Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
431883 | 2jr5 RC | 15320 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jr5
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 1158
_Distance_constraint_stats_list.Viol_count 1124
_Distance_constraint_stats_list.Viol_total 1304.942
_Distance_constraint_stats_list.Viol_max 0.321
_Distance_constraint_stats_list.Viol_rms 0.0173
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0580
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 TYR 1.285 0.187 19 0 "[ . 1 . 2]"
1 3 THR 2.387 0.187 19 0 "[ . 1 . 2]"
1 4 ALA 0.976 0.149 19 0 "[ . 1 . 2]"
1 5 GLU 2.987 0.141 14 0 "[ . 1 . 2]"
1 6 GLN 1.168 0.082 16 0 "[ . 1 . 2]"
1 7 LYS 0.268 0.112 2 0 "[ . 1 . 2]"
1 8 ALA 0.828 0.105 10 0 "[ . 1 . 2]"
1 9 ARG 0.473 0.077 14 0 "[ . 1 . 2]"
1 10 ILE 0.185 0.077 5 0 "[ . 1 . 2]"
1 11 LYS 0.297 0.105 10 0 "[ . 1 . 2]"
1 12 TRP 1.713 0.237 12 0 "[ . 1 . 2]"
1 13 ALA 0.435 0.074 12 0 "[ . 1 . 2]"
1 14 CYS 0.105 0.045 15 0 "[ . 1 . 2]"
1 15 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ARG 0.471 0.145 4 0 "[ . 1 . 2]"
1 17 GLY 0.835 0.145 4 0 "[ . 1 . 2]"
1 18 MET 1.302 0.222 6 0 "[ . 1 . 2]"
1 19 LEU 2.486 0.097 2 0 "[ . 1 . 2]"
1 20 GLU 1.218 0.096 12 0 "[ . 1 . 2]"
1 21 LEU 1.517 0.222 6 0 "[ . 1 . 2]"
1 22 ASP 0.330 0.083 3 0 "[ . 1 . 2]"
1 23 VAL 0.466 0.048 6 0 "[ . 1 . 2]"
1 24 VAL 0.190 0.048 6 0 "[ . 1 . 2]"
1 25 ILE 0.115 0.045 15 0 "[ . 1 . 2]"
1 26 MET 0.009 0.009 16 0 "[ . 1 . 2]"
1 27 PRO 0.847 0.094 9 0 "[ . 1 . 2]"
1 28 PHE 0.195 0.097 3 0 "[ . 1 . 2]"
1 29 PHE 1.238 0.111 3 0 "[ . 1 . 2]"
1 30 GLU 6.591 0.311 12 0 "[ . 1 . 2]"
1 31 GLU 3.340 0.248 2 0 "[ . 1 . 2]"
1 32 CYS 0.213 0.097 3 0 "[ . 1 . 2]"
1 33 PHE 1.690 0.111 3 0 "[ . 1 . 2]"
1 34 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LEU 0.728 0.087 9 0 "[ . 1 . 2]"
1 37 THR 0.571 0.105 16 0 "[ . 1 . 2]"
1 38 GLU 4.283 0.187 20 0 "[ . 1 . 2]"
1 39 SER 3.307 0.122 7 0 "[ . 1 . 2]"
1 40 GLU 1.001 0.108 7 0 "[ . 1 . 2]"
1 41 GLN 3.974 0.250 9 0 "[ . 1 . 2]"
1 42 ASP 2.001 0.111 2 0 "[ . 1 . 2]"
1 43 ASP 1.852 0.098 2 0 "[ . 1 . 2]"
1 44 PHE 1.008 0.101 19 0 "[ . 1 . 2]"
1 45 VAL 0.019 0.013 4 0 "[ . 1 . 2]"
1 46 ALA 0.863 0.111 2 0 "[ . 1 . 2]"
1 47 LEU 0.935 0.108 13 0 "[ . 1 . 2]"
1 48 LEU 0.343 0.149 13 0 "[ . 1 . 2]"
1 49 GLU 0.411 0.074 12 0 "[ . 1 . 2]"
1 50 SER 1.227 0.276 4 0 "[ . 1 . 2]"
1 51 ASP 1.824 0.276 4 0 "[ . 1 . 2]"
1 52 ASP 1.735 0.247 9 0 "[ . 1 . 2]"
1 53 PRO 0.760 0.099 15 0 "[ . 1 . 2]"
1 54 ASP 0.003 0.003 1 0 "[ . 1 . 2]"
1 55 LEU 1.859 0.208 10 0 "[ . 1 . 2]"
1 56 PHE 1.891 0.247 9 0 "[ . 1 . 2]"
1 57 ALA 1.093 0.100 4 0 "[ . 1 . 2]"
1 58 TRP 3.286 0.237 2 0 "[ . 1 . 2]"
1 59 VAL 0.264 0.079 9 0 "[ . 1 . 2]"
1 60 MET 0.544 0.182 7 0 "[ . 1 . 2]"
1 61 GLY 0.561 0.100 4 0 "[ . 1 . 2]"
1 62 HIS 0.880 0.154 8 0 "[ . 1 . 2]"
1 63 GLY 0.808 0.154 8 0 "[ . 1 . 2]"
1 64 ARG 1.298 0.150 4 0 "[ . 1 . 2]"
1 65 CYS 1.272 0.150 4 0 "[ . 1 . 2]"
1 66 GLU 0.543 0.051 7 0 "[ . 1 . 2]"
1 67 ASN 1.375 0.168 1 0 "[ . 1 . 2]"
1 68 LEU 2.445 0.139 1 0 "[ . 1 . 2]"
1 69 GLY 1.441 0.139 1 0 "[ . 1 . 2]"
1 70 LEU 2.338 0.168 1 0 "[ . 1 . 2]"
1 71 ALA 0.014 0.013 10 0 "[ . 1 . 2]"
1 72 ALA 0.075 0.055 7 0 "[ . 1 . 2]"
1 73 MET 0.546 0.100 10 0 "[ . 1 . 2]"
1 74 VAL 0.135 0.079 9 0 "[ . 1 . 2]"
1 75 ASP 0.465 0.050 13 0 "[ . 1 . 2]"
1 76 LYS 0.938 0.103 1 0 "[ . 1 . 2]"
1 77 ILE 0.074 0.031 8 0 "[ . 1 . 2]"
1 78 VAL 0.054 0.017 15 0 "[ . 1 . 2]"
1 79 ALA 0.267 0.060 4 0 "[ . 1 . 2]"
1 80 HIS 0.327 0.129 14 0 "[ . 1 . 2]"
1 81 ASN 0.701 0.089 8 0 "[ . 1 . 2]"
1 82 LEU 1.988 0.198 5 0 "[ . 1 . 2]"
1 83 SER 2.630 0.131 11 0 "[ . 1 . 2]"
1 84 LYS 0.496 0.287 1 0 "[ . 1 . 2]"
1 85 VAL 1.716 0.118 18 0 "[ . 1 . 2]"
1 86 ARG 3.784 0.194 13 0 "[ . 1 . 2]"
1 87 LEU 3.776 0.194 13 0 "[ . 1 . 2]"
1 88 GLU 1.146 0.321 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 TYR HA 1 3 THR H 2.390 . 2.980 2.174 2.086 2.434 . 0 0 "[ . 1 . 2]" 1
2 1 2 TYR HB2 1 3 THR H 3.050 . 4.310 4.152 2.355 4.497 0.187 19 0 "[ . 1 . 2]" 1
3 1 2 TYR HB3 1 3 THR H 3.050 . 4.310 3.531 2.843 3.956 . 0 0 "[ . 1 . 2]" 1
4 1 3 THR H 1 4 ALA H 3.110 . 4.420 4.433 4.292 4.569 0.149 19 0 "[ . 1 . 2]" 1
5 1 3 THR HA 1 4 ALA H 2.510 . 3.230 2.606 2.312 2.851 . 0 0 "[ . 1 . 2]" 1
6 1 3 THR HB 1 4 ALA H 2.550 . 3.300 2.026 1.702 2.700 0.098 14 0 "[ . 1 . 2]" 1
7 1 4 ALA H 1 5 GLU H 2.870 . 3.950 2.704 2.531 2.881 . 0 0 "[ . 1 . 2]" 1
8 1 5 GLU HB2 1 6 GLN H 2.750 . 3.700 3.134 2.397 3.782 0.082 15 0 "[ . 1 . 2]" 1
9 1 5 GLU HB3 1 6 GLN H 2.750 . 3.700 3.046 2.352 3.755 0.055 16 0 "[ . 1 . 2]" 1
10 1 7 LYS H 1 8 ALA H 2.620 . 3.440 2.680 2.535 2.842 . 0 0 "[ . 1 . 2]" 1
11 1 9 ARG H 1 10 ILE H 2.660 . 3.520 2.605 2.507 2.696 . 0 0 "[ . 1 . 2]" 1
12 1 10 ILE HB 1 11 LYS H 2.820 . 3.840 2.527 2.342 2.625 . 0 0 "[ . 1 . 2]" 1
13 1 16 ARG H 1 17 GLY H 3.500 . 5.210 3.658 1.936 4.629 . 0 0 "[ . 1 . 2]" 1
14 1 16 ARG HB2 1 17 GLY H 3.000 . 4.200 3.655 2.366 4.345 0.145 4 0 "[ . 1 . 2]" 1
15 1 16 ARG HB3 1 17 GLY H 3.000 . 4.200 3.110 1.818 4.292 0.092 5 0 "[ . 1 . 2]" 1
16 1 19 LEU H 1 20 GLU H 3.000 . 4.200 2.592 2.333 2.905 . 0 0 "[ . 1 . 2]" 1
17 1 19 LEU HB2 1 20 GLU H 2.800 . 3.800 2.892 2.538 3.209 . 0 0 "[ . 1 . 2]" 1
18 1 20 GLU H 1 21 LEU H 2.840 . 3.880 2.645 2.407 2.831 . 0 0 "[ . 1 . 2]" 1
19 1 21 LEU HB2 1 22 ASP H 3.200 . 4.600 3.023 2.430 3.731 . 0 0 "[ . 1 . 2]" 1
20 1 22 ASP H 1 23 VAL H 2.870 . 3.950 2.757 2.534 2.909 . 0 0 "[ . 1 . 2]" 1
21 1 22 ASP HB2 1 23 VAL H 2.910 . 4.020 3.903 2.804 4.059 0.039 3 0 "[ . 1 . 2]" 1
22 1 22 ASP HB3 1 23 VAL H 2.910 . 4.020 2.710 2.490 3.290 . 0 0 "[ . 1 . 2]" 1
23 1 24 VAL H 1 25 ILE H 2.580 . 3.370 2.263 2.014 2.702 . 0 0 "[ . 1 . 2]" 1
24 1 24 VAL HB 1 25 ILE H 3.110 . 4.420 3.629 2.232 4.397 . 0 0 "[ . 1 . 2]" 1
25 1 25 ILE H 1 26 MET H 2.800 . 3.800 2.549 2.087 2.811 . 0 0 "[ . 1 . 2]" 1
26 1 25 ILE HB 1 26 MET H 2.750 . 3.700 2.583 2.227 2.874 . 0 0 "[ . 1 . 2]" 1
27 1 27 PRO HB2 1 28 PHE H 3.020 . 4.240 2.957 2.519 3.614 . 0 0 "[ . 1 . 2]" 1
28 1 30 GLU H 1 31 GLU H 2.750 . 3.700 2.696 2.584 2.825 . 0 0 "[ . 1 . 2]" 1
29 1 30 GLU HB3 1 31 GLU H 2.760 . 3.730 3.654 3.454 3.817 0.087 15 0 "[ . 1 . 2]" 1
30 1 30 GLU HB2 1 31 GLU H 2.580 . 3.370 2.549 2.397 2.735 . 0 0 "[ . 1 . 2]" 1
31 1 32 CYS HB2 1 33 PHE H 3.430 . 5.060 3.586 2.535 4.113 . 0 0 "[ . 1 . 2]" 1
32 1 32 CYS HB3 1 33 PHE H 3.430 . 5.060 3.597 2.764 4.166 . 0 0 "[ . 1 . 2]" 1
33 1 33 PHE H 1 34 ASP H 2.760 . 3.730 2.777 2.614 2.891 . 0 0 "[ . 1 . 2]" 1
34 1 33 PHE HB2 1 34 ASP H 3.000 . 4.200 4.020 3.830 4.120 . 0 0 "[ . 1 . 2]" 1
35 1 33 PHE HB3 1 34 ASP H 3.000 . 4.200 2.761 2.434 2.873 . 0 0 "[ . 1 . 2]" 1
36 1 34 ASP HB2 1 35 SER H 3.090 . 4.380 4.093 3.914 4.228 . 0 0 "[ . 1 . 2]" 1
37 1 34 ASP HB3 1 35 SER H 3.090 . 4.380 3.002 2.730 3.219 . 0 0 "[ . 1 . 2]" 1
38 1 36 LEU H 1 37 THR H 3.480 . 5.170 4.517 4.266 4.626 . 0 0 "[ . 1 . 2]" 1
39 1 37 THR H 1 40 GLU HB3 2.910 . 4.020 3.978 3.584 4.107 0.087 18 0 "[ . 1 . 2]" 1
40 1 37 THR H 1 38 GLU H 3.680 . 5.570 4.523 4.366 4.605 . 0 0 "[ . 1 . 2]" 1
41 1 37 THR HB 1 38 GLU H 2.460 . 3.120 2.365 1.881 3.225 0.105 16 0 "[ . 1 . 2]" 1
42 1 38 GLU H 1 39 SER H 2.690 . 3.590 2.763 2.563 2.931 . 0 0 "[ . 1 . 2]" 1
43 1 38 GLU HB2 1 39 SER H 2.600 . 3.410 2.607 2.485 2.777 . 0 0 "[ . 1 . 2]" 1
44 1 38 GLU HB3 1 39 SER H 2.710 . 3.620 3.648 3.488 3.726 0.106 4 0 "[ . 1 . 2]" 1
45 1 39 SER HB2 1 40 GLU H 3.070 . 4.340 2.708 2.302 3.828 . 0 0 "[ . 1 . 2]" 1
46 1 39 SER HB3 1 40 GLU H 3.070 . 4.340 3.684 2.583 4.078 . 0 0 "[ . 1 . 2]" 1
47 1 41 GLN H 1 42 ASP H 2.730 . 3.660 2.703 2.599 2.778 . 0 0 "[ . 1 . 2]" 1
48 1 41 GLN HB2 1 42 ASP H 3.020 . 4.240 3.055 2.554 4.108 . 0 0 "[ . 1 . 2]" 1
49 1 41 GLN HB3 1 42 ASP H 3.020 . 4.240 3.252 2.332 3.681 . 0 0 "[ . 1 . 2]" 1
50 1 42 ASP HB2 1 43 ASP H 2.800 . 3.800 3.828 3.731 3.898 0.098 2 0 "[ . 1 . 2]" 1
51 1 42 ASP HB3 1 43 ASP H 2.800 . 3.800 2.517 2.414 2.705 . 0 0 "[ . 1 . 2]" 1
52 1 43 ASP HB2 1 44 PHE H 2.870 . 3.950 3.300 2.649 3.821 . 0 0 "[ . 1 . 2]" 1
53 1 43 ASP HB3 1 44 PHE H 2.870 . 3.950 2.963 2.479 3.551 . 0 0 "[ . 1 . 2]" 1
54 1 44 PHE HB2 1 45 VAL H 2.910 . 4.020 3.834 3.747 3.940 . 0 0 "[ . 1 . 2]" 1
55 1 44 PHE HB3 1 45 VAL H 2.840 . 3.880 2.513 2.392 2.650 . 0 0 "[ . 1 . 2]" 1
56 1 45 VAL HB 1 46 ALA H 2.620 . 3.440 2.638 2.435 2.763 . 0 0 "[ . 1 . 2]" 1
57 1 47 LEU HB3 1 48 LEU H 2.840 . 3.880 2.982 2.515 3.598 . 0 0 "[ . 1 . 2]" 1
58 1 47 LEU HB2 1 48 LEU H 2.930 . 4.060 3.411 2.458 3.993 . 0 0 "[ . 1 . 2]" 1
59 1 48 LEU HB2 1 49 GLU H 3.230 . 4.670 2.980 2.740 3.290 . 0 0 "[ . 1 . 2]" 1
60 1 48 LEU HB3 1 49 GLU H 3.230 . 4.670 3.904 3.686 4.090 . 0 0 "[ . 1 . 2]" 1
61 1 49 GLU H 1 50 SER H 2.580 . 3.370 2.498 2.353 2.865 . 0 0 "[ . 1 . 2]" 1
62 1 49 GLU HB3 1 50 SER H 3.200 . 4.600 4.001 3.419 4.150 . 0 0 "[ . 1 . 2]" 1
63 1 50 SER H 1 51 ASP H 3.380 . 4.960 4.362 3.836 4.557 . 0 0 "[ . 1 . 2]" 1
64 1 50 SER HB2 1 51 ASP H 2.890 . 3.980 3.480 2.879 4.256 0.276 4 0 "[ . 1 . 2]" 1
65 1 51 ASP HA 1 52 ASP H 2.420 . 3.050 2.499 2.096 3.061 0.011 12 0 "[ . 1 . 2]" 1
66 1 53 PRO HB2 1 54 ASP H 2.980 . 4.160 2.678 2.305 3.440 . 0 0 "[ . 1 . 2]" 1
67 1 53 PRO HB3 1 54 ASP H 2.980 . 4.160 3.896 3.750 4.157 . 0 0 "[ . 1 . 2]" 1
68 1 54 ASP HB3 1 55 LEU H 3.470 . 5.140 3.774 2.710 4.051 . 0 0 "[ . 1 . 2]" 1
69 1 55 LEU H 1 56 PHE H 2.820 . 3.840 2.726 2.563 2.791 . 0 0 "[ . 1 . 2]" 1
70 1 55 LEU HB2 1 56 PHE H 2.870 . 3.950 3.386 2.369 3.695 . 0 0 "[ . 1 . 2]" 1
71 1 55 LEU HB3 1 56 PHE H 2.870 . 3.950 2.570 2.263 3.666 . 0 0 "[ . 1 . 2]" 1
72 1 56 PHE HB3 1 57 ALA H 2.730 . 3.660 2.672 2.484 2.836 . 0 0 "[ . 1 . 2]" 1
73 1 56 PHE HB2 1 57 ALA H 2.840 . 3.880 3.826 3.691 3.931 0.051 13 0 "[ . 1 . 2]" 1
74 1 57 ALA H 1 58 TRP H 2.690 . 3.590 2.679 2.536 2.856 . 0 0 "[ . 1 . 2]" 1
75 1 58 TRP HB3 1 59 VAL H 3.270 . 4.740 3.605 3.356 3.776 . 0 0 "[ . 1 . 2]" 1
76 1 58 TRP HB2 1 59 VAL H 3.120 . 4.450 2.961 2.626 3.121 . 0 0 "[ . 1 . 2]" 1
77 1 59 VAL H 1 60 MET H 2.750 . 3.700 2.646 2.555 2.733 . 0 0 "[ . 1 . 2]" 1
78 1 59 VAL HB 1 60 MET H 3.050 . 4.310 2.696 2.561 2.861 . 0 0 "[ . 1 . 2]" 1
79 1 60 MET H 1 61 GLY H 2.640 . 3.480 2.359 2.192 2.492 . 0 0 "[ . 1 . 2]" 1
80 1 61 GLY H 1 62 HIS H 2.620 . 3.440 2.442 2.142 2.744 . 0 0 "[ . 1 . 2]" 1
81 1 62 HIS HA 1 63 GLY H 2.530 . 3.260 2.763 2.192 3.383 0.123 10 0 "[ . 1 . 2]" 1
82 1 62 HIS HB2 1 63 GLY H 3.300 . 4.810 4.368 3.230 4.669 . 0 0 "[ . 1 . 2]" 1
83 1 62 HIS HB3 1 63 GLY H 3.300 . 4.810 4.105 3.558 4.466 . 0 0 "[ . 1 . 2]" 1
84 1 63 GLY H 1 64 ARG H 3.120 . 4.450 4.185 2.073 4.542 0.092 6 0 "[ . 1 . 2]" 1
85 1 63 GLY HA2 1 64 ARG H 2.600 . 3.410 2.565 2.144 3.481 0.071 12 0 "[ . 1 . 2]" 1
86 1 63 GLY HA3 1 64 ARG H 2.600 . 3.410 2.638 2.107 3.331 . 0 0 "[ . 1 . 2]" 1
87 1 64 ARG HA 1 65 CYS H 2.350 . 2.900 2.395 2.133 3.041 0.141 10 0 "[ . 1 . 2]" 1
88 1 64 ARG HB2 1 65 CYS H 2.870 . 3.950 3.587 2.318 4.100 0.150 4 0 "[ . 1 . 2]" 1
89 1 65 CYS H 1 66 GLU H 3.340 . 4.880 4.395 3.942 4.597 . 0 0 "[ . 1 . 2]" 1
90 1 65 CYS HB2 1 66 GLU H 3.430 . 5.060 3.653 2.048 4.399 . 0 0 "[ . 1 . 2]" 1
91 1 65 CYS HB3 1 66 GLU H 3.430 . 5.060 3.531 2.365 4.349 . 0 0 "[ . 1 . 2]" 1
92 1 66 GLU H 1 67 ASN H 2.600 . 3.410 2.525 2.169 2.823 . 0 0 "[ . 1 . 2]" 1
93 1 66 GLU HB2 1 67 ASN H 2.890 . 3.980 2.698 2.435 2.891 . 0 0 "[ . 1 . 2]" 1
94 1 66 GLU HB3 1 67 ASN H 3.000 . 4.200 3.720 3.157 3.957 . 0 0 "[ . 1 . 2]" 1
95 1 67 ASN H 1 68 LEU H 3.110 . 4.420 4.287 4.137 4.445 0.025 20 0 "[ . 1 . 2]" 1
96 1 67 ASN HA 1 68 LEU H 2.370 . 2.940 2.170 2.093 2.379 . 0 0 "[ . 1 . 2]" 1
97 1 68 LEU H 1 69 GLY H 2.730 . 3.660 2.526 2.451 2.680 . 0 0 "[ . 1 . 2]" 1
98 1 68 LEU HA 1 69 GLY H 2.670 . 3.550 3.403 3.345 3.467 . 0 0 "[ . 1 . 2]" 1
99 1 68 LEU HB2 1 69 GLY H 2.660 . 3.520 3.218 3.072 3.370 . 0 0 "[ . 1 . 2]" 1
100 1 68 LEU HB3 1 69 GLY H 2.850 . 3.910 3.982 3.920 4.049 0.139 1 0 "[ . 1 . 2]" 1
101 1 70 LEU HB2 1 71 ALA H 2.730 . 3.660 2.657 2.425 2.892 . 0 0 "[ . 1 . 2]" 1
102 1 71 ALA H 1 72 ALA H 2.670 . 3.550 2.626 2.516 2.735 . 0 0 "[ . 1 . 2]" 1
103 1 72 ALA H 1 73 MET H 2.530 . 3.260 2.759 2.581 2.886 . 0 0 "[ . 1 . 2]" 1
104 1 74 VAL H 1 75 ASP H 2.670 . 3.550 2.606 2.548 2.673 . 0 0 "[ . 1 . 2]" 1
105 1 74 VAL HB 1 75 ASP H 2.570 . 3.340 2.645 2.467 2.757 . 0 0 "[ . 1 . 2]" 1
106 1 75 ASP HB2 1 76 LYS H 2.850 . 3.910 3.902 3.825 3.949 0.039 14 0 "[ . 1 . 2]" 1
107 1 75 ASP HB3 1 76 LYS H 2.850 . 3.910 2.612 2.458 2.739 . 0 0 "[ . 1 . 2]" 1
108 1 76 LYS H 1 77 ILE H 2.660 . 3.520 2.615 2.559 2.709 . 0 0 "[ . 1 . 2]" 1
109 1 76 LYS HB3 1 77 ILE H 2.980 . 4.160 3.779 3.590 3.896 . 0 0 "[ . 1 . 2]" 1
110 1 76 LYS HB2 1 77 ILE H 2.800 . 3.800 2.687 2.553 2.819 . 0 0 "[ . 1 . 2]" 1
111 1 77 ILE H 1 78 VAL H 2.710 . 3.620 2.631 2.514 2.734 . 0 0 "[ . 1 . 2]" 1
112 1 77 ILE HB 1 78 VAL H 2.670 . 3.550 2.488 2.382 2.638 . 0 0 "[ . 1 . 2]" 1
113 1 78 VAL HB 1 79 ALA H 2.600 . 3.410 2.635 2.498 2.791 . 0 0 "[ . 1 . 2]" 1
114 1 82 LEU H 1 83 SER H 2.600 . 3.410 2.740 2.639 2.855 . 0 0 "[ . 1 . 2]" 1
115 1 82 LEU HB2 1 83 SER H 2.750 . 3.700 3.462 2.769 3.831 0.131 11 0 "[ . 1 . 2]" 1
