NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
451137 |
2ro9   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ro9
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 966
_Distance_constraint_stats_list.Viol_count 1369
_Distance_constraint_stats_list.Viol_total 3835.521
_Distance_constraint_stats_list.Viol_max 0.704
_Distance_constraint_stats_list.Viol_rms 0.0468
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0099
_Distance_constraint_stats_list.Viol_average_violations_only 0.1401
_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 ASP 0.129 0.067 2 0 "[ . 1 . 2]"
1 2 SER 2.351 0.308 6 0 "[ . 1 . 2]"
1 3 GLU 3.797 0.241 15 0 "[ . 1 . 2]"
1 4 GLU 1.155 0.704 9 1 "[ . +1 . 2]"
1 5 GLU 10.368 0.511 6 1 "[ .+ 1 . 2]"
1 6 LEU 16.826 0.511 6 1 "[ .+ 1 . 2]"
1 7 LYS 9.353 0.312 12 0 "[ . 1 . 2]"
1 8 GLU 2.815 0.608 4 2 "[ +. - . 2]"
1 9 ALA 2.118 0.122 16 0 "[ . 1 . 2]"
1 10 PHE 13.101 0.415 3 0 "[ . 1 . 2]"
1 11 ARG 7.961 0.469 9 0 "[ . 1 . 2]"
1 12 VAL 4.201 0.281 17 0 "[ . 1 . 2]"
1 13 PHE 13.376 0.483 19 0 "[ . 1 . 2]"
1 14 ASP 3.210 0.294 8 0 "[ . 1 . 2]"
1 15 LYS 6.203 0.353 7 0 "[ . 1 . 2]"
1 16 ASP 0.390 0.128 2 0 "[ . 1 . 2]"
1 17 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ASN 0.390 0.128 2 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 PHE 16.579 0.426 5 0 "[ . 1 . 2]"
1 21 ILE 5.068 0.196 4 0 "[ . 1 . 2]"
1 22 SER 2.121 0.276 15 0 "[ . 1 . 2]"
1 23 ALA 0.590 0.203 13 0 "[ . 1 . 2]"
1 24 ALA 0.542 0.147 8 0 "[ . 1 . 2]"
1 25 GLU 0.566 0.133 12 0 "[ . 1 . 2]"
1 26 LEU 2.040 0.193 5 0 "[ . 1 . 2]"
1 27 ARG 3.449 0.413 4 0 "[ . 1 . 2]"
1 28 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 VAL 4.982 0.430 3 0 "[ . 1 . 2]"
1 30 MET 4.523 0.216 1 0 "[ . 1 . 2]"
1 31 THR 1.326 0.349 18 0 "[ . 1 . 2]"
1 32 ASN 0.806 0.165 20 0 "[ . 1 . 2]"
1 33 LEU 5.353 0.326 17 0 "[ . 1 . 2]"
1 34 GLY 0.500 0.309 17 0 "[ . 1 . 2]"
1 35 GLU 8.675 0.326 17 0 "[ . 1 . 2]"
1 36 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LEU 6.046 0.422 16 0 "[ . 1 . 2]"
1 38 THR 12.035 0.450 19 0 "[ . 1 . 2]"
1 39 ASP 7.563 0.450 19 0 "[ . 1 . 2]"
1 40 GLU 3.997 0.298 11 0 "[ . 1 . 2]"
1 41 GLU 5.014 0.298 14 0 "[ . 1 . 2]"
1 42 VAL 6.563 0.422 16 0 "[ . 1 . 2]"
1 43 ASP 7.880 0.359 3 0 "[ . 1 . 2]"
1 44 GLU 2.335 0.193 15 0 "[ . 1 . 2]"
1 45 MET 6.165 0.255 5 0 "[ . 1 . 2]"
1 46 ILE 11.826 0.359 3 0 "[ . 1 . 2]"
1 47 ARG 0.227 0.067 17 0 "[ . 1 . 2]"
1 48 GLU 0.348 0.065 18 0 "[ . 1 . 2]"
1 49 ALA 7.083 0.486 16 0 "[ . 1 . 2]"
1 50 ASP 2.145 0.267 3 0 "[ . 1 . 2]"
1 51 VAL 17.671 0.568 7 2 "[ . + 1 . - 2]"
1 52 ASP 2.904 0.552 18 1 "[ . 1 . + 2]"
1 53 GLY 13.558 0.568 7 1 "[ . + 1 . 2]"
1 54 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLY 0.312 0.102 16 0 "[ . 1 . 2]"
1 56 GLN 13.182 0.426 5 0 "[ . 1 . 2]"
1 57 ILE 8.091 0.339 1 0 "[ . 1 . 2]"
1 58 ASN 3.293 0.273 6 0 "[ . 1 . 2]"
1 59 TYR 5.925 0.268 13 0 "[ . 1 . 2]"
1 60 GLU 0.772 0.147 19 0 "[ . 1 . 2]"
1 61 GLU 4.072 0.231 19 0 "[ . 1 . 2]"
1 62 PHE 16.109 0.483 19 0 "[ . 1 . 2]"
1 63 VAL 2.808 0.205 12 0 "[ . 1 . 2]"
1 64 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 VAL 9.572 0.486 16 0 "[ . 1 . 2]"
1 66 MET 2.012 0.309 7 0 "[ . 1 . 2]"
1 67 MET 0.097 0.067 1 0 "[ . 1 . 2]"
1 68 ALA 0.179 0.066 13 0 "[ . 1 . 2]"
1 69 LYS 1.202 0.375 7 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 1 ASP HA 1 2 SER H 3.500 . 3.500 3.120 2.152 3.567 0.067 2 0 "[ . 1 . 2]" 1
2 1 1 ASP QB 1 2 SER HA 5.500 . 5.500 4.313 3.808 4.833 . 0 0 "[ . 1 . 2]" 1
3 1 1 ASP QB 1 2 SER H 4.130 . 4.130 2.897 1.721 3.958 . 0 0 "[ . 1 . 2]" 1
4 1 1 ASP HB3 1 2 SER H 4.750 . 4.750 3.343 1.833 4.473 . 0 0 "[ . 1 . 2]" 1
5 1 1 ASP HB2 1 2 SER H 4.750 . 4.750 3.453 1.909 4.486 . 0 0 "[ . 1 . 2]" 1
6 1 2 SER HA 1 5 GLU HB2 4.800 . 4.800 3.730 3.399 3.923 . 0 0 "[ . 1 . 2]" 1
7 1 2 SER HA 1 5 GLU QG 4.150 . 4.150 3.748 2.198 4.229 0.079 3 0 "[ . 1 . 2]" 1
8 1 2 SER H 1 2 SER HB3 3.790 . 3.790 3.395 2.738 3.605 . 0 0 "[ . 1 . 2]" 1
9 1 2 SER H 1 2 SER HB2 3.790 . 3.790 2.603 2.269 3.568 . 0 0 "[ . 1 . 2]" 1
10 1 2 SER H 1 3 GLU QB 4.900 . 4.900 4.450 4.373 4.528 . 0 0 "[ . 1 . 2]" 1
11 1 2 SER H 1 4 GLU H 4.570 . 4.570 4.193 4.073 4.550 . 0 0 "[ . 1 . 2]" 1
12 1 2 SER QB 1 3 GLU H 4.390 . 4.390 2.498 2.304 3.162 . 0 0 "[ . 1 . 2]" 1
13 1 2 SER QB 1 3 GLU QB 4.230 . 4.230 3.942 3.734 4.435 0.205 20 0 "[ . 1 . 2]" 1
14 1 2 SER QB 1 6 LEU QD 4.850 . 4.850 4.916 4.682 5.158 0.308 6 0 "[ . 1 . 2]" 1
15 1 3 GLU HA 1 3 GLU QG 2.660 . 2.660 2.481 2.252 2.758 0.098 14 0 "[ . 1 . 2]" 1
16 1 3 GLU HA 1 6 LEU HB3 3.950 . 3.950 2.745 2.625 2.827 . 0 0 "[ . 1 . 2]" 1
17 1 3 GLU HA 1 6 LEU QD 3.810 . 3.810 3.460 3.372 3.514 . 0 0 "[ . 1 . 2]" 1
18 1 3 GLU H 1 3 GLU QB 3.280 . 3.280 2.144 2.023 2.231 . 0 0 "[ . 1 . 2]" 1
19 1 3 GLU H 1 3 GLU QG 4.420 . 4.420 3.669 2.790 4.042 . 0 0 "[ . 1 . 2]" 1
20 1 3 GLU H 1 4 GLU H 3.370 . 3.370 2.777 2.700 2.876 . 0 0 "[ . 1 . 2]" 1
21 1 3 GLU H 1 5 GLU H 4.630 . 4.630 4.158 4.083 4.273 . 0 0 "[ . 1 . 2]" 1
22 1 3 GLU QB 1 3 GLU QG 2.180 . 2.180 2.035 2.010 2.051 . 0 0 "[ . 1 . 2]" 1
23 1 3 GLU QB 1 6 LEU QD 4.610 . 4.610 4.711 4.495 4.851 0.241 15 0 "[ . 1 . 2]" 1
24 1 3 GLU QG 1 6 LEU QD 3.950 . 3.950 3.873 3.194 4.111 0.161 16 0 "[ . 1 . 2]" 1
25 1 4 GLU HA 1 4 GLU QB 2.590 . 2.590 2.385 2.179 2.442 . 0 0 "[ . 1 . 2]" 1
26 1 4 GLU HA 1 4 GLU QG 2.740 . 2.740 2.490 2.278 3.444 0.704 9 1 "[ . +1 . 2]" 1
27 1 4 GLU H 1 4 GLU HB3 3.530 . 3.530 3.053 2.204 3.573 0.043 10 0 "[ . 1 . 2]" 1
28 1 4 GLU H 1 4 GLU HB2 3.530 . 3.530 2.480 2.301 3.508 . 0 0 "[ . 1 . 2]" 1
29 1 4 GLU QB 1 4 GLU QG 2.340 . 2.340 2.076 2.032 2.108 . 0 0 "[ . 1 . 2]" 1
30 1 5 GLU HA 1 8 GLU H 3.950 . 3.950 3.282 3.183 3.375 . 0 0 "[ . 1 . 2]" 1
31 1 5 GLU HA 1 8 GLU QB 3.930 . 3.930 2.591 2.417 2.662 . 0 0 "[ . 1 . 2]" 1
32 1 5 GLU HA 1 9 ALA H 4.290 . 4.290 4.260 4.149 4.319 0.029 3 0 "[ . 1 . 2]" 1
33 1 5 GLU HA 1 9 ALA MB 4.990 . 4.990 5.051 4.952 5.102 0.112 3 0 "[ . 1 . 2]" 1
34 1 5 GLU H 1 5 GLU HB2 3.070 . 3.070 2.879 2.734 2.986 . 0 0 "[ . 1 . 2]" 1
35 1 5 GLU H 1 5 GLU QG 3.660 . 3.660 3.487 1.705 3.881 0.221 2 0 "[ . 1 . 2]" 1
36 1 5 GLU H 1 6 LEU H 2.910 . 2.910 2.614 2.554 2.663 . 0 0 "[ . 1 . 2]" 1
37 1 5 GLU QG 1 6 LEU H 3.220 . 3.220 3.060 2.750 3.391 0.171 6 0 "[ . 1 . 2]" 1
38 1 5 GLU HG3 1 6 LEU H 3.870 . 3.870 3.654 2.789 4.169 0.299 11 0 "[ . 1 . 2]" 1
39 1 5 GLU HG2 1 6 LEU H 3.870 . 3.870 3.677 3.132 4.381 0.511 6 1 "[ .+ 1 . 2]" 1
40 1 6 LEU HA 1 6 LEU HG 4.050 . 4.050 3.154 2.983 3.223 . 0 0 "[ . 1 . 2]" 1
41 1 6 LEU HA 1 6 LEU QD 3.780 . 3.780 2.096 2.067 2.176 . 0 0 "[ . 1 . 2]" 1
42 1 6 LEU HA 1 6 LEU MD1 4.330 . 4.330 2.106 2.076 2.187 . 0 0 "[ . 1 . 2]" 1
43 1 6 LEU HA 1 6 LEU MD2 4.330 . 4.330 3.798 3.765 3.875 . 0 0 "[ . 1 . 2]" 1
44 1 6 LEU HA 1 9 ALA H 4.160 . 4.160 3.420 3.366 3.492 . 0 0 "[ . 1 . 2]" 1
45 1 6 LEU HA 1 9 ALA MB 3.720 . 3.720 2.765 2.693 2.856 . 0 0 "[ . 1 . 2]" 1
46 1 6 LEU HA 1 10 PHE H 4.800 . 4.800 4.231 4.157 4.313 . 0 0 "[ . 1 . 2]" 1
47 1 6 LEU HA 1 63 VAL QG 5.440 . 5.440 5.555 5.360 5.645 0.205 12 0 "[ . 1 . 2]" 1
48 1 6 LEU HG 1 7 LYS QG 3.480 . 3.480 3.650 3.546 3.792 0.312 12 0 "[ . 1 . 2]" 1
49 1 6 LEU HG 1 59 TYR QD 5.370 . 5.370 4.622 4.418 4.885 . 0 0 "[ . 1 . 2]" 1
50 1 6 LEU HG 1 59 TYR QE 4.720 . 4.720 2.479 2.314 2.779 . 0 0 "[ . 1 . 2]" 1
51 1 6 LEU H 1 6 LEU HB2 3.310 . 3.310 2.562 2.492 2.602 . 0 0 "[ . 1 . 2]" 1
52 1 6 LEU H 1 6 LEU HB3 3.330 . 3.330 2.489 2.454 2.602 . 0 0 "[ . 1 . 2]" 1
53 1 6 LEU H 1 6 LEU QD 4.520 . 4.520 3.693 3.672 3.724 . 0 0 "[ . 1 . 2]" 1
54 1 6 LEU H 1 6 LEU MD1 5.260 . 5.260 4.047 4.013 4.101 . 0 0 "[ . 1 . 2]" 1
55 1 6 LEU H 1 6 LEU MD2 5.260 . 5.260 4.261 4.229 4.287 . 0 0 "[ . 1 . 2]" 1
56 1 6 LEU H 1 7 LYS H 3.070 . 3.070 2.701 2.644 2.821 . 0 0 "[ . 1 . 2]" 1
57 1 6 LEU HB2 1 7 LYS H 3.990 . 3.990 3.822 3.777 3.844 . 0 0 "[ . 1 . 2]" 1
58 1 6 LEU HB2 1 63 VAL QG 4.950 . 4.950 4.565 4.374 4.631 . 0 0 "[ . 1 . 2]" 1
59 1 6 LEU HB3 1 6 LEU HG 2.710 . 2.710 2.443 2.415 2.526 . 0 0 "[ . 1 . 2]" 1
60 1 6 LEU HB3 1 7 LYS H 3.700 . 3.700 2.489 2.445 2.517 . 0 0 "[ . 1 . 2]" 1
61 1 6 LEU QD 1 7 LYS HA 4.180 . 4.180 4.106 4.043 4.183 0.003 12 0 "[ . 1 . 2]" 1
62 1 6 LEU QD 1 7 LYS H 4.660 . 4.660 3.805 3.747 3.844 . 0 0 "[ . 1 . 2]" 1
63 1 6 LEU QD 1 9 ALA MB 4.300 . 4.300 2.541 2.376 2.826 . 0 0 "[ . 1 . 2]" 1
64 1 6 LEU QD 1 10 PHE HB3 5.440 . 5.440 4.644 4.492 4.863 . 0 0 "[ . 1 . 2]" 1
65 1 6 LEU QD 1 10 PHE QD 5.250 . 5.250 4.835 4.599 4.992 . 0 0 "[ . 1 . 2]" 1
66 1 6 LEU QD 1 62 PHE QD 3.880 . 3.880 2.958 2.728 3.219 . 0 0 "[ . 1 . 2]" 1
67 1 6 LEU MD1 1 7 LYS HA 4.930 . 4.930 4.509 4.341 4.882 . 0 0 "[ . 1 . 2]" 1
68 1 6 LEU MD1 1 7 LYS H 5.390 . 5.390 4.315 4.220 4.502 . 0 0 "[ . 1 . 2]" 1
69 1 6 LEU MD1 1 59 TYR QE 5.500 . 5.500 3.861 3.638 4.211 . 0 0 "[ . 1 . 2]" 1
70 1 6 LEU MD2 1 7 LYS HA 4.930 . 4.930 4.754 4.476 4.839 . 0 0 "[ . 1 . 2]" 1
71 1 6 LEU MD2 1 7 LYS H 5.390 . 5.390 4.239 4.032 4.318 . 0 0 "[ . 1 . 2]" 1
72 1 6 LEU MD2 1 59 TYR QE 5.500 . 5.500 3.302 3.077 3.492 . 0 0 "[ . 1 . 2]" 1
73 1 6 LEU MD2 1 63 VAL HA 4.630 . 4.630 2.310 2.253 2.500 . 0 0 "[ . 1 . 2]" 1
74 1 6 LEU MD2 1 63 VAL MG2 4.180 . 4.180 2.028 1.989 2.101 . 0 0 "[ . 1 . 2]" 1
75 1 7 LYS HA 1 7 LYS QG 3.250 . 3.250 2.268 2.243 2.303 . 0 0 "[ . 1 . 2]" 1
76 1 7 LYS HA 1 10 PHE HA 5.280 . 5.280 4.950 4.868 5.092 . 0 0 "[ . 1 . 2]" 1
77 1 7 LYS HA 1 10 PHE H 3.650 . 3.650 3.126 3.077 3.215 . 0 0 "[ . 1 . 2]" 1
78 1 7 LYS HA 1 10 PHE HB3 4.260 . 4.260 2.287 2.258 2.320 . 0 0 "[ . 1 . 2]" 1
79 1 7 LYS HA 1 10 PHE HB2 4.470 . 4.470 3.106 2.922 3.326 . 0 0 "[ . 1 . 2]" 1
80 1 7 LYS HA 1 10 PHE QD 3.610 . 3.610 3.842 3.770 3.895 0.285 15 0 "[ . 1 . 2]" 1
81 1 7 LYS HA 1 11 ARG H 5.270 . 5.270 3.900 3.741 3.977 . 0 0 "[ . 1 . 2]" 1
82 1 7 LYS HA 1 59 TYR QD 4.320 . 4.320 3.923 3.723 4.069 . 0 0 "[ . 1 . 2]" 1
83 1 7 LYS HA 1 59 TYR QE 3.390 . 3.390 2.507 2.372 2.608 . 0 0 "[ . 1 . 2]" 1
84 1 7 LYS HA 1 63 VAL QG 5.440 . 5.440 4.893 4.739 5.084 . 0 0 "[ . 1 . 2]" 1
85 1 7 LYS H 1 7 LYS QB 3.040 . 3.040 2.361 2.314 2.441 . 0 0 "[ . 1 . 2]" 1
86 1 7 LYS H 1 7 LYS QG 4.660 . 4.660 2.239 2.186 2.361 . 0 0 "[ . 1 . 2]" 1
87 1 7 LYS H 1 8 GLU H 3.240 . 3.240 2.618 2.600 2.653 . 0 0 "[ . 1 . 2]" 1
88 1 7 LYS QB 1 7 LYS QG 2.180 . 2.180 2.106 2.103 2.109 . 0 0 "[ . 1 . 2]" 1
89 1 7 LYS QB 1 10 PHE QD 4.640 . 4.640 4.311 4.175 4.449 . 0 0 "[ . 1 . 2]" 1
90 1 7 LYS QB 1 59 TYR QE 4.040 . 4.040 4.105 4.030 4.206 0.166 16 0 "[ . 1 . 2]" 1
91 1 7 LYS QG 1 10 PHE QD 5.340 . 5.340 4.610 4.414 4.856 . 0 0 "[ . 1 . 2]" 1
92 1 7 LYS QG 1 59 TYR QD 5.340 . 5.340 3.855 3.681 4.061 . 0 0 "[ . 1 . 2]" 1
93 1 7 LYS QG 1 59 TYR QE 3.610 . 3.610 2.618 2.421 2.765 . 0 0 "[ . 1 . 2]" 1
94 1 7 LYS HG3 1 59 TYR QE 4.320 . 4.320 3.365 3.105 3.857 . 0 0 "[ . 1 . 2]" 1
95 1 7 LYS HG2 1 59 TYR QE 4.320 . 4.320 2.743 2.446 2.914 . 0 0 "[ . 1 . 2]" 1
96 1 8 GLU HA 1 8 GLU QG 2.680 . 2.680 2.430 2.278 2.722 0.042 8 0 "[ . 1 . 2]" 1
97 1 8 GLU HA 1 8 GLU HG3 3.480 . 3.480 3.009 2.326 3.656 0.176 8 0 "[ . 1 . 2]" 1
98 1 8 GLU HA 1 8 GLU HG2 3.480 . 3.480 2.664 2.434 3.562 0.082 3 0 "[ . 1 . 2]" 1
99 1 8 GLU HA 1 11 ARG H 4.070 . 4.070 3.388 3.287 3.449 . 0 0 "[ . 1 . 2]" 1
100 1 8 GLU HA 1 12 VAL H 4.470 . 4.470 4.278 4.065 4.367 . 0 0 "[ . 1 . 2]" 1
101 1 8 GLU H 1 8 GLU QB 3.370 . 3.370 2.350 2.133 2.401 . 0 0 "[ . 1 . 2]" 1
102 1 8 GLU H 1 8 GLU QG 3.320 . 3.320 2.644 2.359 3.928 0.608 4 2 "[ +. - . 2]" 1
