NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
596532 |
2n8g   |
25849 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n8g
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 1029
_Distance_constraint_stats_list.Viol_count 2247
_Distance_constraint_stats_list.Viol_total 3654.559
_Distance_constraint_stats_list.Viol_max 0.980
_Distance_constraint_stats_list.Viol_rms 0.0388
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0089
_Distance_constraint_stats_list.Viol_average_violations_only 0.0813
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 GLY 0.780 0.091 19 0 "[ . 1 . 2]"
1 5 GLY 0.990 0.091 19 0 "[ . 1 . 2]"
1 6 LYS 0.366 0.084 8 0 "[ . 1 . 2]"
1 7 SER 0.156 0.084 8 0 "[ . 1 . 2]"
1 8 ARG 0.089 0.089 13 0 "[ . 1 . 2]"
1 9 ARG 0.089 0.089 13 0 "[ . 1 . 2]"
1 10 ARG 0.063 0.063 9 0 "[ . 1 . 2]"
1 11 ARG 0.414 0.092 7 0 "[ . 1 . 2]"
1 12 THR 4.306 0.163 14 0 "[ . 1 . 2]"
1 13 ALA 3.259 0.163 14 0 "[ . 1 . 2]"
1 14 PHE 12.622 0.126 7 0 "[ . 1 . 2]"
1 15 THR 5.266 0.111 3 0 "[ . 1 . 2]"
1 16 SER 4.337 0.111 3 0 "[ . 1 . 2]"
1 17 GLU 0.287 0.056 6 0 "[ . 1 . 2]"
1 18 GLN 3.817 0.980 4 1 "[ +. 1 . 2]"
1 19 LEU 6.947 0.277 8 0 "[ . 1 . 2]"
1 20 LEU 6.360 0.964 4 3 "[ +. * 1- . 2]"
1 21 GLU 7.212 0.980 4 3 "[ +. * 1- . 2]"
1 22 LEU 7.295 0.418 16 0 "[ . 1 . 2]"
1 23 ARG 4.586 0.646 19 1 "[ . 1 . +2]"
1 24 LYS 2.471 0.095 11 0 "[ . 1 . 2]"
1 25 GLU 1.914 0.418 16 0 "[ . 1 . 2]"
1 26 PHE 5.551 0.691 5 2 "[ + 1 . -2]"
1 27 HIS 0.441 0.085 13 0 "[ . 1 . 2]"
1 28 CYS 0.088 0.088 18 0 "[ . 1 . 2]"
1 29 LYS 2.726 0.301 18 0 "[ . 1 . 2]"
1 30 LYS 1.464 0.095 5 0 "[ . 1 . 2]"
1 31 TYR 2.796 0.301 18 0 "[ . 1 . 2]"
1 32 LEU 7.121 0.709 19 3 "[ .- 1 * +2]"
1 33 SER 2.310 0.833 16 2 "[ . - 1 .+ 2]"
1 34 LEU 4.762 0.833 16 2 "[ . - 1 .+ 2]"
1 35 THR 2.795 0.104 16 0 "[ . 1 . 2]"
1 36 GLU 3.571 0.104 16 0 "[ . 1 . 2]"
1 37 ARG 8.860 0.709 19 3 "[ .- 1 * +2]"
1 38 SER 3.706 0.464 11 0 "[ . 1 . 2]"
1 39 GLN 4.420 0.108 19 0 "[ . 1 . 2]"
1 40 ILE 6.254 0.140 6 0 "[ . 1 . 2]"
1 41 ALA 4.811 0.117 4 0 "[ . 1 . 2]"
1 42 HIS 2.492 0.089 11 0 "[ . 1 . 2]"
1 43 ALA 2.893 0.121 12 0 "[ . 1 . 2]"
1 44 LEU 3.825 0.295 8 0 "[ . 1 . 2]"
1 45 LYS 3.978 0.093 4 0 "[ . 1 . 2]"
1 46 LEU 8.388 0.140 15 0 "[ . 1 . 2]"
1 47 SER 8.462 0.700 16 4 "[ * 1 * .+ -]"
1 48 GLU 1.842 0.634 18 1 "[ . 1 . + 2]"
1 49 VAL 3.957 0.634 18 1 "[ . 1 . + 2]"
1 50 GLN 9.774 0.687 11 3 "[ . 1+ - * 2]"
1 51 VAL 4.432 0.700 16 4 "[ * 1 * .+ -]"
1 52 LYS 6.986 0.421 15 0 "[ . 1 . 2]"
1 53 ILE 14.276 0.368 19 0 "[ . 1 . 2]"
1 54 TRP 9.665 0.368 19 0 "[ . 1 . 2]"
1 55 PHE 1.609 0.090 6 0 "[ . 1 . 2]"
1 56 GLN 14.130 0.528 11 3 "[ * . 1+ . - 2]"
1 57 ASN 7.696 0.094 5 0 "[ . 1 . 2]"
1 58 GLU 5.794 0.691 5 1 "[ + 1 . 2]"
1 59 ARG 4.864 0.528 11 3 "[ * . 1+ . - 2]"
1 60 ALA 6.803 0.157 11 0 "[ . 1 . 2]"
1 61 LYS 13.750 0.665 5 5 "[** + 1 . -*]"
1 62 TRP 9.168 0.877 18 1 "[ . 1 . + 2]"
1 63 LYS 7.339 0.877 18 1 "[ . 1 . + 2]"
1 64 ARG 3.305 0.100 1 0 "[ . 1 . 2]"
1 65 ILE 10.221 0.857 14 1 "[ . 1 +. 2]"
1 66 LYS 5.354 0.857 14 1 "[ . 1 +. 2]"
1 67 ALA 4.934 0.118 9 0 "[ . 1 . 2]"
1 68 GLY 0.986 0.078 9 0 "[ . 1 . 2]"
1 69 ASN 4.500 0.113 7 0 "[ . 1 . 2]"
1 70 VAL 2.219 0.101 8 0 "[ . 1 . 2]"
1 71 SER 1.816 0.093 3 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 GLY H 1 5 GLY H . . 5.270 2.980 1.973 4.259 . 0 0 "[ . 1 . 2]" 1
2 1 4 GLY H 1 5 GLY QA . . 4.110 3.997 3.435 4.201 0.091 19 0 "[ . 1 . 2]" 1
3 1 5 GLY QA 1 6 LYS HA . . 4.090 4.027 3.861 4.146 0.056 20 0 "[ . 1 . 2]" 1
4 1 6 LYS HA 1 7 SER H . . 3.370 2.607 2.170 3.454 0.084 8 0 "[ . 1 . 2]" 1
5 1 8 ARG HA 1 9 ARG H . . 3.140 2.495 2.067 3.229 0.089 13 0 "[ . 1 . 2]" 1
6 1 10 ARG HA 1 11 ARG H . . 3.090 2.542 2.085 3.153 0.063 9 0 "[ . 1 . 2]" 1
7 1 11 ARG H 1 12 THR H . . 4.820 3.992 2.025 4.683 . 0 0 "[ . 1 . 2]" 1
8 1 11 ARG HA 1 12 THR H . . 3.030 2.517 2.132 3.122 0.092 7 0 "[ . 1 . 2]" 1
9 1 11 ARG HA 1 12 THR MG . . 5.500 5.316 4.204 5.574 0.074 17 0 "[ . 1 . 2]" 1
10 1 12 THR H 1 12 THR HB . . 3.820 2.887 2.402 3.689 . 0 0 "[ . 1 . 2]" 1
11 1 12 THR HA 1 12 THR HB . . 2.900 2.950 2.557 2.992 0.092 16 0 "[ . 1 . 2]" 1
12 1 12 THR HA 1 12 THR MG . . 3.290 2.328 2.132 3.248 . 0 0 "[ . 1 . 2]" 1
13 1 12 THR HA 1 13 ALA H . . 2.860 2.561 2.297 2.921 0.061 14 0 "[ . 1 . 2]" 1
14 1 12 THR HA 1 13 ALA MB . . 4.620 4.042 3.317 4.238 . 0 0 "[ . 1 . 2]" 1
15 1 12 THR HA 1 14 PHE H . . 5.220 5.035 4.438 5.305 0.085 16 0 "[ . 1 . 2]" 1
16 1 12 THR HB 1 13 ALA H . . 3.880 3.320 2.358 3.967 0.087 14 0 "[ . 1 . 2]" 1
17 1 12 THR HB 1 13 ALA MB . . 5.240 4.646 3.716 5.193 . 0 0 "[ . 1 . 2]" 1
18 1 12 THR HB 1 14 PHE H . . 4.970 4.484 3.473 5.050 0.080 18 0 "[ . 1 . 2]" 1
19 1 12 THR HB 1 14 PHE QE . . 5.300 2.857 2.149 5.293 . 0 0 "[ . 1 . 2]" 1