116 1 82 LEU HB3 1 83 SER H 2.750 . 3.700 2.945 2.500 3.717 0.017 5 0 "[ . 1 . 2]" 1
117 1 85 VAL H 1 86 ARG H 2.640 . 3.480 2.564 2.407 2.744 . 0 0 "[ . 1 . 2]" 1
118 1 86 ARG H 1 87 LEU H 2.960 . 4.130 2.471 2.360 2.607 . 0 0 "[ . 1 . 2]" 1
119 1 86 ARG HB3 1 87 LEU H 2.850 . 3.910 3.845 2.578 4.104 0.194 13 0 "[ . 1 . 2]" 1
120 1 87 LEU HB2 1 88 GLU H 2.910 . 4.020 3.330 2.114 4.063 0.043 5 0 "[ . 1 . 2]" 1
121 1 87 LEU HB3 1 88 GLU H 2.910 . 4.020 2.693 1.862 3.607 . 0 0 "[ . 1 . 2]" 1
122 1 5 GLU H 1 5 GLU HB2 2.660 . 3.520 2.439 2.125 2.742 . 0 0 "[ . 1 . 2]" 1
123 1 6 GLN H 1 6 GLN HB2 2.730 . 3.660 2.400 2.139 2.578 . 0 0 "[ . 1 . 2]" 1
124 1 6 GLN H 1 6 GLN HB3 2.930 . 4.060 3.264 2.500 3.603 . 0 0 "[ . 1 . 2]" 1
125 1 12 TRP H 1 12 TRP HB2 2.750 . 3.700 2.302 2.239 2.449 . 0 0 "[ . 1 . 2]" 1
126 1 12 TRP H 1 12 TRP HB3 2.750 . 3.700 3.560 3.531 3.618 . 0 0 "[ . 1 . 2]" 1
127 1 21 LEU H 1 21 LEU HB2 2.840 . 3.880 2.377 2.162 2.502 . 0 0 "[ . 1 . 2]" 1
128 1 21 LEU H 1 21 LEU HB3 2.840 . 3.880 3.521 2.696 3.664 . 0 0 "[ . 1 . 2]" 1
129 1 22 ASP H 1 22 ASP HB2 2.820 . 3.840 2.578 2.241 2.783 . 0 0 "[ . 1 . 2]" 1
130 1 22 ASP H 1 22 ASP HB3 2.820 . 3.840 2.506 2.263 3.523 . 0 0 "[ . 1 . 2]" 1
131 1 23 VAL H 1 23 VAL HB 2.730 . 3.660 2.948 2.505 3.655 . 0 0 "[ . 1 . 2]" 1
132 1 24 VAL H 1 24 VAL HB 2.820 . 3.840 3.255 2.494 3.816 . 0 0 "[ . 1 . 2]" 1
133 1 26 MET H 1 26 MET HB3 2.760 . 3.730 2.839 2.490 3.617 . 0 0 "[ . 1 . 2]" 1
134 1 30 GLU H 1 30 GLU HB3 2.760 . 3.730 3.568 3.527 3.602 . 0 0 "[ . 1 . 2]" 1
135 1 30 GLU H 1 30 GLU HB2 2.670 . 3.550 2.554 2.419 2.669 . 0 0 "[ . 1 . 2]" 1
136 1 32 CYS H 1 32 CYS HB2 2.820 . 3.840 2.760 2.336 3.645 . 0 0 "[ . 1 . 2]" 1
137 1 32 CYS H 1 32 CYS HB3 2.820 . 3.840 2.989 2.549 3.619 . 0 0 "[ . 1 . 2]" 1
138 1 33 PHE H 1 33 PHE HB2 2.620 . 3.440 2.600 2.446 2.759 . 0 0 "[ . 1 . 2]" 1
139 1 33 PHE H 1 33 PHE HB3 2.620 . 3.440 2.421 2.290 2.566 . 0 0 "[ . 1 . 2]" 1
140 1 34 ASP H 1 34 ASP HB2 2.600 . 3.410 2.545 2.272 2.708 . 0 0 "[ . 1 . 2]" 1
141 1 34 ASP H 1 34 ASP HB3 2.600 . 3.410 2.501 2.329 2.755 . 0 0 "[ . 1 . 2]" 1
142 1 38 GLU H 1 38 GLU HB2 2.490 . 3.190 2.534 2.408 2.681 . 0 0 "[ . 1 . 2]" 1
143 1 38 GLU H 1 38 GLU HB3 2.750 . 3.700 3.584 3.555 3.616 . 0 0 "[ . 1 . 2]" 1
144 1 39 SER H 1 39 SER HB3 2.620 . 3.440 3.303 2.608 3.562 0.122 7 0 "[ . 1 . 2]" 1
145 1 40 GLU H 1 40 GLU HB3 2.800 . 3.800 3.589 3.574 3.612 . 0 0 "[ . 1 . 2]" 1
146 1 40 GLU H 1 40 GLU HB2 2.670 . 3.550 2.519 2.394 2.703 . 0 0 "[ . 1 . 2]" 1
147 1 42 ASP H 1 42 ASP HB2 2.670 . 3.550 2.555 2.348 2.681 . 0 0 "[ . 1 . 2]" 1
148 1 42 ASP H 1 42 ASP HB3 2.670 . 3.550 2.503 2.356 2.678 . 0 0 "[ . 1 . 2]" 1
149 1 43 ASP H 1 43 ASP HB2 2.660 . 3.520 2.288 2.137 2.394 . 0 0 "[ . 1 . 2]" 1
150 1 43 ASP H 1 43 ASP HB3 2.660 . 3.520 3.090 2.609 3.572 0.052 17 0 "[ . 1 . 2]" 1
151 1 44 PHE H 1 44 PHE HB2 2.620 . 3.440 2.521 2.413 2.664 . 0 0 "[ . 1 . 2]" 1
152 1 44 PHE H 1 44 PHE HB3 2.660 . 3.520 2.510 2.347 2.652 . 0 0 "[ . 1 . 2]" 1
153 1 45 VAL H 1 45 VAL HB 2.480 . 3.160 2.519 2.465 2.553 . 0 0 "[ . 1 . 2]" 1
154 1 47 LEU H 1 47 LEU HB3 2.750 . 3.700 2.931 2.360 3.573 . 0 0 "[ . 1 . 2]" 1
155 1 47 LEU H 1 47 LEU HB2 2.580 . 3.370 2.420 2.130 2.607 . 0 0 "[ . 1 . 2]" 1
156 1 48 LEU H 1 48 LEU HB2 2.670 . 3.550 2.480 2.425 2.565 . 0 0 "[ . 1 . 2]" 1
157 1 48 LEU H 1 48 LEU HB3 2.760 . 3.730 3.586 3.575 3.595 . 0 0 "[ . 1 . 2]" 1
158 1 49 GLU H 1 49 GLU HB3 2.750 . 3.700 3.605 3.557 3.646 . 0 0 "[ . 1 . 2]" 1
159 1 49 GLU H 1 49 GLU HB2 2.530 . 3.260 2.424 2.292 2.534 . 0 0 "[ . 1 . 2]" 1
160 1 50 SER H 1 50 SER HB3 2.780 . 3.770 3.449 2.551 3.950 0.180 4 0 "[ . 1 . 2]" 1
161 1 50 SER H 1 50 SER HB2 2.580 . 3.370 2.629 2.480 2.976 . 0 0 "[ . 1 . 2]" 1
162 1 52 ASP H 1 52 ASP HB2 2.800 . 3.800 3.408 2.499 3.921 0.121 20 0 "[ . 1 . 2]" 1
163 1 52 ASP H 1 52 ASP HB3 2.800 . 3.800 3.277 2.959 3.914 0.114 12 0 "[ . 1 . 2]" 1
164 1 54 ASP H 1 54 ASP HB2 2.710 . 3.620 2.984 2.515 3.619 . 0 0 "[ . 1 . 2]" 1
165 1 54 ASP H 1 54 ASP HB3 2.710 . 3.620 3.172 2.542 3.623 0.003 1 0 "[ . 1 . 2]" 1
166 1 55 LEU H 1 55 LEU HB2 2.660 . 3.520 2.283 1.992 2.488 . 0 0 "[ . 1 . 2]" 1
167 1 55 LEU H 1 55 LEU HB3 2.660 . 3.520 2.866 2.584 3.568 0.048 6 0 "[ . 1 . 2]" 1
168 1 56 PHE H 1 56 PHE HB3 2.580 . 3.370 2.636 2.497 2.783 . 0 0 "[ . 1 . 2]" 1
169 1 56 PHE H 1 56 PHE HB2 2.620 . 3.440 2.387 2.275 2.497 . 0 0 "[ . 1 . 2]" 1
170 1 58 TRP H 1 58 TRP HB3 2.780 . 3.770 3.573 3.495 3.610 . 0 0 "[ . 1 . 2]" 1
171 1 58 TRP H 1 58 TRP HB2 2.750 . 3.700 2.308 2.220 2.361 . 0 0 "[ . 1 . 2]" 1
172 1 59 VAL H 1 59 VAL HB 2.760 . 3.730 2.542 2.467 2.644 . 0 0 "[ . 1 . 2]" 1
173 1 60 MET H 1 60 MET HB3 2.820 . 3.840 3.285 2.536 3.642 . 0 0 "[ . 1 . 2]" 1
174 1 60 MET H 1 60 MET HB2 2.750 . 3.700 2.738 2.341 3.689 . 0 0 "[ . 1 . 2]" 1
175 1 62 HIS H 1 62 HIS HB2 2.850 . 3.910 2.920 2.580 3.321 . 0 0 "[ . 1 . 2]" 1
176 1 62 HIS H 1 62 HIS HB3 2.850 . 3.910 3.381 2.587 3.884 . 0 0 "[ . 1 . 2]" 1
177 1 64 ARG H 1 64 ARG HB3 2.940 . 4.090 3.588 2.488 4.124 0.034 4 0 "[ . 1 . 2]" 1
178 1 65 CYS H 1 65 CYS HB3 2.780 . 3.770 3.064 2.521 3.806 0.036 17 0 "[ . 1 . 2]" 1
179 1 66 GLU H 1 66 GLU HB3 2.690 . 3.590 3.595 3.496 3.641 0.051 12 0 "[ . 1 . 2]" 1
180 1 68 LEU H 1 68 LEU HB2 2.480 . 3.160 2.384 2.355 2.415 . 0 0 "[ . 1 . 2]" 1
181 1 70 LEU H 1 70 LEU HB2 2.420 . 3.050 2.352 2.257 2.477 . 0 0 "[ . 1 . 2]" 1
182 1 70 LEU H 1 70 LEU HB3 2.670 . 3.550 3.560 3.535 3.589 0.039 19 0 "[ . 1 . 2]" 1
183 1 74 VAL H 1 74 VAL HB 2.530 . 3.260 2.562 2.464 2.648 . 0 0 "[ . 1 . 2]" 1
184 1 75 ASP H 1 75 ASP HB2 2.660 . 3.520 2.538 2.415 2.629 . 0 0 "[ . 1 . 2]" 1
185 1 75 ASP H 1 75 ASP HB3 2.660 . 3.520 2.503 2.404 2.609 . 0 0 "[ . 1 . 2]" 1
186 1 76 LYS H 1 76 LYS HB2 2.530 . 3.260 2.566 2.418 2.761 . 0 0 "[ . 1 . 2]" 1
187 1 77 ILE H 1 77 ILE HB 2.550 . 3.300 2.533 2.487 2.630 . 0 0 "[ . 1 . 2]" 1
188 1 78 VAL H 1 78 VAL HB 2.480 . 3.160 2.552 2.480 2.617 . 0 0 "[ . 1 . 2]" 1
189 1 80 HIS H 1 80 HIS HB3 2.600 . 3.410 2.844 2.483 3.539 0.129 14 0 "[ . 1 . 2]" 1
190 1 80 HIS H 1 80 HIS HB2 2.580 . 3.370 2.366 2.054 2.602 . 0 0 "[ . 1 . 2]" 1
191 1 86 ARG H 1 86 ARG HB3 2.730 . 3.660 2.444 2.090 2.649 . 0 0 "[ . 1 . 2]" 1
192 1 5 GLU H 1 6 GLN H 2.690 . 3.590 2.663 2.526 2.768 . 0 0 "[ . 1 . 2]" 1
193 1 6 GLN H 1 7 LYS H 2.550 . 3.300 2.599 2.470 2.741 . 0 0 "[ . 1 . 2]" 1
194 1 8 ALA H 1 9 ARG H 2.580 . 3.370 2.668 2.530 2.873 . 0 0 "[ . 1 . 2]" 1
195 1 11 LYS H 1 12 TRP H 2.820 . 3.840 2.739 2.634 2.865 . 0 0 "[ . 1 . 2]" 1
196 1 12 TRP H 1 13 ALA H 2.780 . 3.770 2.616 2.501 2.748 . 0 0 "[ . 1 . 2]" 1
197 1 13 ALA H 1 14 CYS H 2.660 . 3.520 2.484 2.195 2.942 . 0 0 "[ . 1 . 2]" 1
198 1 14 CYS H 1 15 ARG H 2.670 . 3.550 2.580 2.456 2.716 . 0 0 "[ . 1 . 2]" 1
199 1 17 GLY H 1 18 MET H 2.660 . 3.520 2.727 1.758 3.612 0.092 6 0 "[ . 1 . 2]" 1
200 1 21 LEU H 1 22 ASP H 2.580 . 3.370 2.387 1.894 2.696 . 0 0 "[ . 1 . 2]" 1
201 1 23 VAL H 1 24 VAL H 2.760 . 3.730 2.605 2.449 2.785 . 0 0 "[ . 1 . 2]" 1
202 1 28 PHE H 1 29 PHE H 2.580 . 3.370 2.592 2.506 2.712 . 0 0 "[ . 1 . 2]" 1
203 1 31 GLU H 1 32 CYS H 2.580 . 3.370 2.621 2.406 2.759 . 0 0 "[ . 1 . 2]" 1
204 1 32 CYS H 1 33 PHE H 2.510 . 3.230 2.528 2.413 2.779 . 0 0 "[ . 1 . 2]" 1
205 1 34 ASP H 1 35 SER H 2.600 . 3.410 2.624 2.534 2.756 . 0 0 "[ . 1 . 2]" 1
206 1 35 SER H 1 36 LEU H 2.440 . 3.080 2.186 2.027 2.413 . 0 0 "[ . 1 . 2]" 1
207 1 39 SER H 1 40 GLU H 2.620 . 3.440 2.811 2.710 2.873 . 0 0 "[ . 1 . 2]" 1
208 1 40 GLU H 1 41 GLN H 2.710 . 3.620 2.566 2.469 2.690 . 0 0 "[ . 1 . 2]" 1
209 1 42 ASP H 1 43 ASP H 2.640 . 3.480 2.671 2.534 2.772 . 0 0 "[ . 1 . 2]" 1
210 1 43 ASP H 1 44 PHE H 2.670 . 3.550 2.627 2.488 2.764 . 0 0 "[ . 1 . 2]" 1
211 1 44 PHE H 1 45 VAL H 2.730 . 3.660 2.709 2.613 2.803 . 0 0 "[ . 1 . 2]" 1
212 1 45 VAL H 1 46 ALA H 2.570 . 3.340 2.670 2.570 2.773 . 0 0 "[ . 1 . 2]" 1
213 1 46 ALA H 1 47 LEU H 2.690 . 3.590 2.715 2.649 2.771 . 0 0 "[ . 1 . 2]" 1
214 1 47 LEU H 1 48 LEU H 2.870 . 3.950 2.641 2.576 2.847 . 0 0 "[ . 1 . 2]" 1
215 1 48 LEU H 1 49 GLU H 2.820 . 3.840 2.666 2.530 2.915 . 0 0 "[ . 1 . 2]" 1
216 1 54 ASP H 1 55 LEU H 2.600 . 3.410 2.555 2.468 2.690 . 0 0 "[ . 1 . 2]" 1
217 1 56 PHE H 1 57 ALA H 2.760 . 3.730 2.677 2.586 2.816 . 0 0 "[ . 1 . 2]" 1
218 1 58 TRP H 1 59 VAL H 2.760 . 3.730 2.528 2.395 2.696 . 0 0 "[ . 1 . 2]" 1
219 1 62 HIS H 1 63 GLY H 2.620 . 3.440 2.648 1.825 3.594 0.154 8 0 "[ . 1 . 2]" 1
220 1 64 ARG H 1 65 CYS H 3.380 . 4.960 4.125 1.955 4.602 . 0 0 "[ . 1 . 2]" 1
221 1 69 GLY H 1 70 LEU H 2.510 . 3.230 2.767 2.689 2.871 . 0 0 "[ . 1 . 2]" 1
222 1 70 LEU H 1 71 ALA H 2.570 . 3.340 2.588 2.489 2.733 . 0 0 "[ . 1 . 2]" 1
223 1 73 MET H 1 74 VAL H 2.580 . 3.370 2.548 2.451 2.736 . 0 0 "[ . 1 . 2]" 1
224 1 75 ASP H 1 76 LYS H 2.690 . 3.590 2.748 2.608 2.838 . 0 0 "[ . 1 . 2]" 1
225 1 78 VAL H 1 79 ALA H 2.620 . 3.440 2.728 2.638 2.859 . 0 0 "[ . 1 . 2]" 1
226 1 83 SER H 1 84 LYS H 2.550 . 3.300 2.686 2.508 2.800 . 0 0 "[ . 1 . 2]" 1
227 1 84 LYS H 1 85 VAL H 2.620 . 3.440 2.536 2.460 2.705 . 0 0 "[ . 1 . 2]" 1
228 1 87 LEU H 1 88 GLU H 2.820 . 3.840 2.647 2.333 2.946 . 0 0 "[ . 1 . 2]" 1
229 1 7 LYS H 1 9 ARG H 3.320 . 4.850 4.250 4.073 4.827 . 0 0 "[ . 1 . 2]" 1
230 1 6 GLN HA 1 8 ALA H 2.960 . 4.130 4.098 3.729 4.212 0.082 16 0 "[ . 1 . 2]" 1
231 1 7 LYS HA 1 10 ILE H 3.000 . 4.200 3.371 3.066 3.752 . 0 0 "[ . 1 . 2]" 1
232 1 9 ARG H 1 11 LYS H 3.360 . 4.920 4.124 3.946 4.308 . 0 0 "[ . 1 . 2]" 1
233 1 8 ALA HA 1 11 LYS H 2.910 . 4.020 3.291 3.063 3.570 . 0 0 "[ . 1 . 2]" 1
234 1 9 ARG HA 1 12 TRP H 3.200 . 4.600 3.530 3.230 3.809 . 0 0 "[ . 1 . 2]" 1
235 1 9 ARG HA 1 13 ALA H 3.700 . 5.600 4.731 4.439 5.313 . 0 0 "[ . 1 . 2]" 1
236 1 11 LYS HA 1 14 CYS H 3.210 . 4.630 3.558 3.132 4.122 . 0 0 "[ . 1 . 2]" 1
237 1 27 PRO HA 1 30 GLU H 3.030 . 4.270 3.536 3.388 3.672 . 0 0 "[ . 1 . 2]" 1
238 1 31 GLU H 1 33 PHE H 3.320 . 4.850 3.995 3.812 4.245 . 0 0 "[ . 1 . 2]" 1
239 1 30 GLU H 1 32 CYS H 3.540 . 5.280 4.254 4.091 4.423 . 0 0 "[ . 1 . 2]" 1
240 1 29 PHE HA 1 33 PHE H 2.850 . 3.910 3.603 3.371 3.808 . 0 0 "[ . 1 . 2]" 1
241 1 32 CYS H 1 34 ASP H 3.340 . 4.880 4.362 3.991 4.684 . 0 0 "[ . 1 . 2]" 1
242 1 38 GLU H 1 40 GLU H 3.720 . 5.640 4.373 4.098 4.601 . 0 0 "[ . 1 . 2]" 1
243 1 39 SER HA 1 41 GLN H 3.300 . 4.810 4.509 4.330 4.686 . 0 0 "[ . 1 . 2]" 1
244 1 39 SER H 1 41 GLN H 3.210 . 4.630 4.058 3.927 4.196 . 0 0 "[ . 1 . 2]" 1
245 1 38 GLU HA 1 41 GLN H 2.930 . 4.060 3.355 3.001 3.805 . 0 0 "[ . 1 . 2]" 1
246 1 41 GLN H 1 43 ASP H 3.610 . 5.420 4.309 4.076 4.435 . 0 0 "[ . 1 . 2]" 1
247 1 40 GLU H 1 42 ASP H 3.300 . 4.810 4.091 3.976 4.198 . 0 0 "[ . 1 . 2]" 1
248 1 39 SER HA 1 42 ASP H 2.870 . 3.950 3.598 3.231 3.924 . 0 0 "[ . 1 . 2]" 1
249 1 38 GLU HA 1 42 ASP H 3.160 . 4.520 3.904 3.667 4.201 . 0 0 "[ . 1 . 2]" 1
250 1 42 ASP H 1 44 PHE H 3.900 . 6.000 4.020 3.827 4.164 . 0 0 "[ . 1 . 2]" 1
251 1 40 GLU HA 1 43 ASP H 2.820 . 3.840 3.598 3.151 3.861 0.021 7 0 "[ . 1 . 2]" 1
252 1 41 GLN HA 1 44 PHE H 2.940 . 4.090 3.468 3.012 3.759 . 0 0 "[ . 1 . 2]" 1
253 1 42 ASP HA 1 45 VAL H 3.140 . 4.490 3.475 3.273 3.694 . 0 0 "[ . 1 . 2]" 1
254 1 41 GLN HA 1 45 VAL H 3.140 . 4.490 4.025 3.564 4.338 . 0 0 "[ . 1 . 2]" 1
255 1 46 ALA H 1 48 LEU H 3.230 . 4.670 4.197 4.035 4.360 . 0 0 "[ . 1 . 2]" 1
256 1 45 VAL H 1 47 LEU H 3.000 . 4.200 4.096 3.962 4.213 0.013 4 0 "[ . 1 . 2]" 1
257 1 44 PHE HA 1 47 LEU H 3.020 . 4.240 3.510 3.296 3.743 . 0 0 "[ . 1 . 2]" 1
258 1 54 ASP H 1 56 PHE H 3.110 . 4.420 4.222 3.946 4.407 . 0 0 "[ . 1 . 2]" 1
259 1 53 PRO HA 1 56 PHE H 3.180 . 4.560 3.665 3.175 4.075 . 0 0 "[ . 1 . 2]" 1
260 1 56 PHE H 1 58 TRP H 3.520 . 5.240 4.300 4.035 4.669 . 0 0 "[ . 1 . 2]" 1
261 1 53 PRO HA 1 57 ALA H 3.610 . 5.420 4.294 3.679 4.920 . 0 0 "[ . 1 . 2]" 1
262 1 55 LEU HA 1 58 TRP H 2.780 . 3.770 3.545 2.986 3.811 0.041 20 0 "[ . 1 . 2]" 1
263 1 58 TRP H 1 60 MET H 3.430 . 5.060 4.084 3.913 4.252 . 0 0 "[ . 1 . 2]" 1
264 1 56 PHE HA 1 59 VAL H 3.660 . 5.530 3.592 3.091 3.997 . 0 0 "[ . 1 . 2]" 1
265 1 56 PHE HA 1 60 MET H 3.430 . 5.060 4.422 3.732 4.769 . 0 0 "[ . 1 . 2]" 1
266 1 70 LEU H 1 72 ALA H 3.270 . 4.740 4.021 3.896 4.175 . 0 0 "[ . 1 . 2]" 1
267 1 68 LEU HA 1 71 ALA H 2.710 . 3.620 2.861 2.669 3.017 . 0 0 "[ . 1 . 2]" 1
268 1 68 LEU HA 1 72 ALA H 3.050 . 4.310 3.975 3.576 4.365 0.055 7 0 "[ . 1 . 2]" 1
269 1 70 LEU HA 1 73 MET H 2.890 . 3.980 3.718 3.286 4.010 0.030 17 0 "[ . 1 . 2]" 1
270 1 71 ALA HA 1 74 VAL H 3.120 . 4.450 3.288 3.010 3.492 . 0 0 "[ . 1 . 2]" 1
271 1 74 VAL H 1 76 LYS H 3.630 . 5.460 4.152 3.946 4.316 . 0 0 "[ . 1 . 2]" 1
272 1 73 MET HA 1 75 ASP H 3.540 . 5.280 4.288 4.041 4.522 . 0 0 "[ . 1 . 2]" 1
273 1 73 MET H 1 75 ASP H 3.140 . 4.490 4.047 3.830 4.219 . 0 0 "[ . 1 . 2]" 1
274 1 72 ALA HA 1 75 ASP H 2.930 . 4.060 3.507 3.146 3.733 . 0 0 "[ . 1 . 2]" 1
275 1 73 MET HA 1 76 LYS H 2.800 . 3.800 3.401 3.103 3.696 . 0 0 "[ . 1 . 2]" 1
276 1 74 VAL HA 1 77 ILE H 3.020 . 4.240 3.259 3.052 3.453 . 0 0 "[ . 1 . 2]" 1