103 1 8 GLU H 1 9 ALA H 3.150 . 3.150 2.526 2.487 2.575 . 0 0 "[ . 1 . 2]" 1
104 1 8 GLU H 1 11 ARG H 5.500 . 5.500 4.609 4.551 4.685 . 0 0 "[ . 1 . 2]" 1
105 1 8 GLU QB 1 9 ALA HA 4.090 . 4.090 3.928 3.859 4.099 0.009 4 0 "[ . 1 . 2]" 1
106 1 8 GLU QB 1 9 ALA H 3.130 . 3.130 2.508 2.399 2.598 . 0 0 "[ . 1 . 2]" 1
107 1 8 GLU HB3 1 9 ALA H 3.780 . 3.780 3.366 2.431 3.541 . 0 0 "[ . 1 . 2]" 1
108 1 8 GLU HB2 1 9 ALA H 3.780 . 3.780 2.702 2.530 3.763 . 0 0 "[ . 1 . 2]" 1
109 1 8 GLU QG 1 9 ALA H 4.790 . 4.790 4.062 3.561 4.464 . 0 0 "[ . 1 . 2]" 1
110 1 8 GLU HG3 1 9 ALA H 5.500 . 5.500 4.584 4.313 4.959 . 0 0 "[ . 1 . 2]" 1
111 1 8 GLU HG2 1 9 ALA H 5.500 . 5.500 4.676 3.701 5.067 . 0 0 "[ . 1 . 2]" 1
112 1 9 ALA HA 1 11 ARG H 5.100 . 5.100 4.488 4.326 4.595 . 0 0 "[ . 1 . 2]" 1
113 1 9 ALA HA 1 12 VAL H 4.060 . 4.060 3.395 3.317 3.502 . 0 0 "[ . 1 . 2]" 1
114 1 9 ALA HA 1 12 VAL QG 3.680 . 3.680 2.699 2.576 2.822 . 0 0 "[ . 1 . 2]" 1
115 1 9 ALA HA 1 12 VAL MG1 5.090 . 5.090 3.921 3.667 4.089 . 0 0 "[ . 1 . 2]" 1
116 1 9 ALA HA 1 12 VAL MG2 5.090 . 5.090 2.752 2.614 2.894 . 0 0 "[ . 1 . 2]" 1
117 1 9 ALA HA 1 13 PHE QD 4.700 . 4.700 4.358 4.161 4.671 . 0 0 "[ . 1 . 2]" 1
118 1 9 ALA HA 1 62 PHE QE 5.500 . 5.500 5.527 5.430 5.622 0.122 16 0 "[ . 1 . 2]" 1
119 1 9 ALA H 1 9 ALA MB 3.090 . 3.090 2.209 2.180 2.240 . 0 0 "[ . 1 . 2]" 1
120 1 9 ALA H 1 10 PHE H 3.530 . 3.530 2.659 2.638 2.682 . 0 0 "[ . 1 . 2]" 1
121 1 9 ALA H 1 11 ARG H 5.500 . 5.500 4.147 4.050 4.216 . 0 0 "[ . 1 . 2]" 1
122 1 9 ALA MB 1 10 PHE HA 5.500 . 5.500 3.778 3.749 3.818 . 0 0 "[ . 1 . 2]" 1
123 1 9 ALA MB 1 10 PHE H 3.040 . 3.040 2.433 2.367 2.471 . 0 0 "[ . 1 . 2]" 1
124 1 9 ALA MB 1 13 PHE QE 3.450 . 3.450 2.679 2.322 3.568 0.118 3 0 "[ . 1 . 2]" 1
125 1 9 ALA MB 1 62 PHE QD 5.110 . 5.110 4.605 4.425 4.883 . 0 0 "[ . 1 . 2]" 1
126 1 9 ALA MB 1 62 PHE QE 3.470 . 3.470 2.951 2.765 3.163 . 0 0 "[ . 1 . 2]" 1
127 1 10 PHE HA 1 10 PHE HB3 2.870 . 2.870 2.997 2.988 3.020 0.150 3 0 "[ . 1 . 2]" 1
128 1 10 PHE HA 1 10 PHE QD 3.140 . 3.140 2.660 2.447 2.858 . 0 0 "[ . 1 . 2]" 1
129 1 10 PHE HA 1 12 VAL H 5.390 . 5.390 4.178 4.122 4.234 . 0 0 "[ . 1 . 2]" 1
130 1 10 PHE HA 1 13 PHE H 4.520 . 4.520 3.431 3.317 3.508 . 0 0 "[ . 1 . 2]" 1
131 1 10 PHE HA 1 13 PHE QD 3.330 . 3.330 2.304 2.171 3.745 0.415 3 0 "[ . 1 . 2]" 1
132 1 10 PHE HA 1 21 ILE MD 4.410 . 4.410 2.838 2.624 3.058 . 0 0 "[ . 1 . 2]" 1
133 1 10 PHE HA 1 62 PHE QD 4.790 . 4.790 3.959 3.733 4.225 . 0 0 "[ . 1 . 2]" 1
134 1 10 PHE H 1 10 PHE HB3 3.240 . 3.240 2.386 2.347 2.445 . 0 0 "[ . 1 . 2]" 1
135 1 10 PHE H 1 10 PHE HB2 3.350 . 3.350 2.602 2.534 2.661 . 0 0 "[ . 1 . 2]" 1
136 1 10 PHE H 1 10 PHE QD 4.370 . 4.370 4.126 4.102 4.150 . 0 0 "[ . 1 . 2]" 1
137 1 10 PHE H 1 11 ARG H 4.120 . 4.120 2.715 2.689 2.754 . 0 0 "[ . 1 . 2]" 1
138 1 10 PHE H 1 62 PHE QD 4.790 . 4.790 4.653 4.536 4.772 . 0 0 "[ . 1 . 2]" 1
139 1 10 PHE HZ 1 14 ASP HB3 5.500 . 5.500 4.903 4.596 5.478 . 0 0 "[ . 1 . 2]" 1
140 1 10 PHE HZ 1 14 ASP HB2 5.500 . 5.500 3.921 3.572 4.431 . 0 0 "[ . 1 . 2]" 1
141 1 10 PHE HZ 1 19 GLY QA 4.210 . 4.210 2.717 2.361 3.142 . 0 0 "[ . 1 . 2]" 1
142 1 10 PHE HZ 1 20 PHE HA 3.810 . 3.810 3.120 2.881 3.283 . 0 0 "[ . 1 . 2]" 1
143 1 10 PHE HZ 1 20 PHE HB3 5.500 . 5.500 5.506 5.348 5.667 0.167 12 0 "[ . 1 . 2]" 1
144 1 10 PHE HZ 1 20 PHE QD 5.500 . 5.500 4.884 4.267 5.203 . 0 0 "[ . 1 . 2]" 1
145 1 10 PHE HZ 1 59 TYR HA 4.240 . 4.240 3.981 3.776 4.301 0.061 16 0 "[ . 1 . 2]" 1
146 1 10 PHE HZ 1 59 TYR QB 5.340 . 5.340 3.324 2.937 3.667 . 0 0 "[ . 1 . 2]" 1
147 1 10 PHE HZ 1 59 TYR QD 5.300 . 5.300 4.571 4.413 4.737 . 0 0 "[ . 1 . 2]" 1
148 1 10 PHE HB3 1 21 ILE MD 5.500 . 5.500 4.919 4.717 5.048 . 0 0 "[ . 1 . 2]" 1
149 1 10 PHE HB3 1 59 TYR QD 3.900 . 3.900 3.266 3.151 3.419 . 0 0 "[ . 1 . 2]" 1
150 1 10 PHE HB3 1 59 TYR QE 4.000 . 4.000 3.258 3.004 3.461 . 0 0 "[ . 1 . 2]" 1
151 1 10 PHE HB3 1 62 PHE QD 4.510 . 4.510 4.483 4.108 4.631 0.121 10 0 "[ . 1 . 2]" 1
152 1 10 PHE HB3 1 62 PHE QE 5.040 . 5.040 4.836 3.948 5.228 0.188 7 0 "[ . 1 . 2]" 1
153 1 10 PHE HB2 1 11 ARG H 4.320 . 4.320 3.882 3.836 3.932 . 0 0 "[ . 1 . 2]" 1
154 1 10 PHE HB2 1 59 TYR QD 4.170 . 4.170 2.672 2.397 2.954 . 0 0 "[ . 1 . 2]" 1
155 1 10 PHE HB2 1 59 TYR QE 3.930 . 3.930 2.742 2.553 2.930 . 0 0 "[ . 1 . 2]" 1
156 1 10 PHE QD 1 11 ARG HA 4.580 . 4.580 3.263 2.967 3.602 . 0 0 "[ . 1 . 2]" 1
157 1 10 PHE QD 1 11 ARG H 5.500 . 5.500 3.156 2.876 3.538 . 0 0 "[ . 1 . 2]" 1
158 1 10 PHE QD 1 13 PHE QB 5.340 . 5.340 3.882 3.678 4.076 . 0 0 "[ . 1 . 2]" 1
159 1 10 PHE QD 1 13 PHE QD 4.580 . 4.580 4.142 3.881 4.561 . 0 0 "[ . 1 . 2]" 1
160 1 10 PHE QD 1 14 ASP HB3 5.290 . 5.290 4.819 4.585 5.231 . 0 0 "[ . 1 . 2]" 1
161 1 10 PHE QD 1 14 ASP HB2 5.290 . 5.290 4.440 4.255 4.711 . 0 0 "[ . 1 . 2]" 1
162 1 10 PHE QD 1 21 ILE HB 5.500 . 5.500 5.192 5.038 5.344 . 0 0 "[ . 1 . 2]" 1
163 1 10 PHE QD 1 21 ILE MD 4.450 . 4.450 2.263 2.153 2.376 . 0 0 "[ . 1 . 2]" 1
164 1 10 PHE QD 1 21 ILE QG 4.580 . 4.580 3.473 3.254 3.723 . 0 0 "[ . 1 . 2]" 1
165 1 10 PHE QD 1 21 ILE MG 5.500 . 5.500 5.107 4.949 5.197 . 0 0 "[ . 1 . 2]" 1
166 1 10 PHE QD 1 57 ILE MG 4.660 . 4.660 4.342 3.814 4.788 0.128 8 0 "[ . 1 . 2]" 1
167 1 10 PHE QD 1 59 TYR QB 5.340 . 5.340 3.797 3.497 4.068 . 0 0 "[ . 1 . 2]" 1
168 1 10 PHE QD 1 59 TYR QD 3.580 . 3.580 2.868 2.699 3.105 . 0 0 "[ . 1 . 2]" 1
169 1 10 PHE QD 1 62 PHE H 5.500 . 5.500 5.166 5.013 5.347 . 0 0 "[ . 1 . 2]" 1
170 1 10 PHE QD 1 63 VAL QG 5.440 . 5.440 4.852 4.598 5.016 . 0 0 "[ . 1 . 2]" 1
171 1 10 PHE QE 1 11 ARG HA 5.500 . 5.500 4.219 3.922 4.614 . 0 0 "[ . 1 . 2]" 1
172 1 10 PHE QE 1 11 ARG QG 4.880 . 4.880 4.660 3.937 5.051 0.171 17 0 "[ . 1 . 2]" 1
173 1 10 PHE QE 1 14 ASP QB 4.140 . 4.140 3.563 3.308 3.974 . 0 0 "[ . 1 . 2]" 1
174 1 10 PHE QE 1 14 ASP HB3 4.820 . 4.820 4.278 3.945 4.916 0.096 11 0 "[ . 1 . 2]" 1
175 1 10 PHE QE 1 14 ASP HB2 4.820 . 4.820 3.821 3.551 4.197 . 0 0 "[ . 1 . 2]" 1
176 1 10 PHE QE 1 19 GLY H 4.820 . 4.820 4.119 3.796 4.704 . 0 0 "[ . 1 . 2]" 1
177 1 10 PHE QE 1 19 GLY QA 3.260 . 3.260 2.611 2.302 3.154 . 0 0 "[ . 1 . 2]" 1
178 1 10 PHE QE 1 20 PHE HA 3.680 . 3.680 3.582 3.248 3.750 0.070 12 0 "[ . 1 . 2]" 1
179 1 10 PHE QE 1 21 ILE HB 4.830 . 4.830 4.115 3.959 4.290 . 0 0 "[ . 1 . 2]" 1
180 1 10 PHE QE 1 21 ILE H 4.830 . 4.830 3.701 3.191 4.018 . 0 0 "[ . 1 . 2]" 1
181 1 10 PHE QE 1 21 ILE MD 4.010 . 4.010 2.559 2.250 2.926 . 0 0 "[ . 1 . 2]" 1
182 1 10 PHE QE 1 21 ILE QG 5.340 . 5.340 2.313 2.274 2.376 . 0 0 "[ . 1 . 2]" 1
183 1 10 PHE QE 1 21 ILE MG 5.500 . 5.500 4.816 4.664 4.957 . 0 0 "[ . 1 . 2]" 1
184 1 10 PHE QE 1 58 ASN HA 3.990 . 3.990 3.835 3.492 4.039 0.049 9 0 "[ . 1 . 2]" 1
185 1 10 PHE QE 1 59 TYR HA 4.100 . 4.100 2.882 2.712 3.176 . 0 0 "[ . 1 . 2]" 1
186 1 10 PHE QE 1 59 TYR H 4.240 . 4.240 3.653 3.277 4.032 . 0 0 "[ . 1 . 2]" 1
187 1 10 PHE QE 1 59 TYR QB 4.390 . 4.390 3.233 2.904 3.503 . 0 0 "[ . 1 . 2]" 1
188 1 10 PHE QE 1 59 TYR QD 4.000 . 4.000 3.703 3.615 3.804 . 0 0 "[ . 1 . 2]" 1
189 1 10 PHE QE 1 59 TYR QE 5.500 . 5.500 5.465 5.361 5.598 0.098 4 0 "[ . 1 . 2]" 1
190 1 11 ARG HA 1 11 ARG HE 5.090 . 5.090 4.623 3.660 5.121 0.031 6 0 "[ . 1 . 2]" 1
191 1 11 ARG HA 1 11 ARG HB2 2.720 . 2.720 2.718 2.490 2.994 0.274 13 0 "[ . 1 . 2]" 1
192 1 11 ARG HA 1 11 ARG QG 3.580 . 3.580 2.313 2.245 2.528 . 0 0 "[ . 1 . 2]" 1
193 1 11 ARG HA 1 13 PHE H 5.500 . 5.500 4.457 4.386 4.516 . 0 0 "[ . 1 . 2]" 1
194 1 11 ARG HE 1 12 VAL H 5.500 . 5.500 5.147 4.233 5.645 0.145 5 0 "[ . 1 . 2]" 1
195 1 11 ARG H 1 11 ARG HB3 3.060 . 3.060 2.997 2.588 3.529 0.469 9 0 "[ . 1 . 2]" 1
196 1 11 ARG H 1 11 ARG QG 4.390 . 4.390 3.314 2.284 3.970 . 0 0 "[ . 1 . 2]" 1
197 1 11 ARG H 1 12 VAL H 4.070 . 4.070 2.619 2.568 2.666 . 0 0 "[ . 1 . 2]" 1
198 1 11 ARG H 1 12 VAL QG 5.330 . 5.330 4.161 4.092 4.244 . 0 0 "[ . 1 . 2]" 1
199 1 11 ARG HB3 1 12 VAL H 4.460 . 4.460 3.119 2.724 3.706 . 0 0 "[ . 1 . 2]" 1
200 1 11 ARG HE 1 11 ARG QG 3.640 . 3.640 2.885 2.367 3.199 . 0 0 "[ . 1 . 2]" 1
201 1 12 VAL HA 1 14 ASP H 4.960 . 4.960 4.483 4.413 4.539 . 0 0 "[ . 1 . 2]" 1
202 1 12 VAL HB 1 13 PHE H 4.190 . 4.190 2.522 2.462 2.597 . 0 0 "[ . 1 . 2]" 1
203 1 12 VAL H 1 12 VAL HB 3.130 . 3.130 2.360 2.320 2.398 . 0 0 "[ . 1 . 2]" 1
204 1 12 VAL H 1 12 VAL QG 3.120 . 3.120 2.347 2.292 2.446 . 0 0 "[ . 1 . 2]" 1
205 1 12 VAL H 1 12 VAL MG1 3.930 . 3.930 3.727 3.714 3.744 . 0 0 "[ . 1 . 2]" 1
206 1 12 VAL H 1 12 VAL MG2 3.930 . 3.930 2.373 2.314 2.480 . 0 0 "[ . 1 . 2]" 1
207 1 12 VAL H 1 13 PHE H 3.570 . 3.570 2.553 2.501 2.574 . 0 0 "[ . 1 . 2]" 1
208 1 12 VAL QG 1 13 PHE H 5.060 . 5.060 3.038 2.966 3.108 . 0 0 "[ . 1 . 2]" 1
209 1 12 VAL QG 1 13 PHE QB 4.470 . 4.470 4.246 4.189 4.303 . 0 0 "[ . 1 . 2]" 1
210 1 12 VAL QG 1 13 PHE QD 4.700 . 4.700 3.845 2.480 3.979 . 0 0 "[ . 1 . 2]" 1
211 1 12 VAL QG 1 13 PHE QE 4.180 . 4.180 4.310 3.556 4.461 0.281 17 0 "[ . 1 . 2]" 1
212 1 12 VAL QG 1 14 ASP H 5.440 . 5.440 4.583 4.533 4.613 . 0 0 "[ . 1 . 2]" 1
213 1 13 PHE HA 1 13 PHE QD 3.150 . 3.150 2.282 2.227 2.344 . 0 0 "[ . 1 . 2]" 1
214 1 13 PHE HA 1 13 PHE QE 4.610 . 4.610 4.283 4.223 4.342 . 0 0 "[ . 1 . 2]" 1
215 1 13 PHE HA 1 15 LYS H 5.500 . 5.500 4.713 4.572 4.918 . 0 0 "[ . 1 . 2]" 1
216 1 13 PHE HA 1 29 VAL HB 4.610 . 4.610 3.904 3.562 4.015 . 0 0 "[ . 1 . 2]" 1
217 1 13 PHE HA 1 29 VAL MG1 4.340 . 4.340 2.537 2.441 2.708 . 0 0 "[ . 1 . 2]" 1
218 1 13 PHE HA 1 29 VAL MG2 3.470 . 3.470 2.225 2.018 2.272 . 0 0 "[ . 1 . 2]" 1
219 1 13 PHE H 1 13 PHE QB 3.150 . 3.150 2.261 2.194 2.342 . 0 0 "[ . 1 . 2]" 1
220 1 13 PHE H 1 13 PHE HB3 3.680 . 3.680 3.543 3.515 3.581 . 0 0 "[ . 1 . 2]" 1
221 1 13 PHE H 1 13 PHE HB2 3.680 . 3.680 2.288 2.216 2.374 . 0 0 "[ . 1 . 2]" 1
222 1 13 PHE H 1 13 PHE QD 3.650 . 3.650 2.971 2.395 3.124 . 0 0 "[ . 1 . 2]" 1
223 1 13 PHE H 1 14 ASP H 3.730 . 3.730 2.737 2.708 2.776 . 0 0 "[ . 1 . 2]" 1
224 1 13 PHE H 1 14 ASP QB 5.340 . 5.340 4.550 4.497 4.627 . 0 0 "[ . 1 . 2]" 1
225 1 13 PHE H 1 21 ILE MD 4.870 . 4.870 4.254 4.151 4.474 . 0 0 "[ . 1 . 2]" 1
226 1 13 PHE H 1 21 ILE MG 5.500 . 5.500 5.331 5.058 5.534 0.034 6 0 "[ . 1 . 2]" 1
227 1 13 PHE H 1 29 VAL MG1 5.500 . 5.500 4.446 4.188 4.540 . 0 0 "[ . 1 . 2]" 1
228 1 13 PHE H 1 29 VAL MG2 4.460 . 4.460 4.496 4.199 4.567 0.107 5 0 "[ . 1 . 2]" 1
229 1 13 PHE QB 1 14 ASP H 3.800 . 3.800 2.625 2.569 2.675 . 0 0 "[ . 1 . 2]" 1
230 1 13 PHE QB 1 14 ASP QB 4.210 . 4.210 3.629 3.546 3.698 . 0 0 "[ . 1 . 2]" 1
231 1 13 PHE QB 1 21 ILE MD 3.560 . 3.560 2.041 1.933 2.296 . 0 0 "[ . 1 . 2]" 1
232 1 13 PHE QB 1 21 ILE QG 4.450 . 4.450 2.422 2.224 2.721 . 0 0 "[ . 1 . 2]" 1
233 1 13 PHE QB 1 21 ILE MG 3.540 . 3.540 2.351 2.129 2.573 . 0 0 "[ . 1 . 2]" 1
234 1 13 PHE HB3 1 21 ILE MG 4.040 . 4.040 2.379 2.146 2.610 . 0 0 "[ . 1 . 2]" 1
235 1 13 PHE HB2 1 21 ILE MG 4.040 . 4.040 3.677 3.460 3.906 . 0 0 "[ . 1 . 2]" 1
236 1 13 PHE QD 1 21 ILE MD 3.920 . 3.920 2.999 2.263 3.208 . 0 0 "[ . 1 . 2]" 1
237 1 13 PHE QD 1 21 ILE MG 4.880 . 4.880 3.577 2.937 3.892 . 0 0 "[ . 1 . 2]" 1
238 1 13 PHE QD 1 26 LEU HA 5.000 . 5.000 3.620 3.235 4.617 . 0 0 "[ . 1 . 2]" 1
239 1 13 PHE QD 1 26 LEU QD 4.270 . 4.270 2.805 2.277 3.930 . 0 0 "[ . 1 . 2]" 1
240 1 13 PHE QD 1 29 VAL HB 3.870 . 3.870 3.193 2.968 4.300 0.430 3 0 "[ . 1 . 2]" 1
241 1 13 PHE QD 1 29 VAL QG 2.910 . 2.910 2.264 2.154 2.583 . 0 0 "[ . 1 . 2]" 1
242 1 13 PHE QD 1 29 VAL MG1 4.950 . 4.950 2.362 2.253 2.772 . 0 0 "[ . 1 . 2]" 1