20 1 12 THR MG 1 13 ALA H . . 4.760 2.273 1.809 4.180 . 0 0 "[ . 1 . 2]" 1
21 1 12 THR MG 1 13 ALA HA . . 5.330 4.488 4.087 5.367 0.037 3 0 "[ . 1 . 2]" 1
22 1 12 THR MG 1 13 ALA MB . . 3.250 3.283 2.925 3.413 0.163 14 0 "[ . 1 . 2]" 1
23 1 12 THR MG 1 14 PHE H . . 5.450 4.713 2.675 5.287 . 0 0 "[ . 1 . 2]" 1
24 1 13 ALA H 1 13 ALA MB . . 3.460 2.256 2.098 2.841 . 0 0 "[ . 1 . 2]" 1
25 1 13 ALA HA 1 14 PHE H . . 2.680 2.388 2.094 2.765 0.085 19 0 "[ . 1 . 2]" 1
26 1 13 ALA HA 1 14 PHE HA . . 4.510 4.494 4.326 4.584 0.074 3 0 "[ . 1 . 2]" 1
27 1 13 ALA HA 1 14 PHE HB2 . . 5.380 4.787 4.407 5.244 . 0 0 "[ . 1 . 2]" 1
28 1 13 ALA HA 1 14 PHE HD1 . . 4.970 4.363 4.082 4.844 . 0 0 "[ . 1 . 2]" 1
29 1 13 ALA MB 1 14 PHE H . . 3.640 3.638 3.469 3.738 0.098 5 0 "[ . 1 . 2]" 1
30 1 13 ALA MB 1 14 PHE HA . . 4.950 4.319 4.155 4.471 . 0 0 "[ . 1 . 2]" 1
31 1 13 ALA MB 1 14 PHE HD1 . . 5.500 4.153 3.636 4.487 . 0 0 "[ . 1 . 2]" 1
32 1 14 PHE H 1 14 PHE HB2 . . 3.030 2.444 2.283 2.698 . 0 0 "[ . 1 . 2]" 1
33 1 14 PHE H 1 14 PHE HB3 . . 3.790 3.610 3.484 3.735 . 0 0 "[ . 1 . 2]" 1
34 1 14 PHE H 1 14 PHE HD1 . . 4.010 3.037 2.568 3.353 . 0 0 "[ . 1 . 2]" 1
35 1 14 PHE H 1 15 THR H . . 4.320 4.363 4.169 4.410 0.090 5 0 "[ . 1 . 2]" 1
36 1 14 PHE H 1 19 LEU QD . . 4.860 3.860 3.259 4.418 . 0 0 "[ . 1 . 2]" 1
37 1 14 PHE H 1 19 LEU HG . . 5.200 5.062 4.621 5.284 0.084 9 0 "[ . 1 . 2]" 1
38 1 14 PHE HA 1 14 PHE HD1 . . 3.810 2.935 2.397 3.215 . 0 0 "[ . 1 . 2]" 1
39 1 14 PHE HA 1 14 PHE HD2 . . 4.480 4.106 3.772 4.461 . 0 0 "[ . 1 . 2]" 1
40 1 14 PHE HA 1 15 THR H . . 3.000 2.225 2.068 2.388 . 0 0 "[ . 1 . 2]" 1
41 1 14 PHE HA 1 15 THR HA . . 4.440 4.473 4.436 4.501 0.061 1 0 "[ . 1 . 2]" 1
42 1 14 PHE HA 1 15 THR MG . . 3.910 3.950 3.678 3.993 0.083 5 0 "[ . 1 . 2]" 1
43 1 14 PHE HA 1 18 GLN H . . 5.370 5.328 5.113 5.452 0.082 18 0 "[ . 1 . 2]" 1
44 1 14 PHE HA 1 18 GLN HB2 . . 4.040 3.357 3.006 3.842 . 0 0 "[ . 1 . 2]" 1
45 1 14 PHE HA 1 18 GLN HB3 . . 4.690 4.324 3.835 4.771 0.081 13 0 "[ . 1 . 2]" 1
46 1 14 PHE HA 1 46 LEU MD2 . . 4.620 3.740 3.295 4.217 . 0 0 "[ . 1 . 2]" 1
47 1 14 PHE HB2 1 15 THR H . . 4.500 4.308 4.125 4.480 . 0 0 "[ . 1 . 2]" 1
48 1 14 PHE HB2 1 19 LEU QD . . 3.700 2.514 2.243 3.061 . 0 0 "[ . 1 . 2]" 1
49 1 14 PHE HB2 1 19 LEU HG . . 4.040 3.130 2.558 3.491 . 0 0 "[ . 1 . 2]" 1
50 1 14 PHE HB3 1 15 THR H . . 3.770 3.287 3.006 3.613 . 0 0 "[ . 1 . 2]" 1
51 1 14 PHE HB3 1 18 GLN H . . 5.100 4.600 4.343 4.816 . 0 0 "[ . 1 . 2]" 1
52 1 14 PHE HB3 1 18 GLN HB2 . . 4.150 2.469 2.241 2.773 . 0 0 "[ . 1 . 2]" 1
53 1 14 PHE HB3 1 18 GLN HB3 . . 4.690 3.737 3.364 4.236 . 0 0 "[ . 1 . 2]" 1
54 1 14 PHE HB3 1 19 LEU H . . 4.470 3.790 3.560 4.163 . 0 0 "[ . 1 . 2]" 1
55 1 14 PHE HB3 1 19 LEU QD . . 3.780 2.672 1.914 3.194 . 0 0 "[ . 1 . 2]" 1
56 1 14 PHE HB3 1 19 LEU HG . . 2.790 2.538 2.166 2.882 0.092 18 0 "[ . 1 . 2]" 1
57 1 14 PHE HD1 1 22 LEU MD2 . . 5.240 5.307 5.011 5.366 0.126 7 0 "[ . 1 . 2]" 1
58 1 14 PHE HD1 1 46 LEU MD1 . . 3.820 3.867 3.336 3.917 0.097 6 0 "[ . 1 . 2]" 1
59 1 14 PHE HD1 1 46 LEU MD2 . . 3.360 3.438 3.327 3.460 0.100 8 0 "[ . 1 . 2]" 1
60 1 14 PHE HD1 1 54 TRP HD1 . . 4.490 4.308 3.365 4.580 0.090 12 0 "[ . 1 . 2]" 1
61 1 14 PHE HD2 1 18 GLN QG . . 5.500 4.798 4.472 5.214 . 0 0 "[ . 1 . 2]" 1
62 1 14 PHE HD2 1 19 LEU QD . . 3.520 3.128 2.635 3.516 . 0 0 "[ . 1 . 2]" 1
63 1 14 PHE HD2 1 19 LEU HG . . 5.100 3.710 3.256 4.201 . 0 0 "[ . 1 . 2]" 1
64 1 14 PHE HD2 1 22 LEU MD2 . . 3.940 2.158 2.014 2.509 . 0 0 "[ . 1 . 2]" 1
65 1 14 PHE HD2 1 46 LEU MD1 . . 3.780 3.230 2.874 3.874 0.094 17 0 "[ . 1 . 2]" 1
66 1 14 PHE HD2 1 54 TRP HD1 . . 4.400 4.018 3.446 4.463 0.063 4 0 "[ . 1 . 2]" 1
67 1 14 PHE QE 1 46 LEU MD1 . . 5.500 2.576 2.360 3.492 . 0 0 "[ . 1 . 2]" 1
68 1 14 PHE QE 1 50 GLN HA . . 5.320 3.987 3.554 4.306 . 0 0 "[ . 1 . 2]" 1
69 1 14 PHE QE 1 50 GLN HB2 . . 5.050 3.852 3.533 4.281 . 0 0 "[ . 1 . 2]" 1
70 1 14 PHE QE 1 50 GLN HB3 . . 4.010 2.414 2.152 2.724 . 0 0 "[ . 1 . 2]" 1
71 1 14 PHE QE 1 51 VAL QG . . 5.190 3.035 2.554 3.915 . 0 0 "[ . 1 . 2]" 1
72 1 14 PHE QE 1 54 TRP H . . 4.870 4.499 3.987 4.897 0.027 10 0 "[ . 1 . 2]" 1
73 1 14 PHE QE 1 54 TRP HB2 . . 4.270 3.108 2.366 3.548 . 0 0 "[ . 1 . 2]" 1
74 1 14 PHE QE 1 54 TRP HB3 . . 4.710 3.481 2.502 3.994 . 0 0 "[ . 1 . 2]" 1
75 1 14 PHE QE 1 54 TRP HD1 . . 5.030 3.719 2.981 4.033 . 0 0 "[ . 1 . 2]" 1
76 1 15 THR H 1 15 THR MG . . 3.000 2.606 2.404 2.993 . 0 0 "[ . 1 . 2]" 1
77 1 15 THR H 1 18 GLN H . . 3.980 3.718 3.338 3.973 . 0 0 "[ . 1 . 2]" 1
78 1 15 THR H 1 18 GLN HB2 . . 3.710 2.915 2.354 3.783 0.073 14 0 "[ . 1 . 2]" 1
79 1 15 THR H 1 18 GLN HB3 . . 4.740 4.237 3.807 4.717 . 0 0 "[ . 1 . 2]" 1
80 1 15 THR H 1 18 GLN QG . . 5.330 2.670 1.953 3.065 . 0 0 "[ . 1 . 2]" 1
81 1 15 THR H 1 19 LEU QD . . 5.500 4.305 3.091 4.888 . 0 0 "[ . 1 . 2]" 1