277 1 75 ASP HA 1 78 VAL H 3.050 . 4.310 3.353 3.077 3.655 . 0 0 "[ . 1 . 2]" 1
278 1 77 ILE H 1 79 ALA H 3.290 . 4.780 4.078 3.929 4.288 . 0 0 "[ . 1 . 2]" 1
279 1 76 LYS HA 1 79 ALA H 2.870 . 3.950 3.454 3.130 3.956 0.006 6 0 "[ . 1 . 2]" 1
280 1 75 ASP HA 1 79 ALA H 2.980 . 4.160 4.028 3.760 4.210 0.050 13 0 "[ . 1 . 2]" 1
281 1 78 VAL HA 1 81 ASN H 2.730 . 3.660 3.295 3.133 3.636 . 0 0 "[ . 1 . 2]" 1
282 1 79 ALA HA 1 82 LEU H 3.180 . 4.560 3.534 3.342 3.919 . 0 0 "[ . 1 . 2]" 1
283 1 82 LEU H 1 84 LYS H 3.380 . 4.960 4.340 3.965 4.583 . 0 0 "[ . 1 . 2]" 1
284 1 83 SER HA 1 85 VAL H 2.940 . 4.090 4.132 4.096 4.186 0.096 1 0 "[ . 1 . 2]" 1
285 1 82 LEU HA 1 85 VAL H 2.940 . 4.090 3.403 3.088 3.719 . 0 0 "[ . 1 . 2]" 1
286 1 3 THR H 1 6 GLN H 3.230 . 4.670 3.384 2.875 4.037 . 0 0 "[ . 1 . 2]" 1
287 1 3 THR H 1 6 GLN HB2 2.710 . 3.620 2.642 1.794 3.369 0.006 20 0 "[ . 1 . 2]" 1
288 1 3 THR H 1 6 GLN HB3 2.960 . 4.130 3.535 1.939 4.187 0.057 11 0 "[ . 1 . 2]" 1
289 1 4 ALA H 1 7 LYS QB 4.340 . 6.880 4.998 4.448 6.064 . 0 0 "[ . 1 . 2]" 1
290 1 3 THR HB 1 5 GLU H 2.840 . 3.880 2.942 2.251 3.563 . 0 0 "[ . 1 . 2]" 1
291 1 18 MET HA 1 20 GLU H 3.390 . 4.990 3.756 3.279 4.187 . 0 0 "[ . 1 . 2]" 1
292 1 20 GLU H 1 22 ASP H 3.560 . 5.320 4.130 3.867 4.394 . 0 0 "[ . 1 . 2]" 1
293 1 22 ASP HA 1 26 MET H 3.520 . 5.240 3.864 2.995 5.249 0.009 16 0 "[ . 1 . 2]" 1
294 1 28 PHE HA 1 32 CYS H 2.910 . 4.020 3.933 3.602 4.117 0.097 3 0 "[ . 1 . 2]" 1
295 1 35 SER H 1 36 LEU QB 4.000 . 6.200 4.222 4.006 4.528 . 0 0 "[ . 1 . 2]" 1
296 1 34 ASP H 1 36 LEU H 3.230 . 4.670 4.025 3.778 4.279 . 0 0 "[ . 1 . 2]" 1
297 1 37 THR H 1 40 GLU HB2 2.890 . 3.980 2.547 1.974 2.882 . 0 0 "[ . 1 . 2]" 1
298 1 37 THR HB 1 39 SER H 2.850 . 3.910 2.951 2.621 3.316 . 0 0 "[ . 1 . 2]" 1
299 1 36 LEU QB 1 40 GLU H 3.780 . 5.770 4.456 4.051 5.003 . 0 0 "[ . 1 . 2]" 1
300 1 37 THR H 1 40 GLU H 3.160 . 4.520 3.568 3.170 3.939 . 0 0 "[ . 1 . 2]" 1
301 1 44 PHE HA 1 48 LEU H 3.470 . 5.140 4.563 4.270 5.091 . 0 0 "[ . 1 . 2]" 1
302 1 46 ALA HA 1 49 GLU H 3.090 . 4.380 3.711 3.410 4.283 . 0 0 "[ . 1 . 2]" 1
303 1 52 ASP HA 1 54 ASP H 3.480 . 5.170 3.955 3.144 4.390 . 0 0 "[ . 1 . 2]" 1
304 1 52 ASP HA 1 55 LEU H 3.180 . 4.560 3.373 2.933 3.832 . 0 0 "[ . 1 . 2]" 1
305 1 52 ASP HA 1 56 PHE H 3.380 . 4.960 4.218 3.569 5.207 0.247 9 0 "[ . 1 . 2]" 1
306 1 58 TRP H 1 61 GLY H 3.570 . 5.350 4.483 4.278 4.768 . 0 0 "[ . 1 . 2]" 1
307 1 60 MET H 1 62 HIS H 3.430 . 5.060 4.017 3.751 4.323 . 0 0 "[ . 1 . 2]" 1
308 1 59 VAL HA 1 61 GLY H 3.430 . 5.060 4.086 3.842 4.280 . 0 0 "[ . 1 . 2]" 1
309 1 57 ALA HA 1 61 GLY H 3.020 . 4.240 4.262 4.132 4.340 0.100 4 0 "[ . 1 . 2]" 1
310 1 57 ALA HA 1 62 HIS H 3.030 . 4.270 3.703 3.282 4.273 0.003 8 0 "[ . 1 . 2]" 1
311 1 67 ASN H 1 70 LEU HB2 3.110 . 4.420 4.230 3.315 4.588 0.168 1 0 "[ . 1 . 2]" 1
312 1 65 CYS HA 1 67 ASN H 3.160 . 4.520 4.296 3.799 4.609 0.089 8 0 "[ . 1 . 2]" 1
313 1 67 ASN HA 1 69 GLY H 3.140 . 4.490 3.659 3.299 4.057 . 0 0 "[ . 1 . 2]" 1
314 1 67 ASN QB 1 70 LEU H 3.670 . 5.550 3.378 2.583 4.010 . 0 0 "[ . 1 . 2]" 1
315 1 80 HIS HA 1 83 SER H 2.960 . 4.130 3.671 3.291 4.143 0.013 18 0 "[ . 1 . 2]" 1
316 1 81 ASN HA 1 84 LYS H 3.030 . 4.270 3.342 2.775 3.768 . 0 0 "[ . 1 . 2]" 1
317 1 84 LYS HA 1 87 LEU H 3.020 . 4.240 3.385 3.054 3.564 . 0 0 "[ . 1 . 2]" 1
318 1 83 SER HA 1 86 ARG H 3.230 . 4.670 3.343 3.216 3.642 . 0 0 "[ . 1 . 2]" 1
319 1 54 ASP HA 1 57 ALA H 3.070 . 4.340 3.400 3.110 3.848 . 0 0 "[ . 1 . 2]" 1
320 1 3 THR HB 1 6 GLN H 3.390 . 4.990 4.054 3.212 4.764 . 0 0 "[ . 1 . 2]" 1
321 1 1 MET QG 1 2 TYR H 4.340 . 6.880 3.836 1.904 4.750 . 0 0 "[ . 1 . 2]" 1
322 1 6 GLN QG 1 7 LYS H 4.250 . 6.700 4.185 3.532 4.670 . 0 0 "[ . 1 . 2]" 1
323 1 7 LYS HG2 1 8 ALA H 3.900 . 6.000 4.592 2.813 5.114 . 0 0 "[ . 1 . 2]" 1
324 1 7 LYS HG3 1 8 ALA H 3.900 . 6.000 4.402 2.367 5.265 . 0 0 "[ . 1 . 2]" 1
325 1 7 LYS QD 1 8 ALA H 4.270 . 6.740 4.743 2.712 5.190 . 0 0 "[ . 1 . 2]" 1
326 1 9 ARG HG2 1 10 ILE H 3.410 . 5.030 4.700 2.767 5.107 0.077 5 0 "[ . 1 . 2]" 1
327 1 9 ARG HG3 1 10 ILE H 3.410 . 5.030 4.280 2.692 4.994 . 0 0 "[ . 1 . 2]" 1
328 1 11 LYS QG 1 12 TRP H 4.340 . 6.880 3.662 2.154 4.592 . 0 0 "[ . 1 . 2]" 1
329 1 27 PRO HG2 1 28 PHE H 3.650 . 5.500 3.418 2.281 4.151 . 0 0 "[ . 1 . 2]" 1
330 1 27 PRO HG3 1 28 PHE H 3.650 . 5.500 4.286 3.802 4.575 . 0 0 "[ . 1 . 2]" 1
331 1 27 PRO HD2 1 28 PHE H 3.610 . 5.420 2.531 1.880 3.051 . 0 0 "[ . 1 . 2]" 1
332 1 27 PRO HD3 1 28 PHE H 3.610 . 5.420 3.827 3.402 4.098 . 0 0 "[ . 1 . 2]" 1
333 1 29 PHE QD 1 30 GLU H 4.480 . 7.160 3.578 3.293 4.019 . 0 0 "[ . 1 . 2]" 1
334 1 31 GLU HG2 1 32 CYS H 3.390 . 4.990 4.537 2.949 4.945 . 0 0 "[ . 1 . 2]" 1
335 1 31 GLU HG3 1 32 CYS H 3.390 . 4.990 4.204 1.786 4.963 0.004 14 0 "[ . 1 . 2]" 1
336 1 33 PHE QD 1 34 ASP H 4.300 . 6.800 3.491 2.881 3.970 . 0 0 "[ . 1 . 2]" 1
337 1 33 PHE QE 1 34 ASP H 4.960 . 8.130 5.510 5.098 5.905 . 0 0 "[ . 1 . 2]" 1
338 1 38 GLU HG2 1 39 SER H 3.360 . 4.920 4.522 4.007 5.005 0.085 15 0 "[ . 1 . 2]" 1
339 1 38 GLU HG3 1 39 SER H 3.360 . 4.920 4.680 4.222 4.984 0.064 3 0 "[ . 1 . 2]" 1
340 1 44 PHE QD 1 45 VAL H 4.960 . 8.130 3.554 3.215 4.039 . 0 0 "[ . 1 . 2]" 1
341 1 44 PHE QE 1 45 VAL H 4.960 . 8.130 5.602 5.229 5.947 . 0 0 "[ . 1 . 2]" 1
342 1 48 LEU HG 1 49 GLU H 3.900 . 6.000 4.497 4.231 4.750 . 0 0 "[ . 1 . 2]" 1
343 1 53 PRO HG2 1 54 ASP H 3.740 . 5.680 2.993 1.954 3.914 . 0 0 "[ . 1 . 2]" 1
344 1 53 PRO HG3 1 54 ASP H 3.740 . 5.680 3.998 3.565 4.430 . 0 0 "[ . 1 . 2]" 1
345 1 66 GLU HG2 1 67 ASN H 3.900 . 6.000 4.275 3.909 4.773 . 0 0 "[ . 1 . 2]" 1
346 1 66 GLU HG3 1 67 ASN H 3.900 . 6.000 4.991 4.792 5.211 . 0 0 "[ . 1 . 2]" 1
347 1 87 LEU HG 1 88 GLU H 3.320 . 4.850 4.106 3.264 4.896 0.046 8 0 "[ . 1 . 2]" 1
348 1 5 GLU H 1 5 GLU HG3 3.090 . 4.380 3.492 2.097 4.474 0.094 1 0 "[ . 1 . 2]" 1
349 1 6 GLN H 1 6 GLN QG 3.260 . 4.720 3.166 2.103 4.067 . 0 0 "[ . 1 . 2]" 1
350 1 7 LYS H 1 7 LYS HG2 3.090 . 4.380 3.197 2.192 4.492 0.112 2 0 "[ . 1 . 2]" 1
351 1 7 LYS H 1 7 LYS HG3 3.090 . 4.380 2.980 2.253 4.311 . 0 0 "[ . 1 . 2]" 1
352 1 7 LYS H 1 7 LYS QD 3.940 . 6.090 3.857 3.178 4.292 . 0 0 "[ . 1 . 2]" 1
353 1 9 ARG H 1 9 ARG HG2 3.180 . 4.560 3.052 1.905 3.763 . 0 0 "[ . 1 . 2]" 1
354 1 9 ARG H 1 9 ARG HG3 3.180 . 4.560 2.515 1.975 3.603 . 0 0 "[ . 1 . 2]" 1
355 1 10 ILE H 1 10 ILE HG12 2.930 . 4.060 3.395 3.268 3.549 . 0 0 "[ . 1 . 2]" 1
356 1 10 ILE H 1 10 ILE HG13 2.930 . 4.060 2.122 1.948 2.272 . 0 0 "[ . 1 . 2]" 1
357 1 11 LYS H 1 11 LYS QG 4.340 . 6.880 3.367 2.073 4.050 . 0 0 "[ . 1 . 2]" 1
358 1 18 MET H 1 18 MET HG2 3.450 . 5.100 3.884 2.157 5.153 0.053 12 0 "[ . 1 . 2]" 1
359 1 18 MET H 1 18 MET HG3 3.450 . 5.100 4.080 3.060 4.717 . 0 0 "[ . 1 . 2]" 1
360 1 31 GLU H 1 31 GLU HG2 2.940 . 4.090 2.926 1.903 3.600 . 0 0 "[ . 1 . 2]" 1
361 1 31 GLU H 1 31 GLU HG3 2.940 . 4.090 2.826 1.979 3.870 . 0 0 "[ . 1 . 2]" 1
362 1 36 LEU H 1 36 LEU HG 2.480 . 3.160 2.620 2.143 2.980 . 0 0 "[ . 1 . 2]" 1
363 1 38 GLU H 1 38 GLU HG3 2.940 . 4.090 3.063 2.132 3.648 . 0 0 "[ . 1 . 2]" 1
364 1 40 GLU H 1 40 GLU HG2 2.910 . 4.020 3.102 1.849 3.912 . 0 0 "[ . 1 . 2]" 1
365 1 40 GLU H 1 40 GLU HG3 2.910 . 4.020 2.748 2.040 3.565 . 0 0 "[ . 1 . 2]" 1
366 1 41 GLN H 1 41 GLN HG2 2.940 . 4.090 3.736 2.502 4.340 0.250 9 0 "[ . 1 . 2]" 1
367 1 41 GLN H 1 41 GLN HG3 2.940 . 4.090 3.107 2.126 4.275 0.185 14 0 "[ . 1 . 2]" 1
368 1 41 GLN H 1 41 GLN QE 4.330 . 6.860 4.327 3.319 5.838 . 0 0 "[ . 1 . 2]" 1
369 1 49 GLU H 1 49 GLU HG2 2.930 . 4.060 3.293 2.574 3.853 . 0 0 "[ . 1 . 2]" 1
370 1 60 MET H 1 60 MET HG2 3.030 . 4.270 2.849 2.012 4.452 0.182 7 0 "[ . 1 . 2]" 1
371 1 60 MET H 1 60 MET HG3 3.030 . 4.270 3.485 2.509 4.386 0.116 2 0 "[ . 1 . 2]" 1
372 1 66 GLU H 1 66 GLU HG2 3.180 . 4.560 2.312 1.911 3.127 . 0 0 "[ . 1 . 2]" 1
373 1 66 GLU H 1 66 GLU HG3 3.180 . 4.560 3.720 3.458 4.143 . 0 0 "[ . 1 . 2]" 1
374 1 73 MET H 1 73 MET HG2 2.910 . 4.020 3.102 1.945 4.081 0.061 12 0 "[ . 1 . 2]" 1
375 1 73 MET H 1 73 MET HG3 2.910 . 4.020 3.037 1.837 4.055 0.035 6 0 "[ . 1 . 2]" 1
376 1 76 LYS H 1 76 LYS HG2 2.670 . 3.550 2.942 1.854 3.556 0.006 2 0 "[ . 1 . 2]" 1
377 1 76 LYS H 1 76 LYS HG3 2.670 . 3.550 2.555 1.832 3.586 0.036 18 0 "[ . 1 . 2]" 1
378 1 76 LYS H 1 76 LYS QD 3.620 . 5.440 3.593 2.768 4.289 . 0 0 "[ . 1 . 2]" 1
379 1 77 ILE H 1 77 ILE HG12 2.930 . 4.060 3.259 2.077 3.456 . 0 0 "[ . 1 . 2]" 1
380 1 77 ILE H 1 77 ILE HG13 2.930 . 4.060 2.269 2.035 3.661 . 0 0 "[ . 1 . 2]" 1
381 1 84 LYS H 1 84 LYS HG2 2.960 . 4.130 2.876 1.926 4.216 0.086 1 0 "[ . 1 . 2]" 1
382 1 84 LYS H 1 84 LYS HG3 2.960 . 4.130 2.977 2.025 4.417 0.287 1 0 "[ . 1 . 2]" 1
383 1 84 LYS H 1 84 LYS QD 3.870 . 5.950 3.860 3.486 4.499 . 0 0 "[ . 1 . 2]" 1
384 1 86 ARG H 1 86 ARG HG2 3.020 . 4.240 2.717 2.127 4.420 0.180 19 0 "[ . 1 . 2]" 1
385 1 88 GLU H 1 88 GLU HG3 2.960 . 4.130 3.048 2.335 4.259 0.129 20 0 "[ . 1 . 2]" 1
386 1 67 ASN HA 1 67 ASN HD21 3.610 . 5.420 4.195 2.786 4.565 . 0 0 "[ . 1 . 2]" 1
387 1 67 ASN HA 1 67 ASN HD22 3.610 . 5.420 4.910 3.846 5.385 . 0 0 "[ . 1 . 2]" 1
388 1 6 GLN HB2 1 6 GLN HE21 3.770 . 5.750 3.706 1.835 4.546 . 0 0 "[ . 1 . 2]" 1
389 1 6 GLN HB2 1 6 GLN HE22 3.770 . 5.750 4.419 3.476 5.340 . 0 0 "[ . 1 . 2]" 1
390 1 58 TRP HE1 1 65 CYS H 3.790 . 5.780 2.784 2.047 3.785 . 0 0 "[ . 1 . 2]" 1
391 1 3 THR H 1 6 GLN QG 3.910 . 6.020 3.263 2.125 4.478 . 0 0 "[ . 1 . 2]" 1
392 1 11 LYS QG 1 14 CYS H 4.340 . 6.880 5.135 4.457 5.600 . 0 0 "[ . 1 . 2]" 1
393 1 26 MET H 1 27 PRO HD3 2.960 . 4.130 2.881 2.580 3.444 . 0 0 "[ . 1 . 2]" 1
394 1 26 MET H 1 27 PRO HD2 2.960 . 4.130 2.650 2.229 3.054 . 0 0 "[ . 1 . 2]" 1
395 1 29 PHE H 1 44 PHE HZ 3.900 . 6.000 5.316 4.254 6.034 0.034 1 0 "[ . 1 . 2]" 1
396 1 35 SER H 1 36 LEU HG 3.390 . 4.990 3.764 3.463 3.999 . 0 0 "[ . 1 . 2]" 1
397 1 37 THR H 1 40 GLU HG2 3.900 . 6.000 3.792 2.392 4.718 . 0 0 "[ . 1 . 2]" 1
398 1 37 THR H 1 40 GLU HG3 3.900 . 6.000 3.252 2.022 4.826 . 0 0 "[ . 1 . 2]" 1
399 1 36 LEU QB 1 41 GLN H 3.830 . 5.870 3.499 2.947 3.927 . 0 0 "[ . 1 . 2]" 1
400 1 36 LEU QB 1 41 GLN QE 4.770 . 7.740 4.136 2.705 6.206 . 0 0 "[ . 1 . 2]" 1
401 1 52 ASP H 1 53 PRO QD 3.750 . 5.700 2.753 2.170 3.488 . 0 0 "[ . 1 . 2]" 1
402 1 58 TRP HE1 1 65 CYS HA 3.110 . 4.420 3.629 2.888 4.432 0.012 10 0 "[ . 1 . 2]" 1
403 1 3 THR MG 1 4 ALA H 3.470 . 5.150 3.451 3.162 3.725 . 0 0 "[ . 1 . 2]" 1
404 1 4 ALA MB 1 5 GLU H 3.000 . 4.210 2.642 2.428 2.761 . 0 0 "[ . 1 . 2]" 1
405 1 10 ILE MG 1 11 LYS H 3.830 . 5.870 3.395 3.283 3.505 . 0 0 "[ . 1 . 2]" 1
406 1 21 LEU MD2 1 22 ASP H 4.170 . 6.550 4.536 3.723 4.727 . 0 0 "[ . 1 . 2]" 1
407 1 21 LEU MD1 1 22 ASP H 4.050 . 6.300 4.830 4.459 5.214 . 0 0 "[ . 1 . 2]" 1
408 1 24 VAL MG1 1 25 ILE H 4.410 . 7.020 3.751 2.312 4.287 . 0 0 "[ . 1 . 2]" 1
409 1 24 VAL MG2 1 25 ILE H 4.410 . 7.020 3.262 2.338 4.021 . 0 0 "[ . 1 . 2]" 1
410 1 25 ILE MG 1 26 MET H 4.050 . 6.300 3.259 2.931 3.697 . 0 0 "[ . 1 . 2]" 1
411 1 25 ILE MD 1 26 MET H 4.410 . 7.020 4.628 4.335 4.828 . 0 0 "[ . 1 . 2]" 1
412 1 36 LEU MD2 1 37 THR H 3.510 . 5.220 3.455 3.086 3.739 . 0 0 "[ . 1 . 2]" 1
413 1 37 THR MG 1 38 GLU H 3.330 . 4.860 3.239 1.795 3.718 0.005 16 0 "[ . 1 . 2]" 1
414 1 45 VAL MG1 1 46 ALA H 3.380 . 4.970 3.405 3.250 3.526 . 0 0 "[ . 1 . 2]" 1
415 1 45 VAL MG2 1 46 ALA H 3.720 . 5.650 3.866 3.748 3.941 . 0 0 "[ . 1 . 2]" 1
416 1 55 LEU MD2 1 56 PHE H 3.540 . 5.290 3.617 3.114 4.643 . 0 0 "[ . 1 . 2]" 1
417 1 55 LEU MD1 1 56 PHE H 4.080 . 6.370 4.470 4.183 4.705 . 0 0 "[ . 1 . 2]" 1
418 1 57 ALA MB 1 58 TRP H 3.070 . 4.350 2.651 2.390 2.936 . 0 0 "[ . 1 . 2]" 1
419 1 59 VAL MG1 1 60 MET H 4.260 . 6.730 3.493 3.257 3.723 . 0 0 "[ . 1 . 2]" 1
420 1 59 VAL MG2 1 60 MET H 3.540 . 5.290 3.855 3.730 3.969 . 0 0 "[ . 1 . 2]" 1
421 1 70 LEU MD2 1 71 ALA H 4.080 . 6.370 4.657 4.561 4.751 . 0 0 "[ . 1 . 2]" 1
422 1 71 ALA MB 1 72 ALA H 2.930 . 4.070 2.765 2.561 2.907 . 0 0 "[ . 1 . 2]" 1
423 1 72 ALA MB 1 73 MET H 3.020 . 4.250 2.513 2.351 2.786 . 0 0 "[ . 1 . 2]" 1
424 1 74 VAL MG1 1 75 ASP H 3.510 . 5.220 3.514 3.348 3.680 . 0 0 "[ . 1 . 2]" 1
425 1 74 VAL MG2 1 75 ASP H 3.650 . 5.510 3.794 3.700 3.941 . 0 0 "[ . 1 . 2]" 1
426 1 77 ILE MG 1 78 VAL H 3.830 . 5.870 3.367 3.183 3.530 . 0 0 "[ . 1 . 2]" 1
427 1 77 ILE MD 1 78 VAL H 3.810 . 5.830 4.491 4.399 4.604 . 0 0 "[ . 1 . 2]" 1
428 1 78 VAL MG1 1 79 ALA H 3.330 . 4.860 3.445 3.180 3.601 . 0 0 "[ . 1 . 2]" 1
429 1 78 VAL MG2 1 79 ALA H 3.560 . 5.330 3.841 3.750 3.928 . 0 0 "[ . 1 . 2]" 1
430 1 82 LEU MD1 1 83 SER H 4.410 . 7.020 4.691 4.536 4.817 . 0 0 "[ . 1 . 2]" 1
431 1 82 LEU MD2 1 83 SER H 4.410 . 7.020 4.175 3.478 4.707 . 0 0 "[ . 1 . 2]" 1
432 1 85 VAL MG2 1 86 ARG H 3.740 . 5.690 3.866 3.761 4.025 . 0 0 "[ . 1 . 2]" 1
433 1 3 THR H 1 3 THR MG 2.950 . 4.100 2.718 2.228 3.400 . 0 0 "[ . 1 . 2]" 1
434 1 8 ALA H 1 8 ALA MB 2.730 . 3.670 2.239 2.228 2.256 . 0 0 "[ . 1 . 2]" 1
435 1 21 LEU H 1 21 LEU MD2 3.890 . 5.980 3.443 2.223 4.294 . 0 0 "[ . 1 . 2]" 1
436 1 21 LEU H 1 21 LEU MD1 3.900 . 6.010 3.872 3.606 4.179 . 0 0 "[ . 1 . 2]" 1
437 1 25 ILE H 1 25 ILE MD 3.810 . 5.830 3.716 3.309 4.065 . 0 0 "[ . 1 . 2]" 1