243 1 13 PHE QD 1 29 VAL MG2 3.250 . 3.250 2.943 2.658 3.373 0.123 3 0 "[ . 1 . 2]" 1
244 1 13 PHE QD 1 30 MET ME 5.210 . 5.210 4.182 3.038 5.126 . 0 0 "[ . 1 . 2]" 1
245 1 13 PHE QE 1 21 ILE MD 5.500 . 5.500 4.441 4.156 4.635 . 0 0 "[ . 1 . 2]" 1
246 1 13 PHE QE 1 29 VAL QG 3.210 . 3.210 2.777 2.501 3.106 . 0 0 "[ . 1 . 2]" 1
247 1 13 PHE QE 1 30 MET ME 3.360 . 3.360 2.767 2.123 3.434 0.074 3 0 "[ . 1 . 2]" 1
248 1 13 PHE QE 1 62 PHE QD 4.520 . 4.520 4.908 4.631 5.003 0.483 19 0 "[ . 1 . 2]" 1
249 1 13 PHE QE 1 62 PHE QE 3.230 . 3.230 2.878 2.318 3.293 0.063 19 0 "[ . 1 . 2]" 1
250 1 14 ASP HA 1 15 LYS HA 5.500 . 5.500 4.539 4.503 4.575 . 0 0 "[ . 1 . 2]" 1
251 1 14 ASP HA 1 15 LYS H 3.380 . 3.380 2.291 2.229 2.352 . 0 0 "[ . 1 . 2]" 1
252 1 14 ASP HA 1 21 ILE MG 4.760 . 4.760 3.468 3.122 3.754 . 0 0 "[ . 1 . 2]" 1
253 1 14 ASP H 1 14 ASP QB 3.230 . 3.230 2.287 2.256 2.342 . 0 0 "[ . 1 . 2]" 1
254 1 14 ASP H 1 14 ASP HB3 3.740 . 3.740 2.641 2.522 2.724 . 0 0 "[ . 1 . 2]" 1
255 1 14 ASP H 1 14 ASP HB2 3.740 . 3.740 2.518 2.421 2.755 . 0 0 "[ . 1 . 2]" 1
256 1 14 ASP H 1 21 ILE MD 4.530 . 4.530 3.923 3.578 4.074 . 0 0 "[ . 1 . 2]" 1
257 1 14 ASP H 1 29 VAL MG1 5.500 . 5.500 5.641 5.567 5.794 0.294 8 0 "[ . 1 . 2]" 1
258 1 14 ASP H 1 29 VAL MG2 4.860 . 4.860 4.608 4.455 4.755 . 0 0 "[ . 1 . 2]" 1
259 1 14 ASP QB 1 16 ASP H 5.500 . 5.500 4.677 4.482 4.851 . 0 0 "[ . 1 . 2]" 1
260 1 14 ASP QB 1 17 GLN HA 5.290 . 5.290 2.712 2.430 3.735 . 0 0 "[ . 1 . 2]" 1
261 1 14 ASP QB 1 17 GLN H 4.110 . 4.110 3.237 3.044 3.546 . 0 0 "[ . 1 . 2]" 1
262 1 14 ASP QB 1 18 ASN H 4.660 . 4.660 4.093 3.904 4.415 . 0 0 "[ . 1 . 2]" 1
263 1 14 ASP QB 1 19 GLY H 4.740 . 4.740 3.883 3.663 4.043 . 0 0 "[ . 1 . 2]" 1
264 1 14 ASP QB 1 21 ILE H 5.340 . 5.340 4.920 4.083 5.331 . 0 0 "[ . 1 . 2]" 1
265 1 14 ASP QB 1 21 ILE MG 4.720 . 4.720 4.186 3.785 4.420 . 0 0 "[ . 1 . 2]" 1
266 1 14 ASP HB3 1 21 ILE MD 5.170 . 5.170 5.103 4.793 5.276 0.106 14 0 "[ . 1 . 2]" 1
267 1 14 ASP HB2 1 21 ILE MD 5.170 . 5.170 3.788 3.375 3.928 . 0 0 "[ . 1 . 2]" 1
268 1 15 LYS HA 1 29 VAL MG2 5.500 . 5.500 4.639 4.249 5.083 . 0 0 "[ . 1 . 2]" 1
269 1 15 LYS H 1 15 LYS QB 3.600 . 3.600 2.265 2.056 2.434 . 0 0 "[ . 1 . 2]" 1
270 1 15 LYS H 1 15 LYS QG 3.650 . 3.650 3.373 2.219 4.003 0.353 7 0 "[ . 1 . 2]" 1
271 1 15 LYS H 1 15 LYS HG3 4.330 . 4.330 3.929 2.274 4.563 0.233 15 0 "[ . 1 . 2]" 1
272 1 15 LYS H 1 15 LYS HG2 4.330 . 4.330 3.909 2.242 4.600 0.270 1 0 "[ . 1 . 2]" 1
273 1 15 LYS H 1 16 ASP H 3.450 . 3.450 2.713 2.641 2.768 . 0 0 "[ . 1 . 2]" 1
274 1 15 LYS H 1 25 GLU HB3 4.060 . 4.060 2.611 2.403 2.833 . 0 0 "[ . 1 . 2]" 1
275 1 15 LYS H 1 25 GLU QG 4.270 . 4.270 3.222 2.779 3.693 . 0 0 "[ . 1 . 2]" 1
276 1 15 LYS H 1 29 VAL MG2 5.500 . 5.500 3.659 3.503 3.935 . 0 0 "[ . 1 . 2]" 1
277 1 15 LYS QB 1 16 ASP H 4.060 . 4.060 2.535 2.281 3.394 . 0 0 "[ . 1 . 2]" 1
278 1 15 LYS HB3 1 16 ASP H 4.850 . 4.850 2.808 2.305 3.804 . 0 0 "[ . 1 . 2]" 1
279 1 15 LYS HB2 1 16 ASP H 4.850 . 4.850 3.450 2.465 3.839 . 0 0 "[ . 1 . 2]" 1
280 1 15 LYS HG3 1 16 ASP H 5.500 . 5.500 4.214 2.342 4.827 . 0 0 "[ . 1 . 2]" 1
281 1 15 LYS HG2 1 16 ASP H 5.500 . 5.500 3.883 1.790 4.964 . 0 0 "[ . 1 . 2]" 1
282 1 16 ASP H 1 16 ASP QB 3.420 . 3.420 2.446 2.192 2.657 . 0 0 "[ . 1 . 2]" 1
283 1 16 ASP H 1 17 GLN H 3.650 . 3.650 2.600 2.497 2.718 . 0 0 "[ . 1 . 2]" 1
284 1 16 ASP H 1 18 ASN H 4.800 . 4.800 4.696 4.386 4.928 0.128 2 0 "[ . 1 . 2]" 1
285 1 17 GLN HA 1 17 GLN QG 3.520 . 3.520 2.522 2.227 3.376 . 0 0 "[ . 1 . 2]" 1
286 1 17 GLN HA 1 18 ASN H 3.540 . 3.540 2.790 2.625 2.947 . 0 0 "[ . 1 . 2]" 1
287 1 17 GLN H 1 18 ASN H 4.180 . 4.180 2.770 2.635 3.060 . 0 0 "[ . 1 . 2]" 1
288 1 18 ASN HA 1 20 PHE H 5.500 . 5.500 4.566 4.247 4.848 . 0 0 "[ . 1 . 2]" 1
289 1 18 ASN H 1 18 ASN QB 3.340 . 3.340 2.679 2.121 2.912 . 0 0 "[ . 1 . 2]" 1
290 1 18 ASN H 1 19 GLY H 3.650 . 3.650 2.252 2.130 2.447 . 0 0 "[ . 1 . 2]" 1
291 1 18 ASN H 1 20 PHE H 4.680 . 4.680 3.021 2.809 3.396 . 0 0 "[ . 1 . 2]" 1
292 1 19 GLY H 1 20 PHE H 3.600 . 3.600 2.301 2.167 2.491 . 0 0 "[ . 1 . 2]" 1
293 1 19 GLY QA 1 20 PHE QD 4.750 . 4.750 3.195 2.857 3.777 . 0 0 "[ . 1 . 2]" 1
294 1 19 GLY HA3 1 20 PHE QD 5.500 . 5.500 3.299 2.911 3.991 . 0 0 "[ . 1 . 2]" 1
295 1 19 GLY HA2 1 20 PHE QD 5.500 . 5.500 4.307 4.120 4.666 . 0 0 "[ . 1 . 2]" 1
296 1 20 PHE HA 1 20 PHE QD 3.750 . 3.750 2.951 2.294 3.139 . 0 0 "[ . 1 . 2]" 1
297 1 20 PHE HA 1 20 PHE QE 5.500 . 5.500 4.600 4.535 4.676 . 0 0 "[ . 1 . 2]" 1
298 1 20 PHE HA 1 56 GLN QG 5.340 . 5.340 5.417 5.099 5.621 0.281 16 0 "[ . 1 . 2]" 1
299 1 20 PHE HA 1 58 ASN HA 3.040 . 3.040 2.625 2.345 2.933 . 0 0 "[ . 1 . 2]" 1
300 1 20 PHE HA 1 58 ASN HB3 5.500 . 5.500 5.039 4.429 5.635 0.135 4 0 "[ . 1 . 2]" 1
301 1 20 PHE HA 1 58 ASN HB2 5.500 . 5.500 5.073 4.401 5.635 0.135 16 0 "[ . 1 . 2]" 1
302 1 20 PHE H 1 20 PHE HB2 4.200 . 4.200 2.785 2.575 3.012 . 0 0 "[ . 1 . 2]" 1
303 1 20 PHE H 1 20 PHE QD 4.660 . 4.660 2.950 2.377 3.429 . 0 0 "[ . 1 . 2]" 1
304 1 20 PHE H 1 21 ILE HA 5.500 . 5.500 4.723 4.548 4.925 . 0 0 "[ . 1 . 2]" 1
305 1 20 PHE H 1 21 ILE H 5.500 . 5.500 4.346 4.122 4.465 . 0 0 "[ . 1 . 2]" 1
306 1 20 PHE HB3 1 21 ILE H 5.470 . 5.470 2.855 2.528 3.344 . 0 0 "[ . 1 . 2]" 1
307 1 20 PHE HB3 1 56 GLN QB 5.340 . 5.340 2.221 2.063 2.296 . 0 0 "[ . 1 . 2]" 1
308 1 20 PHE HB3 1 57 ILE H 5.500 . 5.500 3.874 2.864 4.071 . 0 0 "[ . 1 . 2]" 1
309 1 20 PHE HB3 1 58 ASN HA 5.180 . 5.180 4.188 3.423 4.603 . 0 0 "[ . 1 . 2]" 1
310 1 20 PHE HB2 1 21 ILE H 4.930 . 4.930 3.909 3.044 4.276 . 0 0 "[ . 1 . 2]" 1
311 1 20 PHE HB2 1 56 GLN QB 4.810 . 4.810 3.583 2.254 3.843 . 0 0 "[ . 1 . 2]" 1
312 1 20 PHE HB2 1 56 GLN QG 4.360 . 4.360 4.147 3.195 4.529 0.169 14 0 "[ . 1 . 2]" 1
313 1 20 PHE HB2 1 57 ILE H 5.360 . 5.360 5.448 3.761 5.682 0.322 14 0 "[ . 1 . 2]" 1
314 1 20 PHE QD 1 56 GLN QB 3.920 . 3.920 2.443 2.134 3.763 . 0 0 "[ . 1 . 2]" 1
315 1 20 PHE QD 1 56 GLN QG 3.760 . 3.760 4.062 3.582 4.186 0.426 5 0 "[ . 1 . 2]" 1
316 1 20 PHE QD 1 58 ASN HA 3.950 . 3.950 3.097 2.232 3.404 . 0 0 "[ . 1 . 2]" 1
317 1 20 PHE QD 1 58 ASN QB 3.470 . 3.470 3.317 2.351 3.743 0.273 6 0 "[ . 1 . 2]" 1
318 1 20 PHE QD 1 58 ASN HB3 5.500 . 5.500 4.077 3.264 4.937 . 0 0 "[ . 1 . 2]" 1
319 1 20 PHE QD 1 58 ASN HB2 5.500 . 5.500 4.082 2.369 5.115 . 0 0 "[ . 1 . 2]" 1
320 1 20 PHE QE 1 56 GLN QB 5.340 . 5.340 4.132 3.714 5.603 0.263 13 0 "[ . 1 . 2]" 1
321 1 20 PHE QE 1 58 ASN HA 3.920 . 3.920 3.951 3.707 4.135 0.215 16 0 "[ . 1 . 2]" 1
322 1 20 PHE QE 1 58 ASN QB 3.530 . 3.530 2.711 2.312 3.635 0.105 16 0 "[ . 1 . 2]" 1
323 1 20 PHE QE 1 58 ASN HB3 5.260 . 5.260 3.477 2.504 4.285 . 0 0 "[ . 1 . 2]" 1
324 1 20 PHE QE 1 58 ASN HB2 5.260 . 5.260 3.550 2.329 5.308 0.048 16 0 "[ . 1 . 2]" 1
325 1 21 ILE HA 1 21 ILE MD 4.130 . 4.130 3.844 3.816 3.872 . 0 0 "[ . 1 . 2]" 1
326 1 21 ILE HA 1 22 SER H 3.300 . 3.300 2.096 2.076 2.131 . 0 0 "[ . 1 . 2]" 1
327 1 21 ILE HA 1 25 GLU H 5.500 . 5.500 5.421 5.303 5.633 0.133 12 0 "[ . 1 . 2]" 1
328 1 21 ILE HA 1 25 GLU HB2 4.280 . 4.280 3.436 3.265 3.714 . 0 0 "[ . 1 . 2]" 1
329 1 21 ILE HA 1 25 GLU HB3 4.920 . 4.920 4.147 3.851 4.414 . 0 0 "[ . 1 . 2]" 1
330 1 21 ILE HA 1 26 LEU QD 5.440 . 5.440 5.071 4.602 5.468 0.028 16 0 "[ . 1 . 2]" 1
331 1 21 ILE HB 1 26 LEU QD 3.870 . 3.870 3.963 3.781 4.063 0.193 5 0 "[ . 1 . 2]" 1
332 1 21 ILE HB 1 57 ILE HA 5.490 . 5.490 4.989 4.755 5.108 . 0 0 "[ . 1 . 2]" 1
333 1 21 ILE HB 1 57 ILE HB 3.940 . 3.940 2.292 2.237 2.438 . 0 0 "[ . 1 . 2]" 1
334 1 21 ILE HB 1 57 ILE H 3.630 . 3.630 3.237 2.915 3.403 . 0 0 "[ . 1 . 2]" 1
335 1 21 ILE HB 1 57 ILE MG 4.060 . 4.060 3.404 2.750 3.946 . 0 0 "[ . 1 . 2]" 1
336 1 21 ILE H 1 21 ILE HB 3.810 . 3.810 2.610 2.454 2.703 . 0 0 "[ . 1 . 2]" 1
337 1 21 ILE H 1 21 ILE MD 4.730 . 4.730 3.737 3.419 3.863 . 0 0 "[ . 1 . 2]" 1
338 1 21 ILE H 1 21 ILE MG 4.450 . 4.450 3.834 3.767 3.878 . 0 0 "[ . 1 . 2]" 1
339 1 21 ILE H 1 57 ILE H 4.360 . 4.360 2.747 1.881 3.319 . 0 0 "[ . 1 . 2]" 1
340 1 21 ILE H 1 57 ILE MG 4.520 . 4.520 4.053 3.384 4.636 0.116 6 0 "[ . 1 . 2]" 1
341 1 21 ILE MD 1 22 SER H 5.500 . 5.500 5.110 4.991 5.253 . 0 0 "[ . 1 . 2]" 1
342 1 21 ILE MD 1 57 ILE HB 4.690 . 4.690 3.151 2.634 3.548 . 0 0 "[ . 1 . 2]" 1
343 1 21 ILE MD 1 57 ILE MG 4.050 . 4.050 2.813 2.202 3.362 . 0 0 "[ . 1 . 2]" 1
344 1 21 ILE MD 1 62 PHE QB 5.340 . 5.340 2.812 2.592 3.052 . 0 0 "[ . 1 . 2]" 1
345 1 21 ILE MD 1 62 PHE QD 3.530 . 3.530 2.908 2.419 3.340 . 0 0 "[ . 1 . 2]" 1
346 1 21 ILE QG 1 22 SER H 5.100 . 5.100 4.102 4.026 4.201 . 0 0 "[ . 1 . 2]" 1
347 1 21 ILE QG 1 57 ILE H 4.610 . 4.610 4.662 4.278 4.806 0.196 4 0 "[ . 1 . 2]" 1
348 1 21 ILE QG 1 57 ILE MG 5.120 . 5.120 4.009 3.244 4.598 . 0 0 "[ . 1 . 2]" 1
349 1 21 ILE QG 1 58 ASN HA 5.340 . 5.340 4.891 4.636 5.172 . 0 0 "[ . 1 . 2]" 1
350 1 21 ILE MD 1 21 ILE MG 3.800 . 3.800 1.865 1.815 1.959 . 0 0 "[ . 1 . 2]" 1
351 1 21 ILE QG 1 21 ILE MG 3.290 . 3.290 2.250 2.209 2.284 . 0 0 "[ . 1 . 2]" 1
352 1 21 ILE MG 1 22 SER H 4.560 . 4.560 2.625 2.451 2.888 . 0 0 "[ . 1 . 2]" 1
353 1 21 ILE MG 1 25 GLU H 4.680 . 4.680 4.496 4.291 4.769 0.089 4 0 "[ . 1 . 2]" 1
354 1 21 ILE MG 1 25 GLU HB2 4.540 . 4.540 2.831 2.612 3.145 . 0 0 "[ . 1 . 2]" 1
355 1 21 ILE MG 1 25 GLU HB3 5.240 . 5.240 3.341 3.129 3.795 . 0 0 "[ . 1 . 2]" 1
356 1 21 ILE MG 1 25 GLU HG3 5.500 . 5.500 4.903 4.643 5.350 . 0 0 "[ . 1 . 2]" 1
357 1 21 ILE MG 1 25 GLU HG2 5.500 . 5.500 5.170 4.987 5.545 0.045 4 0 "[ . 1 . 2]" 1
358 1 21 ILE MG 1 26 LEU HA 4.280 . 4.280 3.436 3.281 3.654 . 0 0 "[ . 1 . 2]" 1
359 1 21 ILE MG 1 26 LEU H 3.470 . 3.470 3.260 3.024 3.377 . 0 0 "[ . 1 . 2]" 1
360 1 21 ILE MG 1 26 LEU QB 4.320 . 4.320 2.534 2.246 2.768 . 0 0 "[ . 1 . 2]" 1
361 1 21 ILE MG 1 62 PHE QD 5.500 . 5.500 4.726 4.080 5.329 . 0 0 "[ . 1 . 2]" 1
362 1 22 SER HA 1 23 ALA H 3.320 . 3.320 2.315 2.262 2.347 . 0 0 "[ . 1 . 2]" 1
363 1 22 SER HA 1 23 ALA MB 5.500 . 5.500 4.136 4.092 4.157 . 0 0 "[ . 1 . 2]" 1
364 1 22 SER HA 1 24 ALA H 4.310 . 4.310 4.118 3.954 4.229 . 0 0 "[ . 1 . 2]" 1
365 1 22 SER HA 1 25 GLU H 5.110 . 5.110 4.429 4.307 4.563 . 0 0 "[ . 1 . 2]" 1
366 1 22 SER HA 1 46 ILE MD 4.980 . 4.980 3.938 3.294 4.811 . 0 0 "[ . 1 . 2]" 1
367 1 22 SER HA 1 46 ILE MG 5.500 . 5.500 4.703 4.290 5.164 . 0 0 "[ . 1 . 2]" 1
368 1 22 SER HA 1 56 GLN HB3 5.500 . 5.500 4.166 2.444 4.948 . 0 0 "[ . 1 . 2]" 1
369 1 22 SER HA 1 56 GLN HB2 5.500 . 5.500 5.307 3.487 5.669 0.169 8 0 "[ . 1 . 2]" 1
370 1 22 SER HA 1 56 GLN QG 4.480 . 4.480 3.067 2.302 4.464 . 0 0 "[ . 1 . 2]" 1
371 1 22 SER HA 1 57 ILE MD 5.400 . 5.400 4.658 3.506 5.442 0.042 15 0 "[ . 1 . 2]" 1
372 1 22 SER H 1 25 GLU H 5.150 . 5.150 3.480 3.372 3.717 . 0 0 "[ . 1 . 2]" 1
373 1 22 SER H 1 25 GLU HB2 3.590 . 3.590 2.073 1.883 2.233 . 0 0 "[ . 1 . 2]" 1
374 1 22 SER H 1 25 GLU HG3 5.500 . 5.500 3.435 3.173 3.847 . 0 0 "[ . 1 . 2]" 1
375 1 22 SER H 1 25 GLU HG2 5.500 . 5.500 4.375 4.191 4.528 . 0 0 "[ . 1 . 2]" 1
376 1 22 SER QB 1 23 ALA H 4.180 . 4.180 3.029 2.648 3.486 . 0 0 "[ . 1 . 2]" 1
377 1 22 SER QB 1 23 ALA MB 5.340 . 5.340 4.249 3.863 4.632 . 0 0 "[ . 1 . 2]" 1
378 1 22 SER QB 1 24 ALA H 3.770 . 3.770 3.078 2.658 3.584 . 0 0 "[ . 1 . 2]" 1
379 1 22 SER QB 1 24 ALA MB 4.740 . 4.740 2.912 2.405 3.343 . 0 0 "[ . 1 . 2]" 1
380 1 22 SER QB 1 25 GLU H 4.500 . 4.500 2.647 1.997 3.369 . 0 0 "[ . 1 . 2]" 1
381 1 22 SER QB 1 26 LEU H 5.120 . 5.120 4.268 3.754 4.770 . 0 0 "[ . 1 . 2]" 1