82 1 15 THR HA 1 15 THR HB . . 2.850 2.505 2.361 2.621 . 0 0 "[ . 1 . 2]" 1
83 1 15 THR HA 1 15 THR MG . . 3.100 2.305 2.187 2.367 . 0 0 "[ . 1 . 2]" 1
84 1 15 THR HA 1 16 SER H . . 3.020 2.486 2.298 2.640 . 0 0 "[ . 1 . 2]" 1
85 1 15 THR HA 1 16 SER HA . . 4.500 4.262 4.106 4.390 . 0 0 "[ . 1 . 2]" 1
86 1 15 THR HA 1 17 GLU H . . 4.920 4.450 4.144 4.759 . 0 0 "[ . 1 . 2]" 1
87 1 15 THR HA 1 18 GLN H . . 5.460 4.792 4.665 5.058 . 0 0 "[ . 1 . 2]" 1
88 1 15 THR HB 1 16 SER H . . 3.060 2.334 2.038 2.617 . 0 0 "[ . 1 . 2]" 1
89 1 15 THR HB 1 16 SER QB . . 4.140 4.200 3.950 4.251 0.111 3 0 "[ . 1 . 2]" 1
90 1 15 THR HB 1 17 GLU H . . 3.480 2.974 2.618 3.161 . 0 0 "[ . 1 . 2]" 1
91 1 15 THR HB 1 17 GLU QB . . 4.070 3.754 2.611 4.062 . 0 0 "[ . 1 . 2]" 1
92 1 15 THR HB 1 18 GLN H . . 4.090 4.072 3.821 4.167 0.077 14 0 "[ . 1 . 2]" 1
93 1 15 THR HB 1 18 GLN QG . . 4.000 3.945 3.624 4.012 0.012 1 0 "[ . 1 . 2]" 1
94 1 15 THR MG 1 16 SER H . . 4.300 3.607 3.386 3.750 . 0 0 "[ . 1 . 2]" 1
95 1 15 THR MG 1 17 GLU H . . 5.380 4.522 4.270 4.714 . 0 0 "[ . 1 . 2]" 1
96 1 15 THR MG 1 18 GLN H . . 5.140 4.772 4.645 5.017 . 0 0 "[ . 1 . 2]" 1
97 1 15 THR MG 1 18 GLN HE22 . . 5.000 4.808 4.324 5.093 0.093 17 0 "[ . 1 . 2]" 1
98 1 15 THR MG 1 18 GLN QG . . 5.120 3.836 3.543 3.996 . 0 0 "[ . 1 . 2]" 1
99 1 16 SER H 1 16 SER QB . . 3.640 2.395 2.072 2.662 . 0 0 "[ . 1 . 2]" 1
100 1 16 SER H 1 17 GLU H . . 3.840 2.810 2.527 2.996 . 0 0 "[ . 1 . 2]" 1
101 1 16 SER H 1 17 GLU QB . . 5.500 4.557 3.802 5.007 . 0 0 "[ . 1 . 2]" 1
102 1 16 SER H 1 18 GLN H . . 5.190 4.373 4.174 4.582 . 0 0 "[ . 1 . 2]" 1
103 1 16 SER H 1 18 GLN QG . . 5.500 5.011 4.603 5.382 . 0 0 "[ . 1 . 2]" 1
104 1 16 SER H 1 19 LEU H . . 5.030 4.699 4.583 4.815 . 0 0 "[ . 1 . 2]" 1
105 1 16 SER HA 1 16 SER QB . . 2.400 2.222 2.098 2.381 . 0 0 "[ . 1 . 2]" 1
106 1 16 SER QB 1 17 GLU H . . 4.440 3.085 2.580 3.706 . 0 0 "[ . 1 . 2]" 1
107 1 16 SER QB 1 19 LEU H . . 4.520 4.612 4.515 4.630 0.110 11 0 "[ . 1 . 2]" 1
108 1 16 SER QB 1 19 LEU HB2 . . 3.870 3.895 3.649 3.965 0.095 3 0 "[ . 1 . 2]" 1
109 1 16 SER QB 1 19 LEU QD . . 4.160 3.652 3.116 4.170 0.010 14 0 "[ . 1 . 2]" 1
110 1 17 GLU H 1 17 GLU QB . . 3.510 2.246 1.804 2.588 . 0 0 "[ . 1 . 2]" 1
111 1 17 GLU H 1 17 GLU QG . . 4.140 2.936 1.920 3.778 . 0 0 "[ . 1 . 2]" 1
112 1 17 GLU H 1 18 GLN H . . 3.470 2.659 2.429 2.792 . 0 0 "[ . 1 . 2]" 1
113 1 17 GLU H 1 19 LEU H . . 5.420 3.903 3.659 4.160 . 0 0 "[ . 1 . 2]" 1
114 1 17 GLU H 1 20 LEU QD . . 5.500 5.090 4.540 5.422 . 0 0 "[ . 1 . 2]" 1
115 1 17 GLU HA 1 17 GLU QG . . 3.490 2.446 2.233 2.747 . 0 0 "[ . 1 . 2]" 1
116 1 17 GLU HA 1 19 LEU H . . 5.500 4.373 4.051 4.675 . 0 0 "[ . 1 . 2]" 1
117 1 17 GLU HA 1 20 LEU H . . 4.620 3.705 3.458 4.170 . 0 0 "[ . 1 . 2]" 1
118 1 17 GLU HA 1 20 LEU HB2 . . 3.260 2.920 2.610 3.313 0.053 6 0 "[ . 1 . 2]" 1
119 1 17 GLU HA 1 20 LEU QD . . 3.600 3.460 2.883 3.656 0.056 6 0 "[ . 1 . 2]" 1
120 1 17 GLU QB 1 18 GLN H . . 3.820 2.333 2.076 2.898 . 0 0 "[ . 1 . 2]" 1
121 1 17 GLU QB 1 18 GLN QG . . 3.360 2.635 2.273 2.979 . 0 0 "[ . 1 . 2]" 1
122 1 17 GLU QG 1 18 GLN H . . 4.920 3.905 3.318 4.508 . 0 0 "[ . 1 . 2]" 1
123 1 17 GLU QG 1 20 LEU QD . . 5.250 4.558 4.064 4.964 . 0 0 "[ . 1 . 2]" 1
124 1 18 GLN H 1 18 GLN HB2 . . 3.800 2.699 2.453 3.342 . 0 0 "[ . 1 . 2]" 1
125 1 18 GLN H 1 18 GLN HB3 . . 3.740 3.578 3.366 3.803 0.063 17 0 "[ . 1 . 2]" 1
126 1 18 GLN H 1 18 GLN QG . . 3.250 1.928 1.812 2.239 . 0 0 "[ . 1 . 2]" 1
127 1 18 GLN H 1 19 LEU H . . 3.480 2.487 2.192 2.731 . 0 0 "[ . 1 . 2]" 1
128 1 18 GLN H 1 19 LEU HB2 . . 4.890 4.580 4.284 4.823 . 0 0 "[ . 1 . 2]" 1
129 1 18 GLN H 1 44 LEU MD2 . . 5.500 4.103 3.513 4.919 . 0 0 "[ . 1 . 2]" 1
130 1 18 GLN HA 1 18 GLN HE21 . . 5.500 4.715 4.482 5.057 . 0 0 "[ . 1 . 2]" 1
131 1 18 GLN HA 1 18 GLN QG . . 3.630 2.650 2.517 3.180 . 0 0 "[ . 1 . 2]" 1
132 1 18 GLN HA 1 21 GLU H . . 4.440 3.951 3.491 4.376 . 0 0 "[ . 1 . 2]" 1
133 1 18 GLN HA 1 21 GLU HB2 . . 4.490 4.024 3.438 5.470 0.980 4 1 "[ +. 1 . 2]" 1
134 1 18 GLN HA 1 21 GLU HG3 . . 4.770 4.353 3.186 4.849 0.079 14 0 "[ . 1 . 2]" 1
135 1 18 GLN HA 1 22 LEU MD1 . . 4.860 3.907 3.355 4.457 . 0 0 "[ . 1 . 2]" 1
136 1 18 GLN HA 1 44 LEU MD1 . . 4.050 2.320 1.999 3.055 . 0 0 "[ . 1 . 2]" 1
137 1 18 GLN HA 1 44 LEU MD2 . . 3.580 2.135 1.951 2.562 . 0 0 "[ . 1 . 2]" 1
138 1 18 GLN HB2 1 19 LEU H . . 3.740 2.987 2.719 3.820 0.080 14 0 "[ . 1 . 2]" 1
139 1 18 GLN HB2 1 22 LEU MD2 . . 5.500 4.023 3.048 4.501 . 0 0 "[ . 1 . 2]" 1
140 1 18 GLN HB2 1 44 LEU MD1 . . 5.200 3.810 3.187 4.399 . 0 0 "[ . 1 . 2]" 1
141 1 18 GLN HB2 1 44 LEU MD2 . . 5.500 4.425 4.141 4.991 . 0 0 "[ . 1 . 2]" 1
142 1 18 GLN HB2 1 46 LEU MD2 . . 5.500 5.009 4.063 5.413 . 0 0 "[ . 1 . 2]" 1