438 1 36 LEU H 1 36 LEU MD2 3.330 . 4.860 3.484 3.069 3.772 . 0 0 "[ . 1 . 2]" 1
439 1 37 THR H 1 37 THR MG 3.000 . 4.210 2.882 2.126 4.010 . 0 0 "[ . 1 . 2]" 1
440 1 45 VAL H 1 45 VAL MG2 2.890 . 3.990 2.147 2.084 2.253 . 0 0 "[ . 1 . 2]" 1
441 1 46 ALA H 1 46 ALA MB 2.730 . 3.670 2.233 2.222 2.244 . 0 0 "[ . 1 . 2]" 1
442 1 48 LEU H 1 48 LEU MD1 3.580 . 5.360 3.628 3.576 3.698 . 0 0 "[ . 1 . 2]" 1
443 1 48 LEU H 1 48 LEU MD2 3.580 . 5.360 3.269 3.093 3.433 . 0 0 "[ . 1 . 2]" 1
444 1 55 LEU H 1 55 LEU MD1 4.330 . 6.870 4.063 3.581 4.164 . 0 0 "[ . 1 . 2]" 1
445 1 59 VAL H 1 59 VAL MG2 3.150 . 4.500 2.108 1.949 2.297 . 0 0 "[ . 1 . 2]" 1
446 1 68 LEU H 1 68 LEU MD2 3.620 . 5.440 3.355 3.174 3.456 . 0 0 "[ . 1 . 2]" 1
447 1 68 LEU H 1 68 LEU MD1 3.720 . 5.650 3.849 3.708 3.995 . 0 0 "[ . 1 . 2]" 1
448 1 72 ALA H 1 72 ALA MB 2.680 . 3.560 2.234 2.224 2.253 . 0 0 "[ . 1 . 2]" 1
449 1 74 VAL H 1 74 VAL MG2 3.000 . 4.210 2.066 1.898 2.223 . 0 0 "[ . 1 . 2]" 1
450 1 77 ILE H 1 77 ILE MD 3.380 . 4.970 3.539 3.185 3.613 . 0 0 "[ . 1 . 2]" 1
451 1 78 VAL H 1 78 VAL MG1 3.240 . 4.680 3.773 3.763 3.783 . 0 0 "[ . 1 . 2]" 1
452 1 78 VAL H 1 78 VAL MG2 3.000 . 4.210 2.060 1.940 2.186 . 0 0 "[ . 1 . 2]" 1
453 1 82 LEU H 1 82 LEU MD1 3.850 . 5.900 3.909 3.592 4.135 . 0 0 "[ . 1 . 2]" 1
454 1 82 LEU H 1 82 LEU MD2 3.700 . 5.610 3.995 3.279 4.322 . 0 0 "[ . 1 . 2]" 1
455 1 87 LEU H 1 87 LEU MD1 4.250 . 6.700 4.025 3.653 4.274 . 0 0 "[ . 1 . 2]" 1
456 1 87 LEU H 1 87 LEU MD2 4.250 . 6.700 4.013 3.358 4.318 . 0 0 "[ . 1 . 2]" 1
457 1 3 THR MG 1 5 GLU H 4.240 . 6.690 4.379 3.954 4.789 . 0 0 "[ . 1 . 2]" 1
458 1 4 ALA MB 1 6 GLN H 4.170 . 6.550 4.596 4.430 4.748 . 0 0 "[ . 1 . 2]" 1
459 1 3 THR MG 1 6 GLN H 4.410 . 7.020 4.606 3.917 5.203 . 0 0 "[ . 1 . 2]" 1
460 1 7 LYS H 1 8 ALA MB 3.900 . 6.010 4.355 4.215 4.536 . 0 0 "[ . 1 . 2]" 1
461 1 13 ALA H 1 48 LEU MD1 4.410 . 7.020 4.822 3.974 6.187 . 0 0 "[ . 1 . 2]" 1
462 1 10 ILE MG 1 13 ALA H 4.410 . 7.020 4.323 4.137 4.668 . 0 0 "[ . 1 . 2]" 1
463 1 14 CYS H 1 48 LEU MD1 4.160 . 6.520 4.378 2.982 6.557 0.037 9 0 "[ . 1 . 2]" 1
464 1 14 CYS H 1 48 LEU MD2 4.410 . 7.020 4.994 3.721 6.777 . 0 0 "[ . 1 . 2]" 1
465 1 28 PHE H 1 77 ILE MG 4.230 . 6.660 5.679 4.868 6.492 . 0 0 "[ . 1 . 2]" 1
466 1 25 ILE MG 1 29 PHE H 4.410 . 7.020 3.885 3.311 4.341 . 0 0 "[ . 1 . 2]" 1
467 1 35 SER H 1 36 LEU MD2 4.320 . 6.840 4.707 4.277 4.924 . 0 0 "[ . 1 . 2]" 1
468 1 35 SER H 1 36 LEU MD1 4.410 . 7.020 4.879 4.685 5.169 . 0 0 "[ . 1 . 2]" 1
469 1 37 THR MG 1 39 SER H 4.080 . 6.370 4.259 2.726 4.708 . 0 0 "[ . 1 . 2]" 1
470 1 37 THR MG 1 40 GLU H 4.350 . 6.910 4.549 3.898 5.331 . 0 0 "[ . 1 . 2]" 1
471 1 36 LEU MD1 1 41 GLN H 4.060 . 6.330 4.345 3.762 5.204 . 0 0 "[ . 1 . 2]" 1
472 1 43 ASP H 1 46 ALA MB 4.410 . 7.020 4.651 4.433 4.891 . 0 0 "[ . 1 . 2]" 1
473 1 43 ASP H 1 70 LEU MD2 4.410 . 7.020 5.022 4.460 5.611 . 0 0 "[ . 1 . 2]" 1
474 1 47 LEU H 1 55 LEU MD1 4.410 . 7.020 6.042 5.022 7.042 0.022 10 0 "[ . 1 . 2]" 1
475 1 48 LEU H 1 55 LEU MD1 4.410 . 7.020 5.449 4.383 6.516 . 0 0 "[ . 1 . 2]" 1
476 1 21 LEU MD1 1 56 PHE H 3.600 . 5.400 5.152 4.261 5.529 0.129 5 0 "[ . 1 . 2]" 1
477 1 58 TRP H 1 59 VAL MG2 4.240 . 6.690 3.923 3.624 4.061 . 0 0 "[ . 1 . 2]" 1
478 1 58 TRP H 1 74 VAL MG1 4.120 . 6.440 4.042 3.062 4.823 . 0 0 "[ . 1 . 2]" 1
479 1 57 ALA MB 1 58 TRP HE1 3.870 . 5.940 4.346 3.697 4.897 . 0 0 "[ . 1 . 2]" 1
480 1 57 ALA MB 1 62 HIS H 3.850 . 5.900 3.526 3.359 3.905 . 0 0 "[ . 1 . 2]" 1
481 1 57 ALA MB 1 63 GLY H 3.690 . 5.580 3.494 2.729 4.964 . 0 0 "[ . 1 . 2]" 1
482 1 65 CYS H 1 71 ALA MB 3.920 . 6.050 4.651 3.673 5.773 . 0 0 "[ . 1 . 2]" 1
483 1 67 ASN H 1 70 LEU MD1 3.900 . 6.010 3.834 2.440 4.954 . 0 0 "[ . 1 . 2]" 1
484 1 67 ASN H 1 71 ALA MB 4.150 . 6.510 5.041 4.439 5.803 . 0 0 "[ . 1 . 2]" 1
485 1 67 ASN HD21 1 70 LEU MD1 3.780 . 5.760 3.540 2.179 5.453 . 0 0 "[ . 1 . 2]" 1
486 1 67 ASN HD22 1 70 LEU MD1 3.780 . 5.760 3.263 1.781 5.767 0.019 15 0 "[ . 1 . 2]" 1
487 1 69 GLY H 1 71 ALA MB 4.390 . 6.980 4.544 4.301 4.817 . 0 0 "[ . 1 . 2]" 1
488 1 73 MET H 1 74 VAL MG2 4.190 . 6.590 3.901 3.793 4.203 . 0 0 "[ . 1 . 2]" 1
489 1 70 LEU MD2 1 73 MET H 4.080 . 6.370 5.043 4.595 5.589 . 0 0 "[ . 1 . 2]" 1
490 1 71 ALA MB 1 73 MET H 4.410 . 7.020 4.701 4.387 4.991 . 0 0 "[ . 1 . 2]" 1
491 1 59 VAL MG2 1 74 VAL H 4.410 . 7.020 6.605 5.908 7.099 0.079 9 0 "[ . 1 . 2]" 1
492 1 59 VAL MG2 1 75 ASP H 4.410 . 7.020 6.504 5.959 7.051 0.031 16 0 "[ . 1 . 2]" 1
493 1 74 VAL MG1 1 77 ILE H 3.760 . 5.720 4.361 4.222 4.584 . 0 0 "[ . 1 . 2]" 1
494 1 74 VAL MG1 1 78 VAL H 3.960 . 6.120 3.654 3.442 3.914 . 0 0 "[ . 1 . 2]" 1
495 1 78 VAL H 1 79 ALA MB 4.320 . 6.840 4.378 4.316 4.485 . 0 0 "[ . 1 . 2]" 1
496 1 79 ALA H 1 82 LEU MD1 4.120 . 6.440 5.309 4.092 6.500 0.060 4 0 "[ . 1 . 2]" 1
497 1 77 ILE MG 1 79 ALA H 4.410 . 7.020 5.003 4.854 5.195 . 0 0 "[ . 1 . 2]" 1
498 1 78 VAL MG1 1 81 ASN HD21 3.960 . 6.120 3.992 3.009 6.069 . 0 0 "[ . 1 . 2]" 1
499 1 81 ASN HD21 1 85 VAL MG2 4.980 . 8.170 3.841 2.514 5.726 . 0 0 "[ . 1 . 2]" 1
500 1 78 VAL MG1 1 81 ASN HD22 3.960 . 6.120 4.939 2.518 6.113 . 0 0 "[ . 1 . 2]" 1
501 1 5 GLU H 1 5 GLU HB3 2.660 . 3.520 3.090 2.449 3.585 0.065 6 0 "[ . 1 . 2]" 1
502 1 10 ILE H 1 10 ILE HB 2.530 . 3.260 2.526 2.456 2.609 . 0 0 "[ . 1 . 2]" 1
503 1 18 MET H 1 18 MET HB2 2.840 . 3.880 3.223 2.393 3.948 0.068 20 0 "[ . 1 . 2]" 1
504 1 18 MET H 1 18 MET HB3 2.840 . 3.880 3.071 2.518 3.825 . 0 0 "[ . 1 . 2]" 1
505 1 19 LEU H 1 19 LEU HB2 2.640 . 3.480 2.398 2.075 2.539 . 0 0 "[ . 1 . 2]" 1
506 1 19 LEU H 1 19 LEU HB3 2.640 . 3.480 3.535 3.045 3.577 0.097 2 0 "[ . 1 . 2]" 1
507 1 23 VAL HA 1 23 VAL HB 2.400 . 3.010 2.801 2.445 3.026 0.016 16 0 "[ . 1 . 2]" 1
508 1 25 ILE H 1 25 ILE HB 2.640 . 3.480 2.511 2.437 2.631 . 0 0 "[ . 1 . 2]" 1
509 1 26 MET H 1 26 MET HB2 2.760 . 3.730 2.474 2.339 2.581 . 0 0 "[ . 1 . 2]" 1
510 1 33 PHE HA 1 36 LEU H 3.030 . 4.270 3.286 2.784 3.814 . 0 0 "[ . 1 . 2]" 1
511 1 38 GLU HA 1 38 GLU HB3 2.350 . 2.900 2.473 2.415 2.545 . 0 0 "[ . 1 . 2]" 1
512 1 39 SER H 1 39 SER HB2 2.620 . 3.440 2.850 2.405 3.542 0.102 16 0 "[ . 1 . 2]" 1
513 1 51 ASP H 1 51 ASP HA 2.310 . 2.830 2.798 2.261 2.939 0.109 9 0 "[ . 1 . 2]" 1
514 1 64 ARG H 1 64 ARG HB2 2.820 . 3.840 3.206 2.514 3.914 0.074 3 0 "[ . 1 . 2]" 1
515 1 65 CYS H 1 65 CYS HB2 2.780 . 3.770 3.134 2.408 3.869 0.099 12 0 "[ . 1 . 2]" 1
516 1 66 GLU HA 1 66 GLU HB3 2.350 . 2.900 2.467 2.383 2.678 . 0 0 "[ . 1 . 2]" 1
517 1 66 GLU H 1 66 GLU HB2 2.490 . 3.190 2.492 2.205 2.665 . 0 0 "[ . 1 . 2]" 1
518 1 66 GLU HA 1 66 GLU HB2 2.400 . 3.010 3.016 2.964 3.025 0.015 9 0 "[ . 1 . 2]" 1
519 1 68 LEU H 1 68 LEU HB3 2.730 . 3.660 3.585 3.566 3.604 . 0 0 "[ . 1 . 2]" 1
520 1 70 LEU HA 1 70 LEU HB2 2.400 . 3.010 3.013 3.003 3.022 0.012 4 0 "[ . 1 . 2]" 1
521 1 76 LYS H 1 76 LYS HB3 2.730 . 3.660 3.592 3.575 3.614 . 0 0 "[ . 1 . 2]" 1
522 1 82 LEU H 1 82 LEU HB2 2.570 . 3.340 2.306 2.107 2.426 . 0 0 "[ . 1 . 2]" 1
523 1 82 LEU H 1 82 LEU HB3 2.570 . 3.340 2.963 2.626 3.538 0.198 5 0 "[ . 1 . 2]" 1
524 1 85 VAL H 1 85 VAL HB 2.390 . 2.980 2.493 2.390 2.568 . 0 0 "[ . 1 . 2]" 1
525 1 86 ARG H 1 86 ARG HB2 2.760 . 3.730 3.477 2.481 3.641 . 0 0 "[ . 1 . 2]" 1
526 1 87 LEU H 1 87 LEU HB2 2.640 . 3.480 2.471 2.207 2.816 . 0 0 "[ . 1 . 2]" 1
527 1 87 LEU H 1 87 LEU HB3 2.640 . 3.480 2.843 2.334 3.578 0.098 10 0 "[ . 1 . 2]" 1
528 1 6 GLN HB2 1 7 LYS H 2.910 . 4.020 3.146 2.714 3.976 . 0 0 "[ . 1 . 2]" 1
529 1 6 GLN HB3 1 7 LYS H 2.980 . 4.160 3.350 2.500 3.839 . 0 0 "[ . 1 . 2]" 1
530 1 12 TRP HA 1 13 ALA H 2.660 . 3.520 3.475 3.431 3.530 0.010 15 0 "[ . 1 . 2]" 1
531 1 12 TRP HB2 1 13 ALA H 2.840 . 3.880 3.062 2.806 3.269 . 0 0 "[ . 1 . 2]" 1
532 1 12 TRP HB3 1 13 ALA H 2.820 . 3.840 3.715 3.469 3.863 0.023 5 0 "[ . 1 . 2]" 1
533 1 18 MET HA 1 19 LEU H 2.510 . 3.230 2.226 2.129 2.646 . 0 0 "[ . 1 . 2]" 1
534 1 19 LEU HA 1 22 ASP H 3.030 . 4.270 3.334 2.763 3.883 . 0 0 "[ . 1 . 2]" 1
535 1 19 LEU HB3 1 20 GLU H 2.800 . 3.800 3.718 2.369 3.885 0.085 17 0 "[ . 1 . 2]" 1
536 1 21 LEU HB3 1 22 ASP H 3.200 . 4.600 3.647 2.710 4.163 . 0 0 "[ . 1 . 2]" 1
537 1 23 VAL HB 1 24 VAL H 2.960 . 4.130 3.436 2.775 4.178 0.048 6 0 "[ . 1 . 2]" 1
538 1 36 LEU HA 1 37 THR H 2.550 . 3.300 2.272 2.117 2.625 . 0 0 "[ . 1 . 2]" 1
539 1 37 THR HA 1 38 GLU H 2.370 . 2.940 2.515 2.382 2.722 . 0 0 "[ . 1 . 2]" 1
540 1 49 GLU HB2 1 50 SER H 3.050 . 4.310 3.200 2.567 3.412 . 0 0 "[ . 1 . 2]" 1
541 1 50 SER HA 1 51 ASP H 2.390 . 2.980 2.550 2.059 2.943 . 0 0 "[ . 1 . 2]" 1
542 1 50 SER HB3 1 51 ASP H 2.750 . 3.700 2.565 1.803 3.594 . 0 0 "[ . 1 . 2]" 1
543 1 54 ASP HB2 1 55 LEU H 3.470 . 5.140 3.110 2.308 3.918 . 0 0 "[ . 1 . 2]" 1
544 1 65 CYS HA 1 66 GLU H 2.370 . 2.940 2.338 2.129 2.616 . 0 0 "[ . 1 . 2]" 1
545 1 70 LEU HB3 1 71 ALA H 3.660 . 5.530 3.511 3.215 3.754 . 0 0 "[ . 1 . 2]" 1
546 1 82 LEU HA 1 83 SER H 2.670 . 3.550 3.516 3.484 3.558 0.008 10 0 "[ . 1 . 2]" 1
547 1 85 VAL HB 1 86 ARG H 2.570 . 3.340 2.650 2.336 2.880 . 0 0 "[ . 1 . 2]" 1
548 1 86 ARG HA 1 87 LEU H 2.660 . 3.520 3.430 3.318 3.554 0.034 19 0 "[ . 1 . 2]" 1
549 1 86 ARG HB2 1 87 LEU H 3.120 . 4.450 4.132 3.927 4.326 . 0 0 "[ . 1 . 2]" 1
550 1 4 ALA HA 1 7 LYS QB 3.110 . 4.430 2.664 2.024 4.131 . 0 0 "[ . 1 . 2]" 1
551 1 6 GLN HA 1 9 ARG H 2.750 . 3.700 3.313 3.037 3.743 0.043 5 0 "[ . 1 . 2]" 1
552 1 6 GLN HA 1 9 ARG QB 3.290 . 4.790 3.136 2.441 4.163 . 0 0 "[ . 1 . 2]" 1
553 1 7 LYS HA 1 10 ILE HB 2.640 . 3.480 2.836 2.387 3.472 . 0 0 "[ . 1 . 2]" 1
554 1 8 ALA HA 1 11 LYS HB2 3.090 . 4.380 3.222 2.507 4.485 0.105 10 0 "[ . 1 . 2]" 1
555 1 8 ALA HA 1 11 LYS HB3 3.090 . 4.380 3.148 2.067 4.420 0.040 6 0 "[ . 1 . 2]" 1
556 1 8 ALA HA 1 12 TRP H 3.110 . 4.420 4.198 3.767 4.512 0.092 12 0 "[ . 1 . 2]" 1
557 1 10 ILE HA 1 13 ALA H 3.140 . 4.490 3.408 3.128 3.847 . 0 0 "[ . 1 . 2]" 1
558 1 27 PRO HA 1 30 GLU HB3 3.180 . 4.560 4.590 4.310 4.654 0.094 9 0 "[ . 1 . 2]" 1
559 1 27 PRO HA 1 30 GLU HB2 2.850 . 3.910 3.174 2.873 3.528 . 0 0 "[ . 1 . 2]" 1
560 1 28 PHE HA 1 31 GLU QB 3.620 . 5.440 2.962 2.345 4.439 . 0 0 "[ . 1 . 2]" 1
561 1 29 PHE HA 1 33 PHE HB2 3.430 . 5.060 4.244 3.717 4.642 . 0 0 "[ . 1 . 2]" 1
562 1 29 PHE HA 1 33 PHE HB3 3.430 . 5.060 5.102 4.852 5.171 0.111 3 0 "[ . 1 . 2]" 1
563 1 30 GLU HA 1 33 PHE HB2 3.250 . 4.700 3.789 2.993 4.497 . 0 0 "[ . 1 . 2]" 1
564 1 30 GLU HA 1 33 PHE HB3 3.250 . 4.700 3.189 2.352 3.899 . 0 0 "[ . 1 . 2]" 1
565 1 38 GLU HA 1 40 GLU H 3.410 . 5.030 4.497 4.101 4.743 . 0 0 "[ . 1 . 2]" 1
566 1 38 GLU HA 1 41 GLN HB2 2.640 . 3.480 2.391 1.945 3.359 . 0 0 "[ . 1 . 2]" 1
567 1 39 SER HA 1 42 ASP HB2 3.070 . 4.340 3.667 3.068 4.218 . 0 0 "[ . 1 . 2]" 1
568 1 39 SER HA 1 42 ASP HB3 3.070 . 4.340 3.104 2.655 3.501 . 0 0 "[ . 1 . 2]" 1
569 1 39 SER HA 1 43 ASP H 3.250 . 4.700 4.447 4.068 4.792 0.092 17 0 "[ . 1 . 2]" 1
570 1 40 GLU HA 1 42 ASP H 3.070 . 4.340 4.331 4.074 4.448 0.108 7 0 "[ . 1 . 2]" 1
571 1 40 GLU HA 1 43 ASP HB2 3.200 . 4.600 3.255 2.252 4.168 . 0 0 "[ . 1 . 2]" 1
572 1 40 GLU HA 1 43 ASP HB3 3.200 . 4.600 3.839 2.820 4.665 0.065 4 0 "[ . 1 . 2]" 1
573 1 41 GLN HA 1 44 PHE HB3 2.980 . 4.160 2.642 2.054 3.243 . 0 0 "[ . 1 . 2]" 1
574 1 42 ASP HA 1 45 VAL HB 2.850 . 3.910 2.873 2.513 3.319 . 0 0 "[ . 1 . 2]" 1
575 1 42 ASP HA 1 46 ALA H 2.890 . 3.980 4.002 3.748 4.091 0.111 2 0 "[ . 1 . 2]" 1
576 1 43 ASP HA 1 46 ALA H 2.840 . 3.880 3.554 3.247 3.809 . 0 0 "[ . 1 . 2]" 1
577 1 44 PHE HA 1 47 LEU HB3 3.050 . 4.310 3.579 2.589 4.411 0.101 19 0 "[ . 1 . 2]" 1
578 1 44 PHE HA 1 47 LEU HB2 2.730 . 3.660 3.201 2.745 3.689 0.029 9 0 "[ . 1 . 2]" 1
579 1 45 VAL HA 1 48 LEU H 3.050 . 4.310 3.286 3.056 3.526 . 0 0 "[ . 1 . 2]" 1
580 1 45 VAL HA 1 48 LEU HB2 3.380 . 4.960 2.912 2.467 3.365 . 0 0 "[ . 1 . 2]" 1
581 1 46 ALA HA 1 48 LEU H 3.200 . 4.600 4.339 4.215 4.619 0.019 4 0 "[ . 1 . 2]" 1
582 1 53 PRO HA 1 56 PHE HB3 2.840 . 3.880 3.114 2.347 3.676 . 0 0 "[ . 1 . 2]" 1
583 1 53 PRO HA 1 56 PHE HB2 2.760 . 3.730 3.657 2.910 3.829 0.099 15 0 "[ . 1 . 2]" 1
584 1 56 PHE HA 1 59 VAL HB 3.160 . 4.520 3.020 2.621 3.336 . 0 0 "[ . 1 . 2]" 1
585 1 57 ALA HA 1 60 MET H 2.980 . 4.160 3.527 3.055 4.026 . 0 0 "[ . 1 . 2]" 1
586 1 68 LEU HA 1 70 LEU H 3.110 . 4.420 4.128 3.804 4.333 . 0 0 "[ . 1 . 2]" 1
587 1 71 ALA HA 1 73 MET H 3.450 . 5.100 4.337 3.927 4.656 . 0 0 "[ . 1 . 2]" 1
588 1 71 ALA HA 1 74 VAL HB 2.620 . 3.440 2.559 2.097 3.229 . 0 0 "[ . 1 . 2]" 1
589 1 71 ALA HA 1 75 ASP H 3.160 . 4.520 3.984 3.722 4.414 . 0 0 "[ . 1 . 2]" 1
590 1 72 ALA HA 1 75 ASP HB2 2.820 . 3.840 3.348 2.711 3.855 0.015 18 0 "[ . 1 . 2]" 1
591 1 72 ALA HA 1 75 ASP HB3 2.820 . 3.840 2.875 2.225 3.503 . 0 0 "[ . 1 . 2]" 1
592 1 73 MET HA 1 76 LYS HB3 3.390 . 4.990 4.640 3.971 5.037 0.047 3 0 "[ . 1 . 2]" 1
593 1 73 MET HA 1 76 LYS HB2 2.870 . 3.950 3.199 2.460 3.747 . 0 0 "[ . 1 . 2]" 1
594 1 74 VAL HA 1 77 ILE HB 2.840 . 3.880 2.763 2.518 3.093 . 0 0 "[ . 1 . 2]" 1
595 1 75 ASP HA 1 78 VAL HB 3.050 . 4.310 2.645 2.309 2.930 . 0 0 "[ . 1 . 2]" 1
596 1 76 LYS HA 1 80 HIS H 3.360 . 4.920 4.364 3.983 4.924 0.004 14 0 "[ . 1 . 2]" 1
