 ILE MG 1 65 ASP QB . . 3.170 2.459 2.378 2.620 . 0 0 "[ . 1 . 2 . 3]" 1
1006 1 62 ASP HA 1 65 ASP QB . . 3.510 3.236 2.589 3.525 0.015 18 0 "[ . 1 . 2 . 3]" 1
1007 1 63 GLU H 1 63 GLU QG . . 3.670 3.587 3.396 3.916 0.246 4 0 "[ . 1 . 2 . 3]" 1
1008 1 63 GLU HA 1 63 GLU QG . . 3.100 2.268 2.002 3.132 0.032 4 0 "[ . 1 . 2 . 3]" 1
1009 1 65 ASP H 1 65 ASP QB . . 3.300 2.188 2.065 2.269 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 65 ASP HA 1 66 GLU QB . . 5.030 4.482 4.378 4.737 . 0 0 "[ . 1 . 2 . 3]" 1
1011 1 66 GLU H 1 66 GLU QB . . 3.150 2.505 2.370 2.647 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 66 GLU H 1 66 GLU QG . . 3.450 2.101 1.946 2.370 . 0 0 "[ . 1 . 2 . 3]" 1
1013 1 66 GLU H 1 76 GLU QG . . 4.740 2.789 2.058 3.484 . 0 0 "[ . 1 . 2 . 3]" 1
1014 1 66 GLU HA 1 66 GLU QG . . 3.560 3.178 2.404 3.447 . 0 0 "[ . 1 . 2 . 3]" 1
1015 1 66 GLU QB 1 67 ASP H . . 3.840 3.293 2.548 3.662 . 0 0 "[ . 1 . 2 . 3]" 1
1016 1 66 GLU QB 1 67 ASP HA . . 4.640 4.310 3.990 4.561 . 0 0 "[ . 1 . 2 . 3]" 1
1017 1 66 GLU QG 1 67 ASP H . . 4.190 2.794 2.007 4.181 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 67 ASP H 1 67 ASP QB . . 3.470 2.832 2.492 2.911 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 67 ASP H 1 68 GLY QA . . 4.620 4.150 4.126 4.190 . 0 0 "[ . 1 . 2 . 3]" 1
1020 1 69 SER H 1 69 SER QB . . 3.620 2.691 2.340 2.927 . 0 0 "[ . 1 . 2 . 3]" 1
1021 1 69 SER H 1 70 GLY QA . . 4.840 4.437 4.371 4.509 . 0 0 "[ . 1 . 2 . 3]" 1
1022 1 70 GLY QA 1 71 THR MG . . 3.950 3.479 3.012 3.981 0.031 12 0 "[ . 1 . 2 . 3]" 1
1023 1 72 VAL HA 1 76 GLU QB . . 3.870 2.921 2.518 3.344 . 0 0 "[ . 1 . 2 . 3]" 1
1024 1 73 ASP H 1 76 GLU QB . . 3.790 2.213 1.909 2.615 . 0 0 "[ . 1 . 2 . 3]" 1
1025 1 73 ASP HA 1 74 PHE QB . . 5.170 4.394 4.311 4.490 . 0 0 "[ . 1 . 2 . 3]" 1
1026 1 73 ASP QB 1 74 PHE H . . 3.520 2.397 1.928 3.162 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 73 ASP QB 1 75 ASP H . . 4.530 2.719 2.344 3.545 . 0 0 "[ . 1 . 2 . 3]" 1
1028 1 74 PHE H 1 74 PHE QB . . 3.330 2.205 2.052 2.257 . 0 0 "[ . 1 . 2 . 3]" 1
1029 1 74 PHE HA 1 77 TRP QB . . 4.280 2.540 2.305 2.712 . 0 0 "[ . 1 . 2 . 3]" 1
1030 1 74 PHE QB 1 75 ASP H . . 3.320 2.643 2.310 2.848 . 0 0 "[ . 1 . 2 . 3]" 1
1031 1 75 ASP H 1 75 ASP QB . . 3.280 2.353 2.175 2.706 . 0 0 "[ . 1 . 2 . 3]" 1
1032 1 75 ASP HA 1 78 LEU QB . . 3.650 2.990 2.425 3.584 . 0 0 "[ . 1 . 2 . 3]" 1
1033 1 75 ASP QB 1 76 GLU H . . 3.760 2.318 2.111 3.089 . 0 0 "[ . 1 . 2 . 3]" 1
1034 1 75 ASP QB 1 76 GLU HA . . 4.660 3.862 3.754 4.074 . 0 0 "[ . 1 . 2 . 3]" 1
1035 1 76 GLU H 1 76 GLU QB . . 3.330 2.412 2.122 2.533 . 0 0 "[ . 1 . 2 . 3]" 1
1036 1 76 GLU H 1 76 GLU QG . . 3.600 2.333 2.007 2.980 . 0 0 "[ . 1 . 2 . 3]" 1
1037 1 76 GLU HA 1 76 GLU QG . . 3.550 2.442 2.250 2.538 . 0 0 "[ . 1 . 2 . 3]" 1
1038 1 76 GLU QB 1 77 TRP H . . 3.740 2.738 2.447 2.978 . 0 0 "[ . 1 . 2 . 3]" 1
1039 1 76 GLU QG 1 77 TRP H . . 4.530 4.220 4.059 4.472 . 0 0 "[ . 1 . 2 . 3]" 1