143 1 18 GLN HB3 1 22 LEU MD2 . . 5.310 3.698 2.917 4.302 . 0 0 "[ . 1 . 2]" 1
144 1 18 GLN HE21 1 44 LEU HB3 . . 4.850 2.727 2.276 3.503 . 0 0 "[ . 1 . 2]" 1
145 1 18 GLN HE21 1 45 LYS HB3 . . 5.140 4.419 3.288 5.221 0.081 14 0 "[ . 1 . 2]" 1
146 1 18 GLN HE21 1 46 LEU H . . 5.500 4.497 4.024 5.325 . 0 0 "[ . 1 . 2]" 1
147 1 18 GLN HE21 1 46 LEU MD1 . . 4.570 3.066 2.609 4.400 . 0 0 "[ . 1 . 2]" 1
148 1 18 GLN HE21 1 46 LEU MD2 . . 4.530 4.002 3.276 4.631 0.101 13 0 "[ . 1 . 2]" 1
149 1 18 GLN HE21 1 46 LEU HG . . 4.170 2.878 2.160 3.810 . 0 0 "[ . 1 . 2]" 1
150 1 18 GLN HE22 1 45 LYS HB3 . . 5.120 4.547 2.967 5.194 0.074 11 0 "[ . 1 . 2]" 1
151 1 18 GLN HE22 1 46 LEU MD1 . . 5.500 3.123 2.803 3.596 . 0 0 "[ . 1 . 2]" 1
152 1 18 GLN HE22 1 46 LEU MD2 . . 3.700 3.045 2.497 3.641 . 0 0 "[ . 1 . 2]" 1
153 1 18 GLN HE22 1 46 LEU HG . . 4.450 2.560 2.200 2.812 . 0 0 "[ . 1 . 2]" 1
154 1 18 GLN QG 1 19 LEU H . . 5.500 3.819 3.468 4.017 . 0 0 "[ . 1 . 2]" 1
155 1 18 GLN QG 1 44 LEU HA . . 4.820 3.677 3.294 4.395 . 0 0 "[ . 1 . 2]" 1
156 1 18 GLN QG 1 44 LEU HB2 . . 5.110 4.383 3.298 4.971 . 0 0 "[ . 1 . 2]" 1
157 1 18 GLN QG 1 44 LEU HB3 . . 4.650 2.760 2.304 3.400 . 0 0 "[ . 1 . 2]" 1
158 1 18 GLN QG 1 44 LEU MD2 . . 4.240 2.792 2.279 3.785 . 0 0 "[ . 1 . 2]" 1
159 1 18 GLN QG 1 46 LEU MD1 . . 5.270 3.545 3.036 4.248 . 0 0 "[ . 1 . 2]" 1
160 1 19 LEU H 1 19 LEU HB2 . . 3.270 2.333 2.219 2.459 . 0 0 "[ . 1 . 2]" 1
161 1 19 LEU H 1 19 LEU HB3 . . 3.550 3.561 3.500 3.616 0.066 15 0 "[ . 1 . 2]" 1
162 1 19 LEU H 1 19 LEU QD . . 4.100 3.022 2.071 3.435 . 0 0 "[ . 1 . 2]" 1
163 1 19 LEU H 1 19 LEU HG . . 3.500 2.802 2.348 3.584 0.084 17 0 "[ . 1 . 2]" 1
164 1 19 LEU H 1 20 LEU H . . 3.380 2.588 2.351 2.732 . 0 0 "[ . 1 . 2]" 1
165 1 19 LEU HA 1 19 LEU QD . . 3.020 2.297 2.056 2.961 . 0 0 "[ . 1 . 2]" 1
166 1 19 LEU HA 1 19 LEU HG . . 4.120 2.831 2.350 3.170 . 0 0 "[ . 1 . 2]" 1
167 1 19 LEU HA 1 22 LEU HB2 . . 4.750 2.585 2.332 2.860 . 0 0 "[ . 1 . 2]" 1
168 1 19 LEU HA 1 22 LEU HB3 . . 3.700 3.736 3.361 3.977 0.277 8 0 "[ . 1 . 2]" 1
169 1 19 LEU HA 1 22 LEU MD1 . . 5.500 4.135 3.796 4.635 . 0 0 "[ . 1 . 2]" 1
170 1 19 LEU HA 1 22 LEU MD2 . . 3.920 2.780 2.233 3.908 . 0 0 "[ . 1 . 2]" 1
171 1 19 LEU HA 1 54 TRP HE1 . . 5.200 4.640 3.795 5.010 . 0 0 "[ . 1 . 2]" 1
172 1 19 LEU HB2 1 19 LEU QD . . 3.150 2.232 2.152 2.301 . 0 0 "[ . 1 . 2]" 1
173 1 19 LEU HB3 1 20 LEU H . . 3.980 4.027 3.814 4.077 0.097 7 0 "[ . 1 . 2]" 1
174 1 19 LEU HB3 1 20 LEU HA . . 5.040 4.366 4.077 4.666 . 0 0 "[ . 1 . 2]" 1
175 1 19 LEU QD 1 22 LEU MD2 . . 3.850 2.981 2.392 3.711 . 0 0 "[ . 1 . 2]" 1
176 1 19 LEU QD 1 23 ARG QD . . 4.660 3.644 2.536 4.305 . 0 0 "[ . 1 . 2]" 1
177 1 19 LEU QD 1 54 TRP HD1 . . 4.670 3.755 3.101 4.357 . 0 0 "[ . 1 . 2]" 1
178 1 19 LEU QD 1 54 TRP HE1 . . 3.440 2.173 1.789 2.698 . 0 0 "[ . 1 . 2]" 1
179 1 19 LEU QD 1 54 TRP HZ2 . . 3.950 2.267 2.032 2.781 . 0 0 "[ . 1 . 2]" 1
180 1 20 LEU H 1 20 LEU HB2 . . 3.080 2.227 1.997 2.469 . 0 0 "[ . 1 . 2]" 1
181 1 20 LEU H 1 20 LEU HB3 . . 3.130 2.922 2.621 3.191 0.061 14 0 "[ . 1 . 2]" 1
182 1 20 LEU H 1 20 LEU QD . . 4.470 3.549 2.942 3.868 . 0 0 "[ . 1 . 2]" 1
183 1 20 LEU H 1 21 GLU H . . 3.600 2.548 2.263 2.699 . 0 0 "[ . 1 . 2]" 1
184 1 20 LEU H 1 21 GLU HG2 . . 3.910 4.074 3.936 4.874 0.964 4 3 "[ +. * 1- . 2]" 1
185 1 20 LEU HA 1 20 LEU QD . . 3.210 2.180 1.910 2.716 . 0 0 "[ . 1 . 2]" 1
186 1 20 LEU HA 1 20 LEU HG . . 4.180 3.144 2.391 3.847 . 0 0 "[ . 1 . 2]" 1
187 1 20 LEU HA 1 23 ARG H . . 4.050 3.710 3.377 4.107 0.057 7 0 "[ . 1 . 2]" 1
188 1 20 LEU HA 1 23 ARG QB . . 3.490 3.221 2.805 3.581 0.091 6 0 "[ . 1 . 2]" 1
189 1 20 LEU HA 1 23 ARG QD . . 3.950 3.177 2.288 3.835 . 0 0 "[ . 1 . 2]" 1
190 1 20 LEU HB2 1 21 GLU H . . 3.930 3.205 2.876 3.477 . 0 0 "[ . 1 . 2]" 1
191 1 20 LEU HB3 1 20 LEU QD . . 2.890 2.317 2.111 2.559 . 0 0 "[ . 1 . 2]" 1
192 1 20 LEU HB3 1 21 GLU H . . 3.700 2.289 1.963 2.645 . 0 0 "[ . 1 . 2]" 1
193 1 20 LEU HB3 1 21 GLU HG2 . . 4.950 3.009 2.304 5.109 0.159 4 0 "[ . 1 . 2]" 1
194 1 20 LEU HB3 1 22 LEU H . . 4.720 4.751 4.544 4.804 0.084 18 0 "[ . 1 . 2]" 1
195 1 20 LEU QD 1 21 GLU H . . 5.090 3.576 3.281 3.924 . 0 0 "[ . 1 . 2]" 1
196 1 20 LEU QD 1 21 GLU HA . . 4.380 3.603 3.089 4.293 . 0 0 "[ . 1 . 2]" 1
197 1 20 LEU QD 1 23 ARG H . . 5.500 4.274 3.952 4.732 . 0 0 "[ . 1 . 2]" 1
198 1 20 LEU QD 1 23 ARG QD . . 4.650 3.845 3.295 4.632 . 0 0 "[ . 1 . 2]" 1
199 1 20 LEU HG 1 21 GLU H . . 5.380 4.685 4.097 4.925 . 0 0 "[ . 1 . 2]" 1
200 1 21 GLU H 1 21 GLU HB2 . . 3.450 2.610 2.230 3.369 . 0 0 "[ . 1 . 2]" 1
201 1 21 GLU H 1 21 GLU HB3 . . 3.650 3.475 2.026 3.625 . 0 0 "[ . 1 . 2]" 1
202 1 21 GLU H 1 21 GLU HG2 . . 3.680 2.078 1.868 3.374 . 0 0 "[ . 1 . 2]" 1
203 1 21 GLU H 1 21 GLU HG3 . . 3.750 3.299 2.271 3.588 . 0 0 "[ . 1 . 2]" 1