382 1 22 SER QB 1 56 GLN QB 4.760 . 4.760 4.516 3.265 5.036 0.276 15 0 "[ . 1 . 2]" 1
383 1 22 SER QB 1 56 GLN QG 5.180 . 5.180 3.263 2.284 4.895 . 0 0 "[ . 1 . 2]" 1
384 1 22 SER HB3 1 24 ALA MB 5.500 . 5.500 3.404 2.728 4.156 . 0 0 "[ . 1 . 2]" 1
385 1 22 SER HB2 1 24 ALA MB 5.500 . 5.500 3.486 2.479 4.220 . 0 0 "[ . 1 . 2]" 1
386 1 23 ALA HA 1 24 ALA H 3.570 . 3.570 3.521 3.494 3.542 . 0 0 "[ . 1 . 2]" 1
387 1 23 ALA HA 1 26 LEU H 4.590 . 4.590 3.294 3.230 3.401 . 0 0 "[ . 1 . 2]" 1
388 1 23 ALA HA 1 26 LEU QB 3.510 . 3.510 2.283 2.207 2.378 . 0 0 "[ . 1 . 2]" 1
389 1 23 ALA HA 1 27 ARG H 4.320 . 4.320 3.694 3.557 3.842 . 0 0 "[ . 1 . 2]" 1
390 1 23 ALA HA 1 42 VAL MG1 3.400 . 3.400 3.143 2.502 3.479 0.079 12 0 "[ . 1 . 2]" 1
391 1 23 ALA HA 1 46 ILE MD 3.580 . 3.580 2.644 2.320 3.034 . 0 0 "[ . 1 . 2]" 1
392 1 23 ALA HA 1 46 ILE QG 3.170 . 3.170 2.811 2.409 3.191 0.021 8 0 "[ . 1 . 2]" 1
393 1 23 ALA H 1 23 ALA MB 3.100 . 3.100 2.222 2.145 2.257 . 0 0 "[ . 1 . 2]" 1
394 1 23 ALA H 1 24 ALA H 4.110 . 4.110 2.645 2.566 2.691 . 0 0 "[ . 1 . 2]" 1
395 1 23 ALA H 1 25 GLU H 5.500 . 5.500 4.277 4.166 4.450 . 0 0 "[ . 1 . 2]" 1
396 1 23 ALA H 1 26 LEU QB 5.340 . 5.340 4.347 4.269 4.454 . 0 0 "[ . 1 . 2]" 1
397 1 23 ALA H 1 46 ILE MG 4.600 . 4.600 3.841 3.328 4.444 . 0 0 "[ . 1 . 2]" 1
398 1 23 ALA H 1 56 GLN QG 5.340 . 5.340 4.521 4.046 5.543 0.203 13 0 "[ . 1 . 2]" 1
399 1 23 ALA MB 1 42 VAL MG2 5.020 . 5.020 4.337 3.859 4.740 . 0 0 "[ . 1 . 2]" 1
400 1 23 ALA MB 1 46 ILE MG 3.770 . 3.770 2.783 2.339 3.508 . 0 0 "[ . 1 . 2]" 1
401 1 24 ALA HA 1 27 ARG H 5.500 . 5.500 3.544 3.455 3.611 . 0 0 "[ . 1 . 2]" 1
402 1 24 ALA HA 1 27 ARG QB 3.350 . 3.350 2.702 2.545 2.848 . 0 0 "[ . 1 . 2]" 1
403 1 24 ALA HA 1 27 ARG HD3 5.500 . 5.500 4.167 3.723 5.459 . 0 0 "[ . 1 . 2]" 1
404 1 24 ALA HA 1 27 ARG HD2 5.500 . 5.500 4.755 3.753 5.608 0.108 10 0 "[ . 1 . 2]" 1
405 1 24 ALA H 1 24 ALA MB 3.090 . 3.090 2.183 2.126 2.214 . 0 0 "[ . 1 . 2]" 1
406 1 24 ALA H 1 25 GLU H 3.590 . 3.590 2.805 2.695 2.918 . 0 0 "[ . 1 . 2]" 1
407 1 24 ALA H 1 25 GLU QB 5.330 . 5.330 4.657 4.515 4.821 . 0 0 "[ . 1 . 2]" 1
408 1 24 ALA H 1 46 ILE MD 5.500 . 5.500 5.253 4.770 5.647 0.147 8 0 "[ . 1 . 2]" 1
409 1 24 ALA MB 1 25 GLU H 3.500 . 3.500 2.248 2.146 2.382 . 0 0 "[ . 1 . 2]" 1
410 1 24 ALA MB 1 25 GLU QG 4.450 . 4.450 2.853 2.713 3.001 . 0 0 "[ . 1 . 2]" 1
411 1 25 GLU HA 1 25 GLU QG 2.860 . 2.860 2.342 2.295 2.426 . 0 0 "[ . 1 . 2]" 1
412 1 25 GLU H 1 25 GLU HB2 3.190 . 3.190 2.365 2.293 2.468 . 0 0 "[ . 1 . 2]" 1
413 1 25 GLU H 1 25 GLU QG 3.340 . 3.340 2.173 2.001 2.275 . 0 0 "[ . 1 . 2]" 1
414 1 25 GLU H 1 26 LEU H 3.840 . 3.840 2.591 2.536 2.657 . 0 0 "[ . 1 . 2]" 1
415 1 25 GLU H 1 27 ARG H 5.500 . 5.500 3.985 3.904 4.059 . 0 0 "[ . 1 . 2]" 1
416 1 25 GLU HB2 1 26 LEU H 3.690 . 3.690 2.540 2.481 2.594 . 0 0 "[ . 1 . 2]" 1
417 1 26 LEU HA 1 26 LEU QD 3.560 . 3.560 2.304 2.204 2.946 . 0 0 "[ . 1 . 2]" 1
418 1 26 LEU HA 1 29 VAL HB 3.370 . 3.370 2.666 2.525 2.890 . 0 0 "[ . 1 . 2]" 1
419 1 26 LEU HA 1 29 VAL H 4.350 . 4.350 3.478 3.358 3.582 . 0 0 "[ . 1 . 2]" 1
420 1 26 LEU HA 1 30 MET H 4.630 . 4.630 3.857 3.671 4.103 . 0 0 "[ . 1 . 2]" 1
421 1 26 LEU HG 1 30 MET H 4.850 . 4.850 4.219 3.923 4.762 . 0 0 "[ . 1 . 2]" 1
422 1 26 LEU HG 1 30 MET QG 4.310 . 4.310 2.756 2.307 3.276 . 0 0 "[ . 1 . 2]" 1
423 1 26 LEU H 1 26 LEU QB 3.060 . 3.060 2.187 2.153 2.231 . 0 0 "[ . 1 . 2]" 1
424 1 26 LEU H 1 26 LEU HB3 3.520 . 3.520 2.747 2.622 2.825 . 0 0 "[ . 1 . 2]" 1
425 1 26 LEU H 1 26 LEU HB2 3.520 . 3.520 2.303 2.232 2.414 . 0 0 "[ . 1 . 2]" 1
426 1 26 LEU QB 1 26 LEU QD 2.660 . 2.660 1.910 1.898 1.929 . 0 0 "[ . 1 . 2]" 1
427 1 26 LEU QB 1 27 ARG H 3.870 . 3.870 2.587 2.516 2.715 . 0 0 "[ . 1 . 2]" 1
428 1 26 LEU QD 1 30 MET H 5.050 . 5.050 4.448 3.775 4.660 . 0 0 "[ . 1 . 2]" 1
429 1 26 LEU QD 1 30 MET ME 3.100 . 3.100 2.610 1.998 3.124 0.024 10 0 "[ . 1 . 2]" 1
430 1 26 LEU QD 1 30 MET QG 3.430 . 3.430 3.010 2.069 3.419 . 0 0 "[ . 1 . 2]" 1
431 1 26 LEU QD 1 42 VAL HA 4.730 . 4.730 3.328 2.994 3.741 . 0 0 "[ . 1 . 2]" 1
432 1 26 LEU QD 1 45 MET ME 4.110 . 4.110 2.123 1.793 2.458 . 0 0 "[ . 1 . 2]" 1
433 1 27 ARG HA 1 27 ARG QD 4.840 . 4.840 3.883 2.313 4.153 . 0 0 "[ . 1 . 2]" 1
434 1 27 ARG HA 1 27 ARG HD3 5.500 . 5.500 4.472 3.698 4.759 . 0 0 "[ . 1 . 2]" 1
435 1 27 ARG HA 1 27 ARG HD2 5.500 . 5.500 4.343 2.337 4.713 . 0 0 "[ . 1 . 2]" 1
436 1 27 ARG HA 1 30 MET H 5.500 . 5.500 3.662 3.521 3.750 . 0 0 "[ . 1 . 2]" 1
437 1 27 ARG HA 1 31 THR H 5.500 . 5.500 4.156 3.956 4.276 . 0 0 "[ . 1 . 2]" 1
438 1 27 ARG HA 1 42 VAL MG1 4.950 . 4.950 3.910 3.212 4.330 . 0 0 "[ . 1 . 2]" 1
439 1 27 ARG HA 1 42 VAL MG2 5.150 . 5.150 3.433 3.079 3.836 . 0 0 "[ . 1 . 2]" 1
440 1 27 ARG H 1 27 ARG QB 3.110 . 3.110 2.271 2.240 2.296 . 0 0 "[ . 1 . 2]" 1
441 1 27 ARG H 1 27 ARG HB3 3.620 . 3.620 2.576 2.530 2.710 . 0 0 "[ . 1 . 2]" 1
442 1 27 ARG H 1 27 ARG HB2 3.620 . 3.620 2.529 2.405 2.588 . 0 0 "[ . 1 . 2]" 1
443 1 27 ARG H 1 27 ARG HD3 5.500 . 5.500 4.999 4.774 5.900 0.400 11 0 "[ . 1 . 2]" 1
444 1 27 ARG H 1 27 ARG HD2 5.500 . 5.500 5.232 4.294 5.913 0.413 4 0 "[ . 1 . 2]" 1
445 1 27 ARG H 1 28 HIS H 3.650 . 3.650 2.615 2.553 2.668 . 0 0 "[ . 1 . 2]" 1
446 1 27 ARG H 1 29 VAL H 4.550 . 4.550 4.111 4.013 4.206 . 0 0 "[ . 1 . 2]" 1
447 1 27 ARG H 1 42 VAL MG1 5.410 . 5.410 4.010 3.652 4.402 . 0 0 "[ . 1 . 2]" 1
448 1 27 ARG QB 1 42 VAL MG1 3.310 . 3.310 2.983 2.544 3.344 0.034 10 0 "[ . 1 . 2]" 1
449 1 27 ARG HD3 1 42 VAL MG1 5.500 . 5.500 4.681 3.314 5.478 . 0 0 "[ . 1 . 2]" 1
450 1 27 ARG HD3 1 42 VAL MG2 5.500 . 5.500 4.774 3.172 5.521 0.021 5 0 "[ . 1 . 2]" 1
451 1 27 ARG HD2 1 42 VAL MG1 5.500 . 5.500 4.375 3.164 5.415 . 0 0 "[ . 1 . 2]" 1
452 1 27 ARG HD2 1 42 VAL MG2 5.500 . 5.500 4.254 2.441 5.460 . 0 0 "[ . 1 . 2]" 1
453 1 27 ARG QG 1 42 VAL MG2 4.220 . 4.220 3.337 2.862 4.235 0.015 10 0 "[ . 1 . 2]" 1
454 1 28 HIS HA 1 31 THR H 5.500 . 5.500 3.407 3.318 3.534 . 0 0 "[ . 1 . 2]" 1
455 1 28 HIS H 1 28 HIS QB 3.640 . 3.640 2.287 2.232 2.394 . 0 0 "[ . 1 . 2]" 1
456 1 28 HIS QB 1 29 VAL H 3.770 . 3.770 2.515 2.407 2.595 . 0 0 "[ . 1 . 2]" 1
457 1 28 HIS HB3 1 29 VAL H 4.330 . 4.330 3.014 2.436 3.616 . 0 0 "[ . 1 . 2]" 1
458 1 28 HIS HB2 1 29 VAL H 4.330 . 4.330 3.209 2.511 3.887 . 0 0 "[ . 1 . 2]" 1
459 1 29 VAL HA 1 29 VAL MG2 3.350 . 3.350 2.374 2.349 2.405 . 0 0 "[ . 1 . 2]" 1
460 1 29 VAL HA 1 30 MET HA 5.500 . 5.500 4.795 4.769 4.813 . 0 0 "[ . 1 . 2]" 1
461 1 29 VAL HA 1 32 ASN HB3 4.280 . 4.280 3.651 2.736 4.388 0.108 5 0 "[ . 1 . 2]" 1
462 1 29 VAL HA 1 32 ASN HB2 4.280 . 4.280 3.082 2.438 3.771 . 0 0 "[ . 1 . 2]" 1
463 1 29 VAL HB 1 30 MET H 3.440 . 3.440 2.603 2.540 2.687 . 0 0 "[ . 1 . 2]" 1
464 1 29 VAL H 1 29 VAL HB 3.460 . 3.460 2.434 2.384 2.547 . 0 0 "[ . 1 . 2]" 1
465 1 29 VAL H 1 29 VAL MG1 4.330 . 4.330 3.741 3.729 3.760 . 0 0 "[ . 1 . 2]" 1
466 1 29 VAL H 1 29 VAL MG2 3.430 . 3.430 2.175 2.124 2.240 . 0 0 "[ . 1 . 2]" 1
467 1 29 VAL H 1 30 MET H 4.100 . 4.100 2.644 2.588 2.694 . 0 0 "[ . 1 . 2]" 1
468 1 29 VAL MG1 1 30 MET HA 5.500 . 5.500 3.473 3.406 3.628 . 0 0 "[ . 1 . 2]" 1
469 1 29 VAL MG1 1 30 MET H 4.750 . 4.750 3.369 3.274 3.554 . 0 0 "[ . 1 . 2]" 1
470 1 29 VAL MG1 1 30 MET ME 5.500 . 5.500 3.672 3.048 4.588 . 0 0 "[ . 1 . 2]" 1
471 1 29 VAL MG1 1 30 MET QG 5.270 . 5.270 3.732 3.293 4.365 . 0 0 "[ . 1 . 2]" 1
472 1 29 VAL MG1 1 32 ASN QB 5.340 . 5.340 3.573 3.356 3.870 . 0 0 "[ . 1 . 2]" 1
473 1 29 VAL MG2 1 30 MET H 5.330 . 5.330 3.889 3.845 3.934 . 0 0 "[ . 1 . 2]" 1
474 1 30 MET HA 1 30 MET ME 4.470 . 4.470 3.653 3.338 4.069 . 0 0 "[ . 1 . 2]" 1
475 1 30 MET HA 1 33 LEU HG 4.410 . 4.410 4.165 3.647 4.626 0.216 1 0 "[ . 1 . 2]" 1
476 1 30 MET HA 1 33 LEU H 3.890 . 3.890 3.429 3.311 3.529 . 0 0 "[ . 1 . 2]" 1
477 1 30 MET HA 1 33 LEU HB2 4.130 . 4.130 2.576 2.284 3.192 . 0 0 "[ . 1 . 2]" 1
478 1 30 MET HA 1 33 LEU MD2 3.850 . 3.850 3.021 2.555 3.518 . 0 0 "[ . 1 . 2]" 1
479 1 30 MET H 1 30 MET QB 3.470 . 3.470 2.247 2.200 2.293 . 0 0 "[ . 1 . 2]" 1
480 1 30 MET H 1 30 MET QG 3.260 . 3.260 2.734 2.437 3.372 0.112 5 0 "[ . 1 . 2]" 1
481 1 30 MET H 1 30 MET HG3 3.810 . 3.810 3.739 3.559 3.926 0.116 7 0 "[ . 1 . 2]" 1
482 1 30 MET H 1 30 MET HG2 3.810 . 3.810 2.847 2.473 3.683 . 0 0 "[ . 1 . 2]" 1
483 1 30 MET H 1 31 THR HA 5.500 . 5.500 5.193 5.127 5.267 . 0 0 "[ . 1 . 2]" 1
484 1 30 MET H 1 31 THR H 2.930 . 2.930 2.547 2.467 2.619 . 0 0 "[ . 1 . 2]" 1
485 1 30 MET QB 1 31 THR H 3.670 . 3.670 2.772 2.619 2.884 . 0 0 "[ . 1 . 2]" 1
486 1 30 MET QB 1 37 LEU MD2 3.290 . 3.290 3.091 2.264 3.381 0.091 8 0 "[ . 1 . 2]" 1
487 1 30 MET HB3 1 31 THR H 4.460 . 4.460 3.629 3.517 3.747 . 0 0 "[ . 1 . 2]" 1
488 1 30 MET HB2 1 31 THR H 4.460 . 4.460 2.877 2.702 2.999 . 0 0 "[ . 1 . 2]" 1
489 1 30 MET QG 1 33 LEU MD2 4.410 . 4.410 4.140 3.106 4.608 0.198 3 0 "[ . 1 . 2]" 1
490 1 30 MET QG 1 37 LEU QD 3.910 . 3.910 2.536 2.186 3.005 . 0 0 "[ . 1 . 2]" 1
491 1 30 MET QG 1 37 LEU MD2 3.610 . 3.610 2.644 2.244 3.136 . 0 0 "[ . 1 . 2]" 1
492 1 30 MET HG3 1 37 LEU MD2 4.230 . 4.230 2.855 2.261 3.651 . 0 0 "[ . 1 . 2]" 1
493 1 30 MET HG2 1 37 LEU MD2 4.230 . 4.230 3.754 2.355 4.307 0.077 17 0 "[ . 1 . 2]" 1
494 1 31 THR HB 1 32 ASN H 4.990 . 4.990 2.712 2.491 3.558 . 0 0 "[ . 1 . 2]" 1
495 1 31 THR H 1 31 THR HB 3.190 . 3.190 2.664 2.436 3.539 0.349 18 0 "[ . 1 . 2]" 1
496 1 31 THR H 1 31 THR MG 4.130 . 4.130 3.552 2.330 3.768 . 0 0 "[ . 1 . 2]" 1
497 1 31 THR H 1 32 ASN H 4.230 . 4.230 2.561 2.424 2.650 . 0 0 "[ . 1 . 2]" 1
498 1 31 THR H 1 32 ASN QB 4.940 . 4.940 4.356 4.189 4.545 . 0 0 "[ . 1 . 2]" 1
499 1 31 THR MG 1 32 ASN QB 5.340 . 5.340 4.691 4.178 5.505 0.165 20 0 "[ . 1 . 2]" 1
500 1 32 ASN HA 1 34 GLY H 5.030 . 5.030 4.138 3.569 4.633 . 0 0 "[ . 1 . 2]" 1
501 1 32 ASN H 1 32 ASN QB 3.390 . 3.390 2.282 2.231 2.393 . 0 0 "[ . 1 . 2]" 1
502 1 32 ASN H 1 33 LEU H 3.790 . 3.790 2.497 2.420 2.573 . 0 0 "[ . 1 . 2]" 1
503 1 32 ASN H 1 33 LEU HB2 5.470 . 5.470 4.406 4.146 4.840 . 0 0 "[ . 1 . 2]" 1
504 1 32 ASN QB 1 33 LEU HB2 4.550 . 4.550 3.996 3.840 4.132 . 0 0 "[ . 1 . 2]" 1
505 1 33 LEU HA 1 33 LEU HG 3.850 . 3.850 3.379 2.909 3.698 . 0 0 "[ . 1 . 2]" 1
506 1 33 LEU HA 1 33 LEU MD1 3.660 . 3.660 2.142 2.064 2.214 . 0 0 "[ . 1 . 2]" 1
507 1 33 LEU HG 1 35 GLU H 4.130 . 4.130 3.869 2.657 4.353 0.223 10 0 "[ . 1 . 2]" 1
508 1 33 LEU HG 1 35 GLU HG3 4.740 . 4.740 2.769 2.155 3.280 . 0 0 "[ . 1 . 2]" 1
509 1 33 LEU HG 1 35 GLU HG2 3.850 . 3.850 3.008 2.321 3.997 0.147 2 0 "[ . 1 . 2]" 1
510 1 33 LEU H 1 33 LEU HG 4.490 . 4.490 4.459 4.286 4.511 0.021 12 0 "[ . 1 . 2]" 1
511 1 33 LEU H 1 33 LEU HB2 3.220 . 3.220 2.185 1.993 2.507 . 0 0 "[ . 1 . 2]" 1
512 1 33 LEU H 1 34 GLY H 2.900 . 2.900 2.707 2.638 2.857 . 0 0 "[ . 1 . 2]" 1
513 1 33 LEU HB3 1 33 LEU MD1 3.320 . 3.320 2.926 2.550 3.231 . 0 0 "[ . 1 . 2]" 1
514 1 33 LEU HB2 1 33 LEU MD2 3.340 . 3.340 2.288 2.199 2.379 . 0 0 "[ . 1 . 2]" 1
515 1 33 LEU HB2 1 34 GLY H 4.650 . 4.650 3.648 3.190 4.049 . 0 0 "[ . 1 . 2]" 1
516 1 33 LEU MD1 1 34 GLY H 4.930 . 4.930 4.166 3.641 4.730 . 0 0 "[ . 1 . 2]" 1
517 1 33 LEU MD1 1 35 GLU HG3 4.250 . 4.250 3.445 2.273 4.321 0.071 14 0 "[ . 1 . 2]" 1
518 1 33 LEU MD1 1 35 GLU HG2 4.170 . 4.170 3.546 2.263 4.496 0.326 17 0 "[ . 1 . 2]" 1
519 1 33 LEU MD2 1 34 GLY H 5.280 . 5.280 4.635 4.231 4.842 . 0 0 "[ . 1 . 2]" 1
520 1 34 GLY H 1 35 GLU H 3.110 . 3.110 1.901 1.720 2.053 . 0 0 "[ . 1 . 2]" 1