597 1 77 ILE HA 1 80 HIS HB3 3.410 . 5.030 3.449 2.918 5.020 . 0 0 "[ . 1 . 2]" 1
598 1 77 ILE HA 1 80 HIS HB2 3.030 . 4.270 3.409 2.377 4.149 . 0 0 "[ . 1 . 2]" 1
599 1 78 VAL HA 1 81 ASN QB 3.580 . 5.370 2.534 2.168 3.832 . 0 0 "[ . 1 . 2]" 1
600 1 79 ALA HA 1 82 LEU HB2 3.160 . 4.520 2.942 2.372 3.415 . 0 0 "[ . 1 . 2]" 1
601 1 79 ALA HA 1 82 LEU HB3 3.160 . 4.520 3.511 2.626 4.545 0.025 6 0 "[ . 1 . 2]" 1
602 1 80 HIS HA 1 83 SER QB 3.370 . 4.940 3.456 2.413 4.730 . 0 0 "[ . 1 . 2]" 1
603 1 81 ASN HA 1 85 VAL H 3.070 . 4.340 4.337 4.191 4.429 0.089 8 0 "[ . 1 . 2]" 1
604 1 82 LEU HA 1 85 VAL HB 2.580 . 3.370 2.597 2.177 2.976 . 0 0 "[ . 1 . 2]" 1
605 1 83 SER HA 1 86 ARG HB3 2.760 . 3.730 3.540 2.620 3.820 0.090 3 0 "[ . 1 . 2]" 1
606 1 83 SER HA 1 86 ARG HB2 3.200 . 4.600 4.561 3.863 4.715 0.115 8 0 "[ . 1 . 2]" 1
607 1 38 GLU HA 1 41 GLN HB3 2.640 . 3.480 3.289 1.955 3.667 0.187 20 0 "[ . 1 . 2]" 1
608 1 32 CYS HA 1 35 SER QB 3.580 . 5.370 3.211 2.259 4.487 . 0 0 "[ . 1 . 2]" 1
609 1 49 GLU HA 1 50 SER HA 3.230 . 4.670 4.592 4.465 4.733 0.063 12 0 "[ . 1 . 2]" 1
610 1 52 ASP HA 1 55 LEU HB2 3.230 . 4.670 3.234 2.536 4.011 . 0 0 "[ . 1 . 2]" 1
611 1 52 ASP HA 1 55 LEU HB3 3.230 . 4.670 3.559 2.342 4.878 0.208 10 0 "[ . 1 . 2]" 1
612 1 77 ILE HA 1 80 HIS H 2.940 . 4.090 3.521 3.286 3.704 . 0 0 "[ . 1 . 2]" 1
613 1 84 LYS HA 1 87 LEU HB2 3.000 . 4.200 2.970 2.369 3.697 . 0 0 "[ . 1 . 2]" 1
614 1 84 LYS HA 1 87 LEU HB3 3.000 . 4.200 3.081 2.140 4.222 0.022 9 0 "[ . 1 . 2]" 1
615 1 19 LEU HA 1 22 ASP HB2 2.780 . 3.770 3.200 2.247 3.776 0.006 20 0 "[ . 1 . 2]" 1
616 1 19 LEU HA 1 22 ASP HB3 2.780 . 3.770 3.096 1.814 3.853 0.083 3 0 "[ . 1 . 2]" 1
617 1 5 GLU HA 1 5 GLU HG3 2.620 . 3.440 2.955 2.465 3.539 0.099 5 0 "[ . 1 . 2]" 1
618 1 5 GLU HB3 1 5 GLU HG3 2.390 . 2.980 2.790 2.392 3.003 0.023 8 0 "[ . 1 . 2]" 1
619 1 5 GLU H 1 5 GLU HG2 3.090 . 4.380 3.969 3.298 4.465 0.085 20 0 "[ . 1 . 2]" 1
620 1 5 GLU HA 1 5 GLU HG2 2.620 . 3.440 2.824 2.259 3.581 0.141 14 0 "[ . 1 . 2]" 1
621 1 5 GLU HB2 1 5 GLU HG2 2.390 . 2.980 2.792 2.385 3.005 0.025 3 0 "[ . 1 . 2]" 1
622 1 5 GLU HB3 1 5 GLU HG2 2.390 . 2.980 2.558 2.239 2.978 . 0 0 "[ . 1 . 2]" 1
623 1 5 GLU HB2 1 5 GLU HG3 2.390 . 2.980 2.507 2.210 3.004 0.024 13 0 "[ . 1 . 2]" 1
624 1 7 LYS HA 1 7 LYS HG2 2.980 . 4.160 2.856 2.322 4.235 0.075 17 0 "[ . 1 . 2]" 1
625 1 7 LYS HA 1 7 LYS QD 4.340 . 6.880 3.570 1.997 4.553 . 0 0 "[ . 1 . 2]" 1
626 1 7 LYS HA 1 7 LYS HG3 2.980 . 4.160 3.261 2.426 3.766 . 0 0 "[ . 1 . 2]" 1
627 1 7 LYS H 1 7 LYS QE 4.340 . 6.880 4.706 3.783 5.817 . 0 0 "[ . 1 . 2]" 1
628 1 9 ARG HA 1 9 ARG HG2 2.780 . 3.770 2.745 2.362 3.793 0.023 2 0 "[ . 1 . 2]" 1
629 1 9 ARG HA 1 9 ARG HG3 2.780 . 3.770 3.286 2.892 3.847 0.077 14 0 "[ . 1 . 2]" 1
630 1 9 ARG HA 1 9 ARG QD 4.190 . 6.590 3.728 2.076 4.527 . 0 0 "[ . 1 . 2]" 1
631 1 10 ILE HA 1 10 ILE HG12 2.960 . 4.130 2.549 2.485 2.643 . 0 0 "[ . 1 . 2]" 1
632 1 10 ILE HA 1 10 ILE HG13 2.960 . 4.130 3.014 2.938 3.100 . 0 0 "[ . 1 . 2]" 1
633 1 18 MET HA 1 18 MET HG2 2.850 . 3.910 3.661 3.085 3.831 . 0 0 "[ . 1 . 2]" 1
634 1 18 MET HA 1 18 MET HG3 2.850 . 3.910 3.240 2.465 3.825 . 0 0 "[ . 1 . 2]" 1
635 1 19 LEU H 1 19 LEU HG 2.820 . 3.840 2.505 2.108 3.920 0.080 9 0 "[ . 1 . 2]" 1
636 1 19 LEU HA 1 19 LEU HG 2.600 . 3.410 3.028 2.378 3.198 . 0 0 "[ . 1 . 2]" 1
637 1 20 GLU HA 1 20 GLU HG2 2.690 . 3.590 2.935 2.392 3.680 0.090 10 0 "[ . 1 . 2]" 1
638 1 20 GLU H 1 20 GLU HG2 3.160 . 4.520 3.435 2.436 4.519 . 0 0 "[ . 1 . 2]" 1
639 1 20 GLU H 1 20 GLU HG3 3.160 . 4.520 3.044 2.012 4.404 . 0 0 "[ . 1 . 2]" 1
640 1 20 GLU HA 1 20 GLU HG3 2.690 . 3.590 2.979 2.392 3.686 0.096 12 0 "[ . 1 . 2]" 1
641 1 25 ILE H 1 25 ILE HG12 3.000 . 4.200 3.423 2.306 4.038 . 0 0 "[ . 1 . 2]" 1
642 1 25 ILE H 1 25 ILE HG13 3.000 . 4.200 2.730 2.041 4.228 0.028 17 0 "[ . 1 . 2]" 1
643 1 26 MET H 1 26 MET QG 3.690 . 5.590 3.592 2.281 4.069 . 0 0 "[ . 1 . 2]" 1
644 1 28 PHE QD 1 29 PHE HA 4.960 . 8.130 4.854 3.233 5.948 . 0 0 "[ . 1 . 2]" 1
645 1 30 GLU HA 1 30 GLU HG2 2.530 . 3.260 2.602 2.334 3.060 . 0 0 "[ . 1 . 2]" 1
646 1 30 GLU HB2 1 30 GLU HG3 2.300 . 2.800 2.319 2.235 2.384 . 0 0 "[ . 1 . 2]" 1
647 1 30 GLU H 1 30 GLU HG2 2.730 . 3.660 2.584 1.845 3.055 . 0 0 "[ . 1 . 2]" 1
648 1 30 GLU HB3 1 30 GLU HG2 2.220 . 2.650 2.701 2.480 2.961 0.311 12 0 "[ . 1 . 2]" 1
649 1 30 GLU H 1 30 GLU HG3 2.570 . 3.340 2.594 1.946 3.448 0.108 10 0 "[ . 1 . 2]" 1
650 1 30 GLU HA 1 30 GLU HG3 2.850 . 3.910 3.499 3.219 3.826 . 0 0 "[ . 1 . 2]" 1
651 1 31 GLU HA 1 31 GLU HG3 2.800 . 3.800 3.428 3.085 3.790 . 0 0 "[ . 1 . 2]" 1
652 1 31 GLU HA 1 31 GLU HG2 2.800 . 3.800 2.797 2.475 3.900 0.100 14 0 "[ . 1 . 2]" 1
653 1 36 LEU HA 1 36 LEU HG 2.840 . 3.880 3.141 2.982 3.357 . 0 0 "[ . 1 . 2]" 1
654 1 38 GLU HA 1 38 GLU HG2 2.800 . 3.800 2.927 2.326 3.609 . 0 0 "[ . 1 . 2]" 1
655 1 38 GLU HA 1 38 GLU HG3 2.800 . 3.800 3.445 2.489 3.844 0.044 20 0 "[ . 1 . 2]" 1
656 1 38 GLU H 1 38 GLU HG2 2.940 . 4.090 2.616 1.855 3.763 . 0 0 "[ . 1 . 2]" 1
657 1 38 GLU HB2 1 38 GLU HG2 2.350 . 2.900 2.636 2.362 2.993 0.093 14 0 "[ . 1 . 2]" 1
658 1 38 GLU HB2 1 38 GLU HG3 2.350 . 2.900 2.445 2.322 2.965 0.065 15 0 "[ . 1 . 2]" 1
659 1 47 LEU HA 1 47 LEU HG 2.440 . 3.080 2.969 2.487 3.188 0.108 13 0 "[ . 1 . 2]" 1
660 1 48 LEU HA 1 48 LEU HG 2.750 . 3.700 3.111 3.041 3.210 . 0 0 "[ . 1 . 2]" 1
661 1 48 LEU H 1 48 LEU HG 2.730 . 3.660 2.272 2.104 2.406 . 0 0 "[ . 1 . 2]" 1
662 1 49 GLU HA 1 49 GLU HG2 2.780 . 3.770 2.486 2.278 2.841 . 0 0 "[ . 1 . 2]" 1
663 1 49 GLU H 1 49 GLU HG3 2.930 . 4.060 2.753 2.171 3.864 . 0 0 "[ . 1 . 2]" 1
664 1 49 GLU HA 1 49 GLU HG3 2.780 . 3.770 3.283 2.984 3.723 . 0 0 "[ . 1 . 2]" 1
665 1 55 LEU H 1 55 LEU HG 3.140 . 4.490 3.965 2.201 4.421 . 0 0 "[ . 1 . 2]" 1
666 1 64 ARG H 1 64 ARG QG 3.620 . 5.440 3.031 2.113 4.148 . 0 0 "[ . 1 . 2]" 1
667 1 64 ARG HB3 1 64 ARG HD2 2.850 . 3.910 2.970 2.383 3.741 . 0 0 "[ . 1 . 2]" 1
668 1 64 ARG HB3 1 64 ARG HD3 2.850 . 3.910 2.922 2.333 3.725 . 0 0 "[ . 1 . 2]" 1
669 1 66 GLU HA 1 66 GLU HG3 2.780 . 3.770 3.736 3.599 3.821 0.051 7 0 "[ . 1 . 2]" 1
670 1 66 GLU HA 1 66 GLU HG2 2.780 . 3.770 3.127 2.719 3.405 . 0 0 "[ . 1 . 2]" 1
671 1 66 GLU HB2 1 66 GLU HG2 2.190 . 2.580 2.423 2.335 2.468 . 0 0 "[ . 1 . 2]" 1
672 1 66 GLU HB2 1 66 GLU HG3 2.190 . 2.580 2.435 2.388 2.541 . 0 0 "[ . 1 . 2]" 1
673 1 68 LEU H 1 68 LEU HG 2.600 . 3.410 2.583 2.448 2.745 . 0 0 "[ . 1 . 2]" 1
674 1 68 LEU HA 1 68 LEU HG 2.710 . 3.620 3.122 3.070 3.187 . 0 0 "[ . 1 . 2]" 1
675 1 70 LEU H 1 70 LEU HG 2.780 . 3.770 2.544 2.253 2.883 . 0 0 "[ . 1 . 2]" 1
676 1 70 LEU HA 1 70 LEU HG 2.710 . 3.620 2.964 2.703 3.109 . 0 0 "[ . 1 . 2]" 1
677 1 70 LEU HB2 1 70 LEU HG 2.170 . 2.540 2.484 2.408 2.616 0.076 2 0 "[ . 1 . 2]" 1
678 1 76 LYS HA 1 76 LYS HG2 2.850 . 3.910 2.761 2.446 3.368 . 0 0 "[ . 1 . 2]" 1
679 1 76 LYS HA 1 76 LYS HG3 2.850 . 3.910 3.317 2.945 3.896 . 0 0 "[ . 1 . 2]" 1
680 1 76 LYS HA 1 76 LYS QD 3.400 . 5.010 3.521 1.900 4.225 . 0 0 "[ . 1 . 2]" 1
681 1 76 LYS HB3 1 76 LYS HE2 3.390 . 4.990 3.911 2.092 4.664 . 0 0 "[ . 1 . 2]" 1
682 1 76 LYS HE2 1 76 LYS HG2 2.760 . 3.730 2.920 2.281 3.685 . 0 0 "[ . 1 . 2]" 1
683 1 76 LYS HE2 1 76 LYS HG3 2.760 . 3.730 2.981 2.391 3.833 0.103 1 0 "[ . 1 . 2]" 1
684 1 76 LYS HB3 1 76 LYS HE3 3.390 . 4.990 4.083 2.120 4.845 . 0 0 "[ . 1 . 2]" 1
685 1 76 LYS HE3 1 76 LYS HG2 2.760 . 3.730 3.196 2.358 3.800 0.070 6 0 "[ . 1 . 2]" 1
686 1 76 LYS HE3 1 76 LYS HG3 2.760 . 3.730 3.189 2.457 3.731 0.001 11 0 "[ . 1 . 2]" 1
687 1 77 ILE HA 1 77 ILE HG12 2.980 . 4.160 2.599 2.507 3.076 . 0 0 "[ . 1 . 2]" 1
688 1 77 ILE HA 1 77 ILE HG13 2.980 . 4.160 3.099 2.972 3.764 . 0 0 "[ . 1 . 2]" 1
689 1 84 LYS HA 1 84 LYS QD 3.370 . 4.940 4.319 3.876 4.563 . 0 0 "[ . 1 . 2]" 1
690 1 84 LYS HA 1 84 LYS HG2 3.000 . 4.200 3.344 2.455 4.222 0.022 9 0 "[ . 1 . 2]" 1
691 1 84 LYS HA 1 84 LYS HG3 3.000 . 4.200 3.425 2.646 3.832 . 0 0 "[ . 1 . 2]" 1
692 1 84 LYS QB 1 84 LYS HE2 3.740 . 5.690 2.766 1.813 4.229 . 0 0 "[ . 1 . 2]" 1
693 1 84 LYS QB 1 84 LYS HE3 3.740 . 5.690 2.980 1.807 4.258 . 0 0 "[ . 1 . 2]" 1
694 1 86 ARG HA 1 86 ARG HG2 2.960 . 4.130 3.810 3.079 4.237 0.107 12 0 "[ . 1 . 2]" 1
695 1 86 ARG HA 1 86 ARG HG3 2.960 . 4.130 3.606 2.524 3.752 . 0 0 "[ . 1 . 2]" 1
696 1 86 ARG H 1 86 ARG HG3 3.020 . 4.240 3.536 2.191 4.387 0.147 18 0 "[ . 1 . 2]" 1
697 1 86 ARG H 1 86 ARG QD 4.090 . 6.380 3.954 3.682 4.526 . 0 0 "[ . 1 . 2]" 1
698 1 86 ARG HA 1 86 ARG QD 3.400 . 5.010 4.092 2.358 4.566 . 0 0 "[ . 1 . 2]" 1
699 1 86 ARG HB3 1 86 ARG QD 2.810 . 3.820 2.554 2.326 3.527 . 0 0 "[ . 1 . 2]" 1
700 1 87 LEU HB2 1 87 LEU HG 2.400 . 3.010 2.721 2.431 3.012 0.002 7 0 "[ . 1 . 2]" 1
701 1 87 LEU HB3 1 87 LEU HG 2.400 . 3.010 2.774 2.461 3.021 0.011 15 0 "[ . 1 . 2]" 1
702 1 87 LEU H 1 87 LEU HG 3.020 . 4.240 3.773 2.380 4.396 0.156 5 0 "[ . 1 . 2]" 1
703 1 87 LEU HA 1 87 LEU HG 2.760 . 3.730 2.938 2.401 3.256 . 0 0 "[ . 1 . 2]" 1
704 1 88 GLU HA 1 88 GLU HG2 2.530 . 3.260 2.500 2.231 2.960 . 0 0 "[ . 1 . 2]" 1
705 1 88 GLU HA 1 88 GLU HG3 2.530 . 3.260 3.177 2.937 3.581 0.321 20 0 "[ . 1 . 2]" 1
706 1 88 GLU H 1 88 GLU HG2 2.960 . 4.130 3.561 2.764 4.037 . 0 0 "[ . 1 . 2]" 1
707 1 18 MET HG2 1 19 LEU H 3.900 . 6.000 4.937 3.564 5.896 . 0 0 "[ . 1 . 2]" 1
708 1 18 MET HG3 1 19 LEU H 3.900 . 6.000 4.015 2.742 5.732 . 0 0 "[ . 1 . 2]" 1
709 1 19 LEU HG 1 20 GLU H 3.450 . 5.100 4.524 4.275 5.171 0.071 7 0 "[ . 1 . 2]" 1
710 1 30 GLU HG2 1 31 GLU H 3.160 . 4.520 4.517 4.048 4.768 0.248 2 0 "[ . 1 . 2]" 1
711 1 30 GLU HG3 1 31 GLU H 3.200 . 4.600 4.314 3.939 4.748 0.148 10 0 "[ . 1 . 2]" 1
712 1 55 LEU HG 1 56 PHE H 3.900 . 6.000 4.707 4.244 5.129 . 0 0 "[ . 1 . 2]" 1
713 1 64 ARG QG 1 65 CYS H 3.650 . 5.510 3.855 2.119 4.643 . 0 0 "[ . 1 . 2]" 1
714 1 68 LEU HG 1 69 GLY H 3.680 . 5.570 4.718 4.617 4.843 . 0 0 "[ . 1 . 2]" 1
715 1 76 LYS HG2 1 77 ILE H 3.900 . 6.000 4.690 3.889 5.088 . 0 0 "[ . 1 . 2]" 1
716 1 76 LYS HG3 1 77 ILE H 3.900 . 6.000 4.411 3.837 5.004 . 0 0 "[ . 1 . 2]" 1
717 1 7 LYS QD 1 29 PHE QE 5.320 . 8.840 3.865 2.222 6.348 . 0 0 "[ . 1 . 2]" 1
718 1 7 LYS QD 1 29 PHE QD 5.400 . 9.010 5.040 3.321 7.542 . 0 0 "[ . 1 . 2]" 1
719 1 7 LYS QE 1 29 PHE QE 5.400 . 9.010 3.623 1.897 6.326 . 0 0 "[ . 1 . 2]" 1
720 1 7 LYS QE 1 29 PHE QD 5.240 . 8.690 4.689 2.597 7.390 . 0 0 "[ . 1 . 2]" 1
721 1 4 ALA HA 1 7 LYS QD 3.370 . 4.940 3.056 1.895 4.583 . 0 0 "[ . 1 . 2]" 1
722 1 4 ALA HA 1 7 LYS QE 3.920 . 6.050 4.147 2.647 5.315 . 0 0 "[ . 1 . 2]" 1
723 1 18 MET HG2 1 21 LEU HB3 3.640 . 5.490 4.921 3.427 5.540 0.050 2 0 "[ . 1 . 2]" 1
724 1 18 MET HG3 1 21 LEU HB3 3.640 . 5.490 4.705 3.748 5.712 0.222 6 0 "[ . 1 . 2]" 1
725 1 26 MET QG 1 27 PRO HD3 4.340 . 6.880 3.518 3.175 4.045 . 0 0 "[ . 1 . 2]" 1
726 1 26 MET QG 1 27 PRO HD2 4.340 . 6.880 4.461 3.951 5.140 . 0 0 "[ . 1 . 2]" 1
727 1 29 PHE QD 1 30 GLU HG2 4.670 . 7.550 3.382 2.592 4.082 . 0 0 "[ . 1 . 2]" 1
728 1 29 PHE QD 1 30 GLU HG3 4.530 . 7.260 4.386 3.401 5.424 . 0 0 "[ . 1 . 2]" 1
729 1 29 PHE QD 1 30 GLU HA 4.960 . 8.130 3.652 3.331 4.318 . 0 0 "[ . 1 . 2]" 1
730 1 27 PRO HA 1 30 GLU HG2 3.560 . 5.320 3.943 2.675 4.806 . 0 0 "[ . 1 . 2]" 1
731 1 27 PRO HA 1 30 GLU HG3 3.300 . 4.810 2.759 2.220 3.314 . 0 0 "[ . 1 . 2]" 1
732 1 33 PHE HA 1 36 LEU HG 2.820 . 3.840 3.538 2.436 3.927 0.087 9 0 "[ . 1 . 2]" 1
733 1 33 PHE QD 1 34 ASP HA 4.960 . 8.130 3.525 3.094 3.935 . 0 0 "[ . 1 . 2]" 1
734 1 29 PHE QE 1 41 GLN HA 4.600 . 7.410 4.310 3.115 5.652 . 0 0 "[ . 1 . 2]" 1
735 1 44 PHE HA 1 73 MET HG3 3.610 . 5.420 4.553 2.772 5.520 0.100 10 0 "[ . 1 . 2]" 1
736 1 45 VAL HA 1 48 LEU HG 3.900 . 6.000 2.920 2.381 3.434 . 0 0 "[ . 1 . 2]" 1
737 1 51 ASP QB 1 53 PRO QD 4.490 . 7.190 2.549 1.894 3.803 . 0 0 "[ . 1 . 2]" 1
738 1 51 ASP QB 1 53 PRO HG2 4.300 . 6.810 4.095 3.172 5.889 . 0 0 "[ . 1 . 2]" 1
739 1 51 ASP QB 1 53 PRO HG3 4.300 . 6.810 3.260 2.212 4.942 . 0 0 "[ . 1 . 2]" 1
740 1 52 ASP HB2 1 53 PRO QD 4.050 . 6.310 4.394 4.283 4.480 . 0 0 "[ . 1 . 2]" 1
741 1 52 ASP HB3 1 53 PRO QD 4.050 . 6.310 4.335 4.047 4.438 . 0 0 "[ . 1 . 2]" 1
742 1 52 ASP HA 1 55 LEU HG 3.900 . 6.000 5.249 2.965 6.191 0.191 10 0 "[ . 1 . 2]" 1
743 1 57 ALA HA 1 62 HIS HB2 3.590 . 5.390 4.597 3.212 5.469 0.079 14 0 "[ . 1 . 2]" 1
744 1 57 ALA HA 1 62 HIS HB3 3.590 . 5.390 4.575 3.417 5.464 0.074 13 0 "[ . 1 . 2]" 1
745 1 63 GLY HA2 1 64 ARG QG 4.340 . 6.880 4.192 3.281 5.808 . 0 0 "[ . 1 . 2]" 1
746 1 63 GLY HA3 1 64 ARG QG 4.340 . 6.880 4.755 4.025 6.190 . 0 0 "[ . 1 . 2]" 1
747 1 67 ASN HA 1 68 LEU HG 3.470 . 5.140 4.117 3.817 4.355 . 0 0 "[ . 1 . 2]" 1
748 1 43 ASP HA 1 70 LEU HG 3.650 . 5.500 5.459 4.770 5.594 0.094 15 0 "[ . 1 . 2]" 1
749 1 73 MET HA 1 76 LYS QD 3.440 . 5.080 3.150 1.940 4.865 . 0 0 "[ . 1 . 2]" 1
750 1 28 PHE QD 1 77 ILE HA 4.190 . 6.580 3.380 2.215 4.579 . 0 0 "[ . 1 . 2]" 1
751 1 83 SER HA 1 86 ARG QD 4.050 . 6.310 3.018 2.184 5.582 . 0 0 "[ . 1 . 2]" 1
752 1 85 VAL HB 1 86 ARG HB3 3.110 . 4.420 4.172 3.985 4.538 0.118 18 0 "[ . 1 . 2]" 1
753 1 44 PHE HA 1 73 MET HG2 3.610 . 5.420 4.323 3.132 5.479 0.059 19 0 "[ . 1 . 2]" 1