204 1 21 GLU H 1 22 LEU H . . 3.600 2.648 2.444 2.839 . 0 0 "[ . 1 . 2]" 1
205 1 21 GLU H 1 24 LYS H . . 5.450 4.826 4.657 5.125 . 0 0 "[ . 1 . 2]" 1
206 1 21 GLU H 1 44 LEU MD1 . . 5.360 4.060 3.339 4.610 . 0 0 "[ . 1 . 2]" 1
207 1 21 GLU H 1 44 LEU MD2 . . 4.880 3.756 3.185 4.493 . 0 0 "[ . 1 . 2]" 1
208 1 21 GLU HA 1 21 GLU HB2 . . 2.990 3.007 2.391 3.050 0.060 14 0 "[ . 1 . 2]" 1
209 1 21 GLU HA 1 21 GLU HG2 . . 4.130 3.238 2.515 4.218 0.088 4 0 "[ . 1 . 2]" 1
210 1 21 GLU HA 1 21 GLU HG3 . . 4.250 3.799 3.593 3.900 . 0 0 "[ . 1 . 2]" 1
211 1 21 GLU HA 1 44 LEU MD2 . . 5.500 4.984 4.433 5.422 . 0 0 "[ . 1 . 2]" 1
212 1 21 GLU HB2 1 22 LEU H . . 3.980 2.691 2.343 4.031 0.051 4 0 "[ . 1 . 2]" 1
213 1 21 GLU HB2 1 44 LEU MD2 . . 3.760 2.688 2.153 3.706 . 0 0 "[ . 1 . 2]" 1
214 1 21 GLU HB3 1 22 LEU H . . 4.200 3.758 3.505 4.188 . 0 0 "[ . 1 . 2]" 1
215 1 21 GLU HB3 1 44 LEU MD2 . . 3.590 3.568 2.744 3.689 0.099 10 0 "[ . 1 . 2]" 1
216 1 21 GLU HG2 1 22 LEU H . . 5.500 4.093 3.638 4.494 . 0 0 "[ . 1 . 2]" 1
217 1 21 GLU HG2 1 44 LEU MD2 . . 3.380 2.768 1.899 3.675 0.295 8 0 "[ . 1 . 2]" 1
218 1 21 GLU HG3 1 22 LEU H . . 5.280 4.647 1.931 5.114 . 0 0 "[ . 1 . 2]" 1
219 1 21 GLU HG3 1 44 LEU MD2 . . 3.980 2.286 2.113 3.028 . 0 0 "[ . 1 . 2]" 1
220 1 22 LEU H 1 22 LEU HB3 . . 3.740 3.418 3.321 3.506 . 0 0 "[ . 1 . 2]" 1
221 1 22 LEU H 1 22 LEU MD1 . . 3.800 2.543 2.289 2.813 . 0 0 "[ . 1 . 2]" 1
222 1 22 LEU H 1 22 LEU MD2 . . 4.650 3.640 3.443 3.934 . 0 0 "[ . 1 . 2]" 1
223 1 22 LEU H 1 22 LEU HG . . 4.960 4.238 4.083 4.404 . 0 0 "[ . 1 . 2]" 1
224 1 22 LEU H 1 44 LEU MD1 . . 4.250 3.482 3.067 4.005 . 0 0 "[ . 1 . 2]" 1
225 1 22 LEU HA 1 22 LEU MD1 . . 4.140 2.143 2.042 2.286 . 0 0 "[ . 1 . 2]" 1
226 1 22 LEU HA 1 22 LEU MD2 . . 4.720 3.826 3.801 3.889 . 0 0 "[ . 1 . 2]" 1
227 1 22 LEU HA 1 22 LEU HG . . 2.860 2.718 2.458 2.868 0.008 18 0 "[ . 1 . 2]" 1
228 1 22 LEU HA 1 25 GLU QB . . 3.790 3.062 2.628 3.898 0.108 6 0 "[ . 1 . 2]" 1
229 1 22 LEU HA 1 25 GLU HG2 . . 5.290 4.756 2.581 5.352 0.062 13 0 "[ . 1 . 2]" 1
230 1 22 LEU HA 1 25 GLU HG3 . . 4.940 4.543 2.929 5.358 0.418 16 0 "[ . 1 . 2]" 1
231 1 22 LEU HA 1 44 LEU MD1 . . 4.970 4.376 4.038 4.785 . 0 0 "[ . 1 . 2]" 1
232 1 22 LEU HB2 1 54 TRP HZ2 . . 5.500 5.044 4.416 5.565 0.065 2 0 "[ . 1 . 2]" 1
233 1 22 LEU HB2 1 54 TRP HZ3 . . 5.500 4.496 4.061 5.174 . 0 0 "[ . 1 . 2]" 1
234 1 22 LEU HB3 1 23 ARG H . . 4.160 3.375 2.922 3.800 . 0 0 "[ . 1 . 2]" 1
235 1 22 LEU HB3 1 24 LYS H . . 5.500 5.197 4.828 5.571 0.071 13 0 "[ . 1 . 2]" 1
236 1 22 LEU MD1 1 24 LYS H . . 5.500 5.461 5.111 5.595 0.095 11 0 "[ . 1 . 2]" 1
237 1 22 LEU MD1 1 44 LEU MD1 . . 3.970 1.982 1.894 2.201 . 0 0 "[ . 1 . 2]" 1
238 1 22 LEU MD1 1 54 TRP HZ3 . . 5.460 5.260 4.970 5.538 0.078 2 0 "[ . 1 . 2]" 1
239 1 22 LEU MD2 1 23 ARG H . . 5.500 4.789 4.400 5.226 . 0 0 "[ . 1 . 2]" 1
240 1 22 LEU MD2 1 44 LEU MD1 . . 4.530 3.150 2.882 3.390 . 0 0 "[ . 1 . 2]" 1
241 1 22 LEU MD2 1 44 LEU MD2 . . 4.970 4.911 4.614 5.079 0.109 11 0 "[ . 1 . 2]" 1
242 1 22 LEU MD2 1 51 VAL QG . . 4.970 3.147 2.472 3.575 . 0 0 "[ . 1 . 2]" 1
243 1 22 LEU MD2 1 54 TRP HB2 . . 5.500 3.096 2.819 3.478 . 0 0 "[ . 1 . 2]" 1
244 1 22 LEU MD2 1 54 TRP HB3 . . 5.500 2.523 2.182 3.002 . 0 0 "[ . 1 . 2]" 1
245 1 22 LEU HG 1 51 VAL QG . . 3.290 3.298 3.108 3.357 0.067 19 0 "[ . 1 . 2]" 1
246 1 22 LEU HG 1 54 TRP HB3 . . 5.450 3.499 3.139 4.059 . 0 0 "[ . 1 . 2]" 1
247 1 22 LEU HG 1 55 PHE H . . 5.500 4.675 4.340 5.117 . 0 0 "[ . 1 . 2]" 1
248 1 22 LEU HG 1 55 PHE QD . . 4.280 3.267 2.966 3.861 . 0 0 "[ . 1 . 2]" 1
249 1 22 LEU HG 1 55 PHE QE . . 3.520 2.584 2.223 3.268 . 0 0 "[ . 1 . 2]" 1
250 1 23 ARG H 1 23 ARG QB . . 3.360 2.307 2.192 2.437 . 0 0 "[ . 1 . 2]" 1
251 1 23 ARG H 1 23 ARG QD . . 4.850 3.774 3.504 4.056 . 0 0 "[ . 1 . 2]" 1
252 1 23 ARG H 1 23 ARG HG2 . . 4.140 3.993 3.751 4.187 0.047 12 0 "[ . 1 . 2]" 1
253 1 23 ARG H 1 23 ARG HG3 . . 4.360 2.787 2.533 3.030 . 0 0 "[ . 1 . 2]" 1
254 1 23 ARG H 1 24 LYS H . . 3.200 2.243 2.136 2.319 . 0 0 "[ . 1 . 2]" 1
255 1 23 ARG H 1 24 LYS HA . . 4.820 4.899 4.860 4.911 0.091 2 0 "[ . 1 . 2]" 1
256 1 23 ARG H 1 26 PHE H . . 4.840 4.649 4.325 4.920 0.080 13 0 "[ . 1 . 2]" 1
257 1 23 ARG HA 1 23 ARG HG2 . . 4.080 2.586 2.408 2.782 . 0 0 "[ . 1 . 2]" 1
258 1 23 ARG HA 1 26 PHE H . . 4.710 3.335 2.698 3.991 . 0 0 "[ . 1 . 2]" 1
259 1 23 ARG HA 1 26 PHE HB2 . . 3.440 2.948 2.122 4.086 0.646 19 1 "[ . 1 . +2]" 1
260 1 23 ARG HA 1 26 PHE HB3 . . 4.250 2.829 2.265 3.675 . 0 0 "[ . 1 . 2]" 1
261 1 23 ARG HA 1 54 TRP HZ3 . . 3.580 3.605 3.369 3.666 0.086 19 0 "[ . 1 . 2]" 1
262 1 23 ARG HG2 1 54 TRP HZ2 . . 4.600 4.430 3.728 4.675 0.075 18 0 "[ . 1 . 2]" 1
263 1 23 ARG HG2 1 54 TRP HZ3 . . 5.360 4.051 2.990 5.097 . 0 0 "[ . 1 . 2]" 1