521 1 34 GLY H 1 35 GLU HG2 5.500 . 5.500 4.532 3.408 5.809 0.309 17 0 "[ . 1 . 2]" 1
522 1 34 GLY QA 1 35 GLU H 3.010 . 3.010 2.814 2.750 2.852 . 0 0 "[ . 1 . 2]" 1
523 1 35 GLU HA 1 35 GLU QB 2.590 . 2.590 2.381 2.189 2.433 . 0 0 "[ . 1 . 2]" 1
524 1 35 GLU HA 1 35 GLU HG3 3.410 . 3.410 3.464 2.900 3.703 0.293 9 0 "[ . 1 . 2]" 1
525 1 35 GLU HA 1 35 GLU HG2 3.860 . 3.860 2.776 2.463 3.598 . 0 0 "[ . 1 . 2]" 1
526 1 35 GLU HA 1 36 LYS H 3.100 . 3.100 2.268 2.197 2.420 . 0 0 "[ . 1 . 2]" 1
527 1 35 GLU H 1 35 GLU QB 3.400 . 3.400 2.465 2.310 3.288 . 0 0 "[ . 1 . 2]" 1
528 1 35 GLU H 1 35 GLU HG3 3.830 . 3.830 3.558 2.649 4.014 0.184 19 0 "[ . 1 . 2]" 1
529 1 35 GLU H 1 35 GLU HG2 3.980 . 3.980 3.128 2.492 4.134 0.154 16 0 "[ . 1 . 2]" 1
530 1 35 GLU H 1 36 LYS H 4.910 . 4.910 4.284 3.461 4.522 . 0 0 "[ . 1 . 2]" 1
531 1 36 LYS HA 1 37 LEU H 3.090 . 3.090 2.213 2.150 2.319 . 0 0 "[ . 1 . 2]" 1
532 1 36 LYS HA 1 37 LEU QD 4.360 . 4.360 3.100 2.317 3.561 . 0 0 "[ . 1 . 2]" 1
533 1 36 LYS H 1 36 LYS QB 3.130 . 3.130 2.625 2.263 3.097 . 0 0 "[ . 1 . 2]" 1
534 1 36 LYS H 1 36 LYS QG 4.720 . 4.720 2.917 1.892 4.118 . 0 0 "[ . 1 . 2]" 1
535 1 36 LYS H 1 36 LYS HG3 5.500 . 5.500 3.384 2.093 4.691 . 0 0 "[ . 1 . 2]" 1
536 1 36 LYS H 1 36 LYS HG2 5.500 . 5.500 3.542 1.913 4.813 . 0 0 "[ . 1 . 2]" 1
537 1 36 LYS H 1 37 LEU HA 5.500 . 5.500 4.883 4.740 5.295 . 0 0 "[ . 1 . 2]" 1
538 1 36 LYS H 1 37 LEU H 5.130 . 5.130 4.053 3.728 4.567 . 0 0 "[ . 1 . 2]" 1
539 1 36 LYS H 1 37 LEU QD 5.440 . 5.440 3.232 2.873 4.805 . 0 0 "[ . 1 . 2]" 1
540 1 37 LEU HA 1 37 LEU QD 3.310 . 3.310 2.535 1.998 3.292 . 0 0 "[ . 1 . 2]" 1
541 1 37 LEU HA 1 37 LEU MD1 4.290 . 4.290 2.673 2.145 4.100 . 0 0 "[ . 1 . 2]" 1
542 1 37 LEU HA 1 37 LEU MD2 4.290 . 4.290 3.566 2.275 4.121 . 0 0 "[ . 1 . 2]" 1
543 1 37 LEU HA 1 38 THR H 3.270 . 3.270 2.356 2.231 2.634 . 0 0 "[ . 1 . 2]" 1
544 1 37 LEU HA 1 41 GLU QB 4.430 . 4.430 3.758 3.446 4.138 . 0 0 "[ . 1 . 2]" 1
545 1 37 LEU HA 1 41 GLU QG 5.340 . 5.340 4.276 3.695 5.011 . 0 0 "[ . 1 . 2]" 1
546 1 37 LEU H 1 37 LEU HG 4.270 . 4.270 3.713 1.803 4.102 . 0 0 "[ . 1 . 2]" 1
547 1 37 LEU H 1 37 LEU QB 3.480 . 3.480 2.452 2.228 3.034 . 0 0 "[ . 1 . 2]" 1
548 1 37 LEU H 1 37 LEU QD 3.840 . 3.840 2.038 1.725 2.646 . 0 0 "[ . 1 . 2]" 1
549 1 37 LEU H 1 38 THR H 5.500 . 5.500 4.527 4.397 4.589 . 0 0 "[ . 1 . 2]" 1
550 1 37 LEU QB 1 38 THR HA 5.340 . 5.340 4.311 4.163 4.413 . 0 0 "[ . 1 . 2]" 1
551 1 37 LEU QB 1 38 THR H 3.130 . 3.130 2.524 2.034 2.778 . 0 0 "[ . 1 . 2]" 1
552 1 37 LEU QB 1 41 GLU H 4.830 . 4.830 4.346 3.989 4.928 0.098 20 0 "[ . 1 . 2]" 1
553 1 37 LEU QB 1 41 GLU QB 4.050 . 4.050 2.372 2.022 3.074 . 0 0 "[ . 1 . 2]" 1
554 1 37 LEU QB 1 41 GLU QG 4.760 . 4.760 3.763 2.687 4.941 0.181 20 0 "[ . 1 . 2]" 1
555 1 37 LEU QB 1 42 VAL HA 5.340 . 5.340 4.004 3.849 4.367 . 0 0 "[ . 1 . 2]" 1
556 1 37 LEU QB 1 42 VAL H 5.310 . 5.310 3.353 3.110 3.736 . 0 0 "[ . 1 . 2]" 1
557 1 37 LEU QB 1 42 VAL MG2 3.170 . 3.170 2.136 2.057 2.375 . 0 0 "[ . 1 . 2]" 1
558 1 37 LEU HB3 1 38 THR H 3.850 . 3.850 2.633 2.082 3.437 . 0 0 "[ . 1 . 2]" 1
559 1 37 LEU HB3 1 42 VAL MG2 3.640 . 3.640 2.624 2.108 3.760 0.120 9 0 "[ . 1 . 2]" 1
560 1 37 LEU HB2 1 38 THR H 3.850 . 3.850 3.613 2.504 3.987 0.137 11 0 "[ . 1 . 2]" 1
561 1 37 LEU HB2 1 42 VAL MG2 3.640 . 3.640 2.469 2.202 3.063 . 0 0 "[ . 1 . 2]" 1
562 1 37 LEU QD 1 38 THR H 4.630 . 4.630 3.805 2.738 4.083 . 0 0 "[ . 1 . 2]" 1
563 1 37 LEU QD 1 41 GLU QB 3.610 . 3.610 2.866 2.026 3.462 . 0 0 "[ . 1 . 2]" 1
564 1 37 LEU QD 1 41 GLU QG 4.580 . 4.580 4.112 3.543 4.655 0.075 15 0 "[ . 1 . 2]" 1
565 1 37 LEU QD 1 42 VAL HA 3.740 . 3.740 3.524 2.619 4.162 0.422 16 0 "[ . 1 . 2]" 1
566 1 37 LEU QD 1 42 VAL HB 4.830 . 4.830 4.873 3.794 5.077 0.247 20 0 "[ . 1 . 2]" 1
567 1 37 LEU MD1 1 38 THR H 5.500 . 5.500 4.230 2.776 4.582 . 0 0 "[ . 1 . 2]" 1
568 1 37 LEU MD2 1 38 THR H 5.500 . 5.500 4.406 4.116 4.596 . 0 0 "[ . 1 . 2]" 1
569 1 38 THR HA 1 39 ASP H 3.320 . 3.320 2.467 2.414 2.527 . 0 0 "[ . 1 . 2]" 1
570 1 38 THR HA 1 40 GLU H 4.740 . 4.740 4.374 4.218 4.457 . 0 0 "[ . 1 . 2]" 1
571 1 38 THR HA 1 40 GLU QB 5.340 . 5.340 5.537 5.479 5.638 0.298 11 0 "[ . 1 . 2]" 1
572 1 38 THR HA 1 41 GLU QG 5.340 . 5.340 5.198 4.920 5.551 0.211 9 0 "[ . 1 . 2]" 1
573 1 38 THR HB 1 39 ASP H 3.820 . 3.820 3.004 2.282 3.802 . 0 0 "[ . 1 . 2]" 1
574 1 38 THR HB 1 40 GLU H 4.490 . 4.490 3.552 2.781 4.465 . 0 0 "[ . 1 . 2]" 1
575 1 38 THR HB 1 40 GLU QB 5.340 . 5.340 4.041 3.322 4.650 . 0 0 "[ . 1 . 2]" 1
576 1 38 THR HB 1 42 VAL H 5.500 . 5.500 5.369 4.265 5.881 0.381 12 0 "[ . 1 . 2]" 1
577 1 38 THR H 1 38 THR MG 3.460 . 3.460 2.247 1.735 3.740 0.280 8 0 "[ . 1 . 2]" 1
578 1 38 THR H 1 41 GLU HA 5.500 . 5.500 5.319 5.081 5.485 . 0 0 "[ . 1 . 2]" 1
579 1 38 THR H 1 41 GLU H 4.630 . 4.630 3.619 3.428 3.777 . 0 0 "[ . 1 . 2]" 1
580 1 38 THR H 1 41 GLU QB 3.540 . 3.540 2.456 2.161 2.626 . 0 0 "[ . 1 . 2]" 1
581 1 38 THR H 1 41 GLU QG 5.340 . 5.340 3.084 2.740 3.400 . 0 0 "[ . 1 . 2]" 1
582 1 38 THR H 1 42 VAL H 5.500 . 5.500 4.116 3.785 4.291 . 0 0 "[ . 1 . 2]" 1
583 1 38 THR MG 1 39 ASP QB 4.860 . 4.860 4.534 2.872 5.310 0.450 19 0 "[ . 1 . 2]" 1
584 1 38 THR MG 1 40 GLU H 4.490 . 4.490 3.238 1.724 4.391 . 0 0 "[ . 1 . 2]" 1
585 1 38 THR MG 1 40 GLU QB 5.340 . 5.340 3.312 2.095 4.324 . 0 0 "[ . 1 . 2]" 1
586 1 38 THR MG 1 41 GLU HA 5.450 . 5.450 4.897 3.725 5.697 0.247 19 0 "[ . 1 . 2]" 1
587 1 38 THR MG 1 41 GLU QB 5.070 . 5.070 3.229 2.221 4.361 . 0 0 "[ . 1 . 2]" 1
588 1 39 ASP HA 1 42 VAL HB 2.930 . 2.930 2.543 2.352 2.823 . 0 0 "[ . 1 . 2]" 1
589 1 39 ASP HA 1 42 VAL H 5.220 . 5.220 3.672 3.566 3.763 . 0 0 "[ . 1 . 2]" 1
590 1 39 ASP HA 1 43 ASP H 3.700 . 3.700 3.839 3.711 3.989 0.289 17 0 "[ . 1 . 2]" 1
591 1 39 ASP H 1 39 ASP HB3 3.320 . 3.320 2.738 2.311 3.529 0.209 1 0 "[ . 1 . 2]" 1
592 1 39 ASP H 1 39 ASP HB2 3.320 . 3.320 2.644 2.159 3.539 0.219 6 0 "[ . 1 . 2]" 1
593 1 39 ASP H 1 40 GLU H 3.110 . 3.110 2.611 2.574 2.675 . 0 0 "[ . 1 . 2]" 1
594 1 39 ASP H 1 40 GLU QB 5.340 . 5.340 4.417 4.312 4.583 . 0 0 "[ . 1 . 2]" 1
595 1 39 ASP H 1 41 GLU H 5.500 . 5.500 4.230 4.090 4.372 . 0 0 "[ . 1 . 2]" 1
596 1 39 ASP H 1 42 VAL MG2 5.500 . 5.500 4.654 4.509 4.777 . 0 0 "[ . 1 . 2]" 1
597 1 39 ASP QB 1 40 GLU HA 4.560 . 4.560 4.097 3.867 4.482 . 0 0 "[ . 1 . 2]" 1
598 1 39 ASP QB 1 40 GLU H 3.730 . 3.730 2.730 2.513 3.376 . 0 0 "[ . 1 . 2]" 1
599 1 40 GLU HA 1 40 GLU QG 3.100 . 3.100 2.455 2.256 2.787 . 0 0 "[ . 1 . 2]" 1
600 1 40 GLU HA 1 43 ASP H 4.750 . 4.750 3.427 3.293 3.523 . 0 0 "[ . 1 . 2]" 1
601 1 40 GLU HA 1 43 ASP QB 4.820 . 4.820 2.508 2.344 2.657 . 0 0 "[ . 1 . 2]" 1
602 1 40 GLU H 1 40 GLU QB 3.200 . 3.200 2.263 2.151 2.392 . 0 0 "[ . 1 . 2]" 1
603 1 40 GLU H 1 40 GLU QG 4.530 . 4.530 3.295 2.080 4.047 . 0 0 "[ . 1 . 2]" 1
604 1 40 GLU H 1 40 GLU HG3 5.200 . 5.200 3.717 2.168 4.555 . 0 0 "[ . 1 . 2]" 1
605 1 40 GLU H 1 40 GLU HG2 5.200 . 5.200 3.975 2.097 4.647 . 0 0 "[ . 1 . 2]" 1
606 1 40 GLU H 1 41 GLU H 3.740 . 3.740 2.738 2.581 2.836 . 0 0 "[ . 1 . 2]" 1
607 1 40 GLU H 1 42 VAL H 4.950 . 4.950 4.150 4.092 4.234 . 0 0 "[ . 1 . 2]" 1
608 1 40 GLU H 1 43 ASP H 5.500 . 5.500 4.548 4.444 4.675 . 0 0 "[ . 1 . 2]" 1
609 1 40 GLU QB 1 41 GLU H 3.210 . 3.210 2.620 2.538 2.757 . 0 0 "[ . 1 . 2]" 1
610 1 40 GLU HB3 1 41 GLU H 3.920 . 3.920 3.042 2.574 3.695 . 0 0 "[ . 1 . 2]" 1
611 1 40 GLU HB2 1 41 GLU H 3.920 . 3.920 3.403 2.610 3.951 0.031 16 0 "[ . 1 . 2]" 1
612 1 41 GLU HA 1 41 GLU QB 2.580 . 2.580 2.424 2.401 2.464 . 0 0 "[ . 1 . 2]" 1
613 1 41 GLU HA 1 41 GLU QG 2.390 . 2.390 2.548 2.337 2.688 0.298 14 0 "[ . 1 . 2]" 1
614 1 41 GLU H 1 41 GLU QB 3.250 . 3.250 2.334 2.253 2.400 . 0 0 "[ . 1 . 2]" 1
615 1 41 GLU H 1 41 GLU HB3 3.900 . 3.900 3.586 3.556 3.607 . 0 0 "[ . 1 . 2]" 1
616 1 41 GLU H 1 41 GLU HB2 3.900 . 3.900 2.365 2.279 2.437 . 0 0 "[ . 1 . 2]" 1
617 1 41 GLU H 1 42 VAL H 3.890 . 3.890 2.513 2.467 2.543 . 0 0 "[ . 1 . 2]" 1
618 1 41 GLU H 1 43 ASP H 5.330 . 5.330 4.073 4.025 4.115 . 0 0 "[ . 1 . 2]" 1
619 1 41 GLU QB 1 42 VAL H 4.040 . 4.040 2.451 2.379 2.479 . 0 0 "[ . 1 . 2]" 1
620 1 41 GLU HG3 1 42 VAL H 5.500 . 5.500 4.695 4.254 4.985 . 0 0 "[ . 1 . 2]" 1
621 1 41 GLU HG2 1 42 VAL H 5.500 . 5.500 4.529 4.302 4.935 . 0 0 "[ . 1 . 2]" 1
622 1 42 VAL HA 1 42 VAL MG1 3.440 . 3.440 2.464 2.436 2.494 . 0 0 "[ . 1 . 2]" 1
623 1 42 VAL HA 1 42 VAL MG2 3.030 . 3.030 2.299 2.214 2.337 . 0 0 "[ . 1 . 2]" 1
624 1 42 VAL HA 1 44 GLU H 5.500 . 5.500 4.813 4.722 4.942 . 0 0 "[ . 1 . 2]" 1
625 1 42 VAL HA 1 45 MET H 4.030 . 4.030 3.834 3.737 3.921 . 0 0 "[ . 1 . 2]" 1
626 1 42 VAL HA 1 45 MET ME 5.500 . 5.500 4.378 2.484 5.554 0.054 20 0 "[ . 1 . 2]" 1
627 1 42 VAL HA 1 45 MET QG 5.500 . 5.500 4.643 4.540 4.712 . 0 0 "[ . 1 . 2]" 1
628 1 42 VAL HA 1 46 ILE H 4.470 . 4.470 4.191 4.060 4.331 . 0 0 "[ . 1 . 2]" 1
629 1 42 VAL HA 1 46 ILE QG 5.500 . 5.500 3.922 3.659 5.237 . 0 0 "[ . 1 . 2]" 1
630 1 42 VAL HB 1 43 ASP H 3.190 . 3.190 2.458 2.414 2.512 . 0 0 "[ . 1 . 2]" 1
631 1 42 VAL H 1 42 VAL HB 3.300 . 3.300 2.310 2.284 2.350 . 0 0 "[ . 1 . 2]" 1
632 1 42 VAL H 1 42 VAL MG2 3.240 . 3.240 2.212 2.146 2.286 . 0 0 "[ . 1 . 2]" 1
633 1 42 VAL H 1 43 ASP H 2.970 . 2.970 2.759 2.699 2.804 . 0 0 "[ . 1 . 2]" 1
634 1 42 VAL H 1 43 ASP QB 5.340 . 5.340 4.552 4.442 4.656 . 0 0 "[ . 1 . 2]" 1
635 1 42 VAL MG1 1 43 ASP HA 4.280 . 4.280 3.228 3.178 3.276 . 0 0 "[ . 1 . 2]" 1
636 1 42 VAL MG1 1 43 ASP QB 5.130 . 5.130 4.049 3.713 4.386 . 0 0 "[ . 1 . 2]" 1
637 1 42 VAL MG2 1 43 ASP H 3.910 . 3.910 3.885 3.856 3.920 0.010 17 0 "[ . 1 . 2]" 1
638 1 43 ASP HA 1 43 ASP QB 2.640 . 2.640 2.397 2.322 2.476 . 0 0 "[ . 1 . 2]" 1
639 1 43 ASP HA 1 46 ILE HB 3.110 . 3.110 2.354 2.322 2.437 . 0 0 "[ . 1 . 2]" 1
640 1 43 ASP HA 1 46 ILE MD 5.280 . 5.280 4.792 3.938 4.992 . 0 0 "[ . 1 . 2]" 1
641 1 43 ASP HA 1 46 ILE QG 4.380 . 4.380 3.460 3.198 3.796 . 0 0 "[ . 1 . 2]" 1
642 1 43 ASP HA 1 46 ILE MG 4.480 . 4.480 3.500 3.351 3.633 . 0 0 "[ . 1 . 2]" 1
643 1 43 ASP HA 1 47 ARG H 5.500 . 5.500 3.732 3.579 3.914 . 0 0 "[ . 1 . 2]" 1
644 1 43 ASP H 1 43 ASP QB 2.920 . 2.920 2.267 2.208 2.330 . 0 0 "[ . 1 . 2]" 1
645 1 43 ASP H 1 46 ILE QG 5.500 . 5.500 4.862 4.593 5.650 0.150 8 0 "[ . 1 . 2]" 1
646 1 43 ASP H 1 46 ILE MG 5.500 . 5.500 5.741 5.629 5.859 0.359 3 0 "[ . 1 . 2]" 1
647 1 43 ASP QB 1 44 GLU HA 5.340 . 5.340 3.947 3.812 4.188 . 0 0 "[ . 1 . 2]" 1
648 1 43 ASP QB 1 44 GLU QB 5.180 . 5.180 4.076 3.830 4.334 . 0 0 "[ . 1 . 2]" 1
649 1 44 GLU HA 1 44 GLU QG 2.420 . 2.420 2.427 2.290 2.613 0.193 15 0 "[ . 1 . 2]" 1
650 1 44 GLU H 1 44 GLU QB 3.260 . 3.260 2.280 2.214 2.351 . 0 0 "[ . 1 . 2]" 1
651 1 44 GLU H 1 45 MET H 2.960 . 2.960 2.807 2.771 2.836 . 0 0 "[ . 1 . 2]" 1
652 1 44 GLU H 1 46 ILE H 4.090 . 4.090 4.147 4.117 4.179 0.089 7 0 "[ . 1 . 2]" 1
653 1 44 GLU QB 1 45 MET H 3.250 . 3.250 2.536 2.423 2.605 . 0 0 "[ . 1 . 2]" 1
654 1 44 GLU QB 1 46 ILE H 5.340 . 5.340 4.634 4.591 4.686 . 0 0 "[ . 1 . 2]" 1
655 1 45 MET HA 1 45 MET QB 2.500 . 2.500 2.319 2.308 2.336 . 0 0 "[ . 1 . 2]" 1
656 1 45 MET HA 1 45 MET HB3 2.950 . 2.950 3.020 3.017 3.023 0.073 16 0 "[ . 1 . 2]" 1
657 1 45 MET HA 1 45 MET HB2 2.950 . 2.950 2.409 2.395 2.431 . 0 0 "[ . 1 . 2]" 1
658 1 45 MET HA 1 45 MET ME 4.850 . 4.850 4.534 4.175 4.732 . 0 0 "[ . 1 . 2]" 1
659 1 45 MET H 1 45 MET QB 3.500 . 3.500 2.198 2.184 2.217 . 0 0 "[ . 1 . 2]" 1
660 1 45 MET H 1 45 MET HG3 4.470 . 4.470 4.423 4.408 4.444 . 0 0 "[ . 1 . 2]" 1
