NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
444365 |
2khg   |
16241 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2khg
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 308
_Distance_constraint_stats_list.Viol_count 36
_Distance_constraint_stats_list.Viol_total 3.869
_Distance_constraint_stats_list.Viol_max 0.013
_Distance_constraint_stats_list.Viol_rms 0.0006
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0054
_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 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ALA 0.140 0.013 13 0 "[ . 1 . 2]"
1 3 TRP 0.140 0.013 13 0 "[ . 1 . 2]"
1 4 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 PHE 0.000 0.000 9 0 "[ . 1 . 2]"
1 15 TYR 0.001 0.000 9 0 "[ . 1 . 2]"
1 16 ASP 0.001 0.001 9 0 "[ . 1 . 2]"
1 17 GLY 0.001 0.001 9 0 "[ . 1 . 2]"
1 18 GLU 0.001 0.001 9 0 "[ . 1 . 2]"
1 19 ALA 0.051 0.003 6 0 "[ . 1 . 2]"
1 20 GLY 0.051 0.003 6 0 "[ . 1 . 2]"
1 21 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLY QA 1 2 ALA H . . 3.460 2.266 2.109 2.762 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLY QA 1 3 TRP H . . 5.360 3.490 3.107 4.176 . 0 0 "[ . 1 . 2]" 1
3 1 2 ALA H 1 2 ALA MB . . 3.590 2.548 2.029 2.913 . 0 0 "[ . 1 . 2]" 1
4 1 2 ALA H 1 3 TRP H . . 4.250 2.240 1.898 2.756 . 0 0 "[ . 1 . 2]" 1
5 1 2 ALA H 1 4 LYS H . . 4.540 3.351 2.567 4.353 . 0 0 "[ . 1 . 2]" 1
6 1 2 ALA HA 1 3 TRP H . . 3.500 3.498 3.466 3.513 0.013 13 0 "[ . 1 . 2]" 1
7 1 2 ALA HA 1 5 ASN H . . 3.800 3.549 3.214 3.797 . 0 0 "[ . 1 . 2]" 1
8 1 2 ALA HA 1 5 ASN QB . . 4.070 2.881 2.574 3.280 . 0 0 "[ . 1 . 2]" 1
9 1 2 ALA MB 1 3 TRP H . . 3.840 2.802 2.717 2.903 . 0 0 "[ . 1 . 2]" 1
10 1 2 ALA MB 1 3 TRP QB . . 5.180 3.978 3.808 4.213 . 0 0 "[ . 1 . 2]" 1
11 1 2 ALA MB 1 3 TRP HD1 . . 4.650 4.163 3.951 4.513 . 0 0 "[ . 1 . 2]" 1
12 1 2 ALA MB 1 4 LYS H . . 5.170 4.538 4.446 4.620 . 0 0 "[ . 1 . 2]" 1
13 1 2 ALA MB 1 5 ASN H . . 5.500 4.603 4.233 4.768 . 0 0 "[ . 1 . 2]" 1
14 1 2 ALA MB 1 5 ASN QB . . 4.400 3.970 3.392 4.351 . 0 0 "[ . 1 . 2]" 1
15 1 3 TRP H 1 3 TRP QB . . 3.340 2.550 2.425 2.631 . 0 0 "[ . 1 . 2]" 1
16 1 3 TRP H 1 3 TRP HD1 . . 4.600 2.482 2.416 2.581 . 0 0 "[ . 1 . 2]" 1
17 1 3 TRP H 1 4 LYS QB . . 4.620 4.244 4.131 4.477 . 0 0 "[ . 1 . 2]" 1
18 1 3 TRP H 1 5 ASN QB . . 5.370 4.759 4.633 5.053 . 0 0 "[ . 1 . 2]" 1
19 1 3 TRP HA 1 3 TRP HD1 . . 4.710 4.489 4.460 4.510 . 0 0 "[ . 1 . 2]" 1
20 1 3 TRP HA 1 3 TRP HE3 . . 4.370 4.173 4.142 4.216 . 0 0 "[ . 1 . 2]" 1
21 1 3 TRP HA 1 4 LYS H . . 3.800 3.504 3.491 3.518 . 0 0 "[ . 1 . 2]" 1
22 1 3 TRP HA 1 5 ASN H . . 4.360 4.032 3.963 4.155 . 0 0 "[ . 1 . 2]" 1
23 1 3 TRP HA 1 6 PHE H . . 4.020 3.837 3.698 3.923 . 0 0 "[ . 1 . 2]" 1
24 1 3 TRP HA 1 7 TRP H . . 5.500 5.203 5.114 5.324 . 0 0 "[ . 1 . 2]" 1
25 1 3 TRP HA 1 7 TRP HD1 . . 5.500 5.395 5.264 5.488 . 0 0 "[ . 1 . 2]" 1
26 1 3 TRP QB 1 3 TRP HD1 . . 3.630 2.586 2.568 2.599 . 0 0 "[ . 1 . 2]" 1
27 1 3 TRP QB 1 3 TRP HE3 . . 3.600 2.599 2.575 2.635 . 0 0 "[ . 1 . 2]" 1
28 1 3 TRP QB 1 4 LYS H . . 3.780 3.490 3.450 3.525 . 0 0 "[ . 1 . 2]" 1