264 1 23 ARG HG3 1 54 TRP HZ2 . . 4.300 3.912 3.362 4.337 0.037 11 0 "[ . 1 . 2]" 1
265 1 23 ARG HG3 1 54 TRP HZ3 . . 5.420 3.945 3.172 5.004 . 0 0 "[ . 1 . 2]" 1
266 1 24 LYS H 1 24 LYS QB . . 3.100 2.449 2.167 2.761 . 0 0 "[ . 1 . 2]" 1
267 1 24 LYS H 1 24 LYS QG . . 3.630 2.555 2.143 3.695 0.065 19 0 "[ . 1 . 2]" 1
268 1 24 LYS H 1 25 GLU H . . 4.440 2.667 2.449 2.851 . 0 0 "[ . 1 . 2]" 1
269 1 24 LYS QB 1 25 GLU H . . 4.320 2.654 2.057 3.721 . 0 0 "[ . 1 . 2]" 1
270 1 25 GLU H 1 25 GLU QB . . 3.820 2.247 2.015 2.917 . 0 0 "[ . 1 . 2]" 1
271 1 25 GLU H 1 25 GLU HG3 . . 4.550 3.771 3.018 4.461 . 0 0 "[ . 1 . 2]" 1
272 1 25 GLU HA 1 28 CYS H . . 5.330 3.394 2.670 4.293 . 0 0 "[ . 1 . 2]" 1
273 1 25 GLU QB 1 26 PHE H . . 4.750 2.958 2.612 3.925 . 0 0 "[ . 1 . 2]" 1
274 1 25 GLU QB 1 28 CYS H . . 5.500 4.683 3.720 5.588 0.088 18 0 "[ . 1 . 2]" 1
275 1 25 GLU QB 1 40 ILE MG . . 3.690 3.629 3.316 3.830 0.140 6 0 "[ . 1 . 2]" 1
276 1 25 GLU QB 1 55 PHE QE . . 3.400 2.656 2.096 3.490 0.090 6 0 "[ . 1 . 2]" 1
277 1 25 GLU HG2 1 40 ILE MD . . 4.560 3.500 2.435 4.625 0.065 2 0 "[ . 1 . 2]" 1
278 1 25 GLU HG2 1 40 ILE QG . . 5.270 3.881 2.261 5.158 . 0 0 "[ . 1 . 2]" 1
279 1 25 GLU HG3 1 40 ILE MD . . 4.840 3.095 2.254 4.670 . 0 0 "[ . 1 . 2]" 1
280 1 25 GLU HG3 1 40 ILE MG . . 5.090 3.438 2.666 4.798 . 0 0 "[ . 1 . 2]" 1
281 1 25 GLU HG3 1 55 PHE QE . . 5.260 4.098 2.240 5.083 . 0 0 "[ . 1 . 2]" 1
282 1 26 PHE H 1 26 PHE HB2 . . 3.880 2.401 2.254 2.589 . 0 0 "[ . 1 . 2]" 1
283 1 26 PHE H 1 26 PHE HB3 . . 3.970 2.594 2.391 2.723 . 0 0 "[ . 1 . 2]" 1
284 1 26 PHE H 1 26 PHE HD2 . . 5.500 4.850 4.418 5.067 . 0 0 "[ . 1 . 2]" 1
285 1 26 PHE H 1 27 HIS H . . 5.050 2.823 2.454 2.985 . 0 0 "[ . 1 . 2]" 1
286 1 26 PHE H 1 27 HIS HA . . 5.500 5.430 4.974 5.545 0.045 11 0 "[ . 1 . 2]" 1
287 1 26 PHE H 1 27 HIS QB . . 5.200 4.807 4.345 5.272 0.072 6 0 "[ . 1 . 2]" 1
288 1 26 PHE H 1 55 PHE QE . . 5.500 4.010 2.829 5.302 . 0 0 "[ . 1 . 2]" 1
289 1 26 PHE HA 1 55 PHE QE . . 4.910 3.394 2.505 4.436 . 0 0 "[ . 1 . 2]" 1
290 1 26 PHE QB 1 27 HIS HD2 . . 5.260 4.212 2.402 5.345 0.085 13 0 "[ . 1 . 2]" 1
291 1 26 PHE QB 1 54 TRP HZ3 . . 4.610 3.285 2.261 3.928 . 0 0 "[ . 1 . 2]" 1
292 1 26 PHE HB2 1 54 TRP HZ3 . . 4.620 3.387 2.273 4.077 . 0 0 "[ . 1 . 2]" 1
293 1 26 PHE HB2 1 55 PHE QE . . 5.440 4.264 2.994 5.305 . 0 0 "[ . 1 . 2]" 1
294 1 26 PHE HB3 1 54 TRP HZ3 . . 5.140 4.573 3.802 5.214 0.074 13 0 "[ . 1 . 2]" 1
295 1 26 PHE HB3 1 58 GLU HG2 . . 5.320 4.947 3.894 6.011 0.691 5 1 "[ + 1 . 2]" 1
296 1 26 PHE QD 1 58 GLU HG3 . . 4.830 3.870 3.180 4.911 0.081 13 0 "[ . 1 . 2]" 1
297 1 26 PHE QD 1 62 TRP HD1 . . 5.410 4.568 3.876 5.474 0.064 20 0 "[ . 1 . 2]" 1
298 1 26 PHE QE 1 55 PHE HA . . 4.910 4.386 3.880 4.985 0.075 15 0 "[ . 1 . 2]" 1
299 1 26 PHE QE 1 58 GLU H . . 5.310 4.764 4.101 5.364 0.054 19 0 "[ . 1 . 2]" 1
300 1 26 PHE QE 1 58 GLU HA . . 5.360 4.864 4.380 5.445 0.085 13 0 "[ . 1 . 2]" 1
301 1 26 PHE QE 1 58 GLU QB . . 5.500 3.015 2.287 4.397 . 0 0 "[ . 1 . 2]" 1
302 1 26 PHE QE 1 58 GLU HG3 . . 5.500 3.219 2.480 4.632 . 0 0 "[ . 1 . 2]" 1
303 1 26 PHE QE 1 59 ARG H . . 4.510 2.868 2.508 3.384 . 0 0 "[ . 1 . 2]" 1
304 1 26 PHE QE 1 59 ARG HA . . 4.470 2.428 2.168 2.802 . 0 0 "[ . 1 . 2]" 1
305 1 26 PHE QE 1 59 ARG HB3 . . 5.340 3.858 2.314 4.673 . 0 0 "[ . 1 . 2]" 1
306 1 26 PHE QE 1 59 ARG HD2 . . 5.310 4.570 2.332 5.371 0.061 17 0 "[ . 1 . 2]" 1
307 1 26 PHE QE 1 59 ARG HD3 . . 5.500 4.607 2.346 5.565 0.065 4 0 "[ . 1 . 2]" 1
308 1 26 PHE QE 1 59 ARG QG . . 4.140 3.053 2.086 4.241 0.101 11 0 "[ . 1 . 2]" 1
309 1 26 PHE QE 1 60 ALA H . . 5.150 4.949 4.738 5.230 0.080 19 0 "[ . 1 . 2]" 1
310 1 26 PHE QE 1 62 TRP HB2 . . 4.750 3.239 2.684 4.103 . 0 0 "[ . 1 . 2]" 1
311 1 26 PHE QE 1 62 TRP HB3 . . 5.450 3.231 2.851 3.690 . 0 0 "[ . 1 . 2]" 1
312 1 26 PHE QE 1 62 TRP HD1 . . 4.870 3.335 2.630 4.872 0.002 20 0 "[ . 1 . 2]" 1
313 1 26 PHE QE 1 62 TRP HE1 . . 5.360 4.124 3.461 5.423 0.063 20 0 "[ . 1 . 2]" 1
314 1 26 PHE QE 1 62 TRP HE3 . . 4.600 4.477 3.858 4.696 0.096 17 0 "[ . 1 . 2]" 1
315 1 26 PHE HZ 1 58 GLU QB . . 5.230 4.407 3.564 5.055 . 0 0 "[ . 1 . 2]" 1
316 1 26 PHE HZ 1 58 GLU HG3 . . 5.460 3.577 2.950 5.151 . 0 0 "[ . 1 . 2]" 1
317 1 26 PHE HZ 1 59 ARG H . . 4.810 4.368 3.857 4.864 0.054 15 0 "[ . 1 . 2]" 1
318 1 26 PHE HZ 1 59 ARG HA . . 3.860 2.254 2.087 2.834 . 0 0 "[ . 1 . 2]" 1
319 1 26 PHE HZ 1 59 ARG QG . . 5.350 3.723 2.531 5.325 . 0 0 "[ . 1 . 2]" 1
320 1 26 PHE HZ 1 62 TRP HB2 . . 4.620 2.798 2.271 3.751 . 0 0 "[ . 1 . 2]" 1
321 1 26 PHE HZ 1 62 TRP HB3 . . 4.680 2.387 2.180 2.905 . 0 0 "[ . 1 . 2]" 1
322 1 27 HIS H 1 27 HIS HD2 . . 5.410 3.728 2.121 5.249 . 0 0 "[ . 1 . 2]" 1
323 1 27 HIS H 1 28 CYS H . . 4.750 2.511 2.017 2.923 . 0 0 "[ . 1 . 2]" 1
