NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
512228 |
2lc5   |
15663 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lc5
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 818
_Distance_constraint_stats_list.Viol_count 1911
_Distance_constraint_stats_list.Viol_total 962.461
_Distance_constraint_stats_list.Viol_max 0.173
_Distance_constraint_stats_list.Viol_rms 0.0115
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0029
_Distance_constraint_stats_list.Viol_average_violations_only 0.0252
_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 4 GLN 0.002 0.001 20 0 "[ . 1 . 2]"
1 5 LYS 0.007 0.002 20 0 "[ . 1 . 2]"
1 6 LYS 0.007 0.002 20 0 "[ . 1 . 2]"
1 7 VAL 0.005 0.002 10 0 "[ . 1 . 2]"
1 8 LEU 0.108 0.048 2 0 "[ . 1 . 2]"
1 9 THR 0.179 0.027 10 0 "[ . 1 . 2]"
1 10 ALA 0.658 0.041 20 0 "[ . 1 . 2]"
1 11 GLU 1.267 0.059 2 0 "[ . 1 . 2]"
1 12 GLU 1.791 0.060 16 0 "[ . 1 . 2]"
1 13 GLN 2.571 0.085 17 0 "[ . 1 . 2]"
1 14 GLN 2.175 0.065 10 0 "[ . 1 . 2]"
1 15 GLU 1.548 0.054 2 0 "[ . 1 . 2]"
1 16 TYR 2.311 0.085 17 0 "[ . 1 . 2]"
1 17 LYS 2.196 0.065 10 0 "[ . 1 . 2]"
1 18 GLU 1.166 0.058 5 0 "[ . 1 . 2]"
1 19 ALA 1.855 0.094 17 0 "[ . 1 . 2]"
1 20 PHE 1.623 0.066 17 0 "[ . 1 . 2]"
1 21 GLN 1.901 0.076 19 0 "[ . 1 . 2]"
1 22 LEU 1.032 0.055 2 0 "[ . 1 . 2]"
1 23 PHE 0.966 0.040 12 0 "[ . 1 . 2]"
1 24 ASP 0.263 0.033 6 0 "[ . 1 . 2]"
1 25 LYS 0.252 0.038 9 0 "[ . 1 . 2]"
1 26 ASP 0.055 0.042 9 0 "[ . 1 . 2]"
1 27 ASN 0.200 0.042 9 0 "[ . 1 . 2]"
1 28 ASP 0.008 0.008 15 0 "[ . 1 . 2]"
1 29 ASN 0.820 0.076 19 0 "[ . 1 . 2]"
1 30 LYS 1.419 0.090 5 0 "[ . 1 . 2]"
1 31 LEU 2.166 0.121 19 0 "[ . 1 . 2]"
1 32 THR 1.636 0.121 19 0 "[ . 1 . 2]"
1 33 ALA 0.714 0.067 8 0 "[ . 1 . 2]"
1 34 GLU 1.743 0.067 8 0 "[ . 1 . 2]"
1 35 GLU 1.933 0.154 20 0 "[ . 1 . 2]"
1 36 LEU 5.014 0.173 20 0 "[ . 1 . 2]"
1 37 GLY 1.749 0.107 20 0 "[ . 1 . 2]"
1 38 THR 1.701 0.055 19 0 "[ . 1 . 2]"
1 39 VAL 2.752 0.132 20 0 "[ . 1 . 2]"
1 40 MET 2.866 0.173 20 0 "[ . 1 . 2]"
1 41 ARG 0.852 0.116 6 0 "[ . 1 . 2]"
1 42 ALA 0.162 0.018 12 0 "[ . 1 . 2]"
1 43 LEU 0.538 0.116 6 0 "[ . 1 . 2]"
1 44 GLY 0.497 0.060 13 0 "[ . 1 . 2]"
1 45 ALA 0.414 0.054 1 0 "[ . 1 . 2]"
1 46 ASN 0.426 0.054 1 0 "[ . 1 . 2]"
1 47 PRO 0.300 0.028 18 0 "[ . 1 . 2]"
1 48 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LYS 0.347 0.039 17 0 "[ . 1 . 2]"
1 50 GLN 0.523 0.039 17 0 "[ . 1 . 2]"
1 51 LYS 1.457 0.068 17 0 "[ . 1 . 2]"
1 52 ILE 1.530 0.151 15 0 "[ . 1 . 2]"
1 53 SER 0.613 0.082 19 0 "[ . 1 . 2]"
1 54 GLU 0.379 0.062 15 0 "[ . 1 . 2]"
1 55 ILE 1.094 0.151 15 0 "[ . 1 . 2]"
1 56 VAL 1.276 0.082 19 0 "[ . 1 . 2]"
1 57 LYS 0.708 0.054 12 0 "[ . 1 . 2]"
1 58 ASP 0.242 0.054 12 0 "[ . 1 . 2]"
1 59 TYR 0.046 0.011 12 0 "[ . 1 . 2]"
1 60 ASP 0.054 0.020 15 0 "[ . 1 . 2]"
1 61 LYS 0.075 0.020 15 0 "[ . 1 . 2]"
1 62 ASP 0.213 0.014 1 0 "[ . 1 . 2]"
1 63 ASN 1.474 0.069 15 0 "[ . 1 . 2]"
1 64 SER 3.634 0.145 18 0 "[ . 1 . 2]"
1 65 GLY 2.683 0.145 18 0 "[ . 1 . 2]"
1 66 LYS 1.088 0.059 14 0 "[ . 1 . 2]"
1 67 PHE 1.388 0.101 8 0 "[ . 1 . 2]"
1 68 ASP 2.249 0.090 5 0 "[ . 1 . 2]"
1 69 GLN 1.645 0.068 16 0 "[ . 1 . 2]"
1 70 GLU 2.107 0.068 16 0 "[ . 1 . 2]"
1 71 THR 2.443 0.080 16 0 "[ . 1 . 2]"
1 72 PHE 3.326 0.094 17 0 "[ . 1 . 2]"
1 73 LEU 1.899 0.068 11 0 "[ . 1 . 2]"
1 74 THR 1.750 0.056 12 0 "[ . 1 . 2]"
1 75 ILE 3.168 0.065 16 0 "[ . 1 . 2]"
1 76 MET 2.597 0.060 9 0 "[ . 1 . 2]"
1 77 LEU 1.390 0.056 12 0 "[ . 1 . 2]"
1 78 GLU 0.915 0.065 16 0 "[ . 1 . 2]"
1 79 TYR 0.441 0.060 9 0 "[ . 1 . 2]"
1 80 GLY 0.093 0.025 10 0 "[ . 1 . 2]"
1 81 GLN 0.408 0.056 5 0 "[ . 1 . 2]"
1 82 GLU 0.702 0.061 2 0 "[ . 1 . 2]"
1 83 VAL 0.213 0.061 2 0 "[ . 1 . 2]"
1 84 ASP 0.005 0.004 10 0 "[ . 1 . 2]"
1 85 SER 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 GLN HA 1 5 LYS H . . 3.500 2.246 2.193 2.267 . 0 0 "[ . 1 . 2]" 1
2 1 4 GLN HB2 1 5 LYS H . . 4.000 3.878 2.879 3.998 . 0 0 "[ . 1 . 2]" 1
3 1 4 GLN HB3 1 5 LYS H . . 4.000 2.908 2.784 3.969 . 0 0 "[ . 1 . 2]" 1
4 1 4 GLN HB2 1 6 LYS H . . 5.500 5.255 5.033 5.440 . 0 0 "[ . 1 . 2]" 1
5 1 4 GLN HB3 1 6 LYS HD2 . . 4.500 4.114 3.564 4.501 0.001 20 0 "[ . 1 . 2]" 1
6 1 4 GLN H 1 5 LYS HA . . 4.700 4.680 4.650 4.701 0.001 7 0 "[ . 1 . 2]" 1
7 1 4 GLN H 1 5 LYS H . . 4.400 4.341 4.283 4.366 . 0 0 "[ . 1 . 2]" 1
8 1 4 GLN H 1 4 GLN HB2 . . 4.000 2.906 2.773 3.906 . 0 0 "[ . 1 . 2]" 1
9 1 4 GLN H 1 4 GLN HB3 . . 4.000 3.869 3.399 3.939 . 0 0 "[ . 1 . 2]" 1
10 1 4 GLN H 1 4 GLN HG2 . . 5.000 3.829 2.460 4.656 . 0 0 "[ . 1 . 2]" 1
11 1 5 LYS HA 1 6 LYS H . . 3.500 2.147 2.140 2.152 . 0 0 "[ . 1 . 2]" 1
12 1 5 LYS HB2 1 6 LYS H . . 4.500 4.465 4.335 4.502 0.002 20 0 "[ . 1 . 2]" 1
13 1 5 LYS HG2 1 6 LYS H . . 5.000 3.979 3.010 4.671 . 0 0 "[ . 1 . 2]" 1
14 1 5 LYS HG2 1 8 LEU HB2 . . 5.500 5.259 4.551 5.501 0.001 16 0 "[ . 1 . 2]" 1
15 1 5 LYS H 1 6 LYS H . . 4.250 4.238 4.213 4.251 0.001 12 0 "[ . 1 . 2]" 1
16 1 5 LYS H 1 5 LYS HB2 . . 4.000 2.789 2.443 3.076 . 0 0 "[ . 1 . 2]" 1
17 1 5 LYS H 1 5 LYS HD2 . . 5.000 4.872 4.201 4.995 . 0 0 "[ . 1 . 2]" 1
18 1 5 LYS H 1 5 LYS HG2 . . 5.000 4.636 4.407 4.866 . 0 0 "[ . 1 . 2]" 1
19 1 5 LYS H 1 5 LYS HE2 . . 5.000 4.775 4.263 4.979 . 0 0 "[ . 1 . 2]" 1
20 1 6 LYS HA 1 7 VAL H . . 3.500 2.931 2.657 3.480 . 0 0 "[ . 1 . 2]" 1
21 1 6 LYS HB2 1 7 VAL H . . 4.400 4.202 2.906 4.401 0.001 15 0 "[ . 1 . 2]" 1
22 1 6 LYS HG2 1 7 VAL H . . 5.000 4.053 2.067 4.960 . 0 0 "[ . 1 . 2]" 1
23 1 6 LYS H 1 7 VAL H . . 3.500 2.713 1.905 3.166 . 0 0 "[ . 1 . 2]" 1
24 1 6 LYS H 1 6 LYS HB2 . . 4.000 3.329 2.619 3.801 . 0 0 "[ . 1 . 2]" 1
25 1 6 LYS H 1 6 LYS HG2 . . 5.000 2.214 1.956 2.761 . 0 0 "[ . 1 . 2]" 1
26 1 6 LYS H 1 6 LYS HD2 . . 5.000 3.304 2.277 4.999 . 0 0 "[ . 1 . 2]" 1
27 1 6 LYS H 1 6 LYS HE2 . . 5.000 4.675 3.529 4.982 . 0 0 "[ . 1 . 2]" 1
28 1 7 VAL HA 1 8 LEU H . . 3.500 2.225 2.183 2.379 . 0 0 "[ . 1 . 2]" 1
29 1 7 VAL HB 1 8 LEU H . . 4.000 3.010 2.450 3.964 . 0 0 "[ . 1 . 2]" 1
30 1 7 VAL MG2 1 8 LEU H . . 5.000 3.858 3.429 4.028 . 0 0 "[ . 1 . 2]" 1
31 1 7 VAL HB 1 9 THR H . . 5.200 4.910 4.079 5.201 0.001 17 0 "[ . 1 . 2]" 1
32 1 6 LYS H 1 7 VAL MG2 . . 5.000 3.257 2.906 3.799 . 0 0 "[ . 1 . 2]" 1
33 1 7 VAL H 1 8 LEU H . . 4.400 4.341 4.257 4.402 0.002 10 0 "[ . 1 . 2]" 1
34 1 7 VAL H 1 7 VAL HB . . 4.000 3.765 2.819 3.940 . 0 0 "[ . 1 . 2]" 1
35 1 8 LEU HA 1 9 THR H . . 3.500 2.730 2.157 3.009 . 0 0 "[ . 1 . 2]" 1
36 1 8 LEU HB2 1 9 THR H . . 4.600 4.334 3.935 4.603 0.003 9 0 "[ . 1 . 2]" 1
37 1 8 LEU HB3 1 9 THR H . . 4.500 4.233 3.998 4.501 0.001 15 0 "[ . 1 . 2]" 1
38 1 8 LEU MD1 1 9 THR H . . 5.000 4.450 2.777 5.012 0.012 10 0 "[ . 1 . 2]" 1
39 1 8 LEU MD2 1 9 THR H . . 5.200 4.671 3.626 5.216 0.016 10 0 "[ . 1 . 2]" 1
40 1 8 LEU H 1 9 THR H . . 4.200 3.025 2.663 4.204 0.004 16 0 "[ . 1 . 2]" 1
41 1 8 LEU H 1 8 LEU HB2 . . 4.000 3.130 2.706 3.579 . 0 0 "[ . 1 . 2]" 1
42 1 8 LEU H 1 8 LEU HB3 . . 4.000 3.551 2.476 4.048 0.048 2 0 "[ . 1 . 2]" 1
43 1 8 LEU H 1 8 LEU HG . . 5.000 4.546 2.485 5.001 0.001 1 0 "[ . 1 . 2]" 1
44 1 8 LEU H 1 8 LEU MD1 . . 5.000 4.144 3.367 4.727 . 0 0 "[ . 1 . 2]" 1
45 1 8 LEU H 1 8 LEU MD2 . . 5.000 3.496 2.023 4.973 . 0 0 "[ . 1 . 2]" 1
46 1 9 THR HA 1 12 GLU HG2 . . 6.500 6.507 6.501 6.527 0.027 10 0 "[ . 1 . 2]" 1
47 1 9 THR HA 1 12 GLU HB3 . . 5.800 4.709 4.634 4.790 . 0 0 "[ . 1 . 2]" 1
48 1 9 THR HB 1 11 GLU HG3 . . 5.000 4.287 3.052 4.991 . 0 0 "[ . 1 . 2]" 1
49 1 9 THR HA 1 13 GLN H . . 5.900 5.322 5.142 5.500 . 0 0 "[ . 1 . 2]" 1
50 1 9 THR HA 1 12 GLU H . . 4.850 4.673 4.595 4.789 . 0 0 "[ . 1 . 2]" 1
51 1 9 THR HB 1 12 GLU H . . 4.000 3.549 3.186 3.805 . 0 0 "[ . 1 . 2]" 1
52 1 9 THR HA 1 11 GLU H . . 4.800 4.409 4.313 4.486 . 0 0 "[ . 1 . 2]" 1
53 1 9 THR HB 1 11 GLU H . . 5.000 2.461 2.353 2.610 . 0 0 "[ . 1 . 2]" 1
54 1 9 THR MG 1 10 ALA H . . 5.000 2.763 2.058 3.209 . 0 0 "[ . 1 . 2]" 1
55 1 9 THR HA 1 10 ALA H . . 3.500 2.480 2.462 2.484 . 0 0 "[ . 1 . 2]" 1
56 1 9 THR HB 1 10 ALA H . . 4.000 2.427 2.267 2.867 . 0 0 "[ . 1 . 2]" 1
57 1 9 THR H 1 13 GLN H . . 5.000 4.266 3.974 4.697 . 0 0 "[ . 1 . 2]" 1
58 1 9 THR H 1 12 GLU H . . 4.100 3.226 3.114 3.392 . 0 0 "[ . 1 . 2]" 1
59 1 9 THR H 1 10 ALA H . . 4.500 4.450 4.434 4.501 0.001 13 0 "[ . 1 . 2]" 1
60 1 9 THR H 1 9 THR HB . . 4.000 3.511 3.047 3.693 . 0 0 "[ . 1 . 2]" 1
61 1 10 ALA HA 1 12 GLU H . . 5.000 4.263 4.074 4.571 . 0 0 "[ . 1 . 2]" 1
62 1 10 ALA HA 1 13 GLN HB2 . . 4.500 3.010 2.704 3.662 . 0 0 "[ . 1 . 2]" 1
63 1 10 ALA HA 1 13 GLN HG2 . . 5.400 5.350 4.987 5.408 0.008 2 0 "[ . 1 . 2]" 1
64 1 10 ALA MB 1 12 GLU H . . 5.000 4.547 4.440 4.725 . 0 0 "[ . 1 . 2]" 1
65 1 10 ALA MB 1 14 GLN H . . 5.000 4.371 4.294 4.454 . 0 0 "[ . 1 . 2]" 1
66 1 10 ALA MB 1 13 GLN H . . 4.700 4.546 4.490 4.675 . 0 0 "[ . 1 . 2]" 1