29 1 3 TRP QB 1 4 LYS HA . . 4.590 4.385 4.354 4.409 . 0 0 "[ . 1 . 2]" 1
30 1 3 TRP QB 1 7 TRP HD1 . . 4.680 4.411 4.304 4.537 . 0 0 "[ . 1 . 2]" 1
31 1 3 TRP HD1 1 4 LYS H . . 4.520 3.851 3.709 4.029 . 0 0 "[ . 1 . 2]" 1
32 1 3 TRP HE3 1 4 LYS HA . . 4.810 2.794 2.610 2.959 . 0 0 "[ . 1 . 2]" 1
33 1 3 TRP HH2 1 4 LYS HA . . 4.710 4.678 4.618 4.707 . 0 0 "[ . 1 . 2]" 1
34 1 3 TRP HZ3 1 4 LYS QB . . 4.890 3.973 3.691 4.189 . 0 0 "[ . 1 . 2]" 1
35 1 4 LYS H 1 4 LYS QB . . 3.180 2.237 2.193 2.259 . 0 0 "[ . 1 . 2]" 1
36 1 4 LYS H 1 4 LYS HG2 . . 5.500 4.431 4.328 4.564 . 0 0 "[ . 1 . 2]" 1
37 1 4 LYS H 1 4 LYS QG . . 4.760 3.964 3.879 4.037 . 0 0 "[ . 1 . 2]" 1
38 1 4 LYS H 1 4 LYS HG3 . . 5.500 4.475 4.308 4.644 . 0 0 "[ . 1 . 2]" 1
39 1 4 LYS HA 1 4 LYS QB . . 2.730 2.392 2.310 2.469 . 0 0 "[ . 1 . 2]" 1
40 1 4 LYS HA 1 7 TRP H . . 4.500 3.385 3.306 3.492 . 0 0 "[ . 1 . 2]" 1
41 1 4 LYS HA 1 7 TRP HB2 . . 4.500 2.854 2.791 2.891 . 0 0 "[ . 1 . 2]" 1
42 1 4 LYS HA 1 7 TRP HB3 . . 4.500 4.473 4.402 4.499 . 0 0 "[ . 1 . 2]" 1
43 1 4 LYS HA 1 8 SER H . . 5.000 4.307 4.147 4.492 . 0 0 "[ . 1 . 2]" 1
44 1 4 LYS QE 1 4 LYS QG . . 3.470 2.113 1.950 2.291 . 0 0 "[ . 1 . 2]" 1
45 1 4 LYS QG 1 5 ASN H . . 5.340 4.176 3.732 4.488 . 0 0 "[ . 1 . 2]" 1
46 1 4 LYS QG 1 7 TRP H . . 4.570 4.498 4.383 4.567 . 0 0 "[ . 1 . 2]" 1
47 1 4 LYS QG 1 7 TRP HB2 . . 4.080 3.032 2.880 3.205 . 0 0 "[ . 1 . 2]" 1
48 1 5 ASN H 1 5 ASN QB . . 3.480 2.155 2.046 2.390 . 0 0 "[ . 1 . 2]" 1
49 1 5 ASN H 1 6 PHE H . . 2.950 2.856 2.765 2.926 . 0 0 "[ . 1 . 2]" 1
50 1 5 ASN HA 1 6 PHE H . . 3.800 3.555 3.536 3.566 . 0 0 "[ . 1 . 2]" 1
51 1 5 ASN HA 1 7 TRP H . . 4.720 4.638 4.448 4.712 . 0 0 "[ . 1 . 2]" 1
52 1 5 ASN HA 1 8 SER H . . 4.320 3.524 3.421 3.675 . 0 0 "[ . 1 . 2]" 1
53 1 5 ASN HA 1 9 SER H . . 4.690 4.613 4.433 4.685 . 0 0 "[ . 1 . 2]" 1
54 1 5 ASN QB 1 6 PHE H . . 3.930 2.470 2.299 2.623 . 0 0 "[ . 1 . 2]" 1
55 1 5 ASN QB 1 6 PHE HA . . 5.070 3.840 3.666 4.244 . 0 0 "[ . 1 . 2]" 1
56 1 5 ASN QB 1 7 TRP H . . 4.980 4.772 4.689 4.886 . 0 0 "[ . 1 . 2]" 1
57 1 5 ASN QB 1 8 SER H . . 5.500 4.895 4.706 5.108 . 0 0 "[ . 1 . 2]" 1
58 1 6 PHE H 1 6 PHE HB2 . . 3.510 2.403 2.234 2.635 . 0 0 "[ . 1 . 2]" 1
59 1 6 PHE H 1 6 PHE HB3 . . 3.440 2.675 2.427 2.876 . 0 0 "[ . 1 . 2]" 1
60 1 6 PHE H 1 6 PHE QD . . 5.300 4.139 4.073 4.179 . 0 0 "[ . 1 . 2]" 1
61 1 6 PHE HA 1 6 PHE QD . . 4.000 2.823 2.195 3.121 . 0 0 "[ . 1 . 2]" 1
62 1 6 PHE HA 1 6 PHE QE . . 5.490 4.571 4.480 4.648 . 0 0 "[ . 1 . 2]" 1
63 1 6 PHE HA 1 8 SER H . . 4.800 4.294 4.101 4.529 . 0 0 "[ . 1 . 2]" 1
64 1 6 PHE HB3 1 7 TRP H . . 3.410 2.415 2.305 2.508 . 0 0 "[ . 1 . 2]" 1
65 1 6 PHE HB3 1 7 TRP HE3 . . 5.230 5.187 5.104 5.230 . 0 0 "[ . 1 . 2]" 1
66 1 6 PHE QD 1 7 TRP H . . 4.930 3.589 3.384 3.773 . 0 0 "[ . 1 . 2]" 1
67 1 6 PHE QD 1 7 TRP HA . . 4.370 3.421 2.925 4.223 . 0 0 "[ . 1 . 2]" 1
68 1 6 PHE QD 1 10 LEU MD1 . . 4.930 2.563 2.028 3.381 . 0 0 "[ . 1 . 2]" 1
69 1 6 PHE QD 1 10 LEU MD2 . . 5.240 3.340 3.106 3.571 . 0 0 "[ . 1 . 2]" 1