754 1 7 LYS QD 1 33 PHE QD 5.260 . 8.720 5.846 4.192 7.320 . 0 0 "[ . 1 . 2]" 1
755 1 7 LYS QE 1 33 PHE QE 5.260 . 8.730 4.893 2.738 8.746 0.016 3 0 "[ . 1 . 2]" 1
756 1 21 LEU HA 1 21 LEU MD2 3.180 . 4.570 2.169 1.842 3.813 . 0 0 "[ . 1 . 2]" 1
757 1 21 LEU HA 1 21 LEU MD1 3.630 . 5.470 3.442 1.875 3.860 . 0 0 "[ . 1 . 2]" 1
758 1 23 VAL H 1 23 VAL MG1 3.220 . 4.640 3.184 2.235 3.782 . 0 0 "[ . 1 . 2]" 1
759 1 23 VAL H 1 23 VAL MG2 3.090 . 4.390 2.063 1.886 3.780 . 0 0 "[ . 1 . 2]" 1
760 1 36 LEU HA 1 36 LEU MD1 4.170 . 6.550 3.846 3.813 3.894 . 0 0 "[ . 1 . 2]" 1
761 1 36 LEU HA 1 36 LEU MD2 3.180 . 4.570 2.009 1.897 2.133 . 0 0 "[ . 1 . 2]" 1
762 1 36 LEU H 1 36 LEU MD1 3.340 . 4.890 3.833 3.527 4.067 . 0 0 "[ . 1 . 2]" 1
763 1 48 LEU HA 1 48 LEU MD1 4.230 . 6.660 3.846 3.825 3.873 . 0 0 "[ . 1 . 2]" 1
764 1 48 LEU HA 1 48 LEU MD2 3.220 . 4.640 1.995 1.931 2.097 . 0 0 "[ . 1 . 2]" 1
765 1 55 LEU H 1 55 LEU MD2 3.940 . 6.080 4.100 3.235 4.292 . 0 0 "[ . 1 . 2]" 1
766 1 55 LEU HA 1 55 LEU MD2 3.690 . 5.580 2.703 1.908 3.227 . 0 0 "[ . 1 . 2]" 1
767 1 55 LEU HA 1 55 LEU MD1 3.340 . 4.890 3.741 3.643 3.864 . 0 0 "[ . 1 . 2]" 1
768 1 68 LEU HA 1 68 LEU MD1 3.740 . 5.690 3.768 3.699 3.822 . 0 0 "[ . 1 . 2]" 1
769 1 68 LEU HA 1 68 LEU MD2 2.930 . 4.070 1.876 1.818 1.956 . 0 0 "[ . 1 . 2]" 1
770 1 70 LEU H 1 70 LEU MD1 3.360 . 4.930 3.645 3.246 3.940 . 0 0 "[ . 1 . 2]" 1
771 1 70 LEU HA 1 70 LEU MD1 3.200 . 4.610 3.839 3.774 3.875 . 0 0 "[ . 1 . 2]" 1
772 1 70 LEU H 1 70 LEU MD2 3.330 . 4.860 3.561 3.284 3.849 . 0 0 "[ . 1 . 2]" 1
773 1 70 LEU HA 1 70 LEU MD2 2.970 . 4.140 1.972 1.800 2.301 . 15 0 "[ . 1 . 2]" 1
774 1 82 LEU HA 1 82 LEU MD1 3.170 . 4.540 3.228 1.951 3.833 . 0 0 "[ . 1 . 2]" 1
775 1 82 LEU HA 1 82 LEU MD2 2.980 . 4.170 2.904 1.825 3.876 . 0 0 "[ . 1 . 2]" 1
776 1 87 LEU HA 1 87 LEU MD2 4.100 . 6.410 3.022 1.902 3.931 . 0 0 "[ . 1 . 2]" 1
777 1 87 LEU HA 1 87 LEU MD1 4.100 . 6.410 3.047 2.066 3.849 . 0 0 "[ . 1 . 2]" 1
778 1 19 LEU MD1 1 20 GLU H 4.280 . 6.770 4.702 4.085 4.893 . 0 0 "[ . 1 . 2]" 1
779 1 19 LEU MD2 1 20 GLU H 4.280 . 6.770 4.632 3.835 4.980 . 0 0 "[ . 1 . 2]" 1
780 1 23 VAL MG1 1 24 VAL H 3.650 . 5.510 3.862 2.619 4.227 . 0 0 "[ . 1 . 2]" 1
781 1 23 VAL MG2 1 24 VAL H 3.490 . 5.180 3.492 2.608 4.077 . 0 0 "[ . 1 . 2]" 1
782 1 36 LEU MD1 1 37 THR H 4.410 . 7.020 4.643 3.818 5.373 . 0 0 "[ . 1 . 2]" 1
783 1 48 LEU MD1 1 49 GLU H 4.010 . 6.230 4.821 4.625 5.053 . 0 0 "[ . 1 . 2]" 1
784 1 48 LEU MD2 1 49 GLU H 3.940 . 6.080 4.690 4.612 4.783 . 0 0 "[ . 1 . 2]" 1
785 1 68 LEU MD2 1 69 GLY H 4.050 . 6.300 4.619 4.532 4.676 . 0 0 "[ . 1 . 2]" 1
786 1 68 LEU MD1 1 69 GLY H 4.370 . 6.950 5.092 4.968 5.244 . 0 0 "[ . 1 . 2]" 1
787 1 70 LEU MD1 1 71 ALA H 4.390 . 6.980 4.546 4.198 4.785 . 0 0 "[ . 1 . 2]" 1
788 1 85 VAL MG1 1 86 ARG H 3.740 . 5.690 3.414 3.115 3.638 . 0 0 "[ . 1 . 2]" 1
789 1 5 GLU HA 1 8 ALA MB 3.490 . 5.180 2.997 2.472 3.610 . 0 0 "[ . 1 . 2]" 1
790 1 10 ILE HA 1 13 ALA MB 3.400 . 5.000 2.845 2.333 3.314 . 0 0 "[ . 1 . 2]" 1
791 1 43 ASP HA 1 46 ALA MB 3.400 . 5.000 2.629 2.283 2.991 . 0 0 "[ . 1 . 2]" 1
792 1 54 ASP HA 1 57 ALA MB 3.270 . 4.750 2.549 2.026 3.185 . 0 0 "[ . 1 . 2]" 1
793 1 68 LEU HA 1 71 ALA MB 3.130 . 4.460 2.097 1.787 2.487 0.013 10 0 "[ . 1 . 2]" 1
794 1 69 GLY HA2 1 72 ALA MB 4.330 . 6.870 2.847 2.516 3.109 . 0 0 "[ . 1 . 2]" 1
795 1 76 LYS HA 1 79 ALA MB 3.130 . 4.460 2.684 2.288 3.241 . 0 0 "[ . 1 . 2]" 1
796 1 3 THR MG 1 6 GLN HB2 4.410 . 7.020 4.651 3.640 5.463 . 0 0 "[ . 1 . 2]" 1
797 1 3 THR MG 1 6 GLN QG 4.850 . 7.900 4.806 3.443 6.257 . 0 0 "[ . 1 . 2]" 1
798 1 5 GLU HG2 1 8 ALA MB 4.410 . 7.020 4.666 3.622 5.837 . 0 0 "[ . 1 . 2]" 1
799 1 7 LYS QB 1 8 ALA MB 4.850 . 7.900 4.020 3.747 4.750 . 0 0 "[ . 1 . 2]" 1
800 1 19 LEU HA 1 23 VAL MG2 4.330 . 6.870 4.968 4.162 5.854 . 0 0 "[ . 1 . 2]" 1
801 1 10 ILE HA 1 45 VAL MG1 4.410 . 7.020 3.955 2.750 4.821 . 0 0 "[ . 1 . 2]" 1
802 1 10 ILE MG 1 45 VAL MG1 4.920 . 8.040 3.913 2.838 4.995 . 0 0 "[ . 1 . 2]" 1
803 1 10 ILE MD 1 45 VAL MG1 4.920 . 8.040 3.757 2.689 4.698 . 0 0 "[ . 1 . 2]" 1
804 1 7 LYS QD 1 10 ILE MD 4.850 . 7.900 4.267 2.072 5.884 . 0 0 "[ . 1 . 2]" 1
805 1 10 ILE MD 1 45 VAL HB 4.410 . 7.020 5.106 4.346 5.948 . 0 0 "[ . 1 . 2]" 1
806 1 7 LYS HA 1 10 ILE MG 4.390 . 6.980 4.111 3.748 4.645 . 0 0 "[ . 1 . 2]" 1
807 1 7 LYS HA 1 10 ILE MD 3.260 . 4.720 2.267 1.780 3.115 0.020 15 0 "[ . 1 . 2]" 1
808 1 10 ILE MG 1 29 PHE QD 5.080 . 8.360 3.877 3.096 4.546 . 0 0 "[ . 1 . 2]" 1
809 1 10 ILE MD 1 29 PHE QD 5.040 . 8.280 4.138 3.085 5.308 . 0 0 "[ . 1 . 2]" 1
810 1 10 ILE MD 1 29 PHE QE 5.470 . 9.150 2.937 2.259 3.803 . 0 0 "[ . 1 . 2]" 1
811 1 10 ILE H 1 10 ILE MD 3.620 . 5.440 3.562 3.414 3.644 . 0 0 "[ . 1 . 2]" 1
812 1 7 LYS H 1 10 ILE MD 4.410 . 7.020 4.301 3.994 4.668 . 0 0 "[ . 1 . 2]" 1
813 1 10 ILE MD 1 45 VAL H 4.410 . 7.020 5.418 4.957 6.065 . 0 0 "[ . 1 . 2]" 1
814 1 14 CYS HA 1 25 ILE MD 4.140 . 6.480 4.316 2.115 6.311 . 0 0 "[ . 1 . 2]" 1
815 1 21 LEU MD2 1 56 PHE HA 3.420 . 5.040 4.425 3.553 5.140 0.100 6 0 "[ . 1 . 2]" 1
816 1 21 LEU MD1 1 56 PHE HA 4.190 . 6.590 4.312 3.446 5.557 . 0 0 "[ . 1 . 2]" 1
817 1 21 LEU MD1 1 56 PHE HB2 4.410 . 7.020 4.271 3.581 5.285 . 0 0 "[ . 1 . 2]" 1
818 1 20 GLU HA 1 23 VAL MG2 3.360 . 4.930 3.155 2.040 4.754 . 0 0 "[ . 1 . 2]" 1
819 1 25 ILE MG 1 29 PHE QB 4.850 . 7.900 2.975 2.498 3.546 . 0 0 "[ . 1 . 2]" 1
820 1 14 CYS QB 1 25 ILE MG 4.700 . 7.610 3.644 1.964 6.001 . 0 0 "[ . 1 . 2]" 1
821 1 25 ILE MG 1 48 LEU MD1 4.920 . 8.040 3.423 2.790 4.259 . 0 0 "[ . 1 . 2]" 1
822 1 25 ILE MG 1 48 LEU MD2 4.140 . 6.490 2.921 2.034 3.693 . 0 0 "[ . 1 . 2]" 1
823 1 25 ILE MD 1 77 ILE MG 4.770 . 7.750 4.416 1.961 6.591 . 0 0 "[ . 1 . 2]" 1
824 1 25 ILE HA 1 77 ILE MG 3.920 . 6.050 4.097 2.548 5.234 . 0 0 "[ . 1 . 2]" 1
825 1 25 ILE HG13 1 77 ILE MG 4.410 . 7.020 4.887 2.682 7.031 0.011 19 0 "[ . 1 . 2]" 1
826 1 33 PHE HA 1 36 LEU MD2 4.410 . 7.020 4.813 3.883 5.283 . 0 0 "[ . 1 . 2]" 1
827 1 35 SER QB 1 36 LEU MD2 4.850 . 7.900 3.599 3.024 4.424 . 0 0 "[ . 1 . 2]" 1
828 1 36 LEU MD2 1 76 LYS QD 4.180 . 6.570 3.154 2.016 4.662 . 0 0 "[ . 1 . 2]" 1
829 1 36 LEU MD2 1 76 LYS HB2 3.650 . 5.510 4.473 3.322 5.578 0.068 15 0 "[ . 1 . 2]" 1
830 1 36 LEU MD2 1 40 GLU HB2 4.410 . 7.020 2.938 2.493 3.631 . 0 0 "[ . 1 . 2]" 1
831 1 36 LEU MD2 1 76 LYS HB3 4.250 . 6.700 4.730 3.681 6.024 . 0 0 "[ . 1 . 2]" 1
832 1 36 LEU MD1 1 76 LYS HB2 3.780 . 5.760 4.922 4.023 5.789 0.029 10 0 "[ . 1 . 2]" 1
833 1 36 LEU MD1 1 40 GLU HB2 4.120 . 6.440 3.556 2.775 4.296 . 0 0 "[ . 1 . 2]" 1
834 1 36 LEU MD2 1 44 PHE HB3 4.410 . 7.020 5.924 4.635 6.968 . 0 0 "[ . 1 . 2]" 1
835 1 36 LEU MD2 1 44 PHE HB2 4.410 . 7.020 5.098 4.001 6.383 . 0 0 "[ . 1 . 2]" 1
836 1 36 LEU MD2 1 73 MET HA 4.410 . 7.020 3.884 2.622 5.810 . 0 0 "[ . 1 . 2]" 1
837 1 36 LEU MD1 1 41 GLN HA 3.880 . 5.970 3.419 2.703 4.546 . 0 0 "[ . 1 . 2]" 1
838 1 33 PHE HA 1 36 LEU MD1 3.670 . 5.540 2.924 1.777 3.765 0.023 4 0 "[ . 1 . 2]" 1
839 1 29 PHE QD 1 36 LEU MD1 5.200 . 8.610 3.970 2.826 5.523 . 0 0 "[ . 1 . 2]" 1
840 1 29 PHE QE 1 36 LEU MD1 5.470 . 9.150 4.036 2.166 6.139 . 0 0 "[ . 1 . 2]" 1
841 1 40 GLU HA 1 70 LEU MD2 4.410 . 7.020 5.774 4.499 6.666 . 0 0 "[ . 1 . 2]" 1
842 1 36 LEU MD1 1 40 GLU HB3 4.410 . 7.020 3.283 2.248 4.362 . 0 0 "[ . 1 . 2]" 1
843 1 47 LEU MD2 1 73 MET HG3 5.290 . 8.780 5.697 4.082 7.396 . 0 0 "[ . 1 . 2]" 1
844 1 43 ASP HB2 1 70 LEU MD2 4.410 . 7.020 3.900 3.178 4.603 . 0 0 "[ . 1 . 2]" 1
845 1 43 ASP HA 1 70 LEU MD2 3.690 . 5.580 3.484 2.896 4.002 . 0 0 "[ . 1 . 2]" 1
846 1 44 PHE HA 1 47 LEU MD2 4.410 . 7.020 4.139 2.968 5.404 . 0 0 "[ . 1 . 2]" 1
847 1 44 PHE H 1 45 VAL MG2 4.410 . 7.020 4.217 4.083 4.343 . 0 0 "[ . 1 . 2]" 1
848 1 44 PHE QE 1 45 VAL MG2 5.470 . 9.150 4.509 3.725 5.170 . 0 0 "[ . 1 . 2]" 1
849 1 42 ASP HA 1 45 VAL MG2 4.260 . 6.730 3.205 2.859 3.720 . 0 0 "[ . 1 . 2]" 1
850 1 45 VAL MG2 1 48 LEU MD1 4.920 . 8.040 3.089 2.621 3.869 . 0 0 "[ . 1 . 2]" 1
851 1 45 VAL MG2 1 48 LEU MD2 4.920 . 8.040 5.218 4.657 5.781 . 0 0 "[ . 1 . 2]" 1
852 1 10 ILE MG 1 45 VAL MG2 4.590 . 7.390 3.326 2.322 4.475 . 0 0 "[ . 1 . 2]" 1
853 1 10 ILE MD 1 45 VAL MG2 4.130 . 6.460 2.589 2.004 3.231 . 0 0 "[ . 1 . 2]" 1
854 1 44 PHE HA 1 47 LEU MD1 4.410 . 7.020 3.915 2.113 5.380 . 0 0 "[ . 1 . 2]" 1
855 1 47 LEU HB3 1 55 LEU MD1 4.410 . 7.020 3.781 2.030 4.955 . 0 0 "[ . 1 . 2]" 1
856 1 25 ILE MD 1 48 LEU HA 4.410 . 7.020 5.373 4.216 6.495 . 0 0 "[ . 1 . 2]" 1
857 1 45 VAL MG1 1 48 LEU MD1 4.920 . 8.040 3.307 2.557 3.939 . 0 0 "[ . 1 . 2]" 1
858 1 25 ILE MD 1 48 LEU MD2 4.410 . 7.030 2.963 2.053 3.804 . 0 0 "[ . 1 . 2]" 1
859 1 45 VAL MG1 1 48 LEU MD2 4.920 . 8.040 5.319 4.884 5.761 . 0 0 "[ . 1 . 2]" 1
860 1 13 ALA MB 1 48 LEU MD1 4.090 . 6.380 3.098 2.248 4.681 . 0 0 "[ . 1 . 2]" 1
861 1 45 VAL HA 1 48 LEU MD1 3.740 . 5.690 2.366 1.922 2.943 . 0 0 "[ . 1 . 2]" 1
862 1 45 VAL HA 1 48 LEU MD2 4.410 . 7.020 4.397 3.922 4.874 . 0 0 "[ . 1 . 2]" 1
863 1 10 ILE HA 1 48 LEU MD1 4.320 . 6.840 3.453 2.115 4.373 . 0 0 "[ . 1 . 2]" 1
864 1 14 CYS HA 1 48 LEU MD1 4.230 . 6.660 3.951 2.301 5.566 . 0 0 "[ . 1 . 2]" 1
865 1 14 CYS HA 1 48 LEU MD2 3.510 . 5.220 3.490 1.855 5.235 0.015 15 0 "[ . 1 . 2]" 1
866 1 44 PHE QD 1 48 LEU MD2 5.470 . 9.150 3.984 3.681 4.709 . 0 0 "[ . 1 . 2]" 1
867 1 48 LEU HA 1 55 LEU MD1 4.010 . 6.230 4.679 3.465 6.379 0.149 13 0 "[ . 1 . 2]" 1
868 1 52 ASP HA 1 55 LEU MD1 4.410 . 7.020 3.678 2.158 4.819 . 0 0 "[ . 1 . 2]" 1
869 1 57 ALA MB 1 60 MET H 4.120 . 6.440 4.640 4.311 4.910 . 0 0 "[ . 1 . 2]" 1
870 1 57 ALA MB 1 58 TRP HA 4.370 . 6.950 3.853 3.748 4.013 . 0 0 "[ . 1 . 2]" 1
871 1 57 ALA MB 1 62 HIS HB2 3.850 . 5.900 4.365 1.985 5.403 . 0 0 "[ . 1 . 2]" 1
872 1 57 ALA MB 1 62 HIS HB3 3.850 . 5.900 3.936 3.002 5.612 . 0 0 "[ . 1 . 2]" 1
873 1 56 PHE HA 1 59 VAL MG2 3.810 . 5.830 2.957 1.978 3.700 . 0 0 "[ . 1 . 2]" 1
874 1 59 VAL HA 1 78 VAL MG2 3.850 . 5.900 2.343 1.783 3.738 0.017 15 0 "[ . 1 . 2]" 1
875 1 59 VAL HA 1 74 VAL MG2 4.410 . 7.020 6.089 4.728 7.041 0.021 5 0 "[ . 1 . 2]" 1
876 1 67 ASN QB 1 70 LEU MD1 4.240 . 6.680 3.400 1.889 4.574 . 0 0 "[ . 1 . 2]" 1
877 1 43 ASP HB3 1 70 LEU MD2 4.410 . 7.020 2.712 1.793 3.827 0.007 19 0 "[ . 1 . 2]" 1
878 1 69 GLY H 1 70 LEU MD1 4.410 . 7.020 5.528 4.871 5.958 . 0 0 "[ . 1 . 2]" 1
879 1 47 LEU H 1 70 LEU MD2 3.990 . 6.190 3.753 3.073 4.479 . 0 0 "[ . 1 . 2]" 1
880 1 70 LEU H 1 71 ALA MB 3.960 . 6.120 4.257 4.176 4.362 . 0 0 "[ . 1 . 2]" 1
881 1 71 ALA MB 1 74 VAL MG2 4.920 . 8.040 3.916 3.638 4.417 . 0 0 "[ . 1 . 2]" 1
882 1 68 LEU MD1 1 71 ALA MB 4.920 . 8.040 4.135 3.804 4.396 . 0 0 "[ . 1 . 2]" 1
883 1 55 LEU MD2 1 71 ALA MB 4.830 . 7.860 6.447 2.852 7.831 . 0 0 "[ . 1 . 2]" 1
884 1 70 LEU MD2 1 71 ALA MB 4.920 . 8.040 5.614 5.487 5.677 . 0 0 "[ . 1 . 2]" 1
885 1 69 GLY HA3 1 72 ALA MB 4.330 . 6.870 4.185 3.871 4.433 . 0 0 "[ . 1 . 2]" 1
886 1 71 ALA HA 1 74 VAL MG2 3.630 . 5.470 2.662 2.337 3.234 . 0 0 "[ . 1 . 2]" 1
887 1 59 VAL HA 1 74 VAL MG1 3.490 . 5.180 3.713 2.427 4.601 . 0 0 "[ . 1 . 2]" 1
888 1 71 ALA HA 1 74 VAL MG1 3.940 . 6.080 3.902 3.439 4.557 . 0 0 "[ . 1 . 2]" 1
889 1 74 VAL HA 1 78 VAL MG2 4.410 . 7.020 3.948 3.723 4.184 . 0 0 "[ . 1 . 2]" 1
890 1 59 VAL MG2 1 74 VAL HA 3.970 . 6.150 4.724 4.167 5.278 . 0 0 "[ . 1 . 2]" 1
891 1 59 VAL MG2 1 74 VAL HB 4.410 . 7.020 5.162 4.412 5.721 . 0 0 "[ . 1 . 2]" 1
892 1 21 LEU MD2 1 56 PHE HB3 4.410 . 7.020 6.092 4.925 7.079 0.059 20 0 "[ . 1 . 2]" 1
893 1 36 LEU MD2 1 76 LYS HE3 4.100 . 6.410 3.805 1.794 5.870 . 0 0 "[ . 1 . 2]" 1
894 1 36 LEU MD2 1 76 LYS HE2 4.100 . 6.410 3.983 2.438 5.900 . 0 0 "[ . 1 . 2]" 1
895 1 77 ILE MG 1 81 ASN H 4.410 . 7.020 3.962 3.639 4.154 . 0 0 "[ . 1 . 2]" 1
896 1 74 VAL H 1 77 ILE MD 4.410 . 7.020 4.518 4.043 6.076 . 0 0 "[ . 1 . 2]" 1
897 1 28 PHE QD 1 77 ILE MD 5.470 . 9.150 3.803 2.360 5.048 . 0 0 "[ . 1 . 2]" 1
898 1 24 VAL HA 1 77 ILE MG 4.410 . 7.020 5.321 4.000 6.957 . 0 0 "[ . 1 . 2]" 1
899 1 25 ILE HA 1 77 ILE MD 4.390 . 6.980 4.011 2.653 4.945 . 0 0 "[ . 1 . 2]" 1
900 1 28 PHE QB 1 77 ILE MG 4.760 . 7.720 3.375 2.031 4.566 . 0 0 "[ . 1 . 2]" 1
901 1 77 ILE MG 1 78 VAL HA 3.960 . 6.120 3.435 3.250 3.584 . 0 0 "[ . 1 . 2]" 1
902 1 24 VAL HB 1 77 ILE MG 4.390 . 6.980 4.190 2.800 6.300 . 0 0 "[ . 1 . 2]" 1
903 1 74 VAL HA 1 77 ILE MD 3.270 . 4.750 2.412 1.921 4.479 . 0 0 "[ . 1 . 2]" 1
904 1 73 MET HG2 1 77 ILE MD 4.410 . 7.020 5.581 3.918 7.051 0.031 8 0 "[ . 1 . 2]" 1
905 1 73 MET HG3 1 77 ILE MD 4.410 . 7.020 5.348 3.637 6.508 . 0 0 "[ . 1 . 2]" 1
906 1 76 LYS HB2 1 77 ILE MD 4.410 . 7.020 4.687 3.764 5.112 . 0 0 "[ . 1 . 2]" 1
907 1 59 VAL MG1 1 77 ILE MG 4.770 . 7.750 3.980 3.292 4.844 . 0 0 "[ . 1 . 2]" 1
908 1 74 VAL MG1 1 77 ILE MD 4.630 . 7.460 3.354 2.363 5.312 . 0 0 "[ . 1 . 2]" 1
909 1 59 VAL MG2 1 77 ILE MD 4.680 . 7.570 4.258 3.437 5.574 . 0 0 "[ . 1 . 2]" 1
910 1 74 VAL MG2 1 77 ILE MD 4.920 . 8.040 3.279 2.695 5.318 . 0 0 "[ . 1 . 2]" 1
911 1 25 ILE MG 1 77 ILE MD 4.920 . 8.040 3.840 2.406 5.216 . 0 0 "[ . 1 . 2]" 1
912 1 59 VAL MG1 1 78 VAL HA 4.260 . 6.730 4.009 3.164 5.495 . 0 0 "[ . 1 . 2]" 1