67 1 10 ALA MB 1 11 GLU H . . 4.000 2.648 2.544 2.808 . 0 0 "[ . 1 . 2]" 1
68 1 10 ALA HA 1 14 GLN H . . 4.300 4.041 3.917 4.122 . 0 0 "[ . 1 . 2]" 1
69 1 10 ALA HA 1 13 GLN H . . 3.500 3.349 3.291 3.483 . 0 0 "[ . 1 . 2]" 1
70 1 10 ALA HA 1 11 GLU H . . 3.500 3.530 3.513 3.541 0.041 20 0 "[ . 1 . 2]" 1
71 1 10 ALA H 1 12 GLU H . . 4.600 4.353 4.224 4.535 . 0 0 "[ . 1 . 2]" 1
72 1 10 ALA H 1 11 GLU H . . 3.500 2.808 2.781 2.829 . 0 0 "[ . 1 . 2]" 1
73 1 11 GLU HA 1 14 GLN HB2 . . 5.300 4.779 3.330 5.039 . 0 0 "[ . 1 . 2]" 1
74 1 11 GLU HB3 1 15 GLU HG3 . . 4.500 3.681 3.270 4.216 . 0 0 "[ . 1 . 2]" 1
75 1 11 GLU HB3 1 15 GLU H . . 5.200 5.011 4.921 5.127 . 0 0 "[ . 1 . 2]" 1
76 1 11 GLU H 1 13 GLN H . . 4.400 4.252 4.091 4.407 0.007 17 0 "[ . 1 . 2]" 1
77 1 11 GLU HA 1 15 GLU H . . 4.200 3.975 3.876 4.180 . 0 0 "[ . 1 . 2]" 1
78 1 11 GLU HA 1 14 GLN H . . 4.100 3.801 3.744 3.912 . 0 0 "[ . 1 . 2]" 1
79 1 11 GLU H 1 12 GLU HA . . 5.400 5.344 5.288 5.408 0.008 16 0 "[ . 1 . 2]" 1
80 1 11 GLU HA 1 12 GLU H . . 3.500 3.532 3.505 3.559 0.059 2 0 "[ . 1 . 2]" 1
81 1 11 GLU HB2 1 12 GLU H . . 4.000 2.774 2.597 3.149 . 0 0 "[ . 1 . 2]" 1
82 1 11 GLU HB3 1 12 GLU H . . 4.000 3.413 3.018 3.754 . 0 0 "[ . 1 . 2]" 1
83 1 11 GLU H 1 12 GLU H . . 3.500 2.750 2.678 2.838 . 0 0 "[ . 1 . 2]" 1
84 1 11 GLU H 1 11 GLU HB2 . . 4.000 2.314 2.070 2.617 . 0 0 "[ . 1 . 2]" 1
85 1 11 GLU H 1 11 GLU HB3 . . 4.000 3.527 3.331 3.591 . 0 0 "[ . 1 . 2]" 1
86 1 11 GLU H 1 11 GLU HG2 . . 5.000 3.310 2.199 4.147 . 0 0 "[ . 1 . 2]" 1
87 1 12 GLU HB3 1 16 TYR H . . 6.000 5.835 5.758 5.891 . 0 0 "[ . 1 . 2]" 1
88 1 9 THR H 1 12 GLU HG2 . . 5.000 4.130 3.927 4.514 . 0 0 "[ . 1 . 2]" 1
89 1 12 GLU HG2 1 76 MET ME . . 5.000 2.628 1.886 4.168 . 0 0 "[ . 1 . 2]" 1
90 1 12 GLU HA 1 15 GLU HB2 . . 4.500 2.356 2.181 2.489 . 0 0 "[ . 1 . 2]" 1
91 1 12 GLU HG3 1 16 TYR HB3 . . 5.500 4.856 3.469 5.520 0.020 16 0 "[ . 1 . 2]" 1
92 1 12 GLU HG2 1 16 TYR H . . 5.200 5.199 5.158 5.217 0.017 16 0 "[ . 1 . 2]" 1
93 1 12 GLU HA 1 16 TYR H . . 4.400 4.016 3.829 4.177 . 0 0 "[ . 1 . 2]" 1
94 1 12 GLU HB2 1 15 GLU H . . 5.800 5.736 5.609 5.804 0.004 9 0 "[ . 1 . 2]" 1
95 1 12 GLU HA 1 15 GLU H . . 3.700 3.542 3.406 3.621 . 0 0 "[ . 1 . 2]" 1
96 1 12 GLU HA 1 13 GLN H . . 3.500 3.540 3.523 3.560 0.060 16 0 "[ . 1 . 2]" 1
97 1 12 GLU HB2 1 13 GLN H . . 4.300 3.958 3.888 4.012 . 0 0 "[ . 1 . 2]" 1
98 1 12 GLU HB3 1 13 GLN H . . 4.000 2.624 2.497 2.725 . 0 0 "[ . 1 . 2]" 1
99 1 12 GLU H 1 13 GLN H . . 3.500 2.631 2.553 2.776 . 0 0 "[ . 1 . 2]" 1
100 1 12 GLU H 1 12 GLU HB2 . . 4.000 2.713 2.666 2.765 . 0 0 "[ . 1 . 2]" 1
101 1 12 GLU H 1 12 GLU HB3 . . 4.000 2.362 2.313 2.392 . 0 0 "[ . 1 . 2]" 1
102 1 12 GLU H 1 12 GLU HG2 . . 5.000 4.387 4.325 4.434 . 0 0 "[ . 1 . 2]" 1
103 1 13 GLN HA 1 16 TYR QD . . 5.000 4.047 1.983 4.983 . 0 0 "[ . 1 . 2]" 1
104 1 13 GLN HG2 1 73 LEU HG . . 5.000 4.445 2.980 5.004 0.004 19 0 "[ . 1 . 2]" 1
105 1 13 GLN HG2 1 76 MET ME . . 5.000 4.322 3.647 4.660 . 0 0 "[ . 1 . 2]" 1
106 1 13 GLN QG 1 17 LYS HD2 . . 5.000 4.960 4.695 5.027 0.027 2 0 "[ . 1 . 2]" 1
107 1 13 GLN QG 1 16 TYR QD . . 5.200 4.887 3.123 5.285 0.085 17 0 "[ . 1 . 2]" 1
108 1 13 GLN HA 1 16 TYR HB3 . . 4.700 3.770 3.249 4.521 . 0 0 "[ . 1 . 2]" 1
109 1 13 GLN HB3 1 16 TYR H . . 5.700 5.525 5.254 5.706 0.006 2 0 "[ . 1 . 2]" 1
110 1 13 GLN HG2 1 14 GLN H . . 5.000 4.238 3.294 4.654 . 0 0 "[ . 1 . 2]" 1
111 1 13 GLN HB3 1 14 GLN H . . 4.000 2.390 2.310 2.568 . 0 0 "[ . 1 . 2]" 1
112 1 13 GLN HB2 1 14 GLN H . . 4.000 3.466 3.061 3.815 . 0 0 "[ . 1 . 2]" 1
113 1 13 GLN HA 1 17 LYS H . . 4.500 4.092 3.889 4.210 . 0 0 "[ . 1 . 2]" 1
114 1 13 GLN HA 1 16 TYR H . . 3.900 3.710 3.540 3.844 . 0 0 "[ . 1 . 2]" 1
115 1 13 GLN HA 1 14 GLN H . . 3.500 3.563 3.559 3.565 0.065 10 0 "[ . 1 . 2]" 1
116 1 13 GLN H 1 14 GLN H . . 3.500 2.823 2.760 2.923 . 0 0 "[ . 1 . 2]" 1
117 1 13 GLN H 1 13 GLN HB2 . . 4.000 2.265 2.061 2.620 . 0 0 "[ . 1 . 2]" 1
118 1 13 GLN H 1 13 GLN HB3 . . 4.000 2.855 2.430 3.235 . 0 0 "[ . 1 . 2]" 1
119 1 13 GLN H 1 13 GLN HG2 . . 5.000 4.507 4.369 4.662 . 0 0 "[ . 1 . 2]" 1
120 1 14 GLN HA 1 17 LYS HD2 . . 5.200 5.058 3.587 5.233 0.033 2 0 "[ . 1 . 2]" 1
121 1 14 GLN HA 1 17 LYS HE2 . . 4.500 3.754 2.845 4.501 0.001 9 0 "[ . 1 . 2]" 1
122 1 14 GLN HA 1 17 LYS HG2 . . 5.000 4.062 1.967 4.436 . 0 0 "[ . 1 . 2]" 1
123 1 14 GLN HB2 1 18 GLU HB3 . . 5.000 4.741 4.259 5.039 0.039 16 0 "[ . 1 . 2]" 1
124 1 14 GLN HB3 1 17 LYS HG3 . . 5.000 4.866 4.556 5.062 0.062 10 0 "[ . 1 . 2]" 1
125 1 14 GLN HA 1 17 LYS HB3 . . 4.500 4.037 3.610 4.435 . 0 0 "[ . 1 . 2]" 1
126 1 14 GLN HA 1 18 GLU H . . 4.200 3.873 3.656 4.000 . 0 0 "[ . 1 . 2]" 1
127 1 14 GLN HA 1 17 LYS H . . 3.700 3.433 3.326 3.645 . 0 0 "[ . 1 . 2]" 1
128 1 14 GLN HB2 1 17 LYS H . . 5.800 5.419 5.269 5.698 . 0 0 "[ . 1 . 2]" 1
129 1 14 GLN HA 1 15 GLU H . . 3.500 3.528 3.490 3.540 0.040 8 0 "[ . 1 . 2]" 1
130 1 14 GLN HB3 1 15 GLU H . . 4.000 3.946 3.892 4.029 0.029 7 0 "[ . 1 . 2]" 1
131 1 14 GLN HB2 1 15 GLU H . . 4.000 3.650 2.676 3.925 . 0 0 "[ . 1 . 2]" 1
132 1 14 GLN H 1 16 TYR H . . 4.600 4.249 4.084 4.421 . 0 0 "[ . 1 . 2]" 1
133 1 14 GLN H 1 15 GLU H . . 3.500 2.650 2.576 2.702 . 0 0 "[ . 1 . 2]" 1
134 1 14 GLN H 1 14 GLN HB2 . . 4.000 3.546 2.718 3.594 . 0 0 "[ . 1 . 2]" 1
135 1 14 GLN H 1 14 GLN HB3 . . 4.000 2.647 2.519 3.575 . 0 0 "[ . 1 . 2]" 1
136 1 15 GLU HA 1 19 ALA H . . 5.000 4.209 3.923 4.330 . 0 0 "[ . 1 . 2]" 1
137 1 15 GLU HA 1 18 GLU QG . . 4.500 2.993 2.027 4.530 0.030 6 0 "[ . 1 . 2]" 1
138 1 15 GLU HA 1 18 GLU HB3 . . 4.500 3.974 2.811 4.510 0.010 2 0 "[ . 1 . 2]" 1
139 1 15 GLU HA 1 18 GLU H . . 4.100 3.869 3.679 4.032 . 0 0 "[ . 1 . 2]" 1
140 1 15 GLU HA 1 16 TYR H . . 3.500 3.537 3.499 3.554 0.054 2 0 "[ . 1 . 2]" 1
141 1 15 GLU HB2 1 16 TYR H . . 4.000 2.792 2.672 2.987 . 0 0 "[ . 1 . 2]" 1
142 1 15 GLU HB3 1 18 GLU H . . 5.800 5.689 5.488 5.837 0.037 19 0 "[ . 1 . 2]" 1
143 1 15 GLU HB3 1 19 ALA H . . 5.300 5.221 5.079 5.311 0.011 2 0 "[ . 1 . 2]" 1
144 1 15 GLU HB3 1 16 TYR H . . 4.000 3.263 3.119 3.497 . 0 0 "[ . 1 . 2]" 1
145 1 15 GLU H 1 17 LYS H . . 4.400 4.175 3.840 4.426 0.026 10 0 "[ . 1 . 2]" 1
146 1 15 GLU H 1 16 TYR H . . 3.500 2.724 2.571 2.790 . 0 0 "[ . 1 . 2]" 1
147 1 15 GLU H 1 15 GLU HB2 . . 4.000 2.205 2.100 2.308 . 0 0 "[ . 1 . 2]" 1
148 1 15 GLU H 1 15 GLU HB3 . . 4.000 3.502 3.405 3.555 . 0 0 "[ . 1 . 2]" 1
149 1 16 TYR HB3 1 69 GLN HG2 . . 7.000 6.358 5.232 7.016 0.016 17 0 "[ . 1 . 2]" 1
150 1 16 TYR HB3 1 39 VAL MG2 . . 6.300 5.971 4.903 6.314 0.014 19 0 "[ . 1 . 2]" 1
151 1 16 TYR HB3 1 73 LEU HG . . 5.300 5.064 4.375 5.324 0.024 11 0 "[ . 1 . 2]" 1
152 1 16 TYR HB3 1 73 LEU MD1 . . 5.300 4.352 3.345 5.172 . 0 0 "[ . 1 . 2]" 1
153 1 16 TYR HB2 1 19 ALA H . . 5.700 5.488 5.391 5.569 . 0 0 "[ . 1 . 2]" 1
154 1 16 TYR HA 1 19 ALA MB . . 4.500 2.287 2.035 2.605 . 0 0 "[ . 1 . 2]" 1
155 1 16 TYR HB2 1 17 LYS H . . 4.200 3.435 2.735 4.223 0.023 2 0 "[ . 1 . 2]" 1
156 1 16 TYR HA 1 20 PHE H . . 4.300 3.965 3.694 4.281 . 0 0 "[ . 1 . 2]" 1
157 1 16 TYR HA 1 19 ALA H . . 3.500 3.292 3.203 3.447 . 0 0 "[ . 1 . 2]" 1
158 1 16 TYR HA 1 17 LYS H . . 3.500 3.539 3.488 3.565 0.065 10 0 "[ . 1 . 2]" 1
159 1 16 TYR H 1 18 GLU H . . 4.400 4.158 3.928 4.309 . 0 0 "[ . 1 . 2]" 1
160 1 16 TYR H 1 17 LYS H . . 3.500 2.560 2.442 2.717 . 0 0 "[ . 1 . 2]" 1
161 1 16 TYR H 1 16 TYR HB2 . . 4.000 2.439 2.094 3.463 . 0 0 "[ . 1 . 2]" 1
162 1 16 TYR H 1 16 TYR HB3 . . 4.000 2.887 2.161 3.493 . 0 0 "[ . 1 . 2]" 1
163 1 17 LYS HD2 1 69 GLN HG2 . . 5.000 4.932 3.697 5.014 0.014 2 0 "[ . 1 . 2]" 1
164 1 17 LYS HA 1 20 PHE HB3 . . 5.500 4.427 3.132 5.508 0.008 7 0 "[ . 1 . 2]" 1
165 1 17 LYS HG2 1 18 GLU H . . 5.000 4.458 2.470 4.727 . 0 0 "[ . 1 . 2]" 1
166 1 17 LYS HB3 1 18 GLU H . . 4.000 3.534 3.272 3.925 . 0 0 "[ . 1 . 2]" 1
167 1 17 LYS HB2 1 20 PHE H . . 6.100 5.894 5.640 5.996 . 0 0 "[ . 1 . 2]" 1
168 1 17 LYS HB2 1 18 GLU H . . 4.000 2.620 2.473 3.669 . 0 0 "[ . 1 . 2]" 1
169 1 17 LYS HA 1 21 GLN H . . 4.500 4.172 3.989 4.361 . 0 0 "[ . 1 . 2]" 1
170 1 17 LYS HA 1 20 PHE H . . 4.200 3.904 3.634 4.005 . 0 0 "[ . 1 . 2]" 1
171 1 17 LYS HA 1 18 GLU H . . 3.500 3.546 3.525 3.558 0.058 5 0 "[ . 1 . 2]" 1
172 1 17 LYS H 1 18 GLU H . . 3.500 2.782 2.611 2.891 . 0 0 "[ . 1 . 2]" 1
173 1 17 LYS H 1 17 LYS HB2 . . 4.000 2.522 2.279 3.588 . 0 0 "[ . 1 . 2]" 1
174 1 17 LYS H 1 17 LYS HB3 . . 4.000 3.530 2.561 3.595 . 0 0 "[ . 1 . 2]" 1
175 1 17 LYS H 1 17 LYS HG2 . . 5.000 2.537 2.053 3.046 . 0 0 "[ . 1 . 2]" 1
176 1 17 LYS H 1 17 LYS HD2 . . 5.000 4.685 4.318 4.932 . 0 0 "[ . 1 . 2]" 1
177 1 17 LYS H 1 17 LYS HE2 . . 5.000 4.878 4.551 5.007 0.007 10 0 "[ . 1 . 2]" 1
178 1 18 GLU HA 1 21 GLN HB2 . . 4.500 3.512 3.179 3.783 . 0 0 "[ . 1 . 2]" 1
179 1 18 GLU HB2 1 21 GLN H . . 5.700 5.455 5.328 5.713 0.013 18 0 "[ . 1 . 2]" 1