70 1 6 PHE QE 1 7 TRP HA . . 5.500 4.949 4.724 5.325 . 0 0 "[ . 1 . 2]" 1
71 1 6 PHE QE 1 9 SER QB . . 5.340 4.552 4.244 4.854 . 0 0 "[ . 1 . 2]" 1
72 1 6 PHE QE 1 10 LEU H . . 4.810 4.776 4.726 4.809 . 0 0 "[ . 1 . 2]" 1
73 1 6 PHE QE 1 10 LEU HA . . 5.500 5.386 5.277 5.494 . 0 0 "[ . 1 . 2]" 1
74 1 6 PHE QE 1 10 LEU QB . . 4.720 4.540 4.345 4.718 . 0 0 "[ . 1 . 2]" 1
75 1 6 PHE QE 1 10 LEU MD1 . . 4.080 2.427 2.037 2.749 . 0 0 "[ . 1 . 2]" 1
76 1 6 PHE QE 1 10 LEU MD2 . . 4.400 2.056 1.963 2.276 . 0 0 "[ . 1 . 2]" 1
77 1 6 PHE HZ 1 10 LEU MD1 . . 4.550 3.781 2.370 4.534 . 0 0 "[ . 1 . 2]" 1
78 1 6 PHE HZ 1 10 LEU MD2 . . 4.190 3.350 2.689 3.917 . 0 0 "[ . 1 . 2]" 1
79 1 7 TRP H 1 7 TRP HB2 . . 3.450 2.465 2.395 2.547 . 0 0 "[ . 1 . 2]" 1
80 1 7 TRP H 1 7 TRP HB3 . . 3.770 3.586 3.578 3.591 . 0 0 "[ . 1 . 2]" 1
81 1 7 TRP H 1 7 TRP HD1 . . 4.730 3.391 3.316 3.435 . 0 0 "[ . 1 . 2]" 1
82 1 7 TRP H 1 8 SER H . . 3.070 2.727 2.660 2.828 . 0 0 "[ . 1 . 2]" 1
83 1 7 TRP H 1 9 SER H . . 4.680 4.302 4.170 4.403 . 0 0 "[ . 1 . 2]" 1
84 1 7 TRP HA 1 7 TRP HD1 . . 4.820 4.619 4.585 4.686 . 0 0 "[ . 1 . 2]" 1
85 1 7 TRP HA 1 7 TRP HE3 . . 3.510 2.022 2.001 2.094 . 0 0 "[ . 1 . 2]" 1
86 1 7 TRP HA 1 7 TRP HZ3 . . 4.750 4.302 4.272 4.350 . 0 0 "[ . 1 . 2]" 1
87 1 7 TRP HA 1 10 LEU H . . 3.840 3.530 3.438 3.649 . 0 0 "[ . 1 . 2]" 1
88 1 7 TRP HA 1 10 LEU QB . . 3.230 3.083 2.938 3.183 . 0 0 "[ . 1 . 2]" 1
89 1 7 TRP HA 1 10 LEU MD1 . . 4.350 2.697 2.400 2.910 . 0 0 "[ . 1 . 2]" 1
90 1 7 TRP HA 1 10 LEU HG . . 3.210 3.016 2.766 3.209 . 0 0 "[ . 1 . 2]" 1
91 1 7 TRP HA 1 11 ARG H . . 5.000 4.161 3.958 4.374 . 0 0 "[ . 1 . 2]" 1
92 1 7 TRP HB2 1 7 TRP HD1 . . 3.830 2.552 2.548 2.553 . 0 0 "[ . 1 . 2]" 1
93 1 7 TRP HB2 1 8 SER H . . 3.800 2.724 2.518 2.870 . 0 0 "[ . 1 . 2]" 1
94 1 7 TRP HB2 1 8 SER QB . . 4.900 4.348 4.159 4.889 . 0 0 "[ . 1 . 2]" 1
95 1 7 TRP HB2 1 9 SER H . . 5.230 5.136 4.913 5.225 . 0 0 "[ . 1 . 2]" 1
96 1 7 TRP HB3 1 7 TRP HE3 . . 3.740 3.086 3.044 3.102 . 0 0 "[ . 1 . 2]" 1
97 1 7 TRP HB3 1 8 SER H . . 3.990 3.672 3.483 3.870 . 0 0 "[ . 1 . 2]" 1
98 1 7 TRP HE3 1 10 LEU QB . . 4.230 3.129 2.864 3.396 . 0 0 "[ . 1 . 2]" 1
99 1 7 TRP HE3 1 10 LEU MD1 . . 4.660 2.075 1.975 2.250 . 0 0 "[ . 1 . 2]" 1
100 1 7 TRP HE3 1 10 LEU MD2 . . 4.660 4.617 4.525 4.657 . 0 0 "[ . 1 . 2]" 1
101 1 7 TRP HH2 1 10 LEU MD1 . . 4.440 4.060 3.912 4.208 . 0 0 "[ . 1 . 2]" 1
102 1 7 TRP HZ3 1 10 LEU MD1 . . 4.690 2.312 2.161 2.447 . 0 0 "[ . 1 . 2]" 1
103 1 7 TRP HZ3 1 10 LEU MD2 . . 4.820 4.705 4.602 4.796 . 0 0 "[ . 1 . 2]" 1
104 1 8 SER H 1 8 SER HB2 . . 3.620 2.563 2.073 3.505 . 0 0 "[ . 1 . 2]" 1
105 1 8 SER H 1 8 SER HB3 . . 3.620 2.927 2.155 3.592 . 0 0 "[ . 1 . 2]" 1
106 1 8 SER H 1 9 SER H . . 3.590 2.720 2.640 2.803 . 0 0 "[ . 1 . 2]" 1
107 1 8 SER HA 1 9 SER H . . 4.000 3.530 3.512 3.545 . 0 0 "[ . 1 . 2]" 1
108 1 8 SER HA 1 11 ARG H . . 3.790 3.656 3.480 3.779 . 0 0 "[ . 1 . 2]" 1
109 1 8 SER HA 1 11 ARG QB . . 5.000 2.676 2.465 3.031 . 0 0 "[ . 1 . 2]" 1
110 1 8 SER QB 1 11 ARG QD . . 4.860 4.518 3.713 4.849 . 0 0 "[ . 1 . 2]" 1