913 1 77 ILE HB 1 78 VAL MG2 4.210 . 6.620 3.176 3.002 3.362 . 0 0 "[ . 1 . 2]" 1
914 1 75 ASP HA 1 78 VAL MG1 3.650 . 5.510 3.999 3.687 4.293 . 0 0 "[ . 1 . 2]" 1
915 1 78 VAL MG1 1 79 ALA HA 4.010 . 6.230 3.484 3.270 3.609 . 0 0 "[ . 1 . 2]" 1
916 1 75 ASP HA 1 78 VAL MG2 3.630 . 5.470 2.817 2.310 3.395 . 0 0 "[ . 1 . 2]" 1
917 1 77 ILE H 1 78 VAL MG2 4.350 . 6.910 4.042 3.870 4.225 . 0 0 "[ . 1 . 2]" 1
918 1 79 ALA HA 1 82 LEU MD1 4.250 . 6.700 3.487 1.971 4.937 . 0 0 "[ . 1 . 2]" 1
919 1 78 VAL MG1 1 79 ALA MB 4.920 . 8.040 4.173 3.819 4.312 . 0 0 "[ . 1 . 2]" 1
920 1 79 ALA MB 1 82 LEU MD1 4.860 . 7.930 4.483 3.193 5.831 . 0 0 "[ . 1 . 2]" 1
921 1 79 ALA MB 1 83 SER QB 4.850 . 7.900 5.320 4.281 6.033 . 0 0 "[ . 1 . 2]" 1
922 1 59 VAL MG1 1 84 LYS QD 4.850 . 7.900 6.597 5.683 7.891 . 0 0 "[ . 1 . 2]" 1
923 1 81 ASN HD22 1 85 VAL MG1 4.980 . 8.170 5.400 3.954 7.792 . 0 0 "[ . 1 . 2]" 1
924 1 81 ASN HD22 1 85 VAL MG2 4.980 . 8.170 3.294 2.036 5.485 . 0 0 "[ . 1 . 2]" 1
925 1 82 LEU HA 1 85 VAL MG1 4.410 . 7.020 3.891 3.524 4.212 . 0 0 "[ . 1 . 2]" 1
926 1 82 LEU HA 1 85 VAL MG2 4.410 . 7.020 2.802 2.245 3.337 . 0 0 "[ . 1 . 2]" 1
927 1 12 TRP H 1 13 ALA MB 4.410 . 7.020 4.320 4.183 4.523 . 0 0 "[ . 1 . 2]" 1
928 1 8 ALA MB 1 12 TRP HE1 4.410 . 7.020 3.550 3.025 3.983 . 0 0 "[ . 1 . 2]" 1
929 1 47 LEU HA 1 70 LEU MD1 3.800 . 5.800 4.282 3.168 5.707 . 0 0 "[ . 1 . 2]" 1
930 1 5 GLU HG3 1 8 ALA MB 4.410 . 7.020 5.020 3.841 6.229 . 0 0 "[ . 1 . 2]" 1
931 1 13 ALA MB 1 45 VAL MG1 4.360 . 6.920 4.231 3.306 5.643 . 0 0 "[ . 1 . 2]" 1
932 1 13 ALA MB 1 48 LEU MD2 4.920 . 8.040 3.878 2.554 5.313 . 0 0 "[ . 1 . 2]" 1
933 1 13 ALA MB 1 45 VAL MG2 4.920 . 8.040 5.325 4.365 6.861 . 0 0 "[ . 1 . 2]" 1
934 1 14 CYS HA 1 25 ILE MG 3.510 . 5.220 4.171 2.611 5.265 0.045 15 0 "[ . 1 . 2]" 1
935 1 20 GLU HA 1 23 VAL MG1 4.410 . 7.020 4.719 2.199 6.100 . 0 0 "[ . 1 . 2]" 1
936 1 20 GLU H 1 23 VAL MG2 4.410 . 7.020 5.029 4.167 6.370 . 0 0 "[ . 1 . 2]" 1
937 1 21 LEU MD1 1 56 PHE HB3 4.410 . 7.020 5.600 4.973 6.541 . 0 0 "[ . 1 . 2]" 1
938 1 48 LEU MD2 1 55 LEU MD1 4.920 . 8.040 3.580 2.211 5.943 . 0 0 "[ . 1 . 2]" 1
939 1 77 ILE MG 1 78 VAL MG2 4.830 . 7.860 3.614 3.337 3.863 . 0 0 "[ . 1 . 2]" 1
940 1 25 ILE HG12 1 77 ILE MG 4.410 . 7.020 4.194 2.011 6.484 . 0 0 "[ . 1 . 2]" 1
941 1 47 LEU MD1 1 73 MET HG2 5.290 . 8.780 5.562 3.189 7.770 . 0 0 "[ . 1 . 2]" 1
942 1 10 ILE MG 1 48 LEU MD1 4.380 . 6.960 2.160 1.898 2.534 . 0 0 "[ . 1 . 2]" 1
943 1 10 ILE MG 1 48 LEU MD2 4.090 . 6.380 4.027 2.991 4.609 . 0 0 "[ . 1 . 2]" 1
944 1 48 LEU MD1 1 77 ILE MD 4.470 . 7.140 5.782 4.839 6.692 . 0 0 "[ . 1 . 2]" 1
945 1 47 LEU HB2 1 70 LEU MD2 3.650 . 5.510 2.990 1.760 4.572 0.030 12 0 "[ . 1 . 2]" 1
946 1 47 LEU HB2 1 70 LEU MD1 4.120 . 6.440 4.181 2.305 6.373 . 0 0 "[ . 1 . 2]" 1
947 1 47 LEU HA 1 70 LEU MD2 3.760 . 5.720 4.067 2.971 5.497 . 0 0 "[ . 1 . 2]" 1
948 1 74 VAL MG1 1 78 VAL MG2 4.180 . 6.560 2.227 1.926 2.594 . 0 0 "[ . 1 . 2]" 1
949 1 36 LEU MD1 1 44 PHE HB2 3.760 . 5.720 3.753 3.048 4.521 . 0 0 "[ . 1 . 2]" 1
950 1 56 PHE HA 1 74 VAL MG1 4.120 . 6.440 5.328 4.266 6.196 . 0 0 "[ . 1 . 2]" 1
951 1 59 VAL MG2 1 77 ILE MG 4.840 . 7.890 3.442 2.902 4.183 . 0 0 "[ . 1 . 2]" 1
952 1 55 LEU MD1 1 77 ILE MD 4.760 . 7.720 3.983 2.295 6.796 . 0 0 "[ . 1 . 2]" 1
953 1 58 TRP H 1 74 VAL MG2 4.410 . 7.020 5.170 4.330 6.307 . 0 0 "[ . 1 . 2]" 1
954 1 12 TRP HA 1 12 TRP HD1 2.980 . 4.160 3.303 2.741 4.011 . 0 0 "[ . 1 . 2]" 1
955 1 12 TRP HB2 1 12 TRP HD1 2.710 . 3.620 2.983 2.728 3.263 . 0 0 "[ . 1 . 2]" 1
956 1 12 TRP HB2 1 12 TRP HE3 2.760 . 3.730 3.771 3.469 3.967 0.237 12 0 "[ . 1 . 2]" 1
957 1 12 TRP HB3 1 12 TRP HE3 2.670 . 3.550 2.383 2.341 2.510 . 0 0 "[ . 1 . 2]" 1
958 1 58 TRP H 1 58 TRP HD1 3.210 . 4.630 2.502 2.273 3.032 . 0 0 "[ . 1 . 2]" 1
959 1 58 TRP HA 1 58 TRP HD1 2.570 . 3.340 3.432 3.114 3.577 0.237 2 0 "[ . 1 . 2]" 1
960 1 2 TYR QD 1 3 THR H 4.670 . 7.550 3.971 2.930 4.567 . 0 0 "[ . 1 . 2]" 1
961 1 2 TYR QD 1 6 GLN HB3 3.810 . 5.820 2.910 1.752 4.931 0.048 14 0 "[ . 1 . 2]" 1
962 1 2 TYR QD 1 6 GLN HB2 4.010 . 6.220 3.599 2.758 5.078 . 0 0 "[ . 1 . 2]" 1
963 1 2 TYR QE 1 41 GLN HB2 4.100 . 6.410 3.856 2.259 6.430 0.020 9 0 "[ . 1 . 2]" 1
964 1 2 TYR QE 1 6 GLN HB3 4.530 . 7.270 4.230 2.684 6.857 . 0 0 "[ . 1 . 2]" 1
965 1 2 TYR QE 1 41 GLN HB3 4.100 . 6.410 3.319 1.781 6.385 0.009 13 0 "[ . 1 . 2]" 1
966 1 9 ARG HA 1 12 TRP HD1 3.110 . 4.420 3.812 1.861 4.478 0.058 6 0 "[ . 1 . 2]" 1
967 1 12 TRP H 1 12 TRP HD1 2.480 . 3.160 2.428 2.269 2.621 . 0 0 "[ . 1 . 2]" 1
968 1 44 PHE QD 1 45 VAL HB 4.960 . 8.130 5.253 4.701 5.765 . 0 0 "[ . 1 . 2]" 1
969 1 29 PHE HZ 1 44 PHE QD 4.280 . 6.760 5.095 4.012 6.368 . 0 0 "[ . 1 . 2]" 1
970 1 29 PHE QD 1 44 PHE QD 5.520 . 9.250 3.589 2.565 4.480 . 0 0 "[ . 1 . 2]" 1
971 1 28 PHE QD 1 44 PHE QE 6.010 . 10.220 5.760 3.405 7.512 . 0 0 "[ . 1 . 2]" 1
972 1 29 PHE QD 1 44 PHE QE 5.450 . 9.110 2.742 1.764 4.119 0.026 17 0 "[ . 1 . 2]" 1
973 1 21 LEU HG 1 56 PHE QD 4.220 . 6.650 4.680 3.348 6.189 . 0 0 "[ . 1 . 2]" 1
974 1 2 TYR QD 1 10 ILE MD 4.180 . 6.560 3.432 2.100 4.869 . 0 0 "[ . 1 . 2]" 1
975 1 2 TYR QE 1 45 VAL MG2 4.290 . 6.780 3.300 1.951 5.351 . 0 0 "[ . 1 . 2]" 1
976 1 2 TYR QE 1 45 VAL MG1 4.570 . 7.350 4.363 2.298 7.356 0.006 3 0 "[ . 1 . 2]" 1
977 1 2 TYR QE 1 10 ILE MD 4.290 . 6.780 3.515 1.945 5.664 . 0 0 "[ . 1 . 2]" 1
978 1 8 ALA MB 1 12 TRP HD1 3.510 . 5.220 3.449 2.854 3.924 . 0 0 "[ . 1 . 2]" 1
979 1 33 PHE QD 1 36 LEU MD2 5.000 . 8.210 6.251 4.917 6.943 . 0 0 "[ . 1 . 2]" 1
980 1 33 PHE QD 1 36 LEU MD1 4.480 . 7.170 4.364 2.541 5.417 . 0 0 "[ . 1 . 2]" 1
981 1 29 PHE QE 1 45 VAL MG2 4.680 . 7.570 3.943 2.871 4.856 . 0 0 "[ . 1 . 2]" 1
982 1 44 PHE QD 1 45 VAL MG2 4.500 . 7.200 3.072 2.519 3.581 . 0 0 "[ . 1 . 2]" 1
983 1 44 PHE QD 1 77 ILE MD 4.050 . 6.300 4.006 3.286 5.070 . 0 0 "[ . 1 . 2]" 1
984 1 44 PHE QD 1 48 LEU MD1 4.640 . 7.490 3.058 2.425 3.499 . 0 0 "[ . 1 . 2]" 1
985 1 10 ILE MG 1 44 PHE QD 4.460 . 7.130 4.098 3.292 5.333 . 0 0 "[ . 1 . 2]" 1
986 1 25 ILE MG 1 44 PHE QE 4.470 . 7.140 3.124 2.188 4.025 . 0 0 "[ . 1 . 2]" 1
987 1 44 PHE QE 1 77 ILE MD 4.270 . 6.740 2.661 1.780 3.914 0.020 15 0 "[ . 1 . 2]" 1
988 1 44 PHE QE 1 48 LEU MD1 4.360 . 6.920 2.413 1.791 2.792 0.009 3 0 "[ . 1 . 2]" 1
989 1 44 PHE QE 1 48 LEU MD2 4.740 . 7.680 3.060 2.598 4.065 . 0 0 "[ . 1 . 2]" 1
990 1 10 ILE MG 1 44 PHE QE 4.320 . 6.850 3.436 2.299 4.818 . 0 0 "[ . 1 . 2]" 1
991 1 25 ILE MG 1 44 PHE HZ 2.730 . 3.670 2.332 1.767 3.311 0.023 4 0 "[ . 1 . 2]" 1
992 1 44 PHE HZ 1 48 LEU MD1 3.400 . 5.000 3.474 2.650 4.308 . 0 0 "[ . 1 . 2]" 1
993 1 21 LEU MD1 1 56 PHE QD 4.370 . 6.950 3.267 2.012 5.779 . 0 0 "[ . 1 . 2]" 1
994 1 21 LEU MD2 1 56 PHE QD 4.210 . 6.630 3.357 1.901 5.447 . 0 0 "[ . 1 . 2]" 1
995 1 57 ALA MB 1 58 TRP HD1 3.240 . 4.680 2.789 2.055 3.339 . 0 0 "[ . 1 . 2]" 1
996 1 58 TRP HZ3 1 68 LEU MD1 3.650 . 5.510 5.551 5.429 5.604 0.094 20 0 "[ . 1 . 2]" 1
997 1 2 TYR QB 1 3 THR H 2.940 . 4.090 3.280 2.327 3.704 . 0 0 "[ . 1 . 2]" 1
998 1 2 TYR QB 1 7 LYS H 4.300 . 6.810 4.539 3.050 6.358 . 0 0 "[ . 1 . 2]" 1
999 1 2 TYR QE 1 41 GLN QB 3.970 . 6.150 3.025 1.772 4.879 0.018 13 0 "[ . 1 . 2]" 1
1000 1 3 THR MG 1 5 GLU QB 4.850 . 7.900 4.528 3.427 5.478 . 0 0 "[ . 1 . 2]" 1
1001 1 3 THR MG 1 6 GLN QE 4.840 . 7.880 5.097 2.737 7.902 0.022 13 0 "[ . 1 . 2]" 1
1002 1 5 GLU H 1 5 GLU QB 2.570 . 3.350 2.328 2.105 2.659 . 0 0 "[ . 1 . 2]" 1
1003 1 5 GLU QB 1 8 ALA MB 4.560 . 7.320 4.393 3.872 4.797 . 0 0 "[ . 1 . 2]" 1
1004 1 5 GLU QG 1 6 GLN H 3.830 . 5.870 4.075 3.574 4.594 . 0 0 "[ . 1 . 2]" 1
1005 1 5 GLU QG 1 8 ALA H 4.340 . 6.880 5.256 4.510 5.774 . 0 0 "[ . 1 . 2]" 1
1006 1 5 GLU QG 1 8 ALA MB 4.300 . 6.800 4.169 3.318 5.170 . 0 0 "[ . 1 . 2]" 1
1007 1 6 GLN H 1 6 GLN QE 4.200 . 6.610 4.338 1.947 5.845 . 0 0 "[ . 1 . 2]" 1
1008 1 7 LYS H 1 7 LYS QG 2.830 . 3.870 2.476 2.174 3.915 0.045 2 0 "[ . 1 . 2]" 1
1009 1 7 LYS HA 1 7 LYS QG 2.820 . 3.840 2.642 2.215 3.472 . 0 0 "[ . 1 . 2]" 1
1010 1 7 LYS QG 1 10 ILE MD 4.780 . 7.760 3.571 2.314 4.746 . 0 0 "[ . 1 . 2]" 1
1011 1 7 LYS QG 1 29 PHE QE 5.400 . 9.010 3.903 1.793 6.131 . 0 0 "[ . 1 . 2]" 1
1012 1 8 ALA H 1 9 ARG QG 4.140 . 6.480 4.175 3.843 4.858 . 0 0 "[ . 1 . 2]" 1
1013 1 8 ALA HA 1 11 LYS QB 2.980 . 4.170 2.677 2.037 3.607 . 0 0 "[ . 1 . 2]" 1
1014 1 9 ARG H 1 9 ARG QG 2.910 . 4.020 2.151 1.896 2.621 . 0 0 "[ . 1 . 2]" 1
1015 1 9 ARG QG 1 10 ILE H 3.160 . 4.520 3.916 2.430 4.302 . 0 0 "[ . 1 . 2]" 1
1016 1 10 ILE H 1 10 ILE QG 2.810 . 3.820 2.101 1.935 2.247 . 0 0 "[ . 1 . 2]" 1
1017 1 10 ILE MG 1 49 GLU QG 4.670 . 7.540 6.023 5.009 7.228 . 0 0 "[ . 1 . 2]" 1
1018 1 10 ILE QG 1 11 LYS H 3.220 . 4.650 3.945 3.763 4.088 . 0 0 "[ . 1 . 2]" 1
1019 1 10 ILE QG 1 45 VAL MG2 4.810 . 7.830 2.671 1.957 3.561 . 0 0 "[ . 1 . 2]" 1
1020 1 11 LYS H 1 11 LYS QB 2.780 . 3.760 2.288 2.113 2.537 . 0 0 "[ . 1 . 2]" 1
1021 1 11 LYS HA 1 11 LYS QD 4.090 . 6.380 3.558 2.021 4.536 . 0 0 "[ . 1 . 2]" 1
1022 1 13 ALA H 1 49 GLU QG 4.270 . 6.740 6.303 4.164 6.814 0.074 12 0 "[ . 1 . 2]" 1
1023 1 16 ARG QB 1 17 GLY H 2.870 . 3.950 2.812 1.811 3.641 . 0 0 "[ . 1 . 2]" 1
1024 1 18 MET H 1 18 MET QB 2.730 . 3.670 2.718 2.219 3.264 . 0 0 "[ . 1 . 2]" 1
1025 1 18 MET H 1 18 MET QG 3.220 . 4.650 3.451 2.119 4.301 . 0 0 "[ . 1 . 2]" 1
1026 1 18 MET H 1 21 LEU QB 3.690 . 5.580 4.392 2.847 5.490 . 0 0 "[ . 1 . 2]" 1
1027 1 18 MET HA 1 18 MET QG 2.770 . 3.740 2.970 2.430 3.353 . 0 0 "[ . 1 . 2]" 1
1028 1 18 MET QB 1 21 LEU QB 3.810 . 5.820 2.920 1.727 4.929 0.073 4 0 "[ . 1 . 2]" 1
1029 1 18 MET QG 1 19 LEU H 3.710 . 5.620 3.797 2.657 4.829 . 0 0 "[ . 1 . 2]" 1
1030 1 18 MET QG 1 21 LEU QB 3.160 . 4.530 2.915 2.167 3.701 . 0 0 "[ . 1 . 2]" 1
1031 1 18 MET HG2 1 21 LEU HB2 3.640 . 5.490 3.721 2.189 4.446 . 0 0 "[ . 1 . 2]" 1
1032 1 18 MET HG3 1 21 LEU HB2 3.640 . 5.490 3.368 2.439 4.225 . 0 0 "[ . 1 . 2]" 1
1033 1 18 MET QG 1 21 LEU MD1 4.590 . 7.390 3.037 1.962 4.634 . 0 0 "[ . 1 . 2]" 1
1034 1 19 LEU HA 1 22 ASP QB 2.680 . 3.570 2.718 1.765 3.359 0.025 14 0 "[ . 1 . 2]" 1
1035 1 19 LEU QD 1 20 GLU H 3.910 . 6.030 4.145 3.611 4.269 . 0 0 "[ . 1 . 2]" 1
1036 1 20 GLU H 1 20 GLU QG 3.050 . 4.310 2.671 1.990 3.966 . 0 0 "[ . 1 . 2]" 1
1037 1 20 GLU HA 1 20 GLU QG 2.560 . 3.330 2.486 2.330 2.801 . 0 0 "[ . 1 . 2]" 1
1038 1 21 LEU H 1 21 LEU QB 2.720 . 3.650 2.338 2.108 2.462 . 0 0 "[ . 1 . 2]" 1
1039 1 21 LEU QB 1 22 ASP H 3.000 . 4.200 2.828 2.341 3.288 . 0 0 "[ . 1 . 2]" 1
1040 1 21 LEU QB 1 23 VAL H 3.600 . 5.400 4.760 4.554 4.968 . 0 0 "[ . 1 . 2]" 1
1041 1 22 ASP H 1 22 ASP QB 2.730 . 3.670 2.235 2.169 2.270 . 0 0 "[ . 1 . 2]" 1
1042 1 23 VAL H 1 24 VAL QG 5.000 . 8.210 3.637 3.390 3.976 . 0 0 "[ . 1 . 2]" 1
1043 1 24 VAL QG 1 84 LYS QD 5.620 . 9.450 3.621 1.893 5.663 . 0 0 "[ . 1 . 2]" 1
1044 1 25 ILE QG 1 26 MET H 4.340 . 6.880 4.072 3.913 4.206 . 0 0 "[ . 1 . 2]" 1
1045 1 25 ILE QG 1 48 LEU MD2 4.700 . 7.610 4.218 3.275 5.380 . 0 0 "[ . 1 . 2]" 1
1046 1 25 ILE QG 1 77 ILE MD 4.850 . 7.900 3.619 2.071 5.493 . 0 0 "[ . 1 . 2]" 1
1047 1 26 MET H 1 27 PRO QD 2.820 . 3.850 2.387 2.197 2.552 . 0 0 "[ . 1 . 2]" 1
1048 1 26 MET QG 1 27 PRO QD 4.100 . 6.400 3.374 3.110 3.783 . 0 0 "[ . 1 . 2]" 1
1049 1 27 PRO QG 1 28 PHE H 3.370 . 4.940 3.252 2.263 3.855 . 0 0 "[ . 1 . 2]" 1
1050 1 27 PRO QD 1 28 PHE H 3.210 . 4.630 2.494 1.871 2.968 . 0 0 "[ . 1 . 2]" 1
1051 1 29 PHE HA 1 33 PHE QB 3.200 . 4.600 4.037 3.629 4.283 . 0 0 "[ . 1 . 2]" 1
1052 1 30 GLU HA 1 33 PHE QB 3.150 . 4.510 3.013 2.271 3.457 . 0 0 "[ . 1 . 2]" 1
1053 1 31 GLU H 1 31 GLU QG 2.790 . 3.780 2.286 1.880 2.715 . 0 0 "[ . 1 . 2]" 1
1054 1 31 GLU HA 1 31 GLU QG 2.680 . 3.560 2.662 2.391 3.337 . 0 0 "[ . 1 . 2]" 1
1055 1 31 GLU QG 1 32 CYS H 3.260 . 4.730 3.810 1.776 4.229 0.014 14 0 "[ . 1 . 2]" 1
1056 1 32 CYS H 1 32 CYS QB 2.710 . 3.630 2.413 2.214 2.656 . 0 0 "[ . 1 . 2]" 1
1057 1 33 PHE QB 1 34 ASP H 2.750 . 3.700 2.716 2.408 2.821 . 0 0 "[ . 1 . 2]" 1
1058 1 33 PHE QB 1 36 LEU H 3.730 . 5.660 4.907 4.561 5.190 . 0 0 "[ . 1 . 2]" 1
1059 1 34 ASP H 1 34 ASP QB 2.470 . 3.150 2.232 2.171 2.272 . 0 0 "[ . 1 . 2]" 1
1060 1 34 ASP QB 1 35 SER H 2.920 . 4.040 2.929 2.681 3.091 . 0 0 "[ . 1 . 2]" 1
1061 1 36 LEU MD2 1 40 GLU QG 4.850 . 7.900 3.200 1.799 4.015 0.001 19 0 "[ . 1 . 2]" 1
1062 1 36 LEU MD2 1 76 LYS QE 4.010 . 6.220 3.311 1.778 5.243 0.022 4 0 "[ . 1 . 2]" 1
1063 1 37 THR H 1 40 GLU QG 3.520 . 5.240 2.982 1.920 3.601 . 0 0 "[ . 1 . 2]" 1
1064 1 37 THR MG 1 40 GLU QG 4.850 . 7.900 4.156 2.774 5.740 . 0 0 "[ . 1 . 2]" 1
1065 1 38 GLU H 1 38 GLU QG 2.720 . 3.640 2.170 1.846 2.741 . 0 0 "[ . 1 . 2]" 1
1066 1 38 GLU HA 1 38 GLU QG 2.660 . 3.520 2.709 2.265 3.115 . 0 0 "[ . 1 . 2]" 1
1067 1 38 GLU HA 1 41 GLN QB 2.530 . 3.260 2.185 1.936 2.839 . 0 0 "[ . 1 . 2]" 1
1068 1 39 SER H 1 39 SER QB 2.510 . 3.230 2.585 2.234 2.817 . 0 0 "[ . 1 . 2]" 1
1069 1 39 SER HA 1 42 ASP QB 2.980 . 4.160 2.938 2.504 3.340 . 0 0 "[ . 1 . 2]" 1
1070 1 39 SER QB 1 43 ASP H 4.120 . 6.450 5.174 4.799 5.813 . 0 0 "[ . 1 . 2]" 1