661 1 45 MET H 1 46 ILE HA 5.500 . 5.500 5.214 5.198 5.231 . 0 0 "[ . 1 . 2]" 1
662 1 45 MET QB 1 45 MET ME 3.870 . 3.870 2.969 1.948 3.556 . 0 0 "[ . 1 . 2]" 1
663 1 45 MET QB 1 46 ILE H 4.020 . 4.020 2.493 2.448 2.529 . 0 0 "[ . 1 . 2]" 1
664 1 45 MET QB 1 49 ALA MB 5.340 . 5.340 4.766 4.595 4.929 . 0 0 "[ . 1 . 2]" 1
665 1 45 MET HB3 1 45 MET ME 4.710 . 4.710 3.263 2.092 4.033 . 0 0 "[ . 1 . 2]" 1
666 1 45 MET HB3 1 46 ILE H 4.660 . 4.660 2.525 2.478 2.562 . 0 0 "[ . 1 . 2]" 1
667 1 45 MET HB2 1 45 MET ME 4.710 . 4.710 3.457 2.239 4.009 . 0 0 "[ . 1 . 2]" 1
668 1 45 MET HB2 1 46 ILE H 4.660 . 4.660 3.861 3.827 3.893 . 0 0 "[ . 1 . 2]" 1
669 1 45 MET ME 1 46 ILE H 5.500 . 5.500 4.794 3.877 5.378 . 0 0 "[ . 1 . 2]" 1
670 1 45 MET ME 1 46 ILE MD 4.320 . 4.320 3.867 2.961 4.338 0.018 6 0 "[ . 1 . 2]" 1
671 1 45 MET HG3 1 46 ILE H 4.090 . 4.090 4.313 4.211 4.345 0.255 5 0 "[ . 1 . 2]" 1
672 1 45 MET HG3 1 46 ILE MD 5.500 . 5.500 4.878 3.702 5.515 0.015 17 0 "[ . 1 . 2]" 1
673 1 45 MET HG2 1 46 ILE H 4.330 . 4.330 3.498 3.396 3.632 . 0 0 "[ . 1 . 2]" 1
674 1 45 MET HG2 1 46 ILE MD 5.500 . 5.500 3.484 2.425 4.199 . 0 0 "[ . 1 . 2]" 1
675 1 45 MET HG2 1 46 ILE MG 5.500 . 5.500 5.375 5.257 5.561 0.061 8 0 "[ . 1 . 2]" 1
676 1 45 MET HG2 1 49 ALA MB 5.500 . 5.500 3.660 3.513 3.920 . 0 0 "[ . 1 . 2]" 1
677 1 45 MET HG2 1 57 ILE MD 5.480 . 5.480 4.904 4.226 5.471 . 0 0 "[ . 1 . 2]" 1
678 1 46 ILE HA 1 46 ILE MD 3.940 . 3.940 2.153 2.085 2.240 . 0 0 "[ . 1 . 2]" 1
679 1 46 ILE HA 1 46 ILE HG13 3.760 . 3.760 3.537 2.566 3.680 . 0 0 "[ . 1 . 2]" 1
680 1 46 ILE HA 1 46 ILE HG12 3.830 . 3.830 2.808 2.505 3.595 . 0 0 "[ . 1 . 2]" 1
681 1 46 ILE HA 1 46 ILE MG 3.500 . 3.500 2.585 2.496 2.755 . 0 0 "[ . 1 . 2]" 1
682 1 46 ILE HA 1 49 ALA MB 4.310 . 4.310 2.764 2.525 2.928 . 0 0 "[ . 1 . 2]" 1
683 1 46 ILE HA 1 57 ILE MD 3.700 . 3.700 2.643 2.250 3.182 . 0 0 "[ . 1 . 2]" 1
684 1 46 ILE HA 1 57 ILE QG 5.340 . 5.340 3.837 3.373 4.158 . 0 0 "[ . 1 . 2]" 1
685 1 46 ILE HB 1 47 ARG H 3.950 . 3.950 2.690 2.638 2.846 . 0 0 "[ . 1 . 2]" 1
686 1 46 ILE H 1 46 ILE HB 3.710 . 3.710 2.211 2.078 2.278 . 0 0 "[ . 1 . 2]" 1
687 1 46 ILE H 1 46 ILE MD 4.500 . 4.500 3.577 2.145 3.983 . 0 0 "[ . 1 . 2]" 1
688 1 46 ILE H 1 46 ILE QG 4.000 . 4.000 2.578 2.336 3.560 . 0 0 "[ . 1 . 2]" 1
689 1 46 ILE H 1 46 ILE MG 3.840 . 3.840 3.650 3.525 3.688 . 0 0 "[ . 1 . 2]" 1
690 1 46 ILE H 1 47 ARG H 4.260 . 4.260 2.681 2.644 2.740 . 0 0 "[ . 1 . 2]" 1
691 1 46 ILE MD 1 49 ALA H 5.500 . 5.500 4.936 4.721 5.217 . 0 0 "[ . 1 . 2]" 1
692 1 46 ILE MD 1 56 GLN HA 5.330 . 5.330 4.081 3.491 5.263 . 0 0 "[ . 1 . 2]" 1
693 1 46 ILE MD 1 57 ILE HB 4.820 . 4.820 4.167 3.575 4.896 0.076 8 0 "[ . 1 . 2]" 1
694 1 46 ILE MD 1 57 ILE QG 3.640 . 3.640 3.061 2.261 3.608 . 0 0 "[ . 1 . 2]" 1
695 1 46 ILE QG 1 57 ILE MD 4.180 . 4.180 3.810 2.937 4.215 0.035 14 0 "[ . 1 . 2]" 1
696 1 46 ILE MG 1 47 ARG HA 4.670 . 4.670 3.217 3.036 3.324 . 0 0 "[ . 1 . 2]" 1
697 1 46 ILE MG 1 47 ARG H 5.070 . 5.070 3.006 2.562 3.165 . 0 0 "[ . 1 . 2]" 1
698 1 46 ILE MG 1 49 ALA H 5.500 . 5.500 4.749 4.600 4.969 . 0 0 "[ . 1 . 2]" 1
699 1 46 ILE MG 1 50 ASP QB 5.340 . 5.340 3.248 2.652 3.771 . 0 0 "[ . 1 . 2]" 1
700 1 46 ILE MG 1 55 GLY H 5.500 . 5.500 4.710 3.879 5.110 . 0 0 "[ . 1 . 2]" 1
701 1 46 ILE MG 1 55 GLY QA 3.970 . 3.970 3.263 2.371 3.652 . 0 0 "[ . 1 . 2]" 1
702 1 46 ILE MG 1 55 GLY HA3 4.820 . 4.820 4.457 3.396 4.922 0.102 16 0 "[ . 1 . 2]" 1
703 1 46 ILE MG 1 55 GLY HA2 4.820 . 4.820 3.357 2.420 3.771 . 0 0 "[ . 1 . 2]" 1
704 1 46 ILE MG 1 56 GLN HA 4.170 . 4.170 3.981 3.658 4.271 0.101 5 0 "[ . 1 . 2]" 1
705 1 46 ILE MG 1 56 GLN H 5.190 . 5.190 4.709 4.177 5.114 . 0 0 "[ . 1 . 2]" 1
706 1 47 ARG HA 1 47 ARG QB 2.610 . 2.610 2.409 2.377 2.526 . 0 0 "[ . 1 . 2]" 1
707 1 47 ARG HA 1 47 ARG QD 4.560 . 4.560 3.471 2.276 4.176 . 0 0 "[ . 1 . 2]" 1
708 1 47 ARG HA 1 47 ARG HD3 5.330 . 5.330 4.133 2.360 4.771 . 0 0 "[ . 1 . 2]" 1
709 1 47 ARG HA 1 47 ARG HD2 5.330 . 5.330 3.916 2.304 4.737 . 0 0 "[ . 1 . 2]" 1
710 1 47 ARG HA 1 47 ARG HG3 3.800 . 3.800 2.747 2.328 3.720 . 0 0 "[ . 1 . 2]" 1
711 1 47 ARG HA 1 47 ARG HG2 3.800 . 3.800 2.928 2.375 3.705 . 0 0 "[ . 1 . 2]" 1
712 1 47 ARG HA 1 50 ASP H 4.770 . 4.770 3.333 2.937 3.535 . 0 0 "[ . 1 . 2]" 1
713 1 47 ARG HA 1 57 ILE MD 5.500 . 5.500 5.148 4.812 5.567 0.067 17 0 "[ . 1 . 2]" 1
714 1 47 ARG H 1 47 ARG QB 3.130 . 3.130 2.313 2.150 2.408 . 0 0 "[ . 1 . 2]" 1
715 1 47 ARG H 1 47 ARG QG 4.460 . 4.460 3.251 2.305 4.076 . 0 0 "[ . 1 . 2]" 1
716 1 47 ARG H 1 47 ARG HG3 5.230 . 5.230 3.602 2.333 4.469 . 0 0 "[ . 1 . 2]" 1
717 1 47 ARG H 1 47 ARG HG2 5.230 . 5.230 3.994 2.365 4.702 . 0 0 "[ . 1 . 2]" 1
718 1 47 ARG H 1 48 GLU H 4.250 . 4.250 2.516 2.464 2.600 . 0 0 "[ . 1 . 2]" 1
719 1 47 ARG QB 1 47 ARG QD 2.690 . 2.690 2.246 2.117 2.585 . 0 0 "[ . 1 . 2]" 1
720 1 47 ARG QB 1 48 GLU H 3.510 . 3.510 2.691 2.639 2.809 . 0 0 "[ . 1 . 2]" 1
721 1 47 ARG HB3 1 48 GLU H 4.290 . 4.290 3.190 2.695 3.730 . 0 0 "[ . 1 . 2]" 1
722 1 47 ARG HB2 1 48 GLU H 4.290 . 4.290 3.327 2.717 3.925 . 0 0 "[ . 1 . 2]" 1
723 1 48 GLU HA 1 48 GLU QG 2.790 . 2.790 2.564 2.292 2.838 0.048 9 0 "[ . 1 . 2]" 1
724 1 48 GLU HA 1 50 ASP H 5.180 . 5.180 4.012 3.894 4.213 . 0 0 "[ . 1 . 2]" 1
725 1 48 GLU H 1 48 GLU QB 2.940 . 2.940 2.256 2.234 2.278 . 0 0 "[ . 1 . 2]" 1
726 1 48 GLU H 1 48 GLU HB3 3.490 . 3.490 2.679 2.482 3.555 0.065 18 0 "[ . 1 . 2]" 1
727 1 48 GLU H 1 48 GLU HB2 3.490 . 3.490 2.503 2.275 2.610 . 0 0 "[ . 1 . 2]" 1
728 1 48 GLU H 1 48 GLU QG 4.480 . 4.480 3.777 2.502 4.050 . 0 0 "[ . 1 . 2]" 1
729 1 48 GLU H 1 48 GLU HG3 5.210 . 5.210 4.287 2.538 4.647 . 0 0 "[ . 1 . 2]" 1
730 1 48 GLU H 1 48 GLU HG2 5.210 . 5.210 4.294 2.575 4.659 . 0 0 "[ . 1 . 2]" 1
731 1 48 GLU H 1 49 ALA HA 5.500 . 5.500 5.201 5.168 5.245 . 0 0 "[ . 1 . 2]" 1
732 1 48 GLU H 1 49 ALA H 3.750 . 3.750 2.520 2.454 2.563 . 0 0 "[ . 1 . 2]" 1
733 1 48 GLU H 1 49 ALA MB 4.700 . 4.700 4.277 4.210 4.345 . 0 0 "[ . 1 . 2]" 1
734 1 48 GLU HB3 1 49 ALA H 5.280 . 5.280 2.750 2.448 3.520 . 0 0 "[ . 1 . 2]" 1
735 1 48 GLU HB2 1 49 ALA H 5.280 . 5.280 3.679 2.648 3.932 . 0 0 "[ . 1 . 2]" 1
736 1 48 GLU QG 1 49 ALA H 5.340 . 5.340 3.794 3.516 4.352 . 0 0 "[ . 1 . 2]" 1
737 1 49 ALA HA 1 65 VAL HB 4.770 . 4.770 4.223 3.045 5.056 0.286 17 0 "[ . 1 . 2]" 1
738 1 49 ALA HA 1 65 VAL QG 3.620 . 3.620 2.528 2.143 3.328 . 0 0 "[ . 1 . 2]" 1
739 1 49 ALA HA 1 65 VAL MG1 4.440 . 4.440 3.466 2.185 4.402 . 0 0 "[ . 1 . 2]" 1
740 1 49 ALA HA 1 65 VAL MG2 4.440 . 4.440 2.976 2.177 4.467 0.027 2 0 "[ . 1 . 2]" 1
741 1 49 ALA H 1 49 ALA MB 3.390 . 3.390 2.259 2.157 2.354 . 0 0 "[ . 1 . 2]" 1
742 1 49 ALA H 1 50 ASP H 3.680 . 3.680 2.419 2.303 2.552 . 0 0 "[ . 1 . 2]" 1
743 1 49 ALA H 1 50 ASP QB 5.340 . 5.340 4.274 4.117 4.543 . 0 0 "[ . 1 . 2]" 1
744 1 49 ALA H 1 65 VAL QG 5.440 . 5.440 4.215 3.969 4.586 . 0 0 "[ . 1 . 2]" 1
745 1 49 ALA MB 1 50 ASP H 4.940 . 4.940 3.053 2.890 3.193 . 0 0 "[ . 1 . 2]" 1
746 1 49 ALA MB 1 57 ILE HA 5.500 . 5.500 4.575 4.166 5.040 . 0 0 "[ . 1 . 2]" 1
747 1 49 ALA MB 1 57 ILE MD 3.250 . 3.250 2.416 1.962 3.166 . 0 0 "[ . 1 . 2]" 1
748 1 49 ALA MB 1 62 PHE HA 5.500 . 5.500 4.307 4.058 4.590 . 0 0 "[ . 1 . 2]" 1
749 1 49 ALA MB 1 65 VAL HB 4.090 . 4.090 3.341 2.657 3.714 . 0 0 "[ . 1 . 2]" 1
750 1 49 ALA MB 1 65 VAL QG 3.210 . 3.210 2.034 1.841 2.282 . 0 0 "[ . 1 . 2]" 1
751 1 49 ALA MB 1 65 VAL MG1 3.670 . 3.670 2.357 2.014 2.731 . 0 0 "[ . 1 . 2]" 1
752 1 49 ALA MB 1 65 VAL MG2 3.670 . 3.670 2.335 1.935 2.990 . 0 0 "[ . 1 . 2]" 1
753 1 50 ASP HA 1 51 VAL H 3.380 . 3.380 2.148 1.951 2.299 . 0 0 "[ . 1 . 2]" 1
754 1 50 ASP HA 1 51 VAL QG 4.800 . 4.800 3.395 2.755 4.132 . 0 0 "[ . 1 . 2]" 1
755 1 50 ASP HA 1 56 GLN H 5.500 . 5.500 5.449 5.048 5.569 0.069 13 0 "[ . 1 . 2]" 1
756 1 50 ASP HA 1 57 ILE MD 4.940 . 4.940 3.707 2.944 4.814 . 0 0 "[ . 1 . 2]" 1
757 1 50 ASP HA 1 57 ILE MG 5.500 . 5.500 4.981 4.251 5.696 0.196 2 0 "[ . 1 . 2]" 1
758 1 50 ASP QB 1 53 GLY HA3 5.000 . 5.000 4.592 3.677 5.267 0.267 3 0 "[ . 1 . 2]" 1
759 1 50 ASP QB 1 53 GLY HA2 5.000 . 5.000 3.053 2.215 3.698 . 0 0 "[ . 1 . 2]" 1
760 1 50 ASP H 1 50 ASP QB 3.360 . 3.360 2.338 2.170 2.466 . 0 0 "[ . 1 . 2]" 1
761 1 50 ASP H 1 65 VAL QG 5.440 . 5.440 4.968 4.649 5.545 0.105 15 0 "[ . 1 . 2]" 1
762 1 50 ASP QB 1 57 ILE MD 4.480 . 4.480 3.349 2.150 4.450 . 0 0 "[ . 1 . 2]" 1
763 1 51 VAL HA 1 51 VAL MG1 3.320 . 3.320 2.664 2.145 3.194 . 0 0 "[ . 1 . 2]" 1
764 1 51 VAL HA 1 51 VAL MG2 3.320 . 3.320 2.728 2.047 3.348 0.028 12 0 "[ . 1 . 2]" 1
765 1 51 VAL HA 1 53 GLY HA3 5.500 . 5.500 5.361 5.020 5.730 0.230 14 0 "[ . 1 . 2]" 1
766 1 51 VAL HA 1 53 GLY HA2 5.500 . 5.500 4.789 4.367 5.128 . 0 0 "[ . 1 . 2]" 1
767 1 51 VAL HA 1 53 GLY H 3.200 . 3.200 3.397 2.890 3.649 0.449 14 0 "[ . 1 . 2]" 1
768 1 51 VAL HB 1 52 ASP H 4.020 . 4.020 3.830 2.773 4.572 0.552 18 1 "[ . 1 . + 2]" 1
769 1 51 VAL H 1 51 VAL HB 3.720 . 3.720 3.211 2.319 3.922 0.202 12 0 "[ . 1 . 2]" 1
770 1 51 VAL H 1 51 VAL QG 3.150 . 3.150 2.137 1.564 2.929 . 0 0 "[ . 1 . 2]" 1
771 1 51 VAL H 1 51 VAL MG1 3.790 . 3.790 2.842 1.870 3.892 0.102 7 0 "[ . 1 . 2]" 1
772 1 51 VAL H 1 51 VAL MG2 3.790 . 3.790 2.860 1.566 3.884 0.094 17 0 "[ . 1 . 2]" 1
773 1 51 VAL H 1 52 ASP H 3.330 . 3.330 1.817 1.583 2.199 . 0 0 "[ . 1 . 2]" 1
774 1 51 VAL H 1 53 GLY HA3 5.500 . 5.500 5.870 5.695 6.068 0.568 7 1 "[ . + 1 . 2]" 1
775 1 51 VAL H 1 53 GLY HA2 5.500 . 5.500 4.954 4.760 5.156 . 0 0 "[ . 1 . 2]" 1
776 1 51 VAL H 1 53 GLY H 5.500 . 5.500 3.100 2.908 3.304 . 0 0 "[ . 1 . 2]" 1
777 1 51 VAL H 1 61 GLU QG 4.230 . 4.230 4.082 3.531 4.453 0.223 6 0 "[ . 1 . 2]" 1
778 1 51 VAL QG 1 52 ASP HA 4.720 . 4.720 3.611 3.210 4.336 . 0 0 "[ . 1 . 2]" 1
779 1 51 VAL QG 1 52 ASP H 4.810 . 4.810 2.782 2.171 3.485 . 0 0 "[ . 1 . 2]" 1
780 1 51 VAL QG 1 52 ASP QB 5.040 . 5.040 3.848 2.970 4.708 . 0 0 "[ . 1 . 2]" 1
781 1 51 VAL QG 1 61 GLU QG 3.580 . 3.580 3.257 2.214 3.811 0.231 19 0 "[ . 1 . 2]" 1
782 1 52 ASP H 1 53 GLY H 3.250 . 3.250 2.064 1.903 2.227 . 0 0 "[ . 1 . 2]" 1
783 1 53 GLY H 1 54 ASP H 3.800 . 3.800 2.813 2.606 3.034 . 0 0 "[ . 1 . 2]" 1
784 1 54 ASP HA 1 56 GLN H 5.500 . 5.500 4.327 4.002 4.459 . 0 0 "[ . 1 . 2]" 1
785 1 54 ASP H 1 55 GLY H 4.010 . 4.010 2.568 1.685 2.915 . 0 0 "[ . 1 . 2]" 1
786 1 54 ASP H 1 56 GLN H 5.500 . 5.500 4.025 3.533 4.271 . 0 0 "[ . 1 . 2]" 1
787 1 54 ASP QB 1 55 GLY QA 4.820 . 4.820 4.342 3.983 4.580 . 0 0 "[ . 1 . 2]" 1
788 1 54 ASP HB3 1 55 GLY H 5.500 . 5.500 4.080 3.815 4.556 . 0 0 "[ . 1 . 2]" 1
789 1 54 ASP HB2 1 55 GLY H 5.500 . 5.500 3.742 2.804 4.380 . 0 0 "[ . 1 . 2]" 1
790 1 55 GLY H 1 56 GLN H 3.570 . 3.570 2.370 2.236 2.737 . 0 0 "[ . 1 . 2]" 1
791 1 55 GLY H 1 56 GLN QG 5.340 . 5.340 4.929 3.916 5.230 . 0 0 "[ . 1 . 2]" 1
792 1 56 GLN HA 1 56 GLN HG3 4.000 . 4.000 2.808 2.548 3.715 . 0 0 "[ . 1 . 2]" 1
793 1 56 GLN HA 1 56 GLN HG2 4.000 . 4.000 2.839 2.455 3.803 . 0 0 "[ . 1 . 2]" 1
794 1 56 GLN HA 1 57 ILE H 3.430 . 3.430 2.313 2.168 2.659 . 0 0 "[ . 1 . 2]" 1
795 1 56 GLN HA 1 57 ILE MG 5.500 . 5.500 5.407 5.346 5.519 0.019 16 0 "[ . 1 . 2]" 1
796 1 56 GLN H 1 56 GLN QG 3.240 . 3.240 3.208 2.238 3.435 0.195 3 0 "[ . 1 . 2]" 1
797 1 56 GLN H 1 57 ILE H 5.090 . 5.090 4.396 4.338 4.420 . 0 0 "[ . 1 . 2]" 1
798 1 56 GLN H 1 57 ILE MD 5.500 . 5.500 4.048 3.741 5.839 0.339 1 0 "[ . 1 . 2]" 1
799 1 56 GLN QB 1 56 GLN QG 2.290 . 2.290 2.072 2.013 2.098 . 0 0 "[ . 1 . 2]" 1