111 1 8 SER HB2 1 9 SER H . . 4.000 3.462 2.580 3.996 . 0 0 "[ . 1 . 2]" 1
112 1 9 SER H 1 9 SER QB . . 3.120 2.216 2.050 2.792 . 0 0 "[ . 1 . 2]" 1
113 1 9 SER H 1 12 LYS QD . . 5.500 5.229 4.979 5.499 . 0 0 "[ . 1 . 2]" 1
114 1 9 SER HA 1 12 LYS QB . . 5.000 3.077 2.877 3.262 . 0 0 "[ . 1 . 2]" 1
115 1 9 SER QB 1 10 LEU H . . 3.080 2.402 2.279 2.599 . 0 0 "[ . 1 . 2]" 1
116 1 10 LEU H 1 10 LEU QB . . 3.000 2.605 2.561 2.633 . 0 0 "[ . 1 . 2]" 1
117 1 10 LEU H 1 10 LEU MD1 . . 5.140 3.563 3.453 3.636 . 0 0 "[ . 1 . 2]" 1
118 1 10 LEU H 1 10 LEU MD2 . . 5.140 2.921 2.684 3.186 . 0 0 "[ . 1 . 2]" 1
119 1 10 LEU H 1 10 LEU HG . . 3.470 1.975 1.950 2.014 . 0 0 "[ . 1 . 2]" 1
120 1 10 LEU H 1 11 ARG H . . 3.270 2.774 2.660 2.836 . 0 0 "[ . 1 . 2]" 1
121 1 10 LEU HA 1 10 LEU MD1 . . 4.090 3.896 3.857 3.938 . 0 0 "[ . 1 . 2]" 1
122 1 10 LEU HA 1 10 LEU MD2 . . 3.560 2.135 1.995 2.319 . 0 0 "[ . 1 . 2]" 1
123 1 10 LEU HA 1 10 LEU HG . . 3.450 3.271 3.179 3.365 . 0 0 "[ . 1 . 2]" 1
124 1 10 LEU HA 1 13 GLY H . . 3.620 3.397 3.265 3.475 . 0 0 "[ . 1 . 2]" 1
125 1 10 LEU HA 1 14 PHE H . . 4.500 4.254 3.985 4.435 . 0 0 "[ . 1 . 2]" 1
126 1 10 LEU QB 1 10 LEU MD1 . . 3.220 2.058 2.038 2.086 . 0 0 "[ . 1 . 2]" 1
127 1 10 LEU QB 1 10 LEU MD2 . . 3.220 2.273 2.173 2.324 . 0 0 "[ . 1 . 2]" 1
128 1 10 LEU QB 1 11 ARG H . . 3.360 2.532 2.355 2.691 . 0 0 "[ . 1 . 2]" 1
129 1 10 LEU QB 1 13 GLY H . . 4.680 4.653 4.559 4.680 . 0 0 "[ . 1 . 2]" 1
130 1 10 LEU QB 1 14 PHE H . . 5.500 4.545 4.418 4.665 . 0 0 "[ . 1 . 2]" 1
131 1 10 LEU HG 1 11 ARG H . . 4.090 4.071 4.013 4.090 . 0 0 "[ . 1 . 2]" 1
132 1 11 ARG H 1 11 ARG QB . . 3.410 2.169 2.044 2.479 . 0 0 "[ . 1 . 2]" 1
133 1 11 ARG H 1 11 ARG QD . . 4.450 3.883 3.219 4.413 . 0 0 "[ . 1 . 2]" 1
134 1 11 ARG H 1 11 ARG HG2 . . 4.660 4.232 2.922 4.649 . 0 0 "[ . 1 . 2]" 1
135 1 11 ARG H 1 11 ARG QG . . 4.010 3.262 2.294 3.966 . 0 0 "[ . 1 . 2]" 1
136 1 11 ARG H 1 11 ARG HG3 . . 4.660 3.432 2.398 4.438 . 0 0 "[ . 1 . 2]" 1
137 1 11 ARG HA 1 11 ARG HE . . 5.500 4.934 4.156 5.498 . 0 0 "[ . 1 . 2]" 1
138 1 11 ARG HA 1 11 ARG HG2 . . 3.780 2.792 2.196 3.238 . 0 0 "[ . 1 . 2]" 1
139 1 11 ARG HA 1 11 ARG QG . . 3.290 2.234 2.048 2.483 . 0 0 "[ . 1 . 2]" 1
140 1 11 ARG HA 1 11 ARG HG3 . . 3.780 2.481 2.076 3.398 . 0 0 "[ . 1 . 2]" 1
141 1 11 ARG HA 1 12 LYS H . . 3.800 3.562 3.543 3.570 . 0 0 "[ . 1 . 2]" 1
142 1 11 ARG HA 1 12 LYS QE . . 4.730 4.688 4.613 4.728 . 0 0 "[ . 1 . 2]" 1
143 1 11 ARG HA 1 13 GLY H . . 4.500 4.209 4.041 4.375 . 0 0 "[ . 1 . 2]" 1
144 1 11 ARG HA 1 14 PHE H . . 3.860 3.663 3.549 3.770 . 0 0 "[ . 1 . 2]" 1
145 1 11 ARG HA 1 14 PHE QB . . 3.440 3.263 3.073 3.407 . 0 0 "[ . 1 . 2]" 1
146 1 11 ARG HA 1 14 PHE QD . . 5.500 5.016 4.160 5.385 . 0 0 "[ . 1 . 2]" 1
147 1 11 ARG HA 1 15 TYR H . . 4.250 4.184 4.041 4.244 . 0 0 "[ . 1 . 2]" 1
148 1 12 LYS H 1 12 LYS HA . . 2.910 2.785 2.767 2.805 . 0 0 "[ . 1 . 2]" 1
149 1 12 LYS H 1 12 LYS QB . . 2.840 2.124 2.097 2.167 . 0 0 "[ . 1 . 2]" 1