180 1 18 GLU HA 1 21 GLN H . . 3.700 3.389 3.286 3.514 . 0 0 "[ . 1 . 2]" 1
181 1 18 GLU HA 1 19 ALA H . . 3.500 3.496 3.490 3.499 . 0 0 "[ . 1 . 2]" 1
182 1 18 GLU HB2 1 19 ALA H . . 4.200 4.010 3.903 4.108 . 0 0 "[ . 1 . 2]" 1
183 1 18 GLU HB3 1 19 ALA H . . 4.000 3.602 2.848 3.990 . 0 0 "[ . 1 . 2]" 1
184 1 18 GLU H 1 19 ALA H . . 3.500 2.474 2.453 2.526 . 0 0 "[ . 1 . 2]" 1
185 1 18 GLU H 1 18 GLU HB2 . . 4.000 3.350 2.726 3.611 . 0 0 "[ . 1 . 2]" 1
186 1 18 GLU H 1 18 GLU HB3 . . 4.000 2.457 2.333 2.601 . 0 0 "[ . 1 . 2]" 1
187 1 19 ALA MB 1 72 PHE HB3 . . 7.100 7.121 7.006 7.194 0.094 17 0 "[ . 1 . 2]" 1
188 1 19 ALA HA 1 22 LEU HB3 . . 4.500 3.261 2.913 3.709 . 0 0 "[ . 1 . 2]" 1
189 1 19 ALA MB 1 23 PHE H . . 5.000 4.982 4.888 5.024 0.024 12 0 "[ . 1 . 2]" 1
190 1 19 ALA HA 1 22 LEU H . . 4.200 3.907 3.750 4.025 . 0 0 "[ . 1 . 2]" 1
191 1 19 ALA MB 1 22 LEU H . . 5.000 4.861 4.769 4.928 . 0 0 "[ . 1 . 2]" 1
192 1 19 ALA HA 1 20 PHE H . . 3.500 3.558 3.527 3.566 0.066 17 0 "[ . 1 . 2]" 1
193 1 19 ALA MB 1 20 PHE H . . 4.000 2.388 2.315 2.605 . 0 0 "[ . 1 . 2]" 1
194 1 19 ALA H 1 20 PHE H . . 3.500 2.763 2.594 2.842 . 0 0 "[ . 1 . 2]" 1
195 1 20 PHE HA 1 39 VAL MG2 . . 5.000 4.688 4.060 5.004 0.004 14 0 "[ . 1 . 2]" 1
196 1 20 PHE HB2 1 69 GLN HA . . 5.700 4.948 4.153 5.625 . 0 0 "[ . 1 . 2]" 1
197 1 20 PHE HB2 1 67 PHE HB2 . . 7.300 7.184 6.684 7.353 0.053 11 0 "[ . 1 . 2]" 1
198 1 20 PHE HB2 1 39 VAL MG2 . . 5.800 5.496 4.923 5.808 0.008 7 0 "[ . 1 . 2]" 1
199 1 20 PHE HB2 1 31 LEU MD1 . . 5.000 2.882 1.879 4.323 . 0 0 "[ . 1 . 2]" 1
200 1 20 PHE HA 1 39 VAL HB . . 5.500 5.028 4.358 5.510 0.010 18 0 "[ . 1 . 2]" 1
201 1 20 PHE HA 1 23 PHE HB2 . . 4.500 2.991 2.314 3.520 . 0 0 "[ . 1 . 2]" 1
202 1 20 PHE HA 1 24 ASP H . . 5.000 4.647 4.226 5.004 0.004 14 0 "[ . 1 . 2]" 1
203 1 20 PHE HA 1 23 PHE H . . 3.500 3.437 3.205 3.509 0.009 2 0 "[ . 1 . 2]" 1
204 1 20 PHE H 1 21 GLN H . . 3.500 2.493 2.460 2.584 . 0 0 "[ . 1 . 2]" 1
205 1 20 PHE HA 1 21 GLN H . . 3.500 3.510 3.497 3.549 0.049 11 0 "[ . 1 . 2]" 1
206 1 20 PHE HB2 1 21 GLN H . . 4.200 3.740 2.628 4.168 . 0 0 "[ . 1 . 2]" 1
207 1 20 PHE H 1 20 PHE HB2 . . 4.000 3.140 2.099 3.552 . 0 0 "[ . 1 . 2]" 1
208 1 20 PHE H 1 20 PHE HB3 . . 4.000 2.611 2.092 3.601 . 0 0 "[ . 1 . 2]" 1
209 1 21 GLN HA 1 29 ASN H . . 5.900 5.858 5.292 5.976 0.076 19 0 "[ . 1 . 2]" 1
210 1 21 GLN HG2 1 23 PHE H . . 5.200 5.220 5.209 5.240 0.040 12 0 "[ . 1 . 2]" 1
211 1 21 GLN HG2 1 22 LEU H . . 5.000 3.349 3.274 3.446 . 0 0 "[ . 1 . 2]" 1
212 1 21 GLN HA 1 24 ASP H . . 4.400 3.567 3.339 3.806 . 0 0 "[ . 1 . 2]" 1
213 1 21 GLN HA 1 23 PHE H . . 5.000 4.262 4.158 4.388 . 0 0 "[ . 1 . 2]" 1
214 1 21 GLN HA 1 22 LEU H . . 3.500 3.549 3.538 3.555 0.055 2 0 "[ . 1 . 2]" 1
215 1 21 GLN H 1 22 LEU H . . 3.500 2.683 2.601 2.815 . 0 0 "[ . 1 . 2]" 1
216 1 21 GLN H 1 21 GLN HB2 . . 4.000 2.702 2.641 2.741 . 0 0 "[ . 1 . 2]" 1
217 1 21 GLN H 1 21 GLN HG2 . . 5.000 4.332 4.309 4.374 . 0 0 "[ . 1 . 2]" 1
218 1 22 LEU MD2 1 23 PHE HB3 . . 5.000 4.790 4.560 4.964 . 0 0 "[ . 1 . 2]" 1
219 1 22 LEU HG 1 25 LYS H . . 6.500 6.424 6.000 6.509 0.009 2 0 "[ . 1 . 2]" 1
220 1 22 LEU HA 1 23 PHE H . . 3.500 3.499 3.496 3.520 0.020 2 0 "[ . 1 . 2]" 1
221 1 22 LEU HB2 1 23 PHE H . . 4.100 4.065 3.948 4.098 . 0 0 "[ . 1 . 2]" 1
222 1 22 LEU HB3 1 23 PHE H . . 4.000 2.830 2.729 2.856 . 0 0 "[ . 1 . 2]" 1
223 1 22 LEU MD1 1 23 PHE H . . 5.000 4.927 4.847 4.990 . 0 0 "[ . 1 . 2]" 1
224 1 22 LEU MD2 1 23 PHE H . . 5.000 3.329 3.047 3.531 . 0 0 "[ . 1 . 2]" 1
225 1 22 LEU HG 1 23 PHE H . . 5.000 4.149 3.966 4.628 . 0 0 "[ . 1 . 2]" 1
226 1 22 LEU H 1 24 ASP H . . 4.100 3.923 3.819 4.055 . 0 0 "[ . 1 . 2]" 1
227 1 22 LEU H 1 23 PHE H . . 3.500 2.584 2.485 2.691 . 0 0 "[ . 1 . 2]" 1
228 1 22 LEU H 1 22 LEU HB2 . . 4.000 2.671 2.490 2.737 . 0 0 "[ . 1 . 2]" 1
229 1 22 LEU H 1 22 LEU HB3 . . 4.000 2.359 2.310 2.533 . 0 0 "[ . 1 . 2]" 1
230 1 22 LEU H 1 22 LEU HG . . 5.000 4.433 4.418 4.464 . 0 0 "[ . 1 . 2]" 1
231 1 22 LEU H 1 22 LEU MD1 . . 5.000 4.294 4.172 4.336 . 0 0 "[ . 1 . 2]" 1
232 1 22 LEU H 1 22 LEU MD2 . . 5.000 4.002 3.922 4.129 . 0 0 "[ . 1 . 2]" 1
233 1 23 PHE HB2 1 38 THR MG . . 5.400 5.357 4.861 5.419 0.019 17 0 "[ . 1 . 2]" 1
234 1 23 PHE HB2 1 31 LEU MD2 . . 5.000 3.371 1.956 5.028 0.028 12 0 "[ . 1 . 2]" 1
235 1 23 PHE HA 1 31 LEU MD1 . . 5.000 4.776 4.074 5.017 0.017 11 0 "[ . 1 . 2]" 1
236 1 23 PHE HB2 1 35 GLU HB3 . . 5.000 4.593 3.918 5.018 0.018 10 0 "[ . 1 . 2]" 1
237 1 23 PHE HB3 1 25 LYS H . . 5.800 5.501 4.876 5.838 0.038 9 0 "[ . 1 . 2]" 1
238 1 23 PHE HB3 1 24 ASP HA . . 5.400 4.413 4.094 4.621 . 0 0 "[ . 1 . 2]" 1
239 1 23 PHE HA 1 24 ASP H . . 3.500 3.241 3.072 3.391 . 0 0 "[ . 1 . 2]" 1
240 1 23 PHE HB2 1 24 ASP H . . 4.000 3.882 3.564 4.029 0.029 4 0 "[ . 1 . 2]" 1
241 1 23 PHE HB3 1 24 ASP H . . 4.200 3.805 3.255 4.210 0.010 14 0 "[ . 1 . 2]" 1
242 1 23 PHE H 1 24 ASP H . . 3.500 2.489 2.353 2.641 . 0 0 "[ . 1 . 2]" 1
243 1 23 PHE H 1 23 PHE HB2 . . 4.000 2.236 2.139 2.417 . 0 0 "[ . 1 . 2]" 1
244 1 23 PHE H 1 23 PHE HB3 . . 4.000 3.236 2.772 3.571 . 0 0 "[ . 1 . 2]" 1
245 1 24 ASP HB2 1 31 LEU MD1 . . 5.000 2.437 1.882 4.205 . 0 0 "[ . 1 . 2]" 1
246 1 24 ASP HB2 1 29 ASN H . . 5.000 4.581 4.002 5.001 0.001 3 0 "[ . 1 . 2]" 1
247 1 24 ASP HA 1 25 LYS H . . 3.500 2.473 2.354 2.570 . 0 0 "[ . 1 . 2]" 1
248 1 24 ASP HB3 1 25 LYS H . . 4.400 4.389 4.266 4.433 0.033 6 0 "[ . 1 . 2]" 1
249 1 24 ASP HB2 1 25 LYS H . . 4.700 4.645 4.531 4.664 . 0 0 "[ . 1 . 2]" 1
250 1 24 ASP H 1 25 LYS H . . 3.700 3.381 2.976 3.598 . 0 0 "[ . 1 . 2]" 1
251 1 24 ASP H 1 24 ASP HB2 . . 4.000 2.878 2.360 3.200 . 0 0 "[ . 1 . 2]" 1
252 1 24 ASP H 1 24 ASP HB3 . . 4.000 2.847 2.500 3.594 . 0 0 "[ . 1 . 2]" 1
253 1 25 LYS HA 1 26 ASP H . . 3.500 3.468 3.382 3.503 0.003 20 0 "[ . 1 . 2]" 1
254 1 25 LYS HB2 1 26 ASP H . . 4.000 3.516 2.854 4.002 0.002 4 0 "[ . 1 . 2]" 1
255 1 25 LYS HB3 1 26 ASP H . . 4.000 3.685 3.050 4.003 0.003 4 0 "[ . 1 . 2]" 1
256 1 25 LYS HE2 1 26 ASP H . . 5.200 4.653 3.641 5.182 . 0 0 "[ . 1 . 2]" 1
257 1 25 LYS H 1 26 ASP H . . 3.500 2.620 2.304 2.771 . 0 0 "[ . 1 . 2]" 1
258 1 25 LYS H 1 25 LYS HB2 . . 4.000 2.748 2.083 3.601 . 0 0 "[ . 1 . 2]" 1
259 1 25 LYS H 1 25 LYS HB3 . . 4.000 3.025 2.373 3.592 . 0 0 "[ . 1 . 2]" 1
260 1 25 LYS H 1 25 LYS HG2 . . 5.000 3.405 2.234 4.633 . 0 0 "[ . 1 . 2]" 1
261 1 25 LYS H 1 25 LYS HE2 . . 5.000 3.599 2.054 4.928 . 0 0 "[ . 1 . 2]" 1
262 1 26 ASP HA 1 27 ASN H . . 3.500 3.078 2.713 3.542 0.042 9 0 "[ . 1 . 2]" 1
263 1 26 ASP H 1 26 ASP HB2 . . 4.000 2.676 2.073 3.632 . 0 0 "[ . 1 . 2]" 1
264 1 26 ASP H 1 26 ASP HB3 . . 4.000 3.311 2.611 3.661 . 0 0 "[ . 1 . 2]" 1
265 1 27 ASN HA 1 28 ASP H . . 3.500 2.861 2.628 3.057 . 0 0 "[ . 1 . 2]" 1
266 1 27 ASN HB2 1 28 ASP H . . 4.700 4.465 4.168 4.617 . 0 0 "[ . 1 . 2]" 1
267 1 27 ASN HB3 1 28 ASP H . . 4.300 4.148 3.947 4.308 0.008 15 0 "[ . 1 . 2]" 1
268 1 27 ASN H 1 29 ASN H . . 4.600 4.436 3.846 4.637 0.037 5 0 "[ . 1 . 2]" 1
269 1 27 ASN H 1 28 ASP H . . 3.500 2.579 1.880 2.779 . 0 0 "[ . 1 . 2]" 1
270 1 27 ASN H 1 27 ASN HB2 . . 4.000 2.870 2.351 3.208 . 0 0 "[ . 1 . 2]" 1
271 1 27 ASN H 1 27 ASN HB3 . . 4.000 3.442 2.680 3.913 . 0 0 "[ . 1 . 2]" 1
272 1 28 ASP HB3 1 29 ASN H . . 4.500 3.912 3.175 4.442 . 0 0 "[ . 1 . 2]" 1
273 1 28 ASP HB2 1 29 ASN H . . 4.600 3.298 2.911 3.780 . 0 0 "[ . 1 . 2]" 1
274 1 28 ASP HA 1 29 ASN H . . 3.500 3.400 3.221 3.493 . 0 0 "[ . 1 . 2]" 1
275 1 28 ASP H 1 30 LYS H . . 4.500 3.853 3.285 4.275 . 0 0 "[ . 1 . 2]" 1
276 1 28 ASP H 1 29 ASN H . . 3.500 2.299 2.082 2.527 . 0 0 "[ . 1 . 2]" 1
277 1 28 ASP H 1 28 ASP HB2 . . 4.000 2.446 2.105 2.810 . 0 0 "[ . 1 . 2]" 1
278 1 28 ASP H 1 28 ASP HB3 . . 4.000 3.522 2.956 3.705 . 0 0 "[ . 1 . 2]" 1
279 1 29 ASN HA 1 69 GLN HG2 . . 5.900 5.723 5.167 5.924 0.024 10 0 "[ . 1 . 2]" 1
280 1 29 ASN H 1 30 LYS HA . . 5.300 5.233 5.168 5.312 0.012 10 0 "[ . 1 . 2]" 1
281 1 29 ASN H 1 30 LYS HB3 . . 6.400 6.186 5.063 6.454 0.054 18 0 "[ . 1 . 2]" 1
282 1 29 ASN H 1 30 LYS HB2 . . 6.200 5.149 4.681 5.628 . 0 0 "[ . 1 . 2]" 1
283 1 29 ASN HA 1 30 LYS H . . 3.500 3.015 2.847 3.126 . 0 0 "[ . 1 . 2]" 1
284 1 29 ASN HB2 1 30 LYS H . . 4.600 4.203 3.880 4.499 . 0 0 "[ . 1 . 2]" 1
285 1 29 ASN HB3 1 30 LYS H . . 4.600 4.178 3.896 4.561 . 0 0 "[ . 1 . 2]" 1
286 1 29 ASN H 1 30 LYS H . . 3.500 2.624 2.565 2.697 . 0 0 "[ . 1 . 2]" 1
287 1 29 ASN H 1 29 ASN HB2 . . 4.000 3.287 3.035 3.785 . 0 0 "[ . 1 . 2]" 1
288 1 29 ASN H 1 29 ASN HB3 . . 4.000 3.942 3.837 4.000 0.000 20 0 "[ . 1 . 2]" 1
289 1 30 LYS HG2 1 68 ASP HB3 . . 6.300 4.419 2.143 5.569 . 0 0 "[ . 1 . 2]" 1
290 1 30 LYS HB2 1 66 LYS HB3 . . 6.000 3.546 3.045 4.978 . 0 0 "[ . 1 . 2]" 1
291 1 30 LYS HG2 1 66 LYS HG2 . . 6.200 5.197 3.413 6.200 0.000 14 0 "[ . 1 . 2]" 1