800 1 56 GLN QB 1 57 ILE H 4.180 . 4.180 2.638 1.960 3.112 . 0 0 "[ . 1 . 2]" 1
801 1 56 GLN QG 1 57 ILE H 4.500 . 4.500 3.825 3.598 4.358 . 0 0 "[ . 1 . 2]" 1
802 1 57 ILE HA 1 57 ILE MD 4.060 . 4.060 2.611 2.149 3.867 . 0 0 "[ . 1 . 2]" 1
803 1 57 ILE HA 1 57 ILE QG 3.600 . 3.600 2.598 2.281 3.169 . 0 0 "[ . 1 . 2]" 1
804 1 57 ILE HA 1 57 ILE MG 3.590 . 3.590 2.432 2.181 2.649 . 0 0 "[ . 1 . 2]" 1
805 1 57 ILE HA 1 58 ASN H 3.370 . 3.370 2.139 2.123 2.169 . 0 0 "[ . 1 . 2]" 1
806 1 57 ILE HA 1 61 GLU HB3 4.720 . 4.720 3.039 2.647 3.471 . 0 0 "[ . 1 . 2]" 1
807 1 57 ILE HB 1 58 ASN H 4.680 . 4.680 4.363 4.182 4.530 . 0 0 "[ . 1 . 2]" 1
808 1 57 ILE H 1 57 ILE MD 4.690 . 4.690 2.557 1.837 3.599 . 0 0 "[ . 1 . 2]" 1
809 1 57 ILE H 1 57 ILE QG 4.390 . 4.390 3.138 2.114 3.794 . 0 0 "[ . 1 . 2]" 1
810 1 57 ILE H 1 58 ASN H 5.500 . 5.500 4.299 4.243 4.353 . 0 0 "[ . 1 . 2]" 1
811 1 57 ILE MD 1 58 ASN H 5.500 . 5.500 4.370 3.883 5.339 . 0 0 "[ . 1 . 2]" 1
812 1 57 ILE MD 1 62 PHE QD 5.430 . 5.430 4.883 3.138 5.548 0.118 12 0 "[ . 1 . 2]" 1
813 1 57 ILE QG 1 58 ASN H 5.340 . 5.340 4.332 3.932 4.894 . 0 0 "[ . 1 . 2]" 1
814 1 57 ILE QG 1 62 PHE HA 5.340 . 5.340 4.382 3.886 5.144 . 0 0 "[ . 1 . 2]" 1
815 1 57 ILE MG 1 58 ASN HA 5.500 . 5.500 4.120 3.858 4.549 . 0 0 "[ . 1 . 2]" 1
816 1 57 ILE MG 1 58 ASN H 3.890 . 3.890 3.002 2.748 3.136 . 0 0 "[ . 1 . 2]" 1
817 1 57 ILE MG 1 61 GLU H 4.730 . 4.730 4.046 3.803 4.258 . 0 0 "[ . 1 . 2]" 1
818 1 57 ILE MG 1 61 GLU HB3 3.940 . 3.940 2.287 2.104 2.452 . 0 0 "[ . 1 . 2]" 1
819 1 57 ILE MG 1 61 GLU HB2 4.090 . 4.090 3.796 3.549 3.993 . 0 0 "[ . 1 . 2]" 1
820 1 57 ILE MG 1 62 PHE HA 3.430 . 3.430 2.409 2.160 2.724 . 0 0 "[ . 1 . 2]" 1
821 1 57 ILE MG 1 62 PHE H 3.710 . 3.710 2.584 2.326 2.823 . 0 0 "[ . 1 . 2]" 1
822 1 57 ILE MG 1 62 PHE QB 4.200 . 4.200 2.153 2.014 2.359 . 0 0 "[ . 1 . 2]" 1
823 1 57 ILE MG 1 62 PHE QD 3.120 . 3.120 2.307 2.041 2.653 . 0 0 "[ . 1 . 2]" 1
824 1 58 ASN HA 1 59 TYR QB 5.340 . 5.340 4.360 4.321 4.409 . 0 0 "[ . 1 . 2]" 1
825 1 58 ASN HA 1 60 GLU H 5.410 . 5.410 4.687 4.511 5.071 . 0 0 "[ . 1 . 2]" 1
826 1 58 ASN HA 1 61 GLU H 5.110 . 5.110 4.713 4.546 4.901 . 0 0 "[ . 1 . 2]" 1
827 1 58 ASN HA 1 61 GLU HB3 5.090 . 5.090 4.679 4.575 4.841 . 0 0 "[ . 1 . 2]" 1
828 1 58 ASN H 1 61 GLU H 4.710 . 4.710 3.707 3.511 3.896 . 0 0 "[ . 1 . 2]" 1
829 1 58 ASN H 1 61 GLU HB3 4.520 . 4.520 2.410 2.190 2.633 . 0 0 "[ . 1 . 2]" 1
830 1 58 ASN H 1 62 PHE H 5.310 . 5.310 4.133 3.817 4.293 . 0 0 "[ . 1 . 2]" 1
831 1 58 ASN QB 1 59 TYR H 3.650 . 3.650 2.938 2.579 3.384 . 0 0 "[ . 1 . 2]" 1
832 1 58 ASN HB3 1 59 TYR H 4.240 . 4.240 3.347 2.659 3.684 . 0 0 "[ . 1 . 2]" 1
833 1 58 ASN HB2 1 59 TYR H 4.240 . 4.240 3.432 2.654 4.016 . 0 0 "[ . 1 . 2]" 1
834 1 59 TYR HA 1 59 TYR QD 3.410 . 3.410 2.346 2.308 2.401 . 0 0 "[ . 1 . 2]" 1
835 1 59 TYR HA 1 59 TYR QE 4.180 . 4.180 4.392 4.364 4.448 0.268 13 0 "[ . 1 . 2]" 1
836 1 59 TYR H 1 59 TYR HB3 3.750 . 3.750 2.532 2.476 2.576 . 0 0 "[ . 1 . 2]" 1
837 1 59 TYR H 1 59 TYR HB2 3.750 . 3.750 2.592 2.555 2.636 . 0 0 "[ . 1 . 2]" 1
838 1 59 TYR H 1 59 TYR QD 4.970 . 4.970 4.173 4.167 4.185 . 0 0 "[ . 1 . 2]" 1
839 1 59 TYR H 1 60 GLU H 5.140 . 5.140 2.948 2.856 3.097 . 0 0 "[ . 1 . 2]" 1
840 1 59 TYR QB 1 60 GLU H 3.800 . 3.800 2.420 2.096 2.536 . 0 0 "[ . 1 . 2]" 1
841 1 59 TYR QD 1 60 GLU HA 4.710 . 4.710 3.519 3.269 3.676 . 0 0 "[ . 1 . 2]" 1
842 1 59 TYR QD 1 60 GLU H 5.380 . 5.380 3.303 2.868 3.504 . 0 0 "[ . 1 . 2]" 1
843 1 59 TYR QD 1 62 PHE QB 4.270 . 4.270 3.264 2.965 3.567 . 0 0 "[ . 1 . 2]" 1
844 1 59 TYR QD 1 63 VAL QG 4.160 . 4.160 3.046 2.889 3.209 . 0 0 "[ . 1 . 2]" 1
845 1 59 TYR QD 1 63 VAL MG1 5.500 . 5.500 5.092 4.895 5.264 . 0 0 "[ . 1 . 2]" 1
846 1 59 TYR QD 1 63 VAL MG2 5.500 . 5.500 3.070 2.910 3.237 . 0 0 "[ . 1 . 2]" 1
847 1 59 TYR QE 1 60 GLU HA 5.500 . 5.500 4.344 4.138 4.499 . 0 0 "[ . 1 . 2]" 1
848 1 59 TYR QE 1 63 VAL QG 3.640 . 3.640 2.490 2.373 2.678 . 0 0 "[ . 1 . 2]" 1
849 1 59 TYR QE 1 63 VAL MG1 5.080 . 5.080 4.103 3.968 4.363 . 0 0 "[ . 1 . 2]" 1
850 1 59 TYR QE 1 63 VAL MG2 5.080 . 5.080 2.512 2.392 2.703 . 0 0 "[ . 1 . 2]" 1
851 1 60 GLU HA 1 60 GLU QG 3.720 . 3.720 3.302 3.289 3.430 . 0 0 "[ . 1 . 2]" 1
852 1 60 GLU HA 1 63 VAL HB 3.600 . 3.600 2.673 2.451 2.901 . 0 0 "[ . 1 . 2]" 1
853 1 60 GLU HA 1 63 VAL H 3.870 . 3.870 3.456 3.340 3.600 . 0 0 "[ . 1 . 2]" 1
854 1 60 GLU HA 1 63 VAL QG 3.680 . 3.680 2.707 2.511 3.048 . 0 0 "[ . 1 . 2]" 1
855 1 60 GLU HA 1 63 VAL MG1 4.420 . 4.420 3.949 3.753 4.086 . 0 0 "[ . 1 . 2]" 1
856 1 60 GLU HA 1 63 VAL MG2 4.420 . 4.420 2.761 2.537 3.154 . 0 0 "[ . 1 . 2]" 1
857 1 60 GLU H 1 60 GLU QB 3.070 . 3.070 2.481 2.367 2.718 . 0 0 "[ . 1 . 2]" 1
858 1 60 GLU H 1 60 GLU QG 3.380 . 3.380 2.054 1.745 2.359 . 0 0 "[ . 1 . 2]" 1
859 1 60 GLU H 1 60 GLU HG3 3.900 . 3.900 3.409 2.907 3.703 . 0 0 "[ . 1 . 2]" 1
860 1 60 GLU H 1 60 GLU HG2 3.900 . 3.900 2.072 1.758 2.402 . 0 0 "[ . 1 . 2]" 1
861 1 60 GLU H 1 61 GLU H 3.730 . 3.730 2.840 2.724 3.035 . 0 0 "[ . 1 . 2]" 1
862 1 60 GLU H 1 63 VAL QG 4.650 . 4.650 4.167 3.825 4.398 . 0 0 "[ . 1 . 2]" 1
863 1 60 GLU HB3 1 61 GLU H 4.310 . 4.310 3.879 3.707 4.034 . 0 0 "[ . 1 . 2]" 1
864 1 60 GLU HB2 1 61 GLU H 4.310 . 4.310 3.605 3.320 3.748 . 0 0 "[ . 1 . 2]" 1
865 1 60 GLU QG 1 61 GLU H 3.830 . 3.830 1.863 1.725 1.952 . 0 0 "[ . 1 . 2]" 1
866 1 60 GLU QG 1 61 GLU HB3 3.810 . 3.810 3.820 3.468 3.957 0.147 19 0 "[ . 1 . 2]" 1
867 1 60 GLU QG 1 62 PHE H 5.100 . 5.100 4.050 3.888 4.173 . 0 0 "[ . 1 . 2]" 1
868 1 61 GLU HA 1 61 GLU HB2 3.010 . 3.010 2.520 2.456 2.557 . 0 0 "[ . 1 . 2]" 1
869 1 61 GLU HA 1 61 GLU QG 2.830 . 2.830 2.286 2.249 2.384 . 0 0 "[ . 1 . 2]" 1
870 1 61 GLU HA 1 61 GLU HG3 3.260 . 3.260 2.363 2.310 2.468 . 0 0 "[ . 1 . 2]" 1
871 1 61 GLU HA 1 61 GLU HG2 3.260 . 3.260 3.045 2.941 3.151 . 0 0 "[ . 1 . 2]" 1
872 1 61 GLU HA 1 63 VAL QG 5.440 . 5.440 5.056 4.832 5.135 . 0 0 "[ . 1 . 2]" 1
873 1 61 GLU HA 1 64 LYS H 3.840 . 3.840 3.201 2.990 3.373 . 0 0 "[ . 1 . 2]" 1
874 1 61 GLU HA 1 64 LYS QB 3.520 . 3.520 2.548 2.431 2.712 . 0 0 "[ . 1 . 2]" 1
875 1 61 GLU HA 1 65 VAL H 4.240 . 4.240 4.144 3.957 4.312 0.072 7 0 "[ . 1 . 2]" 1
876 1 61 GLU H 1 61 GLU HB3 3.370 . 3.370 2.604 2.427 2.670 . 0 0 "[ . 1 . 2]" 1
877 1 61 GLU H 1 61 GLU HB2 3.520 . 3.520 2.411 2.339 2.497 . 0 0 "[ . 1 . 2]" 1
878 1 61 GLU H 1 61 GLU QG 4.190 . 4.190 3.936 3.918 3.952 . 0 0 "[ . 1 . 2]" 1
879 1 61 GLU H 1 63 VAL H 4.090 . 4.090 3.996 3.811 4.096 0.006 10 0 "[ . 1 . 2]" 1
880 1 61 GLU H 1 63 VAL QG 5.440 . 5.440 4.728 4.469 4.894 . 0 0 "[ . 1 . 2]" 1
881 1 61 GLU HB3 1 62 PHE H 4.180 . 4.180 2.610 2.506 2.696 . 0 0 "[ . 1 . 2]" 1
882 1 61 GLU HB2 1 62 PHE HA 5.500 . 5.500 5.597 5.578 5.621 0.121 3 0 "[ . 1 . 2]" 1
883 1 61 GLU QG 1 62 PHE H 5.040 . 5.040 3.815 3.641 3.944 . 0 0 "[ . 1 . 2]" 1
884 1 61 GLU QG 1 64 LYS QB 4.620 . 4.620 3.269 3.021 3.497 . 0 0 "[ . 1 . 2]" 1
885 1 61 GLU QG 1 65 VAL QG 5.210 . 5.210 2.911 2.313 3.650 . 0 0 "[ . 1 . 2]" 1
886 1 62 PHE HA 1 62 PHE QD 3.010 . 3.010 2.362 2.253 2.546 . 0 0 "[ . 1 . 2]" 1
887 1 62 PHE HA 1 62 PHE QE 4.660 . 4.660 4.368 4.275 4.523 . 0 0 "[ . 1 . 2]" 1
888 1 62 PHE HA 1 65 VAL QG 3.550 . 3.550 2.568 1.994 3.209 . 0 0 "[ . 1 . 2]" 1
889 1 62 PHE HA 1 65 VAL MG1 4.560 . 4.560 3.391 1.996 4.338 . 0 0 "[ . 1 . 2]" 1
890 1 62 PHE HA 1 65 VAL MG2 4.560 . 4.560 3.485 2.133 4.621 0.061 18 0 "[ . 1 . 2]" 1
891 1 62 PHE H 1 62 PHE QB 3.230 . 3.230 2.251 2.203 2.280 . 0 0 "[ . 1 . 2]" 1
892 1 62 PHE H 1 62 PHE HB3 3.720 . 3.720 2.619 2.382 2.817 . 0 0 "[ . 1 . 2]" 1
893 1 62 PHE H 1 62 PHE HB2 3.720 . 3.720 2.476 2.312 2.659 . 0 0 "[ . 1 . 2]" 1
894 1 62 PHE H 1 62 PHE QD 4.670 . 4.670 4.148 4.019 4.201 . 0 0 "[ . 1 . 2]" 1
895 1 62 PHE H 1 63 VAL H 3.230 . 3.230 2.568 2.529 2.605 . 0 0 "[ . 1 . 2]" 1
896 1 62 PHE H 1 63 VAL QG 5.440 . 5.440 4.037 3.872 4.129 . 0 0 "[ . 1 . 2]" 1
897 1 62 PHE H 1 64 LYS QB 5.250 . 5.250 4.852 4.707 5.028 . 0 0 "[ . 1 . 2]" 1
898 1 62 PHE QB 1 63 VAL H 3.240 . 3.240 2.529 2.419 2.858 . 0 0 "[ . 1 . 2]" 1
899 1 62 PHE HB3 1 63 VAL H 3.820 . 3.820 2.572 2.454 2.947 . 0 0 "[ . 1 . 2]" 1
900 1 62 PHE HB2 1 63 VAL H 3.820 . 3.820 3.764 3.592 3.907 0.087 9 0 "[ . 1 . 2]" 1
901 1 62 PHE QD 1 63 VAL HA 5.500 . 5.500 3.946 3.617 4.166 . 0 0 "[ . 1 . 2]" 1
902 1 62 PHE QD 1 63 VAL H 5.260 . 5.260 3.923 3.547 4.364 . 0 0 "[ . 1 . 2]" 1
903 1 62 PHE QD 1 63 VAL QG 4.620 . 4.620 3.337 2.664 3.860 . 0 0 "[ . 1 . 2]" 1
904 1 62 PHE QD 1 63 VAL MG1 5.500 . 5.500 5.333 4.895 5.643 0.143 1 0 "[ . 1 . 2]" 1
905 1 62 PHE QD 1 63 VAL MG2 5.500 . 5.500 3.375 2.676 3.930 . 0 0 "[ . 1 . 2]" 1
906 1 62 PHE QD 1 65 VAL QG 3.700 . 3.700 3.370 2.732 3.903 0.203 6 0 "[ . 1 . 2]" 1
907 1 62 PHE QD 1 65 VAL MG1 5.150 . 5.150 3.977 2.753 5.281 0.131 7 0 "[ . 1 . 2]" 1
908 1 62 PHE QD 1 65 VAL MG2 5.150 . 5.150 4.240 3.104 4.941 . 0 0 "[ . 1 . 2]" 1
909 1 62 PHE QD 1 66 MET HB2 4.410 . 4.410 3.883 3.218 4.140 . 0 0 "[ . 1 . 2]" 1
910 1 62 PHE QD 1 66 MET ME 5.370 . 5.370 4.180 3.759 5.145 . 0 0 "[ . 1 . 2]" 1
911 1 62 PHE QE 1 65 VAL QG 5.110 . 5.110 4.002 3.627 4.405 . 0 0 "[ . 1 . 2]" 1
912 1 62 PHE QE 1 66 MET HA 5.500 . 5.500 5.257 4.361 5.675 0.175 3 0 "[ . 1 . 2]" 1
913 1 62 PHE QE 1 66 MET HB2 4.460 . 4.460 3.857 3.091 4.769 0.309 7 0 "[ . 1 . 2]" 1
914 1 62 PHE QE 1 66 MET ME 3.340 . 3.340 2.840 2.313 3.643 0.303 12 0 "[ . 1 . 2]" 1
915 1 63 VAL HA 1 63 VAL QG 2.990 . 2.990 2.106 2.055 2.149 . 0 0 "[ . 1 . 2]" 1
916 1 63 VAL H 1 63 VAL HB 3.360 . 3.360 2.401 2.352 2.487 . 0 0 "[ . 1 . 2]" 1
917 1 63 VAL H 1 63 VAL QG 3.170 . 3.170 2.231 2.112 2.307 . 0 0 "[ . 1 . 2]" 1
918 1 63 VAL H 1 63 VAL MG1 3.830 . 3.830 3.725 3.711 3.748 . 0 0 "[ . 1 . 2]" 1
919 1 63 VAL H 1 63 VAL MG2 3.830 . 3.830 2.249 2.124 2.329 . 0 0 "[ . 1 . 2]" 1
920 1 63 VAL H 1 64 LYS H 3.520 . 3.520 2.633 2.424 2.740 . 0 0 "[ . 1 . 2]" 1
921 1 63 VAL QG 1 64 LYS H 3.830 . 3.830 3.154 3.034 3.252 . 0 0 "[ . 1 . 2]" 1
922 1 63 VAL MG1 1 64 LYS H 4.450 . 4.450 3.331 3.154 3.502 . 0 0 "[ . 1 . 2]" 1
923 1 63 VAL MG2 1 64 LYS H 4.450 . 4.450 3.912 3.843 3.988 . 0 0 "[ . 1 . 2]" 1
924 1 64 LYS H 1 64 LYS QB 3.120 . 3.120 2.262 2.085 2.408 . 0 0 "[ . 1 . 2]" 1
925 1 64 LYS H 1 64 LYS QG 4.780 . 4.780 3.163 2.170 4.039 . 0 0 "[ . 1 . 2]" 1
926 1 64 LYS H 1 64 LYS HG3 5.500 . 5.500 3.575 2.195 4.567 . 0 0 "[ . 1 . 2]" 1
927 1 64 LYS H 1 64 LYS HG2 5.500 . 5.500 3.824 2.220 4.620 . 0 0 "[ . 1 . 2]" 1
928 1 64 LYS QB 1 65 VAL H 3.390 . 3.390 2.448 2.341 2.625 . 0 0 "[ . 1 . 2]" 1
929 1 64 LYS QG 1 65 VAL H 4.820 . 4.820 3.979 3.534 4.497 . 0 0 "[ . 1 . 2]" 1
930 1 64 LYS HG3 1 65 VAL H 5.500 . 5.500 4.586 3.773 4.991 . 0 0 "[ . 1 . 2]" 1
931 1 64 LYS HG2 1 65 VAL H 5.500 . 5.500 4.496 3.661 5.109 . 0 0 "[ . 1 . 2]" 1
932 1 65 VAL HA 1 65 VAL QG 2.840 . 2.840 2.196 2.098 2.318 . 0 0 "[ . 1 . 2]" 1
933 1 65 VAL HA 1 65 VAL MG1 3.410 . 3.410 2.629 2.195 3.185 . 0 0 "[ . 1 . 2]" 1
934 1 65 VAL HA 1 65 VAL MG2 3.410 . 3.410 2.531 2.319 3.196 . 0 0 "[ . 1 . 2]" 1
935 1 65 VAL HA 1 68 ALA H 5.260 . 5.260 3.695 3.525 4.053 . 0 0 "[ . 1 . 2]" 1
936 1 65 VAL HA 1 68 ALA MB 5.100 . 5.100 3.110 2.503 4.228 . 0 0 "[ . 1 . 2]" 1
937 1 49 ALA MB 1 65 VAL H 4.540 . 4.540 4.831 4.681 5.026 0.486 16 0 "[ . 1 . 2]" 1
938 1 65 VAL H 1 65 VAL HB 3.760 . 3.760 2.717 2.376 3.598 . 0 0 "[ . 1 . 2]" 1
939 1 65 VAL H 1 65 VAL QG 3.020 . 3.020 1.930 1.697 2.218 . 0 0 "[ . 1 . 2]" 1
940 1 65 VAL H 1 65 VAL MG1 3.810 . 3.810 2.777 1.755 3.729 . 0 0 "[ . 1 . 2]" 1