150 1 12 LYS H 1 12 LYS QD . . 3.490 2.168 1.964 2.307 . 0 0 "[ . 1 . 2]" 1
151 1 12 LYS H 1 12 LYS QE . . 5.300 3.083 2.966 3.219 . 0 0 "[ . 1 . 2]" 1
152 1 12 LYS H 1 12 LYS HG2 . . 4.220 4.042 3.952 4.106 . 0 0 "[ . 1 . 2]" 1
153 1 12 LYS H 1 13 GLY H . . 2.950 2.719 2.656 2.788 . 0 0 "[ . 1 . 2]" 1
154 1 12 LYS HA 1 12 LYS QB . . 2.700 2.514 2.501 2.520 . 0 0 "[ . 1 . 2]" 1
155 1 12 LYS HA 1 12 LYS QD . . 3.650 2.875 2.815 2.947 . 0 0 "[ . 1 . 2]" 1
156 1 12 LYS HA 1 12 LYS QE . . 3.590 2.096 1.975 2.184 . 0 0 "[ . 1 . 2]" 1
157 1 12 LYS HA 1 12 LYS HG3 . . 2.970 2.439 2.401 2.470 . 0 0 "[ . 1 . 2]" 1
158 1 12 LYS HA 1 13 GLY H . . 4.300 3.511 3.478 3.537 . 0 0 "[ . 1 . 2]" 1
159 1 12 LYS HA 1 15 TYR H . . 3.680 3.539 3.461 3.635 . 0 0 "[ . 1 . 2]" 1
160 1 12 LYS HA 1 15 TYR HB2 . . 3.560 2.448 2.358 2.580 . 0 0 "[ . 1 . 2]" 1
161 1 12 LYS HA 1 15 TYR QB . . 3.110 2.366 2.273 2.495 . 0 0 "[ . 1 . 2]" 1
162 1 12 LYS HA 1 15 TYR HB3 . . 3.560 3.143 2.974 3.316 . 0 0 "[ . 1 . 2]" 1
163 1 12 LYS HA 1 15 TYR QD . . 4.480 3.536 3.410 3.651 . 0 0 "[ . 1 . 2]" 1
164 1 12 LYS HA 1 16 ASP H . . 5.000 4.874 4.541 4.988 . 0 0 "[ . 1 . 2]" 1
165 1 12 LYS QB 1 13 GLY H . . 3.270 2.818 2.711 2.937 . 0 0 "[ . 1 . 2]" 1
166 1 12 LYS QD 1 13 GLY H . . 4.570 4.453 4.325 4.520 . 0 0 "[ . 1 . 2]" 1
167 1 12 LYS QD 1 15 TYR QD . . 4.770 4.723 4.632 4.766 . 0 0 "[ . 1 . 2]" 1
168 1 12 LYS QE 1 12 LYS HG2 . . 3.710 3.205 3.149 3.250 . 0 0 "[ . 1 . 2]" 1
169 1 12 LYS QE 1 15 TYR QE . . 5.500 4.042 3.919 4.166 . 0 0 "[ . 1 . 2]" 1
170 1 12 LYS HG3 1 15 TYR QB . . 4.530 4.023 3.896 4.162 . 0 0 "[ . 1 . 2]" 1
171 1 13 GLY QA 1 14 PHE H . . 3.500 2.590 2.555 2.626 . 0 0 "[ . 1 . 2]" 1
172 1 13 GLY QA 1 15 TYR H . . 4.490 3.815 3.743 3.879 . 0 0 "[ . 1 . 2]" 1
173 1 13 GLY QA 1 16 ASP H . . 5.370 3.780 3.656 3.845 . 0 0 "[ . 1 . 2]" 1
174 1 14 PHE H 1 14 PHE QB . . 3.080 2.247 2.215 2.260 . 0 0 "[ . 1 . 2]" 1
175 1 14 PHE H 1 15 TYR H . . 2.850 2.571 2.554 2.632 . 0 0 "[ . 1 . 2]" 1
176 1 14 PHE H 1 16 ASP H . . 4.330 4.282 4.206 4.330 . 0 0 "[ . 1 . 2]" 1
177 1 14 PHE HA 1 14 PHE QD . . 3.690 2.982 2.362 3.092 . 0 0 "[ . 1 . 2]" 1
178 1 14 PHE HA 1 14 PHE QE . . 4.940 4.644 4.537 4.725 . 0 0 "[ . 1 . 2]" 1
179 1 14 PHE HA 1 15 TYR H . . 3.500 3.471 3.464 3.485 . 0 0 "[ . 1 . 2]" 1
180 1 14 PHE HA 1 17 GLY H . . 4.410 3.608 3.328 3.985 . 0 0 "[ . 1 . 2]" 1
181 1 14 PHE HA 1 17 GLY QA . . 3.500 3.205 2.976 3.500 . 0 0 "[ . 1 . 2]" 1
182 1 14 PHE HA 1 18 GLU H . . 5.000 4.098 3.636 4.379 . 0 0 "[ . 1 . 2]" 1
183 1 14 PHE QB 1 15 TYR H . . 2.890 2.865 2.798 2.889 . 0 0 "[ . 1 . 2]" 1
184 1 14 PHE QB 1 15 TYR HA . . 4.760 4.081 3.974 4.248 . 0 0 "[ . 1 . 2]" 1
185 1 14 PHE QD 1 15 TYR HA . . 4.570 3.376 3.131 4.172 . 0 0 "[ . 1 . 2]" 1
186 1 14 PHE QD 1 15 TYR QB . . 5.240 4.745 4.450 4.989 . 0 0 "[ . 1 . 2]" 1
187 1 14 PHE QD 1 18 GLU QG . . 5.500 5.014 4.053 5.486 . 0 0 "[ . 1 . 2]" 1
188 1 14 PHE QD 1 19 ALA MB . . 4.900 4.830 4.709 4.900 . 0 0 "[ . 1 . 2]" 1
189 1 14 PHE QE 1 17 GLY H . . 5.500 5.393 5.235 5.500 0.000 9 0 "[ . 1 . 2]" 1