292 1 30 LYS HB2 1 68 ASP HB2 . . 5.800 5.495 5.185 5.848 0.048 17 0 "[ . 1 . 2]" 1
293 1 30 LYS HE2 1 68 ASP HB2 . . 5.000 3.824 1.994 5.011 0.011 17 0 "[ . 1 . 2]" 1
294 1 30 LYS HB2 1 67 PHE H . . 6.200 4.403 3.848 6.046 . 0 0 "[ . 1 . 2]" 1
295 1 30 LYS QB 1 68 ASP HA . . 4.500 3.724 3.363 4.349 . 0 0 "[ . 1 . 2]" 1
296 1 30 LYS HA 1 68 ASP HB2 . . 5.200 4.798 4.673 4.937 . 0 0 "[ . 1 . 2]" 1
297 1 30 LYS HB3 1 68 ASP HB3 . . 5.700 5.584 4.337 5.733 0.033 14 0 "[ . 1 . 2]" 1
298 1 30 LYS HA 1 68 ASP HA . . 3.500 2.937 2.738 3.129 . 0 0 "[ . 1 . 2]" 1
299 1 30 LYS H 1 31 LEU MD1 . . 5.000 3.870 3.541 4.530 . 0 0 "[ . 1 . 2]" 1
300 1 30 LYS HB2 1 68 ASP H . . 6.400 6.432 6.272 6.490 0.090 5 0 "[ . 1 . 2]" 1
301 1 30 LYS HA 1 31 LEU H . . 3.500 2.410 2.277 2.486 . 0 0 "[ . 1 . 2]" 1
302 1 30 LYS HB2 1 31 LEU H . . 4.000 3.635 3.243 3.978 . 0 0 "[ . 1 . 2]" 1
303 1 30 LYS HB3 1 31 LEU H . . 4.000 2.618 2.252 3.959 . 0 0 "[ . 1 . 2]" 1
304 1 30 LYS HE2 1 31 LEU H . . 6.300 5.374 3.551 6.302 0.002 13 0 "[ . 1 . 2]" 1
305 1 30 LYS HG2 1 31 LEU H . . 5.000 3.875 2.266 4.607 . 0 0 "[ . 1 . 2]" 1
306 1 30 LYS H 1 31 LEU H . . 4.400 4.401 4.358 4.432 0.032 7 0 "[ . 1 . 2]" 1
307 1 30 LYS H 1 30 LYS HB2 . . 4.000 2.909 2.726 3.444 . 0 0 "[ . 1 . 2]" 1
308 1 30 LYS H 1 30 LYS HB3 . . 4.000 3.719 2.805 3.943 . 0 0 "[ . 1 . 2]" 1
309 1 30 LYS H 1 30 LYS HG2 . . 5.000 4.264 3.270 4.931 . 0 0 "[ . 1 . 2]" 1
310 1 30 LYS H 1 30 LYS HE2 . . 5.800 5.544 4.977 5.815 0.015 13 0 "[ . 1 . 2]" 1
311 1 31 LEU MD1 1 35 GLU HB2 . . 5.000 3.637 2.490 4.162 . 0 0 "[ . 1 . 2]" 1
312 1 31 LEU MD1 1 36 LEU MD1 . . 6.100 5.569 5.143 6.122 0.022 20 0 "[ . 1 . 2]" 1
313 1 31 LEU HA 1 68 ASP HA . . 6.900 6.812 6.186 6.956 0.056 6 0 "[ . 1 . 2]" 1
314 1 31 LEU MD1 1 67 PHE HB2 . . 5.500 5.079 4.173 5.506 0.006 8 0 "[ . 1 . 2]" 1
315 1 31 LEU MD1 1 36 LEU HA . . 5.500 5.281 5.037 5.527 0.027 11 0 "[ . 1 . 2]" 1
316 1 31 LEU MD2 1 67 PHE HB2 . . 5.000 4.519 3.658 5.016 0.016 20 0 "[ . 1 . 2]" 1
317 1 31 LEU H 1 67 PHE H . . 5.000 2.384 1.918 3.051 . 0 0 "[ . 1 . 2]" 1
318 1 31 LEU H 1 68 ASP HA . . 5.000 4.035 3.378 4.225 . 0 0 "[ . 1 . 2]" 1
319 1 31 LEU HA 1 67 PHE QB . . 5.000 4.565 4.330 4.888 . 0 0 "[ . 1 . 2]" 1
320 1 31 LEU HB2 1 67 PHE HB2 . . 5.000 3.181 2.489 3.728 . 0 0 "[ . 1 . 2]" 1
321 1 31 LEU H 1 67 PHE HB2 . . 5.000 3.448 2.795 4.538 . 0 0 "[ . 1 . 2]" 1
322 1 31 LEU HB2 1 67 PHE H . . 5.000 3.879 2.897 4.334 . 0 0 "[ . 1 . 2]" 1
323 1 31 LEU HA 1 67 PHE HA . . 6.800 6.851 6.773 6.901 0.101 8 0 "[ . 1 . 2]" 1
324 1 31 LEU HA 1 32 THR H . . 3.500 2.182 2.143 2.378 . 0 0 "[ . 1 . 2]" 1
325 1 31 LEU HB3 1 32 THR H . . 4.000 3.234 2.465 3.457 . 0 0 "[ . 1 . 2]" 1
326 1 31 LEU HB2 1 32 THR H . . 4.500 4.282 3.713 4.432 . 0 0 "[ . 1 . 2]" 1
327 1 31 LEU MD1 1 32 THR H . . 5.000 4.053 2.880 4.567 . 0 0 "[ . 1 . 2]" 1
328 1 31 LEU MD1 1 67 PHE H . . 5.400 5.057 4.575 5.443 0.043 1 0 "[ . 1 . 2]" 1
329 1 31 LEU HG 1 32 THR H . . 5.000 4.115 3.152 5.121 0.121 19 0 "[ . 1 . 2]" 1
330 1 31 LEU H 1 32 THR H . . 4.600 4.347 4.222 4.516 . 0 0 "[ . 1 . 2]" 1
331 1 31 LEU H 1 31 LEU HB2 . . 4.000 2.502 2.331 2.629 . 0 0 "[ . 1 . 2]" 1
332 1 31 LEU H 1 31 LEU HB3 . . 4.000 3.611 3.467 3.771 . 0 0 "[ . 1 . 2]" 1
333 1 31 LEU H 1 31 LEU HG . . 5.000 4.461 4.320 4.600 . 0 0 "[ . 1 . 2]" 1
334 1 31 LEU H 1 31 LEU MD1 . . 5.000 3.251 2.776 4.059 . 0 0 "[ . 1 . 2]" 1
335 1 31 LEU H 1 31 LEU MD2 . . 5.000 3.878 2.161 4.647 . 0 0 "[ . 1 . 2]" 1
336 1 32 THR HB 1 66 LYS HG2 . . 5.400 4.995 3.282 5.422 0.022 19 0 "[ . 1 . 2]" 1
337 1 32 THR MG 1 66 LYS HG2 . . 6.200 3.504 2.110 6.014 . 0 0 "[ . 1 . 2]" 1
338 1 32 THR HB 1 35 GLU H . . 5.000 4.375 4.204 4.615 . 0 0 "[ . 1 . 2]" 1
339 1 32 THR HB 1 66 LYS QD . . 4.500 4.313 3.439 4.509 0.009 18 0 "[ . 1 . 2]" 1
340 1 32 THR HA 1 66 LYS HB3 . . 4.500 4.285 3.541 4.514 0.014 5 0 "[ . 1 . 2]" 1
341 1 32 THR HA 1 66 LYS HA . . 4.000 2.182 1.992 2.318 . 0 0 "[ . 1 . 2]" 1
342 1 32 THR HA 1 36 LEU H . . 4.800 4.819 4.739 4.842 0.042 20 0 "[ . 1 . 2]" 1
343 1 32 THR HA 1 35 GLU H . . 4.800 4.661 4.467 4.754 . 0 0 "[ . 1 . 2]" 1
344 1 32 THR HA 1 34 GLU H . . 5.000 4.479 4.260 4.750 . 0 0 "[ . 1 . 2]" 1
345 1 32 THR H 1 35 GLU H . . 4.000 3.475 3.222 3.704 . 0 0 "[ . 1 . 2]" 1
346 1 32 THR MG 1 66 LYS H . . 6.800 5.853 5.501 6.841 0.041 2 0 "[ . 1 . 2]" 1
347 1 32 THR HB 1 66 LYS H . . 6.300 6.324 6.250 6.359 0.059 14 0 "[ . 1 . 2]" 1
348 1 32 THR HA 1 66 LYS H . . 5.000 4.841 4.614 5.003 0.003 13 0 "[ . 1 . 2]" 1
349 1 32 THR HA 1 33 ALA H . . 3.500 2.520 2.516 2.528 . 0 0 "[ . 1 . 2]" 1
350 1 32 THR HB 1 33 ALA H . . 4.000 2.398 2.232 3.686 . 0 0 "[ . 1 . 2]" 1
351 1 32 THR MG 1 33 ALA H . . 5.000 3.724 3.032 3.828 . 0 0 "[ . 1 . 2]" 1
352 1 32 THR H 1 33 ALA H . . 4.600 4.563 4.484 4.576 . 0 0 "[ . 1 . 2]" 1
353 1 32 THR H 1 32 THR HB . . 4.000 3.536 2.558 3.774 . 0 0 "[ . 1 . 2]" 1
354 1 32 THR HA 1 67 PHE H . . 5.000 3.613 3.283 3.986 . 0 0 "[ . 1 . 2]" 1
355 1 33 ALA HA 1 36 LEU MD2 . . 5.000 3.172 2.826 5.021 0.021 20 0 "[ . 1 . 2]" 1
356 1 33 ALA MB 1 34 GLU QG . . 5.000 3.768 3.112 4.780 . 0 0 "[ . 1 . 2]" 1
357 1 33 ALA HA 1 34 GLU HA . . 5.000 4.777 4.745 4.819 . 0 0 "[ . 1 . 2]" 1
358 1 33 ALA MB 1 66 LYS H . . 6.200 5.880 4.521 6.203 0.003 15 0 "[ . 1 . 2]" 1
359 1 33 ALA HA 1 36 LEU HB3 . . 4.500 2.657 2.370 3.049 . 0 0 "[ . 1 . 2]" 1
360 1 33 ALA MB 1 36 LEU H . . 5.100 4.710 4.596 4.830 . 0 0 "[ . 1 . 2]" 1
361 1 33 ALA HA 1 36 LEU H . . 4.400 3.621 3.439 3.724 . 0 0 "[ . 1 . 2]" 1
362 1 33 ALA HA 1 34 GLU H . . 3.500 3.534 3.496 3.567 0.067 8 0 "[ . 1 . 2]" 1
363 1 33 ALA MB 1 34 GLU H . . 4.000 2.604 2.394 2.784 . 0 0 "[ . 1 . 2]" 1
364 1 33 ALA H 1 34 GLU H . . 3.500 2.859 2.793 2.957 . 0 0 "[ . 1 . 2]" 1
365 1 34 GLU HA 1 37 GLY QA . . 5.000 3.923 3.813 4.152 . 0 0 "[ . 1 . 2]" 1
366 1 34 GLU HA 1 38 THR H . . 5.000 4.681 4.431 4.808 . 0 0 "[ . 1 . 2]" 1
367 1 34 GLU HA 1 37 GLY H . . 4.200 3.588 3.497 3.857 . 0 0 "[ . 1 . 2]" 1
368 1 34 GLU HA 1 35 GLU H . . 3.500 3.553 3.520 3.557 0.057 17 0 "[ . 1 . 2]" 1
369 1 34 GLU HB2 1 35 GLU H . . 4.000 2.780 2.407 3.407 . 0 0 "[ . 1 . 2]" 1
370 1 34 GLU H 1 36 LEU H . . 5.000 4.075 3.821 4.305 . 0 0 "[ . 1 . 2]" 1
371 1 34 GLU H 1 35 GLU H . . 3.500 2.694 2.534 2.832 . 0 0 "[ . 1 . 2]" 1
372 1 34 GLU H 1 34 GLU HB2 . . 4.000 2.282 2.065 2.697 . 0 0 "[ . 1 . 2]" 1
373 1 35 GLU HB2 1 38 THR H . . 5.700 5.546 5.412 5.733 0.033 18 0 "[ . 1 . 2]" 1
374 1 35 GLU HB3 1 38 THR MG . . 5.700 5.331 3.563 5.704 0.004 20 0 "[ . 1 . 2]" 1
375 1 35 GLU HA 1 38 THR HB . . 4.900 3.406 2.962 4.184 . 0 0 "[ . 1 . 2]" 1
376 1 35 GLU HA 1 38 THR H . . 4.100 3.547 3.440 3.605 . 0 0 "[ . 1 . 2]" 1
377 1 35 GLU HA 1 36 LEU H . . 3.500 3.532 3.501 3.558 0.058 16 0 "[ . 1 . 2]" 1
378 1 35 GLU HB2 1 36 LEU H . . 4.000 2.615 2.414 2.842 . 0 0 "[ . 1 . 2]" 1
379 1 35 GLU HB3 1 36 LEU H . . 4.000 3.688 3.374 3.930 . 0 0 "[ . 1 . 2]" 1
380 1 35 GLU H 1 36 LEU H . . 3.500 2.660 2.481 2.765 . 0 0 "[ . 1 . 2]" 1
381 1 35 GLU H 1 35 GLU HB2 . . 4.000 2.543 2.357 2.710 . 0 0 "[ . 1 . 2]" 1
382 1 35 GLU H 1 35 GLU HB3 . . 4.000 3.588 3.572 3.606 . 0 0 "[ . 1 . 2]" 1
383 1 35 GLU H 1 36 LEU HB3 . . 4.900 4.709 4.556 5.054 0.154 20 0 "[ . 1 . 2]" 1
384 1 36 LEU MD1 1 40 MET HG2 . . 5.000 4.831 4.129 5.010 0.010 7 0 "[ . 1 . 2]" 1
385 1 36 LEU HA 1 52 ILE MD . . 6.200 5.815 4.848 6.206 0.006 12 0 "[ . 1 . 2]" 1
386 1 36 LEU QB 1 52 ILE MD . . 5.000 4.783 3.736 5.007 0.007 16 0 "[ . 1 . 2]" 1
387 1 36 LEU HA 1 67 PHE HB2 . . 5.000 4.786 4.018 5.003 0.003 15 0 "[ . 1 . 2]" 1
388 1 36 LEU MD1 1 38 THR H . . 5.900 5.514 4.825 5.920 0.020 7 0 "[ . 1 . 2]" 1
389 1 36 LEU MD2 1 38 THR H . . 6.000 5.953 5.635 6.037 0.037 13 0 "[ . 1 . 2]" 1
390 1 36 LEU MD1 1 56 VAL HA . . 6.100 6.004 5.257 6.108 0.008 18 0 "[ . 1 . 2]" 1
391 1 36 LEU MD1 1 75 ILE MD . . 5.100 5.115 5.040 5.143 0.043 17 0 "[ . 1 . 2]" 1
392 1 36 LEU HA 1 39 VAL HB . . 5.000 4.129 3.864 4.194 . 0 0 "[ . 1 . 2]" 1
393 1 36 LEU HB2 1 40 MET H . . 5.700 5.759 5.735 5.873 0.173 20 0 "[ . 1 . 2]" 1
394 1 36 LEU HB2 1 39 VAL H . . 5.700 5.754 5.701 5.832 0.132 20 0 "[ . 1 . 2]" 1
395 1 36 LEU HA 1 40 MET H . . 4.500 3.840 3.685 3.933 . 0 0 "[ . 1 . 2]" 1
396 1 36 LEU HA 1 39 VAL H . . 3.500 3.472 3.433 3.526 0.026 18 0 "[ . 1 . 2]" 1
397 1 36 LEU HA 1 37 GLY H . . 3.500 3.526 3.497 3.549 0.049 4 0 "[ . 1 . 2]" 1
398 1 36 LEU HB2 1 37 GLY H . . 4.200 4.003 3.637 4.094 . 0 0 "[ . 1 . 2]" 1
399 1 36 LEU HB3 1 37 GLY H . . 4.000 2.724 2.627 2.865 . 0 0 "[ . 1 . 2]" 1
400 1 36 LEU MD1 1 37 GLY H . . 5.000 4.517 3.611 4.827 . 0 0 "[ . 1 . 2]" 1
401 1 36 LEU MD2 1 37 GLY H . . 5.000 4.069 3.742 4.693 . 0 0 "[ . 1 . 2]" 1
402 1 36 LEU H 1 37 GLY H . . 3.500 2.647 2.479 2.816 . 0 0 "[ . 1 . 2]" 1