1040 1 77 TRP H 1 77 TRP QB . . 3.510 2.245 2.132 2.269 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 77 TRP QB 1 78 LEU H . . 4.440 2.653 2.269 2.855 . 0 0 "[ . 1 . 2 . 3]" 1
1042 1 77 TRP HE3 1 78 LEU QB . . 4.950 3.777 2.924 4.910 . 0 0 "[ . 1 . 2 . 3]" 1
1043 1 78 LEU H 1 78 LEU QB . . 3.320 2.128 2.036 2.370 . 0 0 "[ . 1 . 2 . 3]" 1
1044 1 78 LEU QB 1 79 VAL H . . 3.680 2.475 2.319 2.901 . 0 0 "[ . 1 . 2 . 3]" 1
1045 1 78 LEU QB 1 79 VAL HA . . 5.010 3.763 3.677 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
1046 1 80 MET H 1 80 MET QG . . 4.480 3.612 2.428 3.970 . 0 0 "[ . 1 . 2 . 3]" 1
1047 1 80 MET HA 1 80 MET QG . . 3.280 2.321 2.062 2.548 . 0 0 "[ . 1 . 2 . 3]" 1
1048 1 80 MET HA 1 83 ARG QB . . 4.230 3.300 2.826 4.019 . 0 0 "[ . 1 . 2 . 3]" 1
1049 1 80 MET QG 1 81 MET H . . 4.360 3.758 2.960 4.319 . 0 0 "[ . 1 . 2 . 3]" 1
1050 1 81 MET H 1 81 MET QG . . 4.030 3.494 1.893 4.043 0.013 1 0 "[ . 1 . 2 . 3]" 1
1051 1 81 MET HA 1 84 CYS QB . . 3.760 3.148 2.415 3.555 . 0 0 "[ . 1 . 2 . 3]" 1
1052 1 81 MET QG 1 82 ALA H . . 4.550 3.604 1.943 4.353 . 0 0 "[ . 1 . 2 . 3]" 1
1053 1 81 MET QG 1 82 ALA HA . . 4.950 4.268 2.955 4.956 0.006 10 0 "[ . 1 . 2 . 3]" 1
1054 1 82 ALA HA 1 85 MET QG . . 4.070 3.099 2.280 4.190 0.120 9 0 "[ . 1 . 2 . 3]" 1
1055 1 83 ARG H 1 83 ARG QB . . 3.360 2.259 2.047 2.606 . 0 0 "[ . 1 . 2 . 3]" 1
1056 1 83 ARG H 1 83 ARG QG . . 3.940 3.228 1.927 4.026 0.086 3 0 "[ . 1 . 2 . 3]" 1
1057 1 83 ARG HA 1 83 ARG QG . . 3.460 2.564 2.075 3.407 . 0 0 "[ . 1 . 2 . 3]" 1
1058 1 83 ARG QB 1 84 CYS H . . 3.650 3.084 2.912 3.602 . 0 0 "[ . 1 . 2 . 3]" 1
1059 1 84 CYS H 1 84 CYS QB . . 3.230 2.268 2.118 2.497 . 0 0 "[ . 1 . 2 . 3]" 1
1060 1 84 CYS QB 1 85 MET H . . 3.610 3.067 2.901 3.170 . 0 0 "[ . 1 . 2 . 3]" 1
1061 1 84 CYS QB 1 86 LYS H . . 5.810 4.943 4.711 5.324 . 0 0 "[ . 1 . 2 . 3]" 1
1062 1 85 MET H 1 85 MET QG . . 3.410 2.598 2.186 3.517 0.107 26 0 "[ . 1 . 2 . 3]" 1
1063 1 85 MET H 1 86 LYS QB . . 4.720 4.376 4.116 4.804 0.084 8 0 "[ . 1 . 2 . 3]" 1
1064 1 85 MET HA 1 85 MET QG . . 3.630 2.727 2.250 3.414 . 0 0 "[ . 1 . 2 . 3]" 1
1065 1 86 LYS H 1 86 LYS QB . . 2.910 2.390 2.058 3.037 0.127 14 0 "[ . 1 . 2 . 3]" 1
1066 1 87 ASP H 1 87 ASP QB . . 3.250 2.540 2.211 3.271 0.021 12 0 "[ . 1 . 2 . 3]" 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 2
_Distance_constraint_stats_list.Viol_count 2
_Distance_constraint_stats_list.Viol_total 0.339
_Distance_constraint_stats_list.Viol_max 0.011
_Distance_constraint_stats_list.Viol_rms 0.0014
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0057
_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 65 ASP 0.011 0.011 26 0 "[ . 1 . 2 . 3]"
1 70 GLY 0.011 0.011 26 0 "[ . 1 . 2 . 3]"
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 65 ASP OD2 1 70 GLY H . . 2.300 2.062 1.790 2.311 0.011 26 0 "[ . 1 . 2 . 3]" 2
2 1 65 ASP OD2 1 70 GLY N . . 3.300 2.921 2.749 3.148 . 0 0 "[ . 1 . 2 . 3]" 2
stop_
save_
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