190 1 14 PHE QE 1 18 GLU HA . . 5.500 4.883 4.443 5.068 . 0 0 "[ . 1 . 2]" 1
191 1 14 PHE QE 1 19 ALA MB . . 5.500 4.834 4.321 5.295 . 0 0 "[ . 1 . 2]" 1
192 1 15 TYR H 1 15 TYR QB . . 3.250 2.103 2.098 2.114 . 0 0 "[ . 1 . 2]" 1
193 1 15 TYR H 1 15 TYR HB3 . . 3.020 3.009 2.980 3.020 0.000 9 0 "[ . 1 . 2]" 1
194 1 15 TYR H 1 15 TYR QD . . 4.010 3.939 3.914 3.960 . 0 0 "[ . 1 . 2]" 1
195 1 15 TYR H 1 16 ASP H . . 3.590 2.713 2.635 2.755 . 0 0 "[ . 1 . 2]" 1
196 1 15 TYR H 1 17 GLY H . . 5.080 4.324 4.126 4.648 . 0 0 "[ . 1 . 2]" 1
197 1 15 TYR HA 1 15 TYR QD . . 3.480 2.962 2.857 3.021 . 0 0 "[ . 1 . 2]" 1
198 1 15 TYR HA 1 15 TYR QE . . 5.310 4.481 4.433 4.511 . 0 0 "[ . 1 . 2]" 1
199 1 15 TYR HA 1 16 ASP H . . 3.500 3.485 3.464 3.500 . 0 0 "[ . 1 . 2]" 1
200 1 15 TYR HA 1 18 GLU H . . 5.500 4.634 4.354 4.817 . 0 0 "[ . 1 . 2]" 1
201 1 15 TYR HA 1 19 ALA H . . 5.000 4.240 3.899 4.500 . 0 0 "[ . 1 . 2]" 1
202 1 15 TYR QB 1 16 ASP H . . 3.330 2.843 2.778 2.918 . 0 0 "[ . 1 . 2]" 1
203 1 15 TYR HB2 1 16 ASP H . . 3.820 3.665 3.612 3.715 . 0 0 "[ . 1 . 2]" 1
204 1 15 TYR HB3 1 16 ASP H . . 3.820 2.962 2.883 3.054 . 0 0 "[ . 1 . 2]" 1
205 1 15 TYR QD 1 16 ASP H . . 4.860 4.353 4.281 4.422 . 0 0 "[ . 1 . 2]" 1
206 1 15 TYR QD 1 16 ASP HA . . 4.790 4.019 3.935 4.129 . 0 0 "[ . 1 . 2]" 1
207 1 15 TYR QD 1 17 GLY H . . 5.230 5.167 4.994 5.230 0.000 9 0 "[ . 1 . 2]" 1
208 1 15 TYR QD 1 19 ALA MB . . 4.670 3.359 2.885 3.728 . 0 0 "[ . 1 . 2]" 1
209 1 15 TYR QE 1 19 ALA MB . . 4.860 3.740 3.225 4.093 . 0 0 "[ . 1 . 2]" 1
210 1 16 ASP H 1 16 ASP HB2 . . 3.770 2.484 2.345 2.631 . 0 0 "[ . 1 . 2]" 1
211 1 16 ASP H 1 16 ASP QB . . 3.270 2.412 2.316 2.555 . 0 0 "[ . 1 . 2]" 1
212 1 16 ASP H 1 16 ASP HB3 . . 3.770 3.394 2.886 3.732 . 0 0 "[ . 1 . 2]" 1
213 1 16 ASP H 1 17 GLY H . . 3.540 2.723 2.583 2.936 . 0 0 "[ . 1 . 2]" 1
214 1 16 ASP H 1 17 GLY QA . . 4.270 4.088 4.032 4.180 . 0 0 "[ . 1 . 2]" 1
215 1 16 ASP H 1 18 GLU H . . 4.830 4.812 4.769 4.831 0.001 9 0 "[ . 1 . 2]" 1
216 1 16 ASP HA 1 17 GLY H . . 3.600 2.917 2.765 2.981 . 0 0 "[ . 1 . 2]" 1
217 1 16 ASP HA 1 18 GLU H . . 5.160 4.865 4.800 5.086 . 0 0 "[ . 1 . 2]" 1
218 1 16 ASP HA 1 19 ALA H . . 5.500 4.687 4.350 5.085 . 0 0 "[ . 1 . 2]" 1
219 1 16 ASP QB 1 17 GLY H . . 3.900 3.789 3.740 3.880 . 0 0 "[ . 1 . 2]" 1
220 1 16 ASP HB2 1 17 GLY H . . 4.490 4.252 4.039 4.485 . 0 0 "[ . 1 . 2]" 1
221 1 16 ASP HB3 1 17 GLY H . . 4.490 4.290 4.059 4.481 . 0 0 "[ . 1 . 2]" 1
222 1 17 GLY H 1 17 GLY QA . . 2.750 2.360 2.329 2.420 . 0 0 "[ . 1 . 2]" 1
223 1 17 GLY H 1 18 GLU H . . 3.030 2.281 2.148 2.425 . 0 0 "[ . 1 . 2]" 1
224 1 17 GLY H 1 19 ALA H . . 3.510 3.342 3.017 3.511 0.001 9 0 "[ . 1 . 2]" 1
225 1 17 GLY QA 1 18 GLU H . . 2.770 2.564 2.492 2.608 . 0 0 "[ . 1 . 2]" 1
226 1 17 GLY QA 1 19 ALA H . . 5.500 4.426 4.247 4.597 . 0 0 "[ . 1 . 2]" 1
227 1 17 GLY QA 1 20 GLY H . . 5.500 4.012 3.907 4.110 . 0 0 "[ . 1 . 2]" 1
228 1 18 GLU H 1 18 GLU HB2 . . 3.490 2.470 2.144 2.755 . 0 0 "[ . 1 . 2]" 1
229 1 18 GLU H 1 18 GLU QB . . 3.020 2.273 2.120 2.327 . 0 0 "[ . 1 . 2]" 1