403 1 36 LEU H 1 36 LEU HB2 . . 4.000 2.669 2.285 2.786 . 0 0 "[ . 1 . 2]" 1
404 1 36 LEU H 1 36 LEU HB3 . . 4.000 2.363 2.264 2.784 . 0 0 "[ . 1 . 2]" 1
405 1 36 LEU H 1 36 LEU MD1 . . 5.000 4.202 4.139 4.272 . 0 0 "[ . 1 . 2]" 1
406 1 36 LEU H 1 36 LEU MD2 . . 5.000 4.142 3.779 4.189 . 0 0 "[ . 1 . 2]" 1
407 1 37 GLY HA2 1 40 MET HG2 . . 5.000 4.509 4.360 4.755 . 0 0 "[ . 1 . 2]" 1
408 1 37 GLY HA2 1 52 ILE HG12 . . 6.400 3.804 2.221 4.972 . 0 0 "[ . 1 . 2]" 1
409 1 37 GLY HA2 1 41 ARG QG . . 5.000 4.102 3.854 4.693 . 0 0 "[ . 1 . 2]" 1
410 1 37 GLY HA2 1 49 LYS HG2 . . 6.200 5.855 4.769 6.204 0.004 10 0 "[ . 1 . 2]" 1
411 1 37 GLY HA2 1 52 ILE MD . . 5.500 2.469 1.907 4.369 . 0 0 "[ . 1 . 2]" 1
412 1 37 GLY HA2 1 40 MET HB2 . . 4.500 3.534 3.300 3.842 . 0 0 "[ . 1 . 2]" 1
413 1 37 GLY HA2 1 41 ARG H . . 4.500 3.928 3.718 4.060 . 0 0 "[ . 1 . 2]" 1
414 1 37 GLY HA2 1 40 MET H . . 3.700 3.600 3.565 3.670 . 0 0 "[ . 1 . 2]" 1
415 1 37 GLY HA3 1 40 MET H . . 4.700 4.752 4.732 4.807 0.107 20 0 "[ . 1 . 2]" 1
416 1 37 GLY HA2 1 38 THR H . . 3.500 3.508 3.493 3.523 0.023 11 0 "[ . 1 . 2]" 1
417 1 37 GLY HA3 1 38 THR H . . 3.500 2.914 2.871 2.956 . 0 0 "[ . 1 . 2]" 1
418 1 37 GLY H 1 38 THR H . . 3.500 2.676 2.577 2.715 . 0 0 "[ . 1 . 2]" 1
419 1 38 THR HA 1 41 ARG HD2 . . 5.000 3.307 2.399 4.976 . 0 0 "[ . 1 . 2]" 1
420 1 38 THR HA 1 41 ARG HB2 . . 5.000 3.227 2.715 5.005 0.005 16 0 "[ . 1 . 2]" 1
421 1 38 THR H 1 39 VAL HB . . 5.200 5.083 4.800 5.157 . 0 0 "[ . 1 . 2]" 1
422 1 38 THR HA 1 41 ARG H . . 3.700 3.669 3.609 3.729 0.029 16 0 "[ . 1 . 2]" 1
423 1 38 THR H 1 40 MET H . . 4.000 3.852 3.784 3.909 . 0 0 "[ . 1 . 2]" 1
424 1 38 THR HA 1 39 VAL H . . 3.500 3.548 3.529 3.555 0.055 19 0 "[ . 1 . 2]" 1
425 1 38 THR HB 1 39 VAL H . . 4.000 2.734 2.486 3.976 . 0 0 "[ . 1 . 2]" 1
426 1 38 THR MG 1 39 VAL H . . 5.000 3.208 2.021 3.575 . 0 0 "[ . 1 . 2]" 1
427 1 38 THR H 1 39 VAL H . . 3.500 2.579 2.468 2.620 . 0 0 "[ . 1 . 2]" 1
428 1 38 THR H 1 38 THR HB . . 4.000 2.538 2.475 2.737 . 0 0 "[ . 1 . 2]" 1
429 1 39 VAL MG2 1 72 PHE HB2 . . 6.300 6.266 5.703 6.335 0.035 11 0 "[ . 1 . 2]" 1
430 1 39 VAL HA 1 42 ALA MB . . 5.000 3.204 2.385 3.486 . 0 0 "[ . 1 . 2]" 1
431 1 39 VAL HA 1 42 ALA H . . 4.500 3.684 3.409 3.781 . 0 0 "[ . 1 . 2]" 1
432 1 39 VAL H 1 41 ARG H . . 4.200 4.043 3.983 4.207 0.007 13 0 "[ . 1 . 2]" 1
433 1 39 VAL HA 1 40 MET H . . 3.500 3.510 3.500 3.520 0.020 20 0 "[ . 1 . 2]" 1
434 1 39 VAL HB 1 40 MET H . . 4.000 3.987 3.919 4.031 0.031 16 0 "[ . 1 . 2]" 1
435 1 39 VAL MG1 1 40 MET H . . 5.000 2.145 2.109 2.197 . 0 0 "[ . 1 . 2]" 1
436 1 39 VAL MG2 1 40 MET H . . 5.000 3.684 3.592 3.868 . 0 0 "[ . 1 . 2]" 1
437 1 39 VAL H 1 40 MET H . . 3.500 2.506 2.477 2.518 . 0 0 "[ . 1 . 2]" 1
438 1 39 VAL H 1 39 VAL HB . . 4.000 2.634 2.520 2.661 . 0 0 "[ . 1 . 2]" 1
439 1 40 MET HG2 1 44 GLY H . . 5.000 4.818 4.116 5.007 0.007 10 0 "[ . 1 . 2]" 1
440 1 40 MET HA 1 43 LEU HB2 . . 4.500 3.270 2.511 3.709 . 0 0 "[ . 1 . 2]" 1
441 1 40 MET HA 1 43 LEU MD1 . . 5.000 4.033 2.073 5.009 0.009 12 0 "[ . 1 . 2]" 1
442 1 40 MET HA 1 43 LEU H . . 4.500 3.524 3.178 3.860 . 0 0 "[ . 1 . 2]" 1
443 1 40 MET HA 1 41 ARG H . . 3.500 3.512 3.502 3.549 0.049 13 0 "[ . 1 . 2]" 1
444 1 40 MET HB2 1 41 ARG H . . 4.000 3.841 3.715 3.994 . 0 0 "[ . 1 . 2]" 1
445 1 40 MET HG2 1 41 ARG H . . 5.000 4.383 3.650 4.731 . 0 0 "[ . 1 . 2]" 1
446 1 40 MET H 1 41 ARG H . . 3.500 2.546 2.518 2.597 . 0 0 "[ . 1 . 2]" 1
447 1 40 MET H 1 40 MET HB2 . . 4.000 2.435 2.303 2.644 . 0 0 "[ . 1 . 2]" 1
448 1 40 MET H 1 40 MET HG2 . . 5.000 4.588 4.411 4.660 . 0 0 "[ . 1 . 2]" 1
449 1 40 MET HG2 1 41 ARG HA . . 5.000 4.518 3.673 5.009 0.009 7 0 "[ . 1 . 2]" 1
450 1 41 ARG HB2 1 43 LEU H . . 5.000 5.017 4.983 5.116 0.116 6 0 "[ . 1 . 2]" 1
451 1 41 ARG HA 1 44 GLY H . . 4.300 3.089 2.850 4.021 . 0 0 "[ . 1 . 2]" 1
452 1 41 ARG HA 1 43 LEU H . . 4.500 3.739 3.534 4.016 . 0 0 "[ . 1 . 2]" 1
453 1 41 ARG HA 1 42 ALA H . . 3.500 3.507 3.496 3.518 0.018 12 0 "[ . 1 . 2]" 1
454 1 41 ARG HB2 1 42 ALA H . . 4.000 3.077 2.859 4.003 0.003 6 0 "[ . 1 . 2]" 1
455 1 41 ARG H 1 42 ALA H . . 3.500 2.703 2.472 2.761 . 0 0 "[ . 1 . 2]" 1
456 1 41 ARG H 1 41 ARG HB2 . . 4.000 2.446 2.132 3.604 . 0 0 "[ . 1 . 2]" 1
457 1 41 ARG H 1 41 ARG HB3 . . 4.000 3.369 2.449 3.558 . 0 0 "[ . 1 . 2]" 1
458 1 42 ALA HA 1 43 LEU H . . 3.500 3.434 3.318 3.466 . 0 0 "[ . 1 . 2]" 1
459 1 42 ALA MB 1 43 LEU H . . 4.000 2.977 2.887 3.210 . 0 0 "[ . 1 . 2]" 1
460 1 42 ALA H 1 43 LEU H . . 3.500 2.632 2.501 2.702 . 0 0 "[ . 1 . 2]" 1
461 1 39 VAL MG2 1 43 LEU MD2 . . 5.000 4.512 2.750 5.006 0.006 11 0 "[ . 1 . 2]" 1
462 1 43 LEU HA 1 44 GLY H . . 3.500 3.487 3.456 3.560 0.060 13 0 "[ . 1 . 2]" 1
463 1 43 LEU HB2 1 44 GLY H . . 4.000 3.101 2.099 3.733 . 0 0 "[ . 1 . 2]" 1
464 1 43 LEU HB3 1 44 GLY H . . 4.000 3.460 2.667 4.003 0.003 10 0 "[ . 1 . 2]" 1
465 1 43 LEU MD1 1 44 GLY H . . 5.000 4.473 3.717 4.990 . 0 0 "[ . 1 . 2]" 1
466 1 43 LEU MD2 1 44 GLY H . . 5.000 4.652 3.996 5.001 0.001 7 0 "[ . 1 . 2]" 1
467 1 43 LEU H 1 44 GLY H . . 3.500 2.147 1.969 2.664 . 0 0 "[ . 1 . 2]" 1
468 1 43 LEU H 1 43 LEU HB2 . . 4.000 2.380 2.059 2.668 . 0 0 "[ . 1 . 2]" 1
469 1 43 LEU H 1 43 LEU HB3 . . 4.000 3.431 2.784 3.733 . 0 0 "[ . 1 . 2]" 1
470 1 43 LEU H 1 43 LEU MD1 . . 5.000 3.553 2.562 4.293 . 0 0 "[ . 1 . 2]" 1
471 1 43 LEU H 1 43 LEU MD2 . . 5.000 3.768 2.133 4.445 . 0 0 "[ . 1 . 2]" 1
472 1 44 GLY H 1 46 ASN H . . 6.000 5.356 4.235 6.009 0.009 17 0 "[ . 1 . 2]" 1
473 1 44 GLY HA2 1 45 ALA H . . 3.500 3.253 2.263 3.552 0.052 11 0 "[ . 1 . 2]" 1
474 1 44 GLY HA3 1 45 ALA H . . 3.500 2.596 2.149 3.517 0.017 12 0 "[ . 1 . 2]" 1
475 1 44 GLY H 1 45 ALA H . . 3.500 2.999 1.899 3.503 0.003 2 0 "[ . 1 . 2]" 1
476 1 45 ALA HA 1 46 ASN H . . 3.500 2.841 2.292 3.554 0.054 1 0 "[ . 1 . 2]" 1
477 1 45 ALA MB 1 46 ASN H . . 4.000 3.461 2.018 3.718 . 0 0 "[ . 1 . 2]" 1
478 1 45 ALA H 1 46 ASN H . . 3.500 2.859 2.612 3.384 . 0 0 "[ . 1 . 2]" 1
479 1 46 ASN H 1 47 PRO HB2 . . 6.000 5.672 5.245 5.893 . 0 0 "[ . 1 . 2]" 1
480 1 46 ASN H 1 47 PRO HB3 . . 5.600 5.423 4.510 5.628 0.028 18 0 "[ . 1 . 2]" 1
481 1 46 ASN H 1 47 PRO HD3 . . 5.000 3.076 2.370 3.380 . 0 0 "[ . 1 . 2]" 1
482 1 46 ASN H 1 47 PRO HD2 . . 5.000 2.074 1.926 3.349 . 0 0 "[ . 1 . 2]" 1
483 1 46 ASN H 1 46 ASN HB2 . . 4.000 2.518 2.080 3.299 . 0 0 "[ . 1 . 2]" 1
484 1 46 ASN H 1 46 ASN HB3 . . 4.000 3.465 3.272 3.762 . 0 0 "[ . 1 . 2]" 1
485 1 47 PRO HB3 1 48 THR H . . 5.000 3.272 3.199 3.513 . 0 0 "[ . 1 . 2]" 1
486 1 48 THR HB 1 51 LYS H . . 5.000 2.575 2.263 4.458 . 0 0 "[ . 1 . 2]" 1
487 1 48 THR HB 1 51 LYS HG2 . . 5.000 2.780 1.999 4.972 . 0 0 "[ . 1 . 2]" 1
488 1 48 THR HA 1 49 LYS H . . 3.500 2.367 2.314 2.505 . 0 0 "[ . 1 . 2]" 1
489 1 48 THR HB 1 49 LYS H . . 4.000 3.168 2.624 3.733 . 0 0 "[ . 1 . 2]" 1
490 1 48 THR H 1 48 THR HB . . 4.000 3.003 2.683 3.190 . 0 0 "[ . 1 . 2]" 1
491 1 49 LYS HD2 1 52 ILE MG . . 5.000 4.532 3.178 5.002 0.002 10 0 "[ . 1 . 2]" 1
492 1 49 LYS HA 1 52 ILE HB . . 5.000 4.042 2.826 4.800 . 0 0 "[ . 1 . 2]" 1
493 1 49 LYS HA 1 53 SER H . . 4.500 3.907 3.851 4.025 . 0 0 "[ . 1 . 2]" 1
494 1 49 LYS HB2 1 50 GLN H . . 4.000 3.173 2.744 3.805 . 0 0 "[ . 1 . 2]" 1
495 1 49 LYS HA 1 52 ILE H . . 3.900 3.551 3.443 3.695 . 0 0 "[ . 1 . 2]" 1
496 1 49 LYS HA 1 50 GLN H . . 3.500 3.517 3.509 3.539 0.039 17 0 "[ . 1 . 2]" 1
497 1 49 LYS HG2 1 50 GLN H . . 5.200 4.849 4.294 5.083 . 0 0 "[ . 1 . 2]" 1
498 1 49 LYS H 1 50 GLN H . . 3.500 2.683 2.647 2.798 . 0 0 "[ . 1 . 2]" 1
499 1 49 LYS H 1 49 LYS HB2 . . 4.000 2.228 2.061 2.511 . 0 0 "[ . 1 . 2]" 1
500 1 49 LYS H 1 49 LYS HB3 . . 4.000 3.289 2.738 3.590 . 0 0 "[ . 1 . 2]" 1
501 1 49 LYS H 1 49 LYS HG2 . . 5.000 3.708 2.329 4.636 . 0 0 "[ . 1 . 2]" 1
502 1 49 LYS H 1 49 LYS HD2 . . 5.000 4.787 4.291 5.002 0.002 4 0 "[ . 1 . 2]" 1
503 1 49 LYS H 1 49 LYS HD3 . . 5.000 4.644 3.418 5.000 0.000 2 0 "[ . 1 . 2]" 1
504 1 50 GLN HB2 1 53 SER HG . . 5.150 4.880 4.295 5.117 . 0 0 "[ . 1 . 2]" 1
505 1 50 GLN HA 1 53 SER HB2 . . 4.500 4.097 2.346 4.506 0.006 17 0 "[ . 1 . 2]" 1
506 1 50 GLN HA 1 53 SER H . . 4.000 3.598 3.512 3.750 . 0 0 "[ . 1 . 2]" 1
507 1 50 GLN HA 1 51 LYS H . . 3.500 3.506 3.465 3.538 0.038 16 0 "[ . 1 . 2]" 1
508 1 50 GLN HB2 1 51 LYS H . . 4.000 3.597 2.776 3.954 . 0 0 "[ . 1 . 2]" 1
509 1 50 GLN H 1 51 LYS H . . 3.500 2.571 2.539 2.618 . 0 0 "[ . 1 . 2]" 1
510 1 50 GLN H 1 50 GLN HB2 . . 4.000 2.394 2.083 3.590 . 0 0 "[ . 1 . 2]" 1
511 1 50 GLN H 1 50 GLN HG2 . . 5.000 4.350 3.204 4.651 . 0 0 "[ . 1 . 2]" 1
512 1 51 LYS HA 1 54 GLU HB3 . . 4.500 3.751 2.574 4.493 . 0 0 "[ . 1 . 2]" 1
513 1 51 LYS HB2 1 55 ILE H . . 5.900 5.901 5.809 5.968 0.068 17 0 "[ . 1 . 2]" 1
514 1 51 LYS HA 1 55 ILE H . . 4.700 4.497 3.980 4.679 . 0 0 "[ . 1 . 2]" 1