324 1 27 HIS H 1 29 LYS H . . 5.500 4.494 3.694 5.376 . 0 0 "[ . 1 . 2]" 1
325 1 28 CYS H 1 29 LYS H . . 3.720 2.500 2.008 3.444 . 0 0 "[ . 1 . 2]" 1
326 1 29 LYS H 1 29 LYS HG2 . . 5.500 4.094 1.858 4.938 . 0 0 "[ . 1 . 2]" 1
327 1 29 LYS H 1 30 LYS H . . 5.100 4.378 3.892 4.663 . 0 0 "[ . 1 . 2]" 1
328 1 29 LYS HA 1 29 LYS HB3 . . 2.800 2.717 2.286 3.049 0.249 2 0 "[ . 1 . 2]" 1
329 1 29 LYS HA 1 29 LYS QD . . 4.700 3.874 2.201 4.470 . 0 0 "[ . 1 . 2]" 1
330 1 29 LYS HA 1 29 LYS HG2 . . 3.700 2.949 2.412 3.752 0.052 1 0 "[ . 1 . 2]" 1
331 1 29 LYS HA 1 30 LYS H . . 2.890 2.290 2.041 2.661 . 0 0 "[ . 1 . 2]" 1
332 1 29 LYS HA 1 30 LYS QG . . 4.570 4.181 3.340 4.486 . 0 0 "[ . 1 . 2]" 1
333 1 29 LYS HA 1 31 TYR H . . 5.260 4.048 3.435 4.607 . 0 0 "[ . 1 . 2]" 1
334 1 29 LYS HB2 1 30 LYS H . . 4.610 3.911 3.111 4.564 . 0 0 "[ . 1 . 2]" 1
335 1 29 LYS HB2 1 31 TYR H . . 4.890 4.132 2.663 5.191 0.301 18 0 "[ . 1 . 2]" 1
336 1 29 LYS HB2 1 32 LEU QD . . 4.180 3.534 2.248 4.357 0.177 10 0 "[ . 1 . 2]" 1
337 1 29 LYS HB3 1 29 LYS QE . . 4.950 3.407 1.894 4.164 . 0 0 "[ . 1 . 2]" 1
338 1 29 LYS HB3 1 30 LYS H . . 4.440 3.269 2.230 4.314 . 0 0 "[ . 1 . 2]" 1
339 1 29 LYS HB3 1 31 TYR H . . 5.120 3.282 2.343 4.970 . 0 0 "[ . 1 . 2]" 1
340 1 29 LYS HB3 1 32 LEU QD . . 4.300 3.452 2.108 4.345 0.045 1 0 "[ . 1 . 2]" 1
341 1 29 LYS QD 1 29 LYS HG2 . . 2.670 2.313 2.167 2.483 . 0 0 "[ . 1 . 2]" 1
342 1 29 LYS QD 1 32 LEU QD . . 3.440 2.728 2.118 3.502 0.062 12 0 "[ . 1 . 2]" 1
343 1 29 LYS QE 1 29 LYS HG3 . . 3.620 2.584 2.187 3.363 . 0 0 "[ . 1 . 2]" 1
344 1 29 LYS QE 1 32 LEU QD . . 4.490 3.596 2.155 4.510 0.020 14 0 "[ . 1 . 2]" 1
345 1 29 LYS HG2 1 31 TYR H . . 5.450 3.748 2.186 5.443 . 0 0 "[ . 1 . 2]" 1
346 1 29 LYS HG2 1 32 LEU QD . . 5.350 3.967 2.291 5.350 . 5 0 "[ . 1 . 2]" 1
347 1 29 LYS HG3 1 31 TYR H . . 5.500 4.578 3.333 5.570 0.070 5 0 "[ . 1 . 2]" 1
348 1 30 LYS H 1 30 LYS HB2 . . 3.790 3.671 3.556 3.853 0.063 2 0 "[ . 1 . 2]" 1
349 1 30 LYS H 1 30 LYS QG . . 4.100 2.348 1.841 2.814 . 0 0 "[ . 1 . 2]" 1
350 1 30 LYS H 1 31 TYR H . . 3.690 2.507 1.777 3.069 . 0 0 "[ . 1 . 2]" 1
351 1 30 LYS H 1 31 TYR QD . . 5.500 4.862 4.280 5.270 . 0 0 "[ . 1 . 2]" 1
352 1 30 LYS HA 1 30 LYS QG . . 3.660 3.442 3.314 3.497 . 0 0 "[ . 1 . 2]" 1
353 1 30 LYS HB2 1 31 TYR H . . 5.040 3.882 3.444 4.211 . 0 0 "[ . 1 . 2]" 1
354 1 30 LYS HB2 1 31 TYR QD . . 4.020 3.043 2.765 3.276 . 0 0 "[ . 1 . 2]" 1
355 1 30 LYS HB2 1 31 TYR QE . . 4.450 4.145 3.474 4.530 0.080 16 0 "[ . 1 . 2]" 1
356 1 30 LYS HB3 1 31 TYR H . . 5.300 4.280 3.984 4.478 . 0 0 "[ . 1 . 2]" 1
357 1 30 LYS HB3 1 31 TYR QD . . 4.450 4.506 4.414 4.545 0.095 5 0 "[ . 1 . 2]" 1
358 1 30 LYS QG 1 31 TYR H . . 5.500 2.302 1.940 2.784 . 0 0 "[ . 1 . 2]" 1
359 1 30 LYS QG 1 31 TYR HA . . 4.600 4.457 4.250 4.532 . 0 0 "[ . 1 . 2]" 1
360 1 30 LYS QG 1 31 TYR QE . . 5.500 2.914 2.336 5.010 . 0 0 "[ . 1 . 2]" 1
361 1 31 TYR H 1 31 TYR HB2 . . 3.940 3.708 2.657 4.038 0.098 13 0 "[ . 1 . 2]" 1
362 1 31 TYR H 1 31 TYR QD . . 3.680 3.450 3.071 3.755 0.075 12 0 "[ . 1 . 2]" 1
363 1 31 TYR H 1 32 LEU H . . 5.430 4.239 3.939 4.326 . 0 0 "[ . 1 . 2]" 1
364 1 31 TYR HA 1 31 TYR QD . . 3.900 3.598 2.815 3.815 . 0 0 "[ . 1 . 2]" 1
365 1 31 TYR HA 1 32 LEU H . . 3.070 2.366 2.194 2.575 . 0 0 "[ . 1 . 2]" 1
366 1 31 TYR HB2 1 32 LEU H . . 4.410 2.932 2.224 4.460 0.050 20 0 "[ . 1 . 2]" 1
367 1 31 TYR HB3 1 32 LEU H . . 4.130 3.670 3.009 4.027 . 0 0 "[ . 1 . 2]" 1
368 1 31 TYR QD 1 32 LEU H . . 4.480 3.691 3.194 4.363 . 0 0 "[ . 1 . 2]" 1
369 1 32 LEU H 1 32 LEU HB2 . . 3.780 2.481 2.034 3.242 . 0 0 "[ . 1 . 2]" 1
370 1 32 LEU H 1 32 LEU HB3 . . 4.050 3.623 3.353 3.823 . 0 0 "[ . 1 . 2]" 1
371 1 32 LEU H 1 32 LEU QD . . 4.670 2.862 2.034 3.610 . 0 0 "[ . 1 . 2]" 1
372 1 32 LEU H 1 32 LEU HG . . 3.990 3.392 2.375 4.072 0.082 7 0 "[ . 1 . 2]" 1
373 1 32 LEU H 1 33 SER H . . 5.170 4.465 4.178 4.633 . 0 0 "[ . 1 . 2]" 1
374 1 32 LEU H 1 55 PHE HB3 . . 5.500 5.441 4.623 5.582 0.082 18 0 "[ . 1 . 2]" 1
375 1 32 LEU HA 1 32 LEU QD . . 3.300 2.416 2.122 2.865 . 0 0 "[ . 1 . 2]" 1
376 1 32 LEU HA 1 33 SER H . . 3.530 2.251 2.056 2.483 . 0 0 "[ . 1 . 2]" 1
377 1 32 LEU HB2 1 33 SER H . . 4.780 4.049 2.760 4.510 . 0 0 "[ . 1 . 2]" 1
378 1 32 LEU HB2 1 36 GLU HB3 . . 4.850 4.581 3.254 4.914 0.064 9 0 "[ . 1 . 2]" 1
379 1 32 LEU HB2 1 37 ARG H . . 4.950 3.988 2.502 4.504 . 0 0 "[ . 1 . 2]" 1
380 1 32 LEU HB2 1 37 ARG HB3 . . 4.840 4.818 2.541 5.549 0.709 19 3 "[ .- 1 * +2]" 1
381 1 32 LEU HB3 1 33 SER H . . 4.270 3.155 2.280 3.648 . 0 0 "[ . 1 . 2]" 1
382 1 32 LEU HB3 1 36 GLU HA . . 5.210 4.776 4.540 4.958 . 0 0 "[ . 1 . 2]" 1
383 1 32 LEU HB3 1 36 GLU HB2 . . 3.610 2.261 2.052 2.992 . 0 0 "[ . 1 . 2]" 1
384 1 32 LEU HB3 1 36 GLU HB3 . . 3.390 3.125 2.341 3.451 0.061 18 0 "[ . 1 . 2]" 1