230 1 18 GLU H 1 18 GLU HB3 . . 3.490 2.833 2.488 3.477 . 0 0 "[ . 1 . 2]" 1
231 1 18 GLU H 1 18 GLU QG . . 4.230 3.890 3.130 4.092 . 0 0 "[ . 1 . 2]" 1
232 1 18 GLU H 1 19 ALA H . . 2.960 2.388 2.288 2.539 . 0 0 "[ . 1 . 2]" 1
233 1 18 GLU HA 1 18 GLU QG . . 3.680 2.404 2.038 2.780 . 0 0 "[ . 1 . 2]" 1
234 1 18 GLU HA 1 19 ALA H . . 3.800 3.552 3.527 3.568 . 0 0 "[ . 1 . 2]" 1
235 1 18 GLU HA 1 21 ARG H . . 4.100 3.937 3.710 4.097 . 0 0 "[ . 1 . 2]" 1
236 1 18 GLU HB2 1 19 ALA H . . 3.830 3.459 2.682 3.783 . 0 0 "[ . 1 . 2]" 1
237 1 18 GLU HB3 1 19 ALA H . . 3.830 2.559 2.286 3.074 . 0 0 "[ . 1 . 2]" 1
238 1 18 GLU QG 1 19 ALA H . . 5.170 3.980 3.433 4.389 . 0 0 "[ . 1 . 2]" 1
239 1 19 ALA H 1 19 ALA MB . . 3.130 2.090 2.032 2.234 . 0 0 "[ . 1 . 2]" 1
240 1 19 ALA H 1 20 GLY H . . 4.450 2.558 2.367 2.650 . 0 0 "[ . 1 . 2]" 1
241 1 19 ALA H 1 20 GLY QA . . 4.700 4.429 4.264 4.513 . 0 0 "[ . 1 . 2]" 1
242 1 19 ALA H 1 21 ARG H . . 4.500 4.340 4.198 4.452 . 0 0 "[ . 1 . 2]" 1
243 1 19 ALA HA 1 20 GLY H . . 3.460 3.463 3.461 3.463 0.003 6 0 "[ . 1 . 2]" 1
244 1 19 ALA HA 1 22 ALA H . . 3.740 3.136 2.913 3.373 . 0 0 "[ . 1 . 2]" 1
245 1 19 ALA MB 1 20 GLY H . . 3.540 2.946 2.878 2.977 . 0 0 "[ . 1 . 2]" 1
246 1 19 ALA MB 1 21 ARG H . . 4.920 4.476 4.325 4.730 . 0 0 "[ . 1 . 2]" 1
247 1 19 ALA MB 1 22 ALA H . . 4.480 4.379 4.076 4.465 . 0 0 "[ . 1 . 2]" 1
248 1 19 ALA MB 1 23 ILE H . . 5.420 4.896 4.271 5.287 . 0 0 "[ . 1 . 2]" 1
249 1 19 ALA MB 1 23 ILE MD . . 4.530 3.827 3.297 4.236 . 0 0 "[ . 1 . 2]" 1
250 1 19 ALA MB 1 23 ILE QG . . 3.010 2.699 2.250 3.002 . 0 0 "[ . 1 . 2]" 1
251 1 19 ALA MB 1 23 ILE MG . . 3.780 3.191 2.646 3.644 . 0 0 "[ . 1 . 2]" 1
252 1 20 GLY H 1 20 GLY QA . . 2.730 2.195 2.191 2.200 . 0 0 "[ . 1 . 2]" 1
253 1 20 GLY H 1 21 ARG H . . 3.280 2.715 2.645 2.794 . 0 0 "[ . 1 . 2]" 1
254 1 20 GLY QA 1 21 ARG H . . 3.330 2.805 2.692 2.864 . 0 0 "[ . 1 . 2]" 1
255 1 21 ARG H 1 21 ARG QB . . 3.510 2.295 2.199 2.493 . 0 0 "[ . 1 . 2]" 1
256 1 21 ARG H 1 21 ARG QD . . 5.090 4.529 4.072 4.909 . 0 0 "[ . 1 . 2]" 1
257 1 21 ARG H 1 21 ARG QG . . 4.070 3.785 2.258 4.051 . 0 0 "[ . 1 . 2]" 1
258 1 21 ARG H 1 22 ALA H . . 2.940 2.352 1.974 2.634 . 0 0 "[ . 1 . 2]" 1
259 1 21 ARG HA 1 21 ARG QD . . 4.020 3.591 2.046 4.008 . 0 0 "[ . 1 . 2]" 1
260 1 21 ARG HA 1 21 ARG QG . . 3.640 2.521 2.261 3.369 . 0 0 "[ . 1 . 2]" 1
261 1 21 ARG HA 1 22 ALA H . . 4.300 3.513 3.466 3.560 . 0 0 "[ . 1 . 2]" 1
262 1 21 ARG QB 1 21 ARG QD . . 3.250 2.201 1.966 2.790 . 0 0 "[ . 1 . 2]" 1
263 1 21 ARG QB 1 21 ARG HE . . 3.640 2.918 1.982 3.534 . 0 0 "[ . 1 . 2]" 1
264 1 21 ARG QD 1 22 ALA MB . . 4.600 3.955 2.359 4.579 . 0 0 "[ . 1 . 2]" 1
265 1 21 ARG QG 1 22 ALA H . . 4.250 3.821 2.112 4.248 . 0 0 "[ . 1 . 2]" 1
266 1 22 ALA H 1 22 ALA MB . . 3.460 2.797 2.705 2.903 . 0 0 "[ . 1 . 2]" 1
267 1 22 ALA H 1 23 ILE H . . 4.170 3.957 3.662 4.153 . 0 0 "[ . 1 . 2]" 1
268 1 22 ALA HA 1 23 ILE H . . 3.460 2.151 2.141 2.183 . 0 0 "[ . 1 . 2]" 1
269 1 22 ALA MB 1 23 ILE H . . 3.480 3.233 2.996 3.414 . 0 0 "[ . 1 . 2]" 1