515 1 51 LYS HA 1 54 GLU H . . 3.800 3.606 3.408 3.786 . 0 0 "[ . 1 . 2]" 1
516 1 51 LYS HA 1 52 ILE H . . 3.500 3.553 3.529 3.562 0.062 17 0 "[ . 1 . 2]" 1
517 1 51 LYS HB2 1 52 ILE H . . 4.000 2.523 2.366 3.864 . 0 0 "[ . 1 . 2]" 1
518 1 51 LYS HG2 1 52 ILE H . . 5.000 4.115 3.357 4.716 . 0 0 "[ . 1 . 2]" 1
519 1 51 LYS H 1 52 ILE H . . 3.500 2.616 2.502 2.721 . 0 0 "[ . 1 . 2]" 1
520 1 51 LYS H 1 51 LYS HB2 . . 4.000 2.650 2.335 2.803 . 0 0 "[ . 1 . 2]" 1
521 1 51 LYS H 1 51 LYS HG2 . . 5.000 2.319 1.948 4.350 . 0 0 "[ . 1 . 2]" 1
522 1 52 ILE HA 1 55 ILE HB . . 4.500 2.907 2.539 4.651 0.151 15 0 "[ . 1 . 2]" 1
523 1 52 ILE HA 1 56 VAL H . . 5.000 4.092 3.843 4.223 . 0 0 "[ . 1 . 2]" 1
524 1 52 ILE HA 1 55 ILE H . . 3.700 3.366 3.204 3.694 . 0 0 "[ . 1 . 2]" 1
525 1 52 ILE HA 1 53 SER H . . 3.500 3.515 3.501 3.530 0.030 20 0 "[ . 1 . 2]" 1
526 1 52 ILE HB 1 53 SER H . . 4.000 3.833 2.661 3.990 . 0 0 "[ . 1 . 2]" 1
527 1 52 ILE MG 1 53 SER H . . 5.000 2.450 2.066 3.988 . 0 0 "[ . 1 . 2]" 1
528 1 52 ILE HG12 1 53 SER H . . 5.000 3.962 2.542 4.996 . 0 0 "[ . 1 . 2]" 1
529 1 52 ILE HG13 1 53 SER H . . 5.300 4.342 2.308 4.962 . 0 0 "[ . 1 . 2]" 1
530 1 52 ILE MD 1 53 SER H . . 5.000 4.543 3.874 4.776 . 0 0 "[ . 1 . 2]" 1
531 1 52 ILE H 1 53 SER H . . 3.500 2.589 2.536 2.695 . 0 0 "[ . 1 . 2]" 1
532 1 52 ILE H 1 52 ILE HB . . 4.000 2.699 2.520 3.621 . 0 0 "[ . 1 . 2]" 1
533 1 52 ILE H 1 52 ILE HG12 . . 5.000 4.081 1.949 4.684 . 0 0 "[ . 1 . 2]" 1
534 1 52 ILE H 1 52 ILE HG13 . . 5.000 4.173 2.157 4.490 . 0 0 "[ . 1 . 2]" 1
535 1 52 ILE H 1 52 ILE MD . . 5.000 4.166 3.275 4.408 . 0 0 "[ . 1 . 2]" 1
536 1 53 SER HA 1 56 VAL HB . . 4.500 3.344 2.740 4.582 0.082 19 0 "[ . 1 . 2]" 1
537 1 53 SER HA 1 57 LYS H . . 4.300 4.093 3.831 4.300 0.000 5 0 "[ . 1 . 2]" 1
538 1 53 SER HA 1 56 VAL H . . 4.000 3.549 3.462 3.746 . 0 0 "[ . 1 . 2]" 1
539 1 53 SER HA 1 54 GLU H . . 3.500 3.507 3.492 3.530 0.030 16 0 "[ . 1 . 2]" 1
540 1 53 SER HB2 1 54 GLU H . . 4.000 3.771 2.791 4.002 0.002 15 0 "[ . 1 . 2]" 1
541 1 53 SER HG 1 54 GLU H . . 5.000 3.426 2.028 4.740 . 0 0 "[ . 1 . 2]" 1
542 1 53 SER H 1 54 GLU H . . 3.500 2.595 2.473 2.728 . 0 0 "[ . 1 . 2]" 1
543 1 53 SER H 1 53 SER HB2 . . 4.000 3.471 2.270 3.605 . 0 0 "[ . 1 . 2]" 1
544 1 53 SER H 1 53 SER HG . . 5.000 3.265 1.948 3.737 . 0 0 "[ . 1 . 2]" 1
545 1 54 GLU HA 1 57 LYS HB2 . . 5.000 4.094 2.587 4.996 . 0 0 "[ . 1 . 2]" 1
546 1 54 GLU HA 1 58 ASP H . . 4.900 4.261 4.082 4.446 . 0 0 "[ . 1 . 2]" 1
547 1 54 GLU HA 1 57 LYS H . . 3.800 3.619 3.454 3.821 0.021 17 0 "[ . 1 . 2]" 1
548 1 54 GLU HA 1 55 ILE H . . 3.500 3.506 3.493 3.562 0.062 15 0 "[ . 1 . 2]" 1
549 1 54 GLU HB2 1 55 ILE H . . 4.000 3.506 2.927 3.997 . 0 0 "[ . 1 . 2]" 1
550 1 54 GLU HB3 1 55 ILE H . . 4.000 2.974 2.326 3.438 . 0 0 "[ . 1 . 2]" 1
551 1 54 GLU H 1 56 VAL H . . 4.200 4.052 3.875 4.243 0.043 12 0 "[ . 1 . 2]" 1
552 1 54 GLU H 1 55 ILE H . . 3.500 2.497 2.470 2.630 . 0 0 "[ . 1 . 2]" 1
553 1 54 GLU H 1 54 GLU HB2 . . 4.000 2.264 2.086 2.672 . 0 0 "[ . 1 . 2]" 1
554 1 54 GLU H 1 54 GLU HB3 . . 4.000 2.992 2.431 3.491 . 0 0 "[ . 1 . 2]" 1
555 1 55 ILE HA 1 58 ASP HB2 . . 4.500 3.257 2.316 3.821 . 0 0 "[ . 1 . 2]" 1
556 1 55 ILE HA 1 59 TYR H . . 5.100 4.007 3.819 4.395 . 0 0 "[ . 1 . 2]" 1
557 1 55 ILE HA 1 58 ASP H . . 3.500 3.448 3.257 3.528 0.028 3 0 "[ . 1 . 2]" 1
558 1 55 ILE HA 1 56 VAL H . . 3.500 3.524 3.505 3.560 0.060 17 0 "[ . 1 . 2]" 1
559 1 55 ILE HB 1 56 VAL H . . 4.000 2.732 2.439 3.652 . 0 0 "[ . 1 . 2]" 1
560 1 55 ILE MG 1 56 VAL H . . 5.000 3.530 3.132 4.006 . 0 0 "[ . 1 . 2]" 1
561 1 55 ILE H 1 56 VAL H . . 3.500 2.523 2.477 2.681 . 0 0 "[ . 1 . 2]" 1
562 1 55 ILE H 1 55 ILE HB . . 4.000 2.554 2.412 3.605 . 0 0 "[ . 1 . 2]" 1
563 1 33 ALA MB 1 56 VAL MG1 . . 6.000 2.886 2.211 4.180 . 0 0 "[ . 1 . 2]" 1
564 1 56 VAL HA 1 59 TYR HB2 . . 4.500 3.523 2.478 4.012 . 0 0 "[ . 1 . 2]" 1
565 1 56 VAL HA 1 60 ASP H . . 4.500 3.785 3.525 4.278 . 0 0 "[ . 1 . 2]" 1
566 1 56 VAL HA 1 59 TYR H . . 3.700 3.394 3.265 3.523 . 0 0 "[ . 1 . 2]" 1
567 1 56 VAL HA 1 57 LYS H . . 3.500 3.528 3.502 3.544 0.044 9 0 "[ . 1 . 2]" 1
568 1 56 VAL HB 1 57 LYS H . . 4.000 3.087 2.564 4.000 . 0 0 "[ . 1 . 2]" 1
569 1 56 VAL MG1 1 57 LYS H . . 5.000 3.155 1.987 3.966 . 0 0 "[ . 1 . 2]" 1
570 1 56 VAL MG2 1 57 LYS H . . 5.000 3.616 2.043 4.069 . 0 0 "[ . 1 . 2]" 1
571 1 56 VAL H 1 57 LYS H . . 3.500 2.585 2.511 2.782 . 0 0 "[ . 1 . 2]" 1
572 1 56 VAL H 1 56 VAL HB . . 4.000 2.634 2.330 3.613 . 0 0 "[ . 1 . 2]" 1
573 1 57 LYS HA 1 61 LYS H . . 6.200 5.652 4.727 6.198 . 0 0 "[ . 1 . 2]" 1
574 1 57 LYS HA 1 60 ASP H . . 3.700 3.606 3.367 3.703 0.003 13 0 "[ . 1 . 2]" 1
575 1 57 LYS HA 1 58 ASP H . . 3.500 3.463 3.433 3.504 0.004 5 0 "[ . 1 . 2]" 1
576 1 57 LYS HB2 1 58 ASP H . . 4.200 3.759 2.934 4.172 . 0 0 "[ . 1 . 2]" 1
577 1 57 LYS HB3 1 58 ASP H . . 4.000 3.833 3.237 4.011 0.011 2 0 "[ . 1 . 2]" 1
578 1 57 LYS HD2 1 58 ASP H . . 5.000 4.605 3.631 5.054 0.054 12 0 "[ . 1 . 2]" 1
579 1 57 LYS H 1 58 ASP H . . 3.500 2.477 2.468 2.491 . 0 0 "[ . 1 . 2]" 1
580 1 57 LYS H 1 57 LYS HB2 . . 4.000 3.112 2.084 3.605 . 0 0 "[ . 1 . 2]" 1
581 1 57 LYS H 1 57 LYS HB3 . . 4.000 2.815 2.424 3.599 . 0 0 "[ . 1 . 2]" 1
582 1 57 LYS H 1 57 LYS HD2 . . 5.200 4.096 2.677 4.775 . 0 0 "[ . 1 . 2]" 1
583 1 57 LYS H 1 57 LYS HD3 . . 5.100 4.645 3.894 5.008 . 0 0 "[ . 1 . 2]" 1
584 1 57 LYS H 1 57 LYS HE2 . . 5.000 4.476 3.407 4.994 . 0 0 "[ . 1 . 2]" 1
585 1 58 ASP HA 1 61 LYS H . . 6.100 4.915 3.752 5.575 . 0 0 "[ . 1 . 2]" 1
586 1 58 ASP HA 1 59 TYR H . . 3.500 3.472 3.424 3.511 0.011 12 0 "[ . 1 . 2]" 1
587 1 58 ASP HB2 1 59 TYR H . . 4.000 3.631 2.914 4.006 0.006 10 0 "[ . 1 . 2]" 1
588 1 58 ASP HB3 1 59 TYR H . . 4.000 3.169 2.760 3.767 . 0 0 "[ . 1 . 2]" 1
589 1 58 ASP H 1 59 TYR H . . 3.500 2.283 2.194 2.434 . 0 0 "[ . 1 . 2]" 1
590 1 58 ASP H 1 58 ASP HB2 . . 4.000 2.442 2.156 2.698 . 0 0 "[ . 1 . 2]" 1
591 1 58 ASP H 1 58 ASP HB3 . . 4.000 2.959 2.478 3.557 . 0 0 "[ . 1 . 2]" 1
592 1 59 TYR HB3 1 60 ASP H . . 4.000 3.013 2.771 3.672 . 0 0 "[ . 1 . 2]" 1
593 1 59 TYR HB2 1 60 ASP H . . 4.000 3.729 2.925 4.002 0.002 11 0 "[ . 1 . 2]" 1
594 1 59 TYR HA 1 60 ASP H . . 3.500 3.485 3.462 3.507 0.007 15 0 "[ . 1 . 2]" 1
595 1 59 TYR H 1 60 ASP H . . 3.500 2.300 2.243 2.360 . 0 0 "[ . 1 . 2]" 1
596 1 59 TYR H 1 59 TYR HB2 . . 4.000 2.494 2.161 2.714 . 0 0 "[ . 1 . 2]" 1
597 1 59 TYR H 1 59 TYR HB3 . . 4.000 2.812 2.508 3.529 . 0 0 "[ . 1 . 2]" 1
598 1 60 ASP H 1 61 LYS H . . 3.800 3.299 2.564 3.673 . 0 0 "[ . 1 . 2]" 1
599 1 60 ASP HB2 1 61 LYS H . . 4.700 4.368 4.018 4.657 . 0 0 "[ . 1 . 2]" 1
600 1 60 ASP HB3 1 61 LYS H . . 4.500 4.357 4.092 4.520 0.020 15 0 "[ . 1 . 2]" 1
601 1 60 ASP HA 1 61 LYS H . . 3.500 2.599 2.291 2.982 . 0 0 "[ . 1 . 2]" 1
602 1 60 ASP H 1 60 ASP HB2 . . 4.000 2.624 2.347 3.682 . 0 0 "[ . 1 . 2]" 1
603 1 60 ASP H 1 60 ASP HB3 . . 4.000 3.529 2.833 3.824 . 0 0 "[ . 1 . 2]" 1
604 1 61 LYS H 1 62 ASP H . . 4.000 2.114 1.957 2.569 . 0 0 "[ . 1 . 2]" 1
605 1 61 LYS HA 1 62 ASP HA . . 5.000 4.676 4.653 4.718 . 0 0 "[ . 1 . 2]" 1
606 1 61 LYS HG2 1 63 ASN H . . 5.500 4.976 4.563 5.375 . 0 0 "[ . 1 . 2]" 1
607 1 61 LYS HB2 1 63 ASN H . . 5.200 5.107 4.988 5.210 0.010 17 0 "[ . 1 . 2]" 1
608 1 61 LYS HA 1 63 ASN H . . 5.000 3.449 3.319 3.607 . 0 0 "[ . 1 . 2]" 1
609 1 61 LYS HA 1 62 ASP H . . 3.500 3.388 3.337 3.447 . 0 0 "[ . 1 . 2]" 1
610 1 61 LYS HB2 1 62 ASP H . . 4.300 4.164 3.892 4.293 . 0 0 "[ . 1 . 2]" 1
611 1 61 LYS HG2 1 62 ASP H . . 5.000 2.780 2.331 3.273 . 0 0 "[ . 1 . 2]" 1
612 1 61 LYS HE2 1 62 ASP H . . 5.000 4.828 4.504 5.002 0.002 16 0 "[ . 1 . 2]" 1
613 1 61 LYS H 1 61 LYS HB2 . . 4.000 3.697 3.593 3.752 . 0 0 "[ . 1 . 2]" 1
614 1 61 LYS H 1 61 LYS HG2 . . 5.000 2.101 1.947 2.286 . 0 0 "[ . 1 . 2]" 1
615 1 61 LYS H 1 61 LYS HE2 . . 5.000 3.889 3.123 4.829 . 0 0 "[ . 1 . 2]" 1
616 1 61 LYS H 1 61 LYS HE3 . . 5.000 4.758 2.657 5.002 0.002 16 0 "[ . 1 . 2]" 1
617 1 62 ASP H 1 64 SER H . . 4.800 4.600 4.447 4.690 . 0 0 "[ . 1 . 2]" 1
618 1 62 ASP H 1 63 ASN HB2 . . 5.400 4.410 4.068 5.080 . 0 0 "[ . 1 . 2]" 1
619 1 62 ASP H 1 63 ASN HA . . 5.200 5.097 5.070 5.126 . 0 0 "[ . 1 . 2]" 1
620 1 62 ASP HA 1 64 SER H . . 6.000 5.787 5.589 5.970 . 0 0 "[ . 1 . 2]" 1
621 1 62 ASP HB2 1 63 ASN H . . 4.500 4.422 4.140 4.511 0.011 1 0 "[ . 1 . 2]" 1
622 1 62 ASP HB3 1 63 ASN H . . 4.300 4.268 4.125 4.314 0.014 1 0 "[ . 1 . 2]" 1
623 1 62 ASP HA 1 63 ASN H . . 3.500 3.234 3.166 3.380 . 0 0 "[ . 1 . 2]" 1
624 1 62 ASP H 1 63 ASN H . . 3.500 2.513 2.434 2.547 . 0 0 "[ . 1 . 2]" 1
625 1 62 ASP H 1 62 ASP HB2 . . 4.000 3.634 3.614 3.644 . 0 0 "[ . 1 . 2]" 1
626 1 62 ASP H 1 62 ASP HB3 . . 4.000 2.518 2.493 2.685 . 0 0 "[ . 1 . 2]" 1
627 1 63 ASN HA 1 64 SER HB3 . . 5.800 5.628 5.258 5.781 . 0 0 "[ . 1 . 2]" 1