941 1 65 VAL H 1 65 VAL MG2 3.810 . 3.810 2.630 1.760 3.750 . 0 0 "[ . 1 . 2]" 1
942 1 65 VAL H 1 66 MET H 3.840 . 3.840 2.595 2.534 2.657 . 0 0 "[ . 1 . 2]" 1
943 1 65 VAL QG 1 66 MET HA 4.000 . 4.000 3.209 2.874 3.803 . 0 0 "[ . 1 . 2]" 1
944 1 65 VAL QG 1 66 MET H 3.950 . 3.950 2.442 1.693 3.178 . 0 0 "[ . 1 . 2]" 1
945 1 65 VAL QG 1 66 MET ME 3.870 . 3.870 3.583 2.246 4.063 0.193 8 0 "[ . 1 . 2]" 1
946 1 65 VAL QG 1 67 MET H 5.440 . 5.440 4.264 3.825 4.685 . 0 0 "[ . 1 . 2]" 1
947 1 65 VAL QG 1 69 LYS H 5.440 . 5.440 4.578 3.425 5.815 0.375 7 0 "[ . 1 . 2]" 1
948 1 66 MET HA 1 66 MET ME 4.000 . 4.000 2.905 2.297 3.551 . 0 0 "[ . 1 . 2]" 1
949 1 66 MET H 1 66 MET HB2 3.670 . 3.670 2.419 2.130 2.610 . 0 0 "[ . 1 . 2]" 1
950 1 66 MET H 1 66 MET HB3 3.770 . 3.770 2.891 2.496 3.564 . 0 0 "[ . 1 . 2]" 1
951 1 66 MET HB2 1 67 MET H 4.110 . 4.110 3.425 2.605 3.821 . 0 0 "[ . 1 . 2]" 1
952 1 66 MET HB3 1 67 MET H 3.440 . 3.440 2.782 2.381 3.507 0.067 1 0 "[ . 1 . 2]" 1
953 1 67 MET H 1 67 MET QB 3.320 . 3.320 2.283 2.256 2.353 . 0 0 "[ . 1 . 2]" 1
954 1 67 MET H 1 67 MET HB3 3.840 . 3.840 2.761 2.527 3.583 . 0 0 "[ . 1 . 2]" 1
955 1 67 MET H 1 67 MET HB2 3.840 . 3.840 2.508 2.323 2.594 . 0 0 "[ . 1 . 2]" 1
956 1 67 MET H 1 68 ALA H 3.120 . 3.120 2.655 2.589 2.695 . 0 0 "[ . 1 . 2]" 1
957 1 67 MET QB 1 68 ALA HA 5.340 . 5.340 4.180 3.864 4.428 . 0 0 "[ . 1 . 2]" 1
958 1 67 MET QB 1 68 ALA H 4.360 . 4.360 2.551 2.411 2.621 . 0 0 "[ . 1 . 2]" 1
959 1 68 ALA H 1 68 ALA MB 3.230 . 3.230 2.288 2.218 2.541 . 0 0 "[ . 1 . 2]" 1
960 1 68 ALA H 1 69 LYS QB 5.320 . 5.320 4.927 4.174 5.386 0.066 13 0 "[ . 1 . 2]" 1
961 1 69 LYS HA 1 69 LYS QB 2.560 . 2.560 2.370 2.185 2.433 . 0 0 "[ . 1 . 2]" 1
962 1 69 LYS HA 1 69 LYS QG 3.600 . 3.600 2.532 2.260 3.310 . 0 0 "[ . 1 . 2]" 1
963 1 69 LYS H 1 69 LYS QB 3.320 . 3.320 2.725 2.235 3.438 0.118 9 0 "[ . 1 . 2]" 1
964 1 69 LYS H 1 69 LYS QG 4.050 . 4.050 3.137 1.885 4.135 0.085 1 0 "[ . 1 . 2]" 1
965 1 69 LYS H 1 69 LYS HG3 4.780 . 4.780 3.778 2.181 4.772 . 0 0 "[ . 1 . 2]" 1
966 1 69 LYS H 1 69 LYS HG2 4.780 . 4.780 3.664 1.894 4.831 0.051 3 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 12
_Distance_constraint_stats_list.Viol_count 100
_Distance_constraint_stats_list.Viol_total 606.619
_Distance_constraint_stats_list.Viol_max 1.636
_Distance_constraint_stats_list.Viol_rms 0.3384
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1264
_Distance_constraint_stats_list.Viol_average_violations_only 0.3033
_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 14 ASP 22.713 1.636 13 17 "[**-*. **** *+*******]"
1 16 ASP 2.588 0.255 12 0 "[ . 1 . 2]"
1 18 ASN 0.547 0.233 4 0 "[ . 1 . 2]"
1 20 PHE 0.206 0.106 16 0 "[ . 1 . 2]"
1 25 GLU 0.417 0.182 4 0 "[ . 1 . 2]"
1 50 ASP 0.824 0.177 19 0 "[ . 1 . 2]"
1 52 ASP 0.950 0.178 1 0 "[ . 1 . 2]"
1 54 ASP 0.699 0.354 7 0 "[ . 1 . 2]"
1 56 GLN 0.493 0.168 19 0 "[ . 1 . 2]"
1 61 GLU 0.892 0.264 1 0 "[ . 1 . 2]"
2 1 CA 26.472 1.636 13 17 "[**-*. **** *+*******]"
3 1 CA 3.859 0.354 7 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 14 ASP OD2 2 1 CA CA 3.000 . 3.000 4.136 3.134 4.636 1.636 13 17 "[**-*. **** *+*******]" 2
2 1 16 ASP OD2 2 1 CA CA 3.000 . 3.000 3.129 3.027 3.255 0.255 12 0 "[ . 1 . 2]" 2
3 1 18 ASN OD1 2 1 CA CA 3.000 . 3.000 2.913 2.598 3.233 0.233 4 0 "[ . 1 . 2]" 2
4 1 20 PHE O 2 1 CA CA 3.000 . 3.000 2.781 2.603 3.106 0.106 16 0 "[ . 1 . 2]" 2
5 1 25 GLU OE1 2 1 CA CA 3.000 . 3.000 2.797 2.619 3.182 0.182 4 0 "[ . 1 . 2]" 2
6 1 25 GLU OE2 2 1 CA CA 3.000 . 3.000 2.705 2.585 3.063 0.063 8 0 "[ . 1 . 2]" 2
7 1 50 ASP OD1 3 1 CA CA 3.000 . 3.000 2.966 2.657 3.177 0.177 19 0 "[ . 1 . 2]" 2
8 1 52 ASP OD2 3 1 CA CA 3.000 . 3.000 2.906 2.538 3.178 0.178 1 0 "[ . 1 . 2]" 2
9 1 54 ASP OD2 3 1 CA CA 3.000 . 3.000 2.813 2.516 3.354 0.354 7 0 "[ . 1 . 2]" 2
10 1 56 GLN O 3 1 CA CA 3.000 . 3.000 2.876 2.599 3.168 0.168 19 0 "[ . 1 . 2]" 2
11 1 61 GLU OE1 3 1 CA CA 3.000 . 3.000 2.786 2.441 3.139 0.139 3 0 "[ . 1 . 2]" 2
12 1 61 GLU OE2 3 1 CA CA 3.000 . 3.000 2.820 2.641 3.264 0.264 1 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 64
_Distance_constraint_stats_list.Viol_count 171
_Distance_constraint_stats_list.Viol_total 187.784
_Distance_constraint_stats_list.Viol_max 0.255
_Distance_constraint_stats_list.Viol_rms 0.0261
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0073
_Distance_constraint_stats_list.Viol_average_violations_only 0.0549
_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 1 ASP 1.669 0.255 9 0 "[ . 1 . 2]"
1 2 SER 0.291 0.113 16 0 "[ . 1 . 2]"
1 3 GLU 0.624 0.087 18 0 "[ . 1 . 2]"
1 4 GLU 2.602 0.172 13 0 "[ . 1 . 2]"
1 5 GLU 1.695 0.255 9 0 "[ . 1 . 2]"
1 6 LEU 0.291 0.113 16 0 "[ . 1 . 2]"
1 7 LYS 0.624 0.087 18 0 "[ . 1 . 2]"
1 8 GLU 2.896 0.172 13 0 "[ . 1 . 2]"
1 9 ALA 0.341 0.085 17 0 "[ . 1 . 2]"
1 10 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 VAL 0.293 0.055 17 0 "[ . 1 . 2]"
1 13 PHE 0.315 0.085 17 0 "[ . 1 . 2]"
1 21 ILE 1.195 0.145 14 0 "[ . 1 . 2]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ALA 0.016 0.010 20 0 "[ . 1 . 2]"
1 25 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ARG 0.208 0.066 16 0 "[ . 1 . 2]"
1 28 HIS 0.020 0.010 20 0 "[ . 1 . 2]"
1 29 VAL 0.727 0.140 3 0 "[ . 1 . 2]"
1 30 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 THR 0.208 0.066 16 0 "[ . 1 . 2]"
1 32 ASN 0.004 0.004 15 0 "[ . 1 . 2]"
1 33 LEU 0.727 0.140 3 0 "[ . 1 . 2]"
1 38 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 VAL 0.132 0.063 17 0 "[ . 1 . 2]"
1 43 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 MET 0.045 0.031 1 0 "[ . 1 . 2]"
1 46 ILE 0.132 0.063 17 0 "[ . 1 . 2]"
1 47 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ALA 0.045 0.031 1 0 "[ . 1 . 2]"
1 57 ILE 1.195 0.145 14 0 "[ . 1 . 2]"
1 59 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLU 0.428 0.162 7 0 "[ . 1 . 2]"
1 61 GLU 0.162 0.044 7 0 "[ . 1 . 2]"
1 62 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 VAL 0.030 0.030 12 0 "[ . 1 . 2]"
1 64 LYS 1.050 0.162 7 0 "[ . 1 . 2]"
1 65 VAL 0.162 0.044 7 0 "[ . 1 . 2]"
1 66 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 MET 0.030 0.030 12 0 "[ . 1 . 2]"
1 68 ALA 0.622 0.113 12 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ASP O 1 5 GLU H 2.100 . 2.100 2.142 1.951 2.355 0.255 9 0 "[ . 1 . 2]" 3
2 1 1 ASP O 1 5 GLU N 3.100 . 3.100 3.038 2.852 3.280 0.180 9 0 "[ . 1 . 2]" 3
3 1 2 SER O 1 6 LEU H 2.100 . 2.100 1.982 1.670 2.213 0.113 16 0 "[ . 1 . 2]" 3
4 1 2 SER O 1 6 LEU N 3.100 . 3.100 2.903 2.635 3.142 0.042 16 0 "[ . 1 . 2]" 3
5 1 3 GLU O 1 7 LYS H 2.100 . 2.100 2.097 1.949 2.187 0.087 18 0 "[ . 1 . 2]" 3
6 1 3 GLU O 1 7 LYS N 3.100 . 3.100 3.041 2.912 3.126 0.026 18 0 "[ . 1 . 2]" 3
7 1 4 GLU O 1 8 GLU H 2.100 . 2.100 2.230 2.159 2.272 0.172 13 0 "[ . 1 . 2]" 3
8 1 4 GLU O 1 8 GLU N 3.100 . 3.100 3.035 2.923 3.093 . 0 0 "[ . 1 . 2]" 3
9 1 5 GLU O 1 9 ALA H 2.100 . 2.100 2.054 1.900 2.115 0.015 3 0 "[ . 1 . 2]" 3
10 1 5 GLU O 1 9 ALA N 3.100 . 3.100 2.989 2.840 3.052 . 0 0 "[ . 1 . 2]" 3
11 1 6 LEU O 1 10 PHE H 2.100 . 2.100 1.925 1.867 2.012 . 0 0 "[ . 1 . 2]" 3
12 1 6 LEU O 1 10 PHE N 3.100 . 3.100 2.849 2.793 2.920 . 0 0 "[ . 1 . 2]" 3
13 1 7 LYS O 1 11 ARG H 2.100 . 2.100 1.864 1.773 1.934 . 0 0 "[ . 1 . 2]" 3
14 1 7 LYS O 1 11 ARG N 3.100 . 3.100 2.795 2.715 2.869 . 0 0 "[ . 1 . 2]" 3
15 1 8 GLU O 1 12 VAL H 2.100 . 2.100 2.080 1.954 2.155 0.055 17 0 "[ . 1 . 2]" 3
16 1 8 GLU O 1 12 VAL N 3.100 . 3.100 2.904 2.795 2.983 . 0 0 "[ . 1 . 2]" 3
17 1 9 ALA O 1 13 PHE H 2.100 . 2.100 2.036 1.819 2.185 0.085 17 0 "[ . 1 . 2]" 3
18 1 9 ALA O 1 13 PHE N 3.100 . 3.100 2.967 2.757 3.113 0.013 17 0 "[ . 1 . 2]" 3
19 1 23 ALA O 1 27 ARG H 2.100 . 2.100 1.592 1.502 1.723 . 0 0 "[ . 1 . 2]" 3
20 1 23 ALA O 1 27 ARG N 3.100 . 3.100 2.474 2.415 2.579 . 0 0 "[ . 1 . 2]" 3
21 1 24 ALA O 1 28 HIS H 2.100 . 2.100 2.000 1.881 2.110 0.010 20 0 "[ . 1 . 2]" 3
22 1 24 ALA O 1 28 HIS N 3.100 . 3.100 2.924 2.818 3.030 . 0 0 "[ . 1 . 2]" 3
23 1 25 GLU O 1 29 VAL H 2.100 . 2.100 1.871 1.675 2.063 . 0 0 "[ . 1 . 2]" 3
24 1 25 GLU O 1 29 VAL N 3.100 . 3.100 2.817 2.631 2.997 . 0 0 "[ . 1 . 2]" 3
25 1 26 LEU O 1 30 MET H 2.100 . 2.100 1.932 1.725 2.037 . 0 0 "[ . 1 . 2]" 3
26 1 26 LEU O 1 30 MET N 3.100 . 3.100 2.858 2.671 2.968 . 0 0 "[ . 1 . 2]" 3
27 1 27 ARG O 1 31 THR H 2.100 . 2.100 2.074 1.903 2.166 0.066 16 0 "[ . 1 . 2]" 3
28 1 27 ARG O 1 31 THR N 3.100 . 3.100 2.869 2.774 2.986 . 0 0 "[ . 1 . 2]" 3
29 1 28 HIS O 1 32 ASN H 2.100 . 2.100 1.978 1.807 2.104 0.004 15 0 "[ . 1 . 2]" 3
30 1 28 HIS O 1 32 ASN N 3.100 . 3.100 2.891 2.738 3.005 . 0 0 "[ . 1 . 2]" 3
31 1 29 VAL O 1 33 LEU H 2.100 . 2.100 2.077 1.849 2.240 0.140 3 0 "[ . 1 . 2]" 3
32 1 29 VAL O 1 33 LEU N 3.100 . 3.100 2.959 2.742 3.104 0.004 6 0 "[ . 1 . 2]" 3
33 1 38 THR O 1 42 VAL H 2.100 . 2.100 2.030 1.964 2.099 . 0 0 "[ . 1 . 2]" 3
34 1 38 THR O 1 42 VAL N 3.100 . 3.100 2.991 2.926 3.057 . 0 0 "[ . 1 . 2]" 3
35 1 39 ASP O 1 43 ASP H 2.100 . 2.100 1.770 1.638 2.045 . 0 0 "[ . 1 . 2]" 3
36 1 39 ASP O 1 43 ASP N 3.100 . 3.100 2.708 2.577 2.987 . 0 0 "[ . 1 . 2]" 3
37 1 40 GLU O 1 44 GLU H 2.100 . 2.100 1.732 1.657 1.790 . 0 0 "[ . 1 . 2]" 3
38 1 40 GLU O 1 44 GLU N 3.100 . 3.100 2.677 2.592 2.738 . 0 0 "[ . 1 . 2]" 3
39 1 41 GLU O 1 45 MET H 2.100 . 2.100 1.959 1.868 2.060 . 0 0 "[ . 1 . 2]" 3
40 1 41 GLU O 1 45 MET N 3.100 . 3.100 2.889 2.809 3.011 . 0 0 "[ . 1 . 2]" 3
41 1 42 VAL O 1 46 ILE H 2.100 . 2.100 2.063 1.958 2.163 0.063 17 0 "[ . 1 . 2]" 3
42 1 42 VAL O 1 46 ILE N 3.100 . 3.100 2.959 2.870 3.052 . 0 0 "[ . 1 . 2]" 3
43 1 43 ASP O 1 47 ARG H 2.100 . 2.100 1.607 1.521 1.727 . 0 0 "[ . 1 . 2]" 3
44 1 43 ASP O 1 47 ARG N 3.100 . 3.100 2.568 2.479 2.692 . 0 0 "[ . 1 . 2]" 3
45 1 44 GLU O 1 48 GLU H 2.100 . 2.100 1.923 1.765 2.044 . 0 0 "[ . 1 . 2]" 3
46 1 44 GLU O 1 48 GLU N 3.100 . 3.100 2.774 2.646 2.867 . 0 0 "[ . 1 . 2]" 3
47 1 45 MET O 1 49 ALA H 2.100 . 2.100 1.953 1.763 2.131 0.031 1 0 "[ . 1 . 2]" 3
48 1 45 MET O 1 49 ALA N 3.100 . 3.100 2.811 2.680 2.905 . 0 0 "[ . 1 . 2]" 3
49 1 59 TYR O 1 63 VAL H 2.100 . 2.100 1.863 1.705 1.995 . 0 0 "[ . 1 . 2]" 3
50 1 59 TYR O 1 63 VAL N 3.100 . 3.100 2.768 2.643 2.906 . 0 0 "[ . 1 . 2]" 3
51 1 60 GLU O 1 64 LYS H 2.100 . 2.100 2.076 1.915 2.262 0.162 7 0 "[ . 1 . 2]" 3
52 1 60 GLU O 1 64 LYS N 3.100 . 3.100 2.972 2.790 3.121 0.021 7 0 "[ . 1 . 2]" 3
53 1 61 GLU O 1 65 VAL H 2.100 . 2.100 1.990 1.837 2.144 0.044 7 0 "[ . 1 . 2]" 3
54 1 61 GLU O 1 65 VAL N 3.100 . 3.100 2.944 2.808 3.103 0.003 5 0 "[ . 1 . 2]" 3
55 1 62 PHE O 1 66 MET H 2.100 . 2.100 1.823 1.626 2.092 . 0 0 "[ . 1 . 2]" 3
56 1 62 PHE O 1 66 MET N 3.100 . 3.100 2.750 2.569 2.987 . 0 0 "[ . 1 . 2]" 3
57 1 63 VAL O 1 67 MET H 2.100 . 2.100 1.786 1.591 2.130 0.030 12 0 "[ . 1 . 2]" 3
58 1 63 VAL O 1 67 MET N 3.100 . 3.100 2.683 2.503 2.986 . 0 0 "[ . 1 . 2]" 3
59 1 64 LYS O 1 68 ALA H 2.100 . 2.100 2.114 2.001 2.213 0.113 12 0 "[ . 1 . 2]" 3
60 1 64 LYS O 1 68 ALA N 3.100 . 3.100 3.000 2.901 3.068 . 0 0 "[ . 1 . 2]" 3
61 1 21 ILE H 1 57 ILE O 2.100 . 2.100 2.060 1.847 2.245 0.145 14 0 "[ . 1 . 2]" 3
62 1 21 ILE N 1 57 ILE O 3.100 . 3.100 2.952 2.803 3.085 . 0 0 "[ . 1 . 2]" 3
63 1 21 ILE O 1 57 ILE H 2.100 . 2.100 2.105 1.891 2.194 0.094 16 0 "[ . 1 . 2]" 3
64 1 21 ILE O 1 57 ILE N 3.100 . 3.100 3.058 2.815 3.154 0.054 18 0 "[ . 1 . 2]" 3
stop_
save_
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