270 1 23 ILE H 1 23 ILE HB . . 3.070 2.602 2.546 2.638 . 0 0 "[ . 1 . 2]" 1
271 1 23 ILE H 1 23 ILE MD . . 4.560 3.288 1.986 3.877 . 0 0 "[ . 1 . 2]" 1
272 1 23 ILE H 1 23 ILE HG12 . . 4.020 3.578 3.202 3.992 . 0 0 "[ . 1 . 2]" 1
273 1 23 ILE H 1 23 ILE QG . . 3.470 2.328 1.941 2.941 . 0 0 "[ . 1 . 2]" 1
274 1 23 ILE H 1 23 ILE HG13 . . 4.020 2.362 1.957 3.027 . 0 0 "[ . 1 . 2]" 1
275 1 23 ILE H 1 23 ILE MG . . 4.200 3.801 3.770 3.845 . 0 0 "[ . 1 . 2]" 1
276 1 23 ILE H 1 24 ARG H . . 3.300 2.516 2.119 2.879 . 0 0 "[ . 1 . 2]" 1
277 1 23 ILE HA 1 23 ILE MD . . 4.240 3.799 3.504 3.873 . 0 0 "[ . 1 . 2]" 1
278 1 23 ILE HA 1 23 ILE HG12 . . 3.760 2.812 2.563 3.534 . 0 0 "[ . 1 . 2]" 1
279 1 23 ILE HA 1 23 ILE QG . . 3.170 2.457 2.405 2.495 . 0 0 "[ . 1 . 2]" 1
280 1 23 ILE HA 1 23 ILE HG13 . . 3.760 2.933 2.447 3.161 . 0 0 "[ . 1 . 2]" 1
281 1 23 ILE HA 1 23 ILE MG . . 3.470 2.340 2.267 2.378 . 0 0 "[ . 1 . 2]" 1
282 1 23 ILE HA 1 24 ARG H . . 3.700 3.561 3.523 3.572 . 0 0 "[ . 1 . 2]" 1
283 1 23 ILE HA 1 24 ARG QD . . 4.340 4.208 3.847 4.333 . 0 0 "[ . 1 . 2]" 1
284 1 23 ILE HB 1 23 ILE MD . . 3.590 2.288 2.071 2.436 . 0 0 "[ . 1 . 2]" 1
285 1 23 ILE HB 1 24 ARG H . . 2.910 2.281 1.967 2.690 . 0 0 "[ . 1 . 2]" 1
286 1 23 ILE HB 1 24 ARG HA . . 4.600 4.502 4.404 4.583 . 0 0 "[ . 1 . 2]" 1
287 1 23 ILE HB 1 24 ARG QD . . 3.610 2.574 1.961 3.604 . 0 0 "[ . 1 . 2]" 1
288 1 23 ILE QG 1 24 ARG H . . 5.320 3.873 3.700 4.155 . 0 0 "[ . 1 . 2]" 1
289 1 23 ILE QG 1 24 ARG QD . . 5.190 4.258 3.805 5.004 . 0 0 "[ . 1 . 2]" 1
290 1 23 ILE MG 1 24 ARG H . . 4.210 3.329 3.068 3.686 . 0 0 "[ . 1 . 2]" 1
291 1 23 ILE MG 1 24 ARG HE . . 5.500 3.879 2.054 4.749 . 0 0 "[ . 1 . 2]" 1
292 1 23 ILE MG 1 24 ARG QG . . 4.300 3.880 2.895 4.191 . 0 0 "[ . 1 . 2]" 1
293 1 24 ARG H 1 24 ARG QB . . 3.130 2.701 2.302 3.121 . 0 0 "[ . 1 . 2]" 1
294 1 24 ARG H 1 24 ARG QD . . 4.800 2.765 2.099 3.588 . 0 0 "[ . 1 . 2]" 1
295 1 24 ARG H 1 25 ARG H . . 3.090 2.294 1.923 3.027 . 0 0 "[ . 1 . 2]" 1
296 1 24 ARG HA 1 24 ARG QD . . 3.770 3.088 2.073 3.751 . 0 0 "[ . 1 . 2]" 1
297 1 24 ARG HA 1 25 ARG H . . 3.900 3.282 2.590 3.572 . 0 0 "[ . 1 . 2]" 1
298 1 24 ARG QB 1 24 ARG QD . . 3.470 2.233 1.999 2.453 . 0 0 "[ . 1 . 2]" 1
299 1 24 ARG QB 1 24 ARG HE . . 4.590 3.434 2.351 4.401 . 0 0 "[ . 1 . 2]" 1
300 1 24 ARG QB 1 25 ARG H . . 4.180 3.189 2.206 4.031 . 0 0 "[ . 1 . 2]" 1
301 1 24 ARG QD 1 25 ARG H . . 5.500 4.367 3.298 4.955 . 0 0 "[ . 1 . 2]" 1
302 1 25 ARG H 1 25 ARG QB . . 3.600 2.567 2.083 3.202 . 0 0 "[ . 1 . 2]" 1
303 1 25 ARG H 1 25 ARG QD . . 5.500 4.176 3.685 4.813 . 0 0 "[ . 1 . 2]" 1
304 1 25 ARG H 1 25 ARG QG . . 3.940 3.121 2.066 3.932 . 0 0 "[ . 1 . 2]" 1
305 1 25 ARG HA 1 25 ARG HE . . 4.810 4.252 2.985 4.801 . 0 0 "[ . 1 . 2]" 1
306 1 25 ARG QB 1 25 ARG HE . . 4.270 3.028 1.931 3.963 . 0 0 "[ . 1 . 2]" 1
307 1 25 ARG HB2 1 25 ARG HE . . 4.990 3.704 1.953 4.536 . 0 0 "[ . 1 . 2]" 1
308 1 25 ARG HB3 1 25 ARG HE . . 4.990 3.550 2.088 4.988 . 0 0 "[ . 1 . 2]" 1
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