628 1 63 ASN H 1 64 SER HB2 . . 5.100 5.056 4.991 5.122 0.022 16 0 "[ . 1 . 2]" 1
629 1 63 ASN HB2 1 64 SER H . . 4.000 2.770 2.147 3.624 . 0 0 "[ . 1 . 2]" 1
630 1 63 ASN HB3 1 64 SER H . . 4.000 2.290 1.968 2.656 . 0 0 "[ . 1 . 2]" 1
631 1 63 ASN HA 1 64 SER H . . 3.500 3.559 3.554 3.569 0.069 15 0 "[ . 1 . 2]" 1
632 1 63 ASN H 1 64 SER H . . 3.500 2.588 2.454 2.673 . 0 0 "[ . 1 . 2]" 1
633 1 63 ASN H 1 63 ASN HB2 . . 4.000 2.873 2.376 3.496 . 0 0 "[ . 1 . 2]" 1
634 1 63 ASN H 1 63 ASN HB3 . . 4.000 3.385 2.681 3.825 . 0 0 "[ . 1 . 2]" 1
635 1 64 SER H 1 66 LYS H . . 4.400 4.041 3.849 4.405 0.005 16 0 "[ . 1 . 2]" 1
636 1 64 SER HB2 1 66 LYS H . . 5.800 4.169 3.940 5.785 . 0 0 "[ . 1 . 2]" 1
637 1 64 SER H 1 65 GLY HA3 . . 5.600 5.719 5.690 5.745 0.145 18 0 "[ . 1 . 2]" 1
638 1 64 SER H 1 65 GLY HA2 . . 5.000 4.665 4.632 4.698 . 0 0 "[ . 1 . 2]" 1
639 1 64 SER HA 1 66 LYS H . . 5.000 4.423 4.282 5.006 0.006 16 0 "[ . 1 . 2]" 1
640 1 64 SER HA 1 65 GLY H . . 3.500 2.706 2.313 2.729 . 0 0 "[ . 1 . 2]" 1
641 1 64 SER HB2 1 65 GLY H . . 4.000 3.638 3.603 4.014 0.014 16 0 "[ . 1 . 2]" 1
642 1 64 SER H 1 65 GLY H . . 4.600 4.341 4.280 4.347 . 0 0 "[ . 1 . 2]" 1
643 1 64 SER H 1 64 SER HB2 . . 4.000 3.220 3.163 3.426 . 0 0 "[ . 1 . 2]" 1
644 1 64 SER H 1 64 SER HG . . 5.000 4.561 4.338 4.939 . 0 0 "[ . 1 . 2]" 1
645 1 65 GLY HA3 1 66 LYS HB3 . . 6.400 6.337 6.205 6.408 0.008 6 0 "[ . 1 . 2]" 1
646 1 65 GLY HA2 1 66 LYS HA . . 5.000 4.449 4.338 4.473 . 0 0 "[ . 1 . 2]" 1
647 1 65 GLY HA2 1 66 LYS H . . 3.500 2.882 2.339 3.053 . 0 0 "[ . 1 . 2]" 1
648 1 65 GLY HA3 1 66 LYS H . . 3.500 3.509 3.445 3.540 0.040 6 0 "[ . 1 . 2]" 1
649 1 65 GLY H 1 66 LYS H . . 4.500 2.979 2.703 4.027 . 0 0 "[ . 1 . 2]" 1
650 1 33 ALA H 1 66 LYS HA . . 5.000 3.935 3.543 4.176 . 0 0 "[ . 1 . 2]" 1
651 1 32 THR HA 1 66 LYS HG2 . . 5.000 3.900 2.013 4.816 . 0 0 "[ . 1 . 2]" 1
652 1 66 LYS HA 1 67 PHE HB2 . . 5.000 4.056 3.949 4.337 . 0 0 "[ . 1 . 2]" 1
653 1 66 LYS HE2 1 67 PHE H . . 6.000 5.711 5.129 6.002 0.002 5 0 "[ . 1 . 2]" 1
654 1 66 LYS HB2 1 67 PHE H . . 4.000 3.814 3.350 3.990 . 0 0 "[ . 1 . 2]" 1
655 1 66 LYS HG2 1 67 PHE H . . 5.000 3.989 3.430 4.745 . 0 0 "[ . 1 . 2]" 1
656 1 66 LYS HA 1 67 PHE H . . 3.500 2.412 2.264 2.436 . 0 0 "[ . 1 . 2]" 1
657 1 66 LYS H 1 67 PHE H . . 4.500 4.480 4.406 4.490 . 0 0 "[ . 1 . 2]" 1
658 1 66 LYS H 1 66 LYS HB2 . . 4.000 2.500 2.424 2.834 . 0 0 "[ . 1 . 2]" 1
659 1 66 LYS H 1 66 LYS HB3 . . 4.000 3.617 3.370 3.887 . 0 0 "[ . 1 . 2]" 1
660 1 66 LYS H 1 66 LYS HG2 . . 5.000 4.380 2.970 4.870 . 0 0 "[ . 1 . 2]" 1
661 1 66 LYS H 1 66 LYS HE2 . . 5.300 4.901 2.970 5.303 0.003 12 0 "[ . 1 . 2]" 1
662 1 67 PHE HA 1 71 THR MG . . 5.000 4.385 4.069 4.510 . 0 0 "[ . 1 . 2]" 1
663 1 67 PHE HA 1 71 THR HB . . 5.000 4.314 4.040 4.443 . 0 0 "[ . 1 . 2]" 1
664 1 67 PHE HB3 1 68 ASP H . . 4.000 3.520 3.133 4.013 0.013 16 0 "[ . 1 . 2]" 1
665 1 67 PHE HB2 1 68 ASP H . . 4.600 4.382 4.241 4.475 . 0 0 "[ . 1 . 2]" 1
666 1 67 PHE HA 1 68 ASP H . . 3.500 2.172 2.140 2.187 . 0 0 "[ . 1 . 2]" 1
667 1 67 PHE H 1 68 ASP H . . 4.500 4.369 4.135 4.452 . 0 0 "[ . 1 . 2]" 1
668 1 67 PHE H 1 67 PHE HB2 . . 4.000 2.583 2.417 2.960 . 0 0 "[ . 1 . 2]" 1
669 1 67 PHE H 1 67 PHE HB3 . . 4.000 3.300 2.973 3.638 . 0 0 "[ . 1 . 2]" 1
670 1 68 ASP HA 1 71 THR H . . 4.500 4.529 4.420 4.580 0.080 16 0 "[ . 1 . 2]" 1
671 1 68 ASP HA 1 70 GLU H . . 5.000 4.123 3.966 4.246 . 0 0 "[ . 1 . 2]" 1
672 1 68 ASP HA 1 72 PHE H . . 5.700 5.595 5.148 5.781 0.081 17 0 "[ . 1 . 2]" 1
673 1 68 ASP HB2 1 71 THR H . . 5.000 4.188 3.419 4.522 . 0 0 "[ . 1 . 2]" 1
674 1 68 ASP HB2 1 70 GLU H . . 5.000 4.134 2.634 4.752 . 0 0 "[ . 1 . 2]" 1
675 1 68 ASP HB3 1 70 GLU H . . 5.000 4.031 3.574 4.536 . 0 0 "[ . 1 . 2]" 1
676 1 68 ASP HA 1 69 GLN H . . 3.500 2.192 2.186 2.201 . 0 0 "[ . 1 . 2]" 1
677 1 68 ASP HB2 1 69 GLN H . . 4.200 3.789 3.032 4.213 0.013 19 0 "[ . 1 . 2]" 1
678 1 68 ASP HB3 1 69 GLN H . . 4.300 4.101 3.930 4.219 . 0 0 "[ . 1 . 2]" 1
679 1 68 ASP H 1 69 GLN H . . 4.500 4.463 4.442 4.475 . 0 0 "[ . 1 . 2]" 1
680 1 68 ASP H 1 68 ASP HB2 . . 4.000 3.241 2.823 3.733 . 0 0 "[ . 1 . 2]" 1
681 1 68 ASP H 1 68 ASP HB3 . . 4.000 2.658 2.417 3.183 . 0 0 "[ . 1 . 2]" 1
682 1 69 GLN HA 1 72 PHE HB2 . . 4.500 3.702 2.884 4.356 . 0 0 "[ . 1 . 2]" 1
683 1 69 GLN HA 1 71 THR H . . 4.500 4.208 4.108 4.500 . 0 0 "[ . 1 . 2]" 1
684 1 69 GLN HA 1 73 LEU H . . 4.500 4.168 4.007 4.390 . 0 0 "[ . 1 . 2]" 1
685 1 69 GLN HA 1 72 PHE H . . 4.500 3.423 3.346 3.604 . 0 0 "[ . 1 . 2]" 1
686 1 69 GLN HA 1 70 GLU H . . 3.500 3.536 3.505 3.554 0.054 14 0 "[ . 1 . 2]" 1
687 1 69 GLN HB2 1 72 PHE H . . 5.700 5.534 5.127 5.694 . 0 0 "[ . 1 . 2]" 1
688 1 69 GLN HB2 1 70 GLU H . . 4.000 2.842 2.449 3.919 . 0 0 "[ . 1 . 2]" 1
689 1 69 GLN HG2 1 70 GLU H . . 5.000 4.744 3.729 5.068 0.068 16 0 "[ . 1 . 2]" 1
690 1 69 GLN H 1 71 THR H . . 4.300 4.301 4.253 4.354 0.054 12 0 "[ . 1 . 2]" 1
691 1 69 GLN H 1 70 GLU H . . 3.500 2.864 2.808 2.914 . 0 0 "[ . 1 . 2]" 1
692 1 69 GLN H 1 69 GLN HB2 . . 4.000 2.773 2.306 3.595 . 0 0 "[ . 1 . 2]" 1
693 1 69 GLN H 1 69 GLN HG2 . . 5.000 3.439 2.641 3.862 . 0 0 "[ . 1 . 2]" 1
694 1 70 GLU HA 1 73 LEU MD1 . . 5.000 2.935 2.266 3.714 . 0 0 "[ . 1 . 2]" 1
695 1 70 GLU HA 1 73 LEU HB3 . . 4.500 3.835 3.061 4.376 . 0 0 "[ . 1 . 2]" 1
696 1 70 GLU HA 1 74 THR H . . 4.500 4.059 3.977 4.137 . 0 0 "[ . 1 . 2]" 1
697 1 70 GLU HA 1 73 LEU H . . 3.500 3.519 3.457 3.568 0.068 11 0 "[ . 1 . 2]" 1
698 1 70 GLU HA 1 71 THR H . . 3.500 3.524 3.509 3.539 0.039 2 0 "[ . 1 . 2]" 1
699 1 70 GLU HB2 1 71 THR H . . 4.000 3.429 2.852 3.735 . 0 0 "[ . 1 . 2]" 1
700 1 70 GLU HB3 1 71 THR H . . 4.000 2.843 2.684 3.377 . 0 0 "[ . 1 . 2]" 1
701 1 70 GLU HG2 1 71 THR H . . 5.000 4.700 4.398 4.981 . 0 0 "[ . 1 . 2]" 1
702 1 70 GLU H 1 71 THR H . . 3.500 2.740 2.592 2.788 . 0 0 "[ . 1 . 2]" 1
703 1 70 GLU H 1 70 GLU HB2 . . 4.000 2.150 2.068 2.266 . 0 0 "[ . 1 . 2]" 1
704 1 70 GLU H 1 70 GLU HB3 . . 4.000 3.086 2.815 3.526 . 0 0 "[ . 1 . 2]" 1
705 1 70 GLU H 1 70 GLU HG2 . . 5.000 4.292 3.109 4.662 . 0 0 "[ . 1 . 2]" 1
706 1 70 GLU H 1 70 GLU HG3 . . 5.000 3.958 2.837 4.394 . 0 0 "[ . 1 . 2]" 1
707 1 71 THR HA 1 74 THR HB . . 4.500 2.920 2.661 4.316 . 0 0 "[ . 1 . 2]" 1
708 1 71 THR HA 1 74 THR H . . 3.700 3.558 3.474 3.639 . 0 0 "[ . 1 . 2]" 1
709 1 71 THR HA 1 72 PHE H . . 3.500 3.550 3.541 3.559 0.059 13 0 "[ . 1 . 2]" 1
710 1 71 THR HB 1 72 PHE H . . 4.000 2.526 2.443 2.597 . 0 0 "[ . 1 . 2]" 1
711 1 71 THR MG 1 72 PHE H . . 5.000 3.379 3.287 3.514 . 0 0 "[ . 1 . 2]" 1
712 1 71 THR H 1 72 PHE H . . 3.500 2.716 2.661 2.775 . 0 0 "[ . 1 . 2]" 1
713 1 71 THR H 1 71 THR HB . . 4.000 2.526 2.477 2.618 . 0 0 "[ . 1 . 2]" 1
714 1 72 PHE HA 1 75 ILE MD . . 5.000 2.180 1.959 4.103 . 0 0 "[ . 1 . 2]" 1
715 1 72 PHE HA 1 76 MET HG2 . . 5.000 4.960 4.664 5.011 0.011 3 0 "[ . 1 . 2]" 1
716 1 72 PHE HA 1 75 ILE HB . . 4.700 3.233 2.802 4.751 0.051 16 0 "[ . 1 . 2]" 1
717 1 72 PHE HA 1 76 MET H . . 4.500 3.959 3.849 4.046 . 0 0 "[ . 1 . 2]" 1
718 1 72 PHE HA 1 75 ILE H . . 3.700 3.471 3.369 3.539 . 0 0 "[ . 1 . 2]" 1
719 1 72 PHE HB2 1 73 LEU H . . 4.200 3.768 3.175 4.073 . 0 0 "[ . 1 . 2]" 1
720 1 72 PHE HB3 1 73 LEU H . . 4.000 2.709 2.589 2.937 . 0 0 "[ . 1 . 2]" 1
721 1 72 PHE HA 1 73 LEU H . . 3.500 3.536 3.515 3.558 0.058 10 0 "[ . 1 . 2]" 1
722 1 72 PHE H 1 74 THR H . . 4.000 4.003 3.915 4.035 0.035 15 0 "[ . 1 . 2]" 1
723 1 72 PHE H 1 73 LEU H . . 3.500 2.642 2.553 2.730 . 0 0 "[ . 1 . 2]" 1
724 1 72 PHE H 1 72 PHE HB2 . . 4.000 2.525 2.075 3.000 . 0 0 "[ . 1 . 2]" 1
725 1 72 PHE H 1 72 PHE HB3 . . 4.000 2.609 2.158 3.259 . 0 0 "[ . 1 . 2]" 1
726 1 73 LEU HA 1 76 MET HG2 . . 5.000 2.252 1.987 2.367 . 0 0 "[ . 1 . 2]" 1
727 1 16 TYR HB2 1 73 LEU MD1 . . 5.500 5.117 3.567 5.554 0.054 2 0 "[ . 1 . 2]" 1
728 1 73 LEU HA 1 76 MET HB2 . . 4.700 4.685 4.571 4.742 0.042 12 0 "[ . 1 . 2]" 1
729 1 73 LEU HA 1 77 LEU H . . 4.500 4.031 3.926 4.119 . 0 0 "[ . 1 . 2]" 1
730 1 73 LEU HA 1 76 MET H . . 3.700 3.692 3.627 3.715 0.015 8 0 "[ . 1 . 2]" 1
731 1 73 LEU HA 1 74 THR H . . 3.500 3.503 3.479 3.515 0.015 10 0 "[ . 1 . 2]" 1
732 1 73 LEU HB2 1 74 THR H . . 4.300 3.079 2.822 3.590 . 0 0 "[ . 1 . 2]" 1
733 1 73 LEU HB3 1 74 THR H . . 4.000 3.314 2.826 3.737 . 0 0 "[ . 1 . 2]" 1
734 1 73 LEU HG 1 74 THR H . . 5.000 4.944 4.753 5.028 0.028 9 0 "[ . 1 . 2]" 1
735 1 73 LEU MD1 1 74 THR H . . 5.000 4.541 4.123 4.906 . 0 0 "[ . 1 . 2]" 1
736 1 73 LEU H 1 74 THR H . . 3.500 2.592 2.510 2.714 . 0 0 "[ . 1 . 2]" 1
737 1 73 LEU H 1 73 LEU HB2 . . 4.000 2.153 2.055 2.325 . 0 0 "[ . 1 . 2]" 1
738 1 73 LEU H 1 73 LEU HB3 . . 4.000 3.378 2.937 3.562 . 0 0 "[ . 1 . 2]" 1
739 1 73 LEU H 1 73 LEU HG . . 5.000 3.526 2.868 4.165 . 0 0 "[ . 1 . 2]" 1