1071 1 40 GLU H 1 40 GLU QG 2.680 . 3.570 2.263 1.841 3.252 . 0 0 "[ . 1 . 2]" 1
1072 1 40 GLU HA 1 40 GLU QG 2.840 . 3.890 2.632 2.389 3.076 . 0 0 "[ . 1 . 2]" 1
1073 1 40 GLU HA 1 43 ASP QB 3.040 . 4.280 2.960 2.236 3.391 . 0 0 "[ . 1 . 2]" 1
1074 1 40 GLU QG 1 41 GLN H 4.340 . 6.880 3.990 3.665 4.475 . 0 0 "[ . 1 . 2]" 1
1075 1 41 GLN H 1 41 GLN QB 2.750 . 3.710 2.188 1.979 2.421 . 0 0 "[ . 1 . 2]" 1
1076 1 41 GLN H 1 41 GLN QG 2.690 . 3.590 2.843 2.105 3.812 0.222 14 0 "[ . 1 . 2]" 1
1077 1 41 GLN QB 1 42 ASP H 2.820 . 3.840 2.648 2.309 2.913 . 0 0 "[ . 1 . 2]" 1
1078 1 41 GLN QG 1 42 ASP H 4.340 . 6.880 4.110 2.658 4.499 . 0 0 "[ . 1 . 2]" 1
1079 1 42 ASP H 1 42 ASP QB 2.550 . 3.310 2.244 2.196 2.272 . 0 0 "[ . 1 . 2]" 1
1080 1 42 ASP H 1 43 ASP QB 3.490 . 5.190 4.417 4.276 4.576 . 0 0 "[ . 1 . 2]" 1
1081 1 42 ASP QB 1 43 ASP H 2.670 . 3.540 2.484 2.387 2.655 . 0 0 "[ . 1 . 2]" 1
1082 1 43 ASP QB 1 44 PHE H 2.710 . 3.620 2.619 2.444 2.869 . 0 0 "[ . 1 . 2]" 1
1083 1 43 ASP QB 1 70 LEU MD2 4.170 . 6.540 2.639 1.785 3.645 0.015 19 0 "[ . 1 . 2]" 1
1084 1 44 PHE HA 1 47 LEU QD 4.220 . 6.650 3.080 2.109 3.747 . 0 0 "[ . 1 . 2]" 1
1085 1 44 PHE HA 1 73 MET QG 3.340 . 4.880 3.679 2.747 4.876 . 0 0 "[ . 1 . 2]" 1
1086 1 44 PHE QD 1 47 LEU QD 5.330 . 8.860 3.387 2.683 4.348 . 0 0 "[ . 1 . 2]" 1
1087 1 44 PHE QD 1 73 MET QG 5.400 . 9.010 3.177 2.138 4.268 . 0 0 "[ . 1 . 2]" 1
1088 1 44 PHE QE 1 47 LEU QD 5.460 . 9.120 4.092 3.111 4.720 . 0 0 "[ . 1 . 2]" 1
1089 1 46 ALA H 1 47 LEU QD 4.520 . 7.240 5.357 4.876 5.694 . 0 0 "[ . 1 . 2]" 1
1090 1 46 ALA MB 1 47 LEU QD 5.120 . 8.440 4.252 3.688 4.806 . 0 0 "[ . 1 . 2]" 1
1091 1 47 LEU QD 1 48 LEU H 4.970 . 8.140 3.951 3.352 4.202 . 0 0 "[ . 1 . 2]" 1
1092 1 47 LEU QD 1 55 LEU MD1 4.830 . 7.860 2.406 1.746 3.691 0.054 5 0 "[ . 1 . 2]" 1
1093 1 47 LEU QD 1 73 MET QB 5.620 . 9.450 4.290 2.157 6.382 . 0 0 "[ . 1 . 2]" 1
1094 1 47 LEU QD 1 73 MET QG 4.520 . 7.250 3.956 2.376 4.793 . 0 0 "[ . 1 . 2]" 1
1095 1 47 LEU MD1 1 73 MET HG3 5.290 . 8.780 5.558 2.465 7.566 . 0 0 "[ . 1 . 2]" 1
1096 1 47 LEU MD2 1 73 MET HG2 5.290 . 8.780 5.727 4.380 8.104 . 0 0 "[ . 1 . 2]" 1
1097 1 47 LEU QD 1 74 VAL H 4.820 . 7.850 4.771 3.539 6.076 . 0 0 "[ . 1 . 2]" 1
1098 1 47 LEU QD 1 74 VAL HA 5.180 . 8.570 5.132 3.943 6.387 . 0 0 "[ . 1 . 2]" 1
1099 1 47 LEU QD 1 74 VAL MG2 4.940 . 8.080 2.955 2.020 3.697 . 0 0 "[ . 1 . 2]" 1
1100 1 48 LEU MD1 1 49 GLU QG 4.450 . 7.110 4.845 4.446 5.226 . 0 0 "[ . 1 . 2]" 1
1101 1 48 LEU MD2 1 49 GLU QG 4.850 . 7.900 5.638 5.337 5.931 . 0 0 "[ . 1 . 2]" 1
1102 1 49 GLU H 1 49 GLU QG 2.790 . 3.780 2.477 2.147 2.767 . 0 0 "[ . 1 . 2]" 1
1103 1 49 GLU HA 1 49 GLU QG 2.690 . 3.590 2.413 2.237 2.754 . 0 0 "[ . 1 . 2]" 1
1104 1 49 GLU QG 1 50 SER H 4.340 . 6.880 4.295 4.058 4.503 . 0 0 "[ . 1 . 2]" 1
1105 1 51 ASP QB 1 53 PRO QG 4.190 . 6.590 3.122 2.197 4.622 . 0 0 "[ . 1 . 2]" 1
1106 1 52 ASP HA 1 55 LEU QB 3.120 . 4.440 2.913 2.207 3.835 . 0 0 "[ . 1 . 2]" 1
1107 1 52 ASP QB 1 53 PRO QD 3.960 . 6.120 3.885 3.743 3.958 . 0 0 "[ . 1 . 2]" 1
1108 1 53 PRO QB 1 54 ASP H 2.850 . 3.900 2.627 2.286 3.284 . 0 0 "[ . 1 . 2]" 1
1109 1 55 LEU QB 1 56 PHE H 2.750 . 3.700 2.375 2.237 2.724 . 0 0 "[ . 1 . 2]" 1
1110 1 57 ALA HA 1 62 HIS QB 3.350 . 4.900 3.849 3.169 4.475 . 0 0 "[ . 1 . 2]" 1
1111 1 57 ALA MB 1 62 HIS QB 3.630 . 5.470 3.524 1.958 4.796 . 0 0 "[ . 1 . 2]" 1
1112 1 60 MET H 1 60 MET QG 2.920 . 4.050 2.548 1.994 3.925 . 0 0 "[ . 1 . 2]" 1
1113 1 62 HIS H 1 62 HIS QB 2.720 . 3.650 2.685 2.432 2.899 . 0 0 "[ . 1 . 2]" 1
1114 1 64 ARG H 1 64 ARG QD 4.340 . 6.880 4.159 2.415 4.889 . 0 0 "[ . 1 . 2]" 1
1115 1 64 ARG HB2 1 64 ARG QD 2.660 . 3.520 2.672 2.315 3.309 . 0 0 "[ . 1 . 2]" 1
1116 1 64 ARG HB3 1 64 ARG QD 2.760 . 3.720 2.508 2.190 3.310 . 0 0 "[ . 1 . 2]" 1
1117 1 65 CYS H 1 65 CYS QB 2.680 . 3.570 2.676 2.329 3.172 . 0 0 "[ . 1 . 2]" 1
1118 1 65 CYS QB 1 71 ALA MB 4.500 . 7.210 2.923 2.127 4.047 . 0 0 "[ . 1 . 2]" 1
1119 1 66 GLU H 1 66 GLU QG 3.030 . 4.260 2.288 1.902 3.040 . 0 0 "[ . 1 . 2]" 1
1120 1 66 GLU HA 1 66 GLU QG 2.650 . 3.500 2.974 2.643 3.145 . 0 0 "[ . 1 . 2]" 1
1121 1 66 GLU HB2 1 66 GLU QG 2.070 . 2.350 2.163 2.157 2.168 . 0 0 "[ . 1 . 2]" 1
1122 1 66 GLU QG 1 67 ASN H 3.620 . 5.450 4.041 3.752 4.362 . 0 0 "[ . 1 . 2]" 1
1123 1 67 ASN QD 1 68 LEU H 4.330 . 6.860 4.899 3.632 5.821 . 0 0 "[ . 1 . 2]" 1
1124 1 67 ASN QD 1 70 LEU HG 4.170 . 6.540 2.810 1.783 5.518 0.017 4 0 "[ . 1 . 2]" 1
1125 1 67 ASN QD 1 70 LEU MD1 3.720 . 5.640 2.727 1.773 4.984 0.027 15 0 "[ . 1 . 2]" 1
1126 1 69 GLY QA 1 72 ALA MB 4.020 . 6.250 2.803 2.486 3.050 . 0 0 "[ . 1 . 2]" 1
1127 1 72 ALA HA 1 75 ASP QB 2.710 . 3.630 2.707 2.128 3.252 . 0 0 "[ . 1 . 2]" 1
1128 1 73 MET H 1 73 MET QG 2.830 . 3.870 2.428 1.829 3.599 . 0 0 "[ . 1 . 2]" 1
1129 1 73 MET QG 1 77 ILE MD 4.190 . 6.590 4.825 3.564 6.006 . 0 0 "[ . 1 . 2]" 1
1130 1 75 ASP H 1 75 ASP QB 2.540 . 3.280 2.241 2.220 2.265 . 0 0 "[ . 1 . 2]" 1
1131 1 75 ASP QB 1 76 LYS H 2.740 . 3.680 2.574 2.430 2.690 . 0 0 "[ . 1 . 2]" 1
1132 1 76 LYS HA 1 76 LYS QG 2.630 . 3.460 2.627 2.365 3.162 . 0 0 "[ . 1 . 2]" 1
1133 1 76 LYS HB2 1 76 LYS QE 3.380 . 4.970 3.765 2.850 4.216 . 0 0 "[ . 1 . 2]" 1
1134 1 76 LYS QE 1 76 LYS QG 2.590 . 3.380 2.245 2.103 2.418 . 0 0 "[ . 1 . 2]" 1
1135 1 76 LYS QG 1 77 ILE H 3.790 . 5.780 3.955 3.691 4.159 . 0 0 "[ . 1 . 2]" 1
1136 1 77 ILE H 1 77 ILE QG 2.710 . 3.630 2.101 2.016 2.193 . 0 0 "[ . 1 . 2]" 1
1137 1 77 ILE HA 1 77 ILE QG 2.880 . 3.970 2.473 2.385 2.945 . 0 0 "[ . 1 . 2]" 1
1138 1 79 ALA HA 1 82 LEU QB 2.880 . 3.970 2.722 2.355 3.058 . 0 0 "[ . 1 . 2]" 1
1139 1 81 ASN QD 1 85 VAL QG 4.220 . 6.640 3.054 1.998 4.894 . 0 0 "[ . 1 . 2]" 1
1140 1 81 ASN HD21 1 85 VAL MG1 4.980 . 8.170 5.985 4.684 8.225 0.055 4 0 "[ . 1 . 2]" 1
1141 1 82 LEU H 1 82 LEU QB 2.470 . 3.140 2.215 2.062 2.386 . 0 0 "[ . 1 . 2]" 1
1142 1 82 LEU HA 1 85 VAL QG 3.920 . 6.050 2.731 2.232 3.202 . 0 0 "[ . 1 . 2]" 1
1143 1 82 LEU QB 1 83 SER H 2.640 . 3.480 2.628 2.465 2.768 . 0 0 "[ . 1 . 2]" 1
1144 1 83 SER QB 1 87 LEU QD 5.620 . 9.450 4.351 3.282 5.099 . 0 0 "[ . 1 . 2]" 1
1145 1 84 LYS H 1 84 LYS QG 2.800 . 3.800 2.335 1.912 3.838 0.038 1 0 "[ . 1 . 2]" 1
1146 1 84 LYS H 1 85 VAL QG 4.880 . 7.960 3.908 3.767 4.072 . 0 0 "[ . 1 . 2]" 1
1147 1 84 LYS H 1 87 LEU QB 3.710 . 5.620 4.718 4.339 5.263 . 0 0 "[ . 1 . 2]" 1
1148 1 84 LYS H 1 87 LEU QD 5.020 . 8.250 4.787 3.988 5.370 . 0 0 "[ . 1 . 2]" 1
1149 1 84 LYS HA 1 87 LEU QB 2.870 . 3.950 2.499 2.072 2.852 . 0 0 "[ . 1 . 2]" 1
1150 1 84 LYS QB 1 84 LYS QE 3.570 . 5.340 2.259 1.786 3.673 0.014 4 0 "[ . 1 . 2]" 1
1151 1 84 LYS QB 1 85 VAL QG 5.620 . 9.450 3.733 3.078 4.245 . 0 0 "[ . 1 . 2]" 1
1152 1 85 VAL QG 1 86 ARG HA 5.180 . 8.570 3.356 3.083 3.551 . 0 0 "[ . 1 . 2]" 1
1153 1 86 ARG H 1 86 ARG QG 2.920 . 4.040 2.536 2.096 3.905 . 0 0 "[ . 1 . 2]" 1
1154 1 86 ARG HA 1 86 ARG QG 2.720 . 3.650 3.287 2.415 3.490 . 0 0 "[ . 1 . 2]" 1
1155 1 87 LEU H 1 87 LEU QB 2.530 . 3.270 2.240 2.140 2.374 . 0 0 "[ . 1 . 2]" 1
1156 1 87 LEU H 1 87 LEU QD 3.950 . 6.110 3.575 3.108 3.799 . 0 0 "[ . 1 . 2]" 1
1157 1 87 LEU QB 1 88 GLU H 2.800 . 3.810 2.394 1.849 2.911 . 0 0 "[ . 1 . 2]" 1
1158 1 88 GLU H 1 88 GLU QG 2.890 . 3.980 2.764 2.300 3.175 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 46
_Distance_constraint_stats_list.Viol_count 152
_Distance_constraint_stats_list.Viol_total 83.512
_Distance_constraint_stats_list.Viol_max 0.131
_Distance_constraint_stats_list.Viol_rms 0.0145
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0045
_Distance_constraint_stats_list.Viol_average_violations_only 0.0275
_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 7 LYS 0.072 0.037 7 0 "[ . 1 . 2]"
1 8 ALA 0.109 0.050 7 0 "[ . 1 . 2]"
1 10 ILE 0.112 0.032 5 0 "[ . 1 . 2]"
1 11 LYS 0.072 0.037 7 0 "[ . 1 . 2]"
1 12 TRP 0.109 0.050 7 0 "[ . 1 . 2]"
1 13 ALA 0.112 0.032 5 0 "[ . 1 . 2]"
1 21 LEU 0.099 0.046 1 0 "[ . 1 . 2]"
1 24 VAL 0.099 0.046 1 0 "[ . 1 . 2]"
1 25 ILE 0.060 0.026 11 0 "[ . 1 . 2]"
1 28 PHE 0.345 0.081 5 0 "[ . 1 . 2]"
1 29 PHE 0.278 0.087 7 0 "[ . 1 . 2]"
1 32 CYS 0.786 0.106 3 0 "[ . 1 . 2]"
1 33 PHE 0.218 0.087 7 0 "[ . 1 . 2]"
1 35 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LEU 0.440 0.106 3 0 "[ . 1 . 2]"
1 37 THR 0.161 0.050 12 0 "[ . 1 . 2]"
1 38 GLU 0.119 0.037 15 0 "[ . 1 . 2]"
1 40 GLU 0.107 0.055 5 0 "[ . 1 . 2]"
1 41 GLN 0.313 0.069 17 0 "[ . 1 . 2]"
1 42 ASP 0.119 0.037 15 0 "[ . 1 . 2]"
1 43 ASP 0.353 0.063 2 0 "[ . 1 . 2]"
1 44 PHE 0.107 0.055 5 0 "[ . 1 . 2]"
1 45 VAL 0.152 0.069 17 0 "[ . 1 . 2]"
1 46 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LEU 0.353 0.063 2 0 "[ . 1 . 2]"
1 52 ASP 0.792 0.123 6 0 "[ . 1 . 2]"
1 55 LEU 0.419 0.131 13 0 "[ . 1 . 2]"
1 56 PHE 0.792 0.123 6 0 "[ . 1 . 2]"
1 57 ALA 0.300 0.087 10 0 "[ . 1 . 2]"
1 59 VAL 0.419 0.131 13 0 "[ . 1 . 2]"
1 62 HIS 0.300 0.087 10 0 "[ . 1 . 2]"
1 71 ALA 0.047 0.017 12 0 "[ . 1 . 2]"
1 74 VAL 0.091 0.031 20 0 "[ . 1 . 2]"
1 75 ASP 0.047 0.017 12 0 "[ . 1 . 2]"
1 78 VAL 0.091 0.031 20 0 "[ . 1 . 2]"
1 79 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 LEU 0.059 0.022 8 0 "[ . 1 . 2]"
1 83 SER 0.120 0.041 17 0 "[ . 1 . 2]"
1 86 ARG 0.059 0.022 8 0 "[ . 1 . 2]"
1 87 LEU 0.120 0.041 17 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 LYS O 1 11 LYS H 2.000 . 2.300 1.980 1.778 2.277 0.022 7 0 "[ . 1 . 2]" 2
2 1 7 LYS O 1 11 LYS N 3.000 2.700 3.300 2.907 2.663 3.231 0.037 7 0 "[ . 1 . 2]" 2
3 1 8 ALA O 1 12 TRP H 2.000 . 2.300 2.118 1.824 2.350 0.050 7 0 "[ . 1 . 2]" 2
4 1 8 ALA O 1 12 TRP N 3.000 2.700 3.300 3.019 2.789 3.234 . 0 0 "[ . 1 . 2]" 2
5 1 10 ILE O 1 13 ALA H 2.000 . 2.300 2.181 1.946 2.332 0.032 5 0 "[ . 1 . 2]" 2
6 1 10 ILE O 1 13 ALA N 3.000 2.700 3.300 2.924 2.783 3.148 . 0 0 "[ . 1 . 2]" 2
7 1 21 LEU O 1 24 VAL H 2.000 . 2.300 2.189 1.939 2.346 0.046 1 0 "[ . 1 . 2]" 2
8 1 21 LEU O 1 24 VAL N 3.000 2.700 3.300 3.009 2.831 3.190 . 0 0 "[ . 1 . 2]" 2
9 1 25 ILE O 1 29 PHE H 2.000 . 2.300 1.892 1.774 2.068 0.026 11 0 "[ . 1 . 2]" 2
10 1 25 ILE O 1 29 PHE N 3.000 2.700 3.300 2.804 2.693 3.001 0.007 11 0 "[ . 1 . 2]" 2
11 1 28 PHE O 1 32 CYS H 2.000 . 2.300 1.809 1.719 1.973 0.081 5 0 "[ . 1 . 2]" 2
12 1 28 PHE O 1 32 CYS N 3.000 2.700 3.300 2.770 2.690 2.936 0.010 5 0 "[ . 1 . 2]" 2
13 1 29 PHE O 1 33 PHE H 2.000 . 2.300 1.904 1.769 2.305 0.031 10 0 "[ . 1 . 2]" 2
14 1 29 PHE O 1 33 PHE N 3.000 2.700 3.300 2.779 2.613 3.215 0.087 7 0 "[ . 1 . 2]" 2
15 1 32 CYS O 1 35 SER H 2.000 . 2.300 1.994 1.820 2.225 . 0 0 "[ . 1 . 2]" 2
16 1 32 CYS O 1 35 SER N 3.000 2.700 3.300 2.826 2.701 3.033 . 0 0 "[ . 1 . 2]" 2
17 1 32 CYS O 1 36 LEU H 2.000 . 2.300 2.105 1.752 2.406 0.106 3 0 "[ . 1 . 2]" 2
18 1 32 CYS O 1 36 LEU N 3.000 2.700 3.300 2.818 2.666 3.005 0.034 8 0 "[ . 1 . 2]" 2
19 1 37 THR O 1 41 GLN H 2.000 . 2.300 1.845 1.750 1.994 0.050 12 0 "[ . 1 . 2]" 2
20 1 37 THR O 1 41 GLN N 3.000 2.700 3.300 2.789 2.697 2.937 0.003 16 0 "[ . 1 . 2]" 2
21 1 38 GLU O 1 42 ASP H 2.000 . 2.300 1.881 1.767 2.098 0.033 5 0 "[ . 1 . 2]" 2
22 1 38 GLU O 1 42 ASP N 3.000 2.700 3.300 2.768 2.663 2.898 0.037 15 0 "[ . 1 . 2]" 2
23 1 40 GLU O 1 44 PHE H 2.000 . 2.300 2.084 1.863 2.355 0.055 5 0 "[ . 1 . 2]" 2
24 1 40 GLU O 1 44 PHE N 3.000 2.700 3.300 3.000 2.774 3.292 . 0 0 "[ . 1 . 2]" 2
25 1 41 GLN O 1 45 VAL H 2.000 . 2.300 1.926 1.731 2.340 0.069 17 0 "[ . 1 . 2]" 2
26 1 41 GLN O 1 45 VAL N 3.000 2.700 3.300 2.873 2.694 3.285 0.006 17 0 "[ . 1 . 2]" 2
27 1 42 ASP O 1 46 ALA H 2.000 . 2.300 1.965 1.808 2.148 . 0 0 "[ . 1 . 2]" 2
28 1 42 ASP O 1 46 ALA N 3.000 2.700 3.300 2.908 2.743 3.087 . 0 0 "[ . 1 . 2]" 2
29 1 43 ASP O 1 47 LEU H 2.000 . 2.300 2.242 1.861 2.363 0.063 2 0 "[ . 1 . 2]" 2
30 1 43 ASP O 1 47 LEU N 3.000 2.700 3.300 3.100 2.773 3.257 . 0 0 "[ . 1 . 2]" 2
31 1 52 ASP O 1 56 PHE H 2.000 . 2.300 2.246 1.781 2.423 0.123 6 0 "[ . 1 . 2]" 2
32 1 52 ASP O 1 56 PHE N 3.000 2.700 3.300 3.154 2.699 3.320 0.020 6 0 "[ . 1 . 2]" 2
33 1 55 LEU O 1 59 VAL H 2.000 . 2.300 2.269 2.038 2.431 0.131 13 0 "[ . 1 . 2]" 2
34 1 55 LEU O 1 59 VAL N 3.000 2.700 3.300 3.187 2.982 3.298 . 0 0 "[ . 1 . 2]" 2
35 1 57 ALA O 1 62 HIS H 2.000 . 2.300 1.832 1.713 2.113 0.087 10 0 "[ . 1 . 2]" 2
36 1 57 ALA O 1 62 HIS N 3.000 2.700 3.300 2.782 2.691 3.054 0.009 10 0 "[ . 1 . 2]" 2
37 1 71 ALA O 1 75 ASP H 2.000 . 2.300 1.880 1.783 2.219 0.017 12 0 "[ . 1 . 2]" 2
38 1 71 ALA O 1 75 ASP N 3.000 2.700 3.300 2.790 2.687 3.123 0.013 2 0 "[ . 1 . 2]" 2
39 1 74 VAL O 1 78 VAL H 2.000 . 2.300 1.853 1.769 2.053 0.031 20 0 "[ . 1 . 2]" 2
40 1 74 VAL O 1 78 VAL N 3.000 2.700 3.300 2.804 2.715 2.961 . 0 0 "[ . 1 . 2]" 2
41 1 75 ASP O 1 79 ALA H 2.000 . 2.300 1.952 1.804 2.083 . 0 0 "[ . 1 . 2]" 2
42 1 75 ASP O 1 79 ALA N 3.000 2.700 3.300 2.873 2.730 3.041 . 0 0 "[ . 1 . 2]" 2
43 1 82 LEU O 1 86 ARG H 2.000 . 2.300 1.992 1.778 2.303 0.022 8 0 "[ . 1 . 2]" 2
44 1 82 LEU O 1 86 ARG N 3.000 2.700 3.300 2.891 2.688 3.157 0.012 8 0 "[ . 1 . 2]" 2
45 1 83 SER O 1 87 LEU H 2.000 . 2.300 2.171 1.823 2.341 0.041 17 0 "[ . 1 . 2]" 2
46 1 83 SER O 1 87 LEU N 3.000 2.700 3.300 2.948 2.744 3.095 . 0 0 "[ . 1 . 2]" 2
stop_
save_