740 1 73 LEU H 1 73 LEU MD1 . . 5.000 3.029 2.598 3.908 . 0 0 "[ . 1 . 2]" 1
741 1 73 LEU H 1 73 LEU MD2 . . 5.000 4.326 4.140 4.441 . 0 0 "[ . 1 . 2]" 1
742 1 74 THR HA 1 77 LEU HB2 . . 4.500 3.388 2.405 3.914 . 0 0 "[ . 1 . 2]" 1
743 1 74 THR HA 1 77 LEU H . . 3.500 3.529 3.518 3.556 0.056 12 0 "[ . 1 . 2]" 1
744 1 74 THR HA 1 75 ILE H . . 3.500 3.533 3.522 3.544 0.044 9 0 "[ . 1 . 2]" 1
745 1 74 THR HB 1 75 ILE H . . 4.000 2.686 2.567 3.440 . 0 0 "[ . 1 . 2]" 1
746 1 74 THR MG 1 75 ILE H . . 5.000 3.543 3.432 4.117 . 0 0 "[ . 1 . 2]" 1
747 1 74 THR H 1 75 ILE H . . 3.500 2.539 2.503 2.578 . 0 0 "[ . 1 . 2]" 1
748 1 74 THR H 1 74 THR HB . . 4.000 2.565 2.474 3.555 . 0 0 "[ . 1 . 2]" 1
749 1 75 ILE HA 1 78 GLU HG2 . . 5.000 4.384 1.992 4.955 . 0 0 "[ . 1 . 2]" 1
750 1 75 ILE HA 1 78 GLU HB3 . . 4.500 3.474 2.862 4.359 . 0 0 "[ . 1 . 2]" 1
751 1 75 ILE HA 1 78 GLU H . . 3.500 3.518 3.474 3.565 0.065 16 0 "[ . 1 . 2]" 1
752 1 75 ILE HA 1 77 LEU H . . 4.500 4.188 4.108 4.244 . 0 0 "[ . 1 . 2]" 1
753 1 75 ILE HA 1 76 MET H . . 3.500 3.549 3.515 3.559 0.059 10 0 "[ . 1 . 2]" 1
754 1 75 ILE HB 1 76 MET H . . 4.000 2.740 2.442 3.944 . 0 0 "[ . 1 . 2]" 1
755 1 75 ILE MG 1 76 MET H . . 5.000 3.345 2.087 3.925 . 0 0 "[ . 1 . 2]" 1
756 1 75 ILE HG12 1 76 MET H . . 5.000 4.592 2.433 5.054 0.054 1 0 "[ . 1 . 2]" 1
757 1 75 ILE HG13 1 76 MET H . . 5.000 4.005 2.302 4.791 . 0 0 "[ . 1 . 2]" 1
758 1 75 ILE MD 1 76 MET H . . 5.000 4.134 3.797 4.524 . 0 0 "[ . 1 . 2]" 1
759 1 75 ILE H 1 76 MET H . . 3.500 2.642 2.531 2.690 . 0 0 "[ . 1 . 2]" 1
760 1 75 ILE H 1 75 ILE HB . . 4.000 2.682 2.492 3.624 . 0 0 "[ . 1 . 2]" 1
761 1 75 ILE H 1 75 ILE HG12 . . 5.000 3.482 1.999 4.446 . 0 0 "[ . 1 . 2]" 1
762 1 75 ILE H 1 75 ILE HG13 . . 5.000 2.486 2.178 4.488 . 0 0 "[ . 1 . 2]" 1
763 1 75 ILE H 1 75 ILE MD . . 5.000 3.237 3.045 4.411 . 0 0 "[ . 1 . 2]" 1
764 1 12 GLU HG2 1 76 MET HG2 . . 5.000 4.650 4.010 5.019 0.019 10 0 "[ . 1 . 2]" 1
765 1 76 MET HA 1 79 TYR HB3 . . 5.000 3.425 2.780 4.139 . 0 0 "[ . 1 . 2]" 1
766 1 76 MET HA 1 80 GLY H . . 4.500 4.048 3.561 4.475 . 0 0 "[ . 1 . 2]" 1
767 1 76 MET HA 1 79 TYR H . . 3.500 3.512 3.475 3.560 0.060 9 0 "[ . 1 . 2]" 1
768 1 76 MET HB2 1 77 LEU H . . 4.000 3.934 3.861 4.050 0.050 9 0 "[ . 1 . 2]" 1
769 1 76 MET HG2 1 77 LEU H . . 5.000 3.875 2.563 4.069 . 0 0 "[ . 1 . 2]" 1
770 1 76 MET HA 1 77 LEU H . . 3.500 3.477 3.459 3.485 . 0 0 "[ . 1 . 2]" 1
771 1 76 MET H 1 77 LEU H . . 3.500 2.531 2.445 2.557 . 0 0 "[ . 1 . 2]" 1
772 1 76 MET H 1 76 MET HB2 . . 4.000 3.593 3.585 3.602 . 0 0 "[ . 1 . 2]" 1
773 1 76 MET H 1 76 MET HG2 . . 5.000 3.097 2.333 3.306 . 0 0 "[ . 1 . 2]" 1
774 1 77 LEU HA 1 80 GLY H . . 3.500 3.453 3.346 3.505 0.005 20 0 "[ . 1 . 2]" 1
775 1 77 LEU HA 1 79 TYR H . . 4.200 4.190 4.123 4.222 0.022 9 0 "[ . 1 . 2]" 1
776 1 77 LEU HA 1 78 GLU H . . 3.500 3.525 3.518 3.536 0.036 15 0 "[ . 1 . 2]" 1
777 1 77 LEU HB2 1 78 GLU H . . 4.000 3.668 2.783 3.991 . 0 0 "[ . 1 . 2]" 1
778 1 77 LEU MD1 1 78 GLU H . . 5.000 4.634 3.179 4.905 . 0 0 "[ . 1 . 2]" 1
779 1 77 LEU H 1 78 GLU H . . 3.500 2.456 2.437 2.480 . 0 0 "[ . 1 . 2]" 1
780 1 77 LEU H 1 77 LEU HB2 . . 4.000 2.555 2.173 2.732 . 0 0 "[ . 1 . 2]" 1
781 1 77 LEU H 1 77 LEU MD1 . . 5.000 4.127 3.648 4.344 . 0 0 "[ . 1 . 2]" 1
782 1 77 LEU H 1 77 LEU MD2 . . 5.000 4.051 3.890 4.213 . 0 0 "[ . 1 . 2]" 1
783 1 78 GLU HA 1 80 GLY H . . 4.500 4.285 4.044 4.525 0.025 10 0 "[ . 1 . 2]" 1
784 1 78 GLU H 1 79 TYR H . . 3.500 2.470 2.457 2.476 . 0 0 "[ . 1 . 2]" 1
785 1 78 GLU HA 1 79 TYR H . . 3.500 3.476 3.461 3.482 . 0 0 "[ . 1 . 2]" 1
786 1 78 GLU HB2 1 79 TYR H . . 4.200 3.792 3.015 4.131 . 0 0 "[ . 1 . 2]" 1
787 1 78 GLU HG2 1 79 TYR H . . 5.000 4.386 2.471 4.997 . 0 0 "[ . 1 . 2]" 1
788 1 78 GLU H 1 78 GLU HB2 . . 4.000 2.644 2.112 3.608 . 0 0 "[ . 1 . 2]" 1
789 1 78 GLU H 1 78 GLU HG2 . . 5.000 3.877 2.213 4.662 . 0 0 "[ . 1 . 2]" 1
790 1 79 TYR HA 1 80 GLY H . . 3.500 3.489 3.463 3.518 0.018 12 0 "[ . 1 . 2]" 1
791 1 79 TYR HB2 1 80 GLY H . . 4.000 3.521 2.969 3.983 . 0 0 "[ . 1 . 2]" 1
792 1 79 TYR HB3 1 80 GLY H . . 4.000 3.110 2.791 3.515 . 0 0 "[ . 1 . 2]" 1
793 1 79 TYR H 1 80 GLY H . . 3.500 2.357 2.209 2.471 . 0 0 "[ . 1 . 2]" 1
794 1 79 TYR H 1 79 TYR HB2 . . 4.000 2.275 2.096 2.643 . 0 0 "[ . 1 . 2]" 1
795 1 79 TYR H 1 79 TYR HB3 . . 4.000 3.051 2.534 3.503 . 0 0 "[ . 1 . 2]" 1
796 1 80 GLY H 1 81 GLN H . . 3.500 2.864 2.343 3.490 . 0 0 "[ . 1 . 2]" 1
797 1 80 GLY HA2 1 81 GLN H . . 3.500 3.184 2.244 3.501 0.001 15 0 "[ . 1 . 2]" 1
798 1 80 GLY HA3 1 81 GLN H . . 3.500 3.145 2.208 3.503 0.003 20 0 "[ . 1 . 2]" 1
799 1 81 GLN HA 1 82 GLU H . . 3.500 3.295 2.227 3.556 0.056 5 0 "[ . 1 . 2]" 1
800 1 81 GLN HB2 1 82 GLU H . . 4.000 3.538 2.003 4.022 0.022 10 0 "[ . 1 . 2]" 1
801 1 81 GLN HG2 1 82 GLU H . . 5.000 4.276 2.602 4.980 . 0 0 "[ . 1 . 2]" 1
802 1 81 GLN H 1 82 GLU H . . 3.500 2.542 1.898 3.364 . 0 0 "[ . 1 . 2]" 1
803 1 81 GLN H 1 81 GLN HB2 . . 4.000 2.860 2.149 4.007 0.007 9 0 "[ . 1 . 2]" 1
804 1 81 GLN H 1 81 GLN HG2 . . 5.000 3.762 2.644 4.998 . 0 0 "[ . 1 . 2]" 1
805 1 82 GLU HA 1 83 VAL H . . 3.500 2.982 2.261 3.555 0.055 12 0 "[ . 1 . 2]" 1
806 1 82 GLU HB2 1 83 VAL H . . 4.000 3.679 2.376 4.061 0.061 2 0 "[ . 1 . 2]" 1
807 1 82 GLU HB3 1 83 VAL H . . 4.000 2.932 2.059 4.033 0.033 2 0 "[ . 1 . 2]" 1
808 1 82 GLU H 1 82 GLU HB2 . . 4.000 2.830 2.067 3.595 . 0 0 "[ . 1 . 2]" 1
809 1 82 GLU H 1 82 GLU HB3 . . 4.000 3.390 2.401 4.049 0.049 1 0 "[ . 1 . 2]" 1
810 1 83 VAL HA 1 84 ASP H . . 3.500 2.745 2.210 3.501 0.001 19 0 "[ . 1 . 2]" 1
811 1 83 VAL HB 1 84 ASP H . . 4.000 3.086 2.053 3.987 . 0 0 "[ . 1 . 2]" 1
812 1 83 VAL MG1 1 84 ASP H . . 5.000 3.575 1.951 4.087 . 0 0 "[ . 1 . 2]" 1
813 1 83 VAL H 1 83 VAL HB . . 4.000 3.432 2.472 3.893 . 0 0 "[ . 1 . 2]" 1
814 1 84 ASP HA 1 85 SER H . . 3.500 2.795 2.175 3.493 . 0 0 "[ . 1 . 2]" 1
815 1 84 ASP HB2 1 85 SER H . . 4.000 3.271 1.952 3.991 . 0 0 "[ . 1 . 2]" 1
816 1 84 ASP HB3 1 85 SER H . . 4.000 3.025 1.995 3.855 . 0 0 "[ . 1 . 2]" 1
817 1 84 ASP H 1 84 ASP HB2 . . 4.000 2.822 2.087 4.004 0.004 10 0 "[ . 1 . 2]" 1
818 1 84 ASP H 1 84 ASP HB3 . . 4.000 3.524 2.523 3.988 . 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 22
_Distance_constraint_stats_list.Viol_count 82
_Distance_constraint_stats_list.Viol_total 7.943
_Distance_constraint_stats_list.Viol_max 0.010
_Distance_constraint_stats_list.Viol_rms 0.0022
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0048
_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 24 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ASP 0.001 0.001 10 0 "[ . 1 . 2]"
1 28 ASP 0.017 0.005 10 0 "[ . 1 . 2]"
1 30 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLU 0.013 0.004 1 0 "[ . 1 . 2]"
1 60 ASP 0.010 0.004 19 0 "[ . 1 . 2]"
1 62 ASP 0.117 0.010 15 0 "[ . 1 . 2]"
1 64 SER 0.099 0.008 4 0 "[ . 1 . 2]"
1 66 LYS 0.004 0.001 5 0 "[ . 1 . 2]"
1 71 THR 0.137 0.010 6 0 "[ . 1 . 2]"
2 1 CA 0.031 0.005 10 0 "[ . 1 . 2]"
3 1 CA 0.366 0.010 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 24 ASP CG 2 1 CA CA . . 5.000 3.778 2.603 4.445 . 0 0 "[ . 1 . 2]" 2
2 1 24 ASP OD1 2 1 CA CA . . 5.000 2.874 2.195 3.438 . 0 0 "[ . 1 . 2]" 2
3 1 24 ASP OD2 2 1 CA CA . . 5.000 4.430 2.147 5.000 . 0 0 "[ . 1 . 2]" 2
4 1 26 ASP CG 2 1 CA CA . . 5.000 3.541 2.786 4.482 . 0 0 "[ . 1 . 2]" 2
5 1 26 ASP OD1 2 1 CA CA . . 5.000 4.096 2.258 5.000 0.000 10 0 "[ . 1 . 2]" 2
6 1 26 ASP OD2 2 1 CA CA . . 5.000 3.438 2.115 5.001 0.001 10 0 "[ . 1 . 2]" 2
7 1 28 ASP CG 2 1 CA CA . . 5.000 4.131 3.637 4.715 . 0 0 "[ . 1 . 2]" 2
8 1 28 ASP OD1 2 1 CA CA . . 5.000 4.730 3.462 5.005 0.005 10 0 "[ . 1 . 2]" 2
9 1 28 ASP OD2 2 1 CA CA . . 5.000 4.038 2.526 5.004 0.004 8 0 "[ . 1 . 2]" 2
10 1 30 LYS O 2 1 CA CA . . 5.000 4.088 3.146 4.909 . 0 0 "[ . 1 . 2]" 2
11 1 35 GLU OE1 2 1 CA CA . . 5.000 4.416 3.420 5.004 0.004 1 0 "[ . 1 . 2]" 2
12 1 35 GLU OE2 2 1 CA CA . . 5.000 4.454 3.312 5.002 0.002 10 0 "[ . 1 . 2]" 2
13 1 35 GLU CD 2 1 CA CA . . 5.000 4.735 4.054 5.004 0.004 10 0 "[ . 1 . 2]" 2
14 1 60 ASP CG 3 1 CA CA . . 5.000 4.087 2.622 5.001 0.001 16 0 "[ . 1 . 2]" 2
15 1 60 ASP OD1 3 1 CA CA . . 5.000 4.223 2.467 5.000 . 0 0 "[ . 1 . 2]" 2
16 1 60 ASP OD2 3 1 CA CA . . 5.000 4.250 2.518 5.004 0.004 19 0 "[ . 1 . 2]" 2
17 1 62 ASP CG 3 1 CA CA . . 5.000 5.006 5.003 5.010 0.010 15 0 "[ . 1 . 2]" 2
18 1 62 ASP OD1 3 1 CA CA . . 5.000 4.777 4.252 5.000 . 0 0 "[ . 1 . 2]" 2
19 1 62 ASP OD2 3 1 CA CA . . 5.000 4.613 4.429 4.947 . 0 0 "[ . 1 . 2]" 2
20 1 64 SER O 3 1 CA CA . . 5.000 5.005 5.002 5.008 0.008 4 0 "[ . 1 . 2]" 2
21 1 66 LYS O 3 1 CA CA . . 5.000 4.750 4.113 5.001 0.001 5 0 "[ . 1 . 2]" 2
22 1 71 THR OG1 3 1 CA CA . . 5.000 5.007 5.003 5.010 0.010 6 0 "[ . 1 . 2]" 2
stop_
save_
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