385 1 32 LEU HB3 1 37 ARG H . . 3.940 2.857 2.337 3.986 0.046 19 0 "[ . 1 . 2]" 1
386 1 32 LEU QD 1 33 SER H . . 4.590 3.872 3.405 4.264 . 0 0 "[ . 1 . 2]" 1
387 1 32 LEU QD 1 36 GLU HB2 . . 4.080 3.003 2.537 3.910 . 0 0 "[ . 1 . 2]" 1
388 1 32 LEU QD 1 36 GLU HB3 . . 4.240 2.609 2.031 3.519 . 0 0 "[ . 1 . 2]" 1
389 1 32 LEU QD 1 36 GLU QG . . 4.750 3.715 3.213 4.655 . 0 0 "[ . 1 . 2]" 1
390 1 32 LEU QD 1 37 ARG H . . 5.310 3.426 3.036 4.143 . 0 0 "[ . 1 . 2]" 1
391 1 32 LEU QD 1 37 ARG HA . . 3.570 2.308 1.987 3.594 0.024 12 0 "[ . 1 . 2]" 1
392 1 32 LEU QD 1 37 ARG HB2 . . 4.560 3.674 2.663 4.596 0.036 12 0 "[ . 1 . 2]" 1
393 1 32 LEU QD 1 37 ARG HB3 . . 4.820 4.075 2.300 4.545 . 0 0 "[ . 1 . 2]" 1
394 1 32 LEU QD 1 37 ARG QG . . 5.060 2.396 2.011 3.553 . 0 0 "[ . 1 . 2]" 1
395 1 32 LEU QD 1 40 ILE HB . . 5.430 2.904 2.409 4.254 . 0 0 "[ . 1 . 2]" 1
396 1 32 LEU QD 1 40 ILE MD . . 4.340 3.390 2.288 3.855 . 0 0 "[ . 1 . 2]" 1
397 1 32 LEU QD 1 40 ILE QG . . 5.500 2.572 1.872 4.600 . 0 0 "[ . 1 . 2]" 1
398 1 32 LEU QD 1 40 ILE MG . . 3.830 2.973 2.546 3.769 . 0 0 "[ . 1 . 2]" 1
399 1 32 LEU QD 1 55 PHE HB2 . . 5.500 4.101 3.313 4.692 . 0 0 "[ . 1 . 2]" 1
400 1 32 LEU QD 1 55 PHE QD . . 5.130 3.104 2.603 3.571 . 0 0 "[ . 1 . 2]" 1
401 1 32 LEU QD 1 55 PHE QE . . 4.030 2.432 1.971 2.680 . 0 0 "[ . 1 . 2]" 1
402 1 32 LEU HG 1 36 GLU QG . . 5.500 4.719 3.092 5.577 0.077 15 0 "[ . 1 . 2]" 1
403 1 33 SER H 1 34 LEU H . . 4.830 4.539 4.417 4.686 . 0 0 "[ . 1 . 2]" 1
404 1 33 SER H 1 36 GLU H . . 4.130 3.703 3.044 3.996 . 0 0 "[ . 1 . 2]" 1
405 1 33 SER H 1 36 GLU HB2 . . 4.030 2.358 1.794 2.724 . 0 0 "[ . 1 . 2]" 1
406 1 33 SER H 1 36 GLU HB3 . . 3.730 3.593 3.199 3.804 0.074 6 0 "[ . 1 . 2]" 1
407 1 33 SER H 1 36 GLU QG . . 3.590 2.273 1.688 3.645 0.055 14 0 "[ . 1 . 2]" 1
408 1 33 SER HA 1 33 SER HB3 . . 2.910 2.525 2.321 2.981 0.071 17 0 "[ . 1 . 2]" 1
409 1 33 SER HA 1 34 LEU H . . 3.060 2.660 2.500 2.855 . 0 0 "[ . 1 . 2]" 1
410 1 33 SER HA 1 34 LEU MD2 . . 5.200 3.545 2.962 6.033 0.833 16 2 "[ . - 1 .+ 2]" 1
411 1 33 SER HA 1 35 THR H . . 5.110 4.850 4.493 5.175 0.065 5 0 "[ . 1 . 2]" 1
412 1 33 SER HA 1 36 GLU H . . 5.270 4.881 4.495 5.255 . 0 0 "[ . 1 . 2]" 1
413 1 33 SER HB3 1 34 LEU H . . 3.310 2.358 2.019 2.793 . 0 0 "[ . 1 . 2]" 1
414 1 33 SER HB3 1 35 THR H . . 3.910 3.540 2.906 3.971 0.061 14 0 "[ . 1 . 2]" 1
415 1 33 SER HB3 1 36 GLU H . . 5.220 4.063 2.972 4.656 . 0 0 "[ . 1 . 2]" 1
416 1 34 LEU H 1 34 LEU HB2 . . 2.990 2.248 2.109 2.491 . 0 0 "[ . 1 . 2]" 1
417 1 34 LEU H 1 34 LEU HB3 . . 3.470 3.496 3.419 3.542 0.072 8 0 "[ . 1 . 2]" 1
418 1 34 LEU H 1 34 LEU MD1 . . 4.400 3.709 2.121 4.183 . 0 0 "[ . 1 . 2]" 1
419 1 34 LEU H 1 34 LEU MD2 . . 4.440 2.379 1.815 4.184 . 0 0 "[ . 1 . 2]" 1
420 1 34 LEU H 1 34 LEU HG . . 3.690 3.720 3.366 3.771 0.081 18 0 "[ . 1 . 2]" 1
421 1 34 LEU H 1 35 THR H . . 3.460 2.829 2.486 3.101 . 0 0 "[ . 1 . 2]" 1
422 1 34 LEU H 1 35 THR HB . . 4.930 4.948 4.325 5.007 0.077 3 0 "[ . 1 . 2]" 1
423 1 34 LEU H 1 36 GLU H . . 5.500 4.267 3.921 4.543 . 0 0 "[ . 1 . 2]" 1
424 1 34 LEU HA 1 34 LEU MD1 . . 3.260 2.335 2.126 3.240 . 0 0 "[ . 1 . 2]" 1
425 1 34 LEU HA 1 34 LEU MD2 . . 3.150 2.592 2.135 3.366 0.216 16 0 "[ . 1 . 2]" 1
426 1 34 LEU HB2 1 34 LEU MD2 . . 3.410 2.571 2.364 2.771 . 0 0 "[ . 1 . 2]" 1
427 1 34 LEU HB2 1 35 THR H . . 3.350 2.670 2.106 3.353 0.003 7 0 "[ . 1 . 2]" 1
428 1 34 LEU HB2 1 36 GLU H . . 5.500 5.150 4.690 5.561 0.061 9 0 "[ . 1 . 2]" 1
429 1 34 LEU HB3 1 34 LEU MD2 . . 3.420 3.157 2.158 3.281 . 0 0 "[ . 1 . 2]" 1
430 1 34 LEU MD1 1 35 THR H . . 5.080 4.671 4.026 5.019 . 0 0 "[ . 1 . 2]" 1
431 1 34 LEU MD2 1 35 THR H . . 5.500 4.298 3.808 4.921 . 0 0 "[ . 1 . 2]" 1
432 1 34 LEU HG 1 35 THR H . . 5.500 4.940 4.475 5.493 . 0 0 "[ . 1 . 2]" 1
433 1 35 THR H 1 35 THR HB . . 2.850 2.477 2.220 2.784 . 0 0 "[ . 1 . 2]" 1
434 1 35 THR H 1 35 THR MG . . 3.780 3.713 3.558 3.813 0.033 18 0 "[ . 1 . 2]" 1
435 1 35 THR H 1 36 GLU H . . 3.340 2.760 2.319 2.975 . 0 0 "[ . 1 . 2]" 1
436 1 35 THR H 1 36 GLU QG . . 4.890 4.145 3.376 4.973 0.083 16 0 "[ . 1 . 2]" 1
437 1 35 THR HB 1 36 GLU H . . 3.080 2.554 2.187 3.118 0.038 19 0 "[ . 1 . 2]" 1
438 1 35 THR HB 1 36 GLU QG . . 4.290 3.509 2.622 4.379 0.089 8 0 "[ . 1 . 2]" 1
439 1 35 THR MG 1 36 GLU H . . 4.250 3.484 2.739 3.912 . 0 0 "[ . 1 . 2]" 1
440 1 35 THR MG 1 36 GLU HA . . 5.500 3.664 3.195 4.181 . 0 0 "[ . 1 . 2]" 1
441 1 35 THR MG 1 36 GLU QG . . 4.610 4.222 3.358 4.714 0.104 16 0 "[ . 1 . 2]" 1
442 1 35 THR MG 1 39 GLN H . . 5.500 4.282 3.692 4.949 . 0 0 "[ . 1 . 2]" 1
443 1 35 THR MG 1 39 GLN HB2 . . 5.440 4.884 3.830 5.525 0.085 14 0 "[ . 1 . 2]" 1
444 1 35 THR MG 1 39 GLN QE . . 5.100 2.950 1.869 4.478 . 0 0 "[ . 1 . 2]" 1
445 1 35 THR MG 1 39 GLN HG2 . . 4.630 4.127 3.425 4.733 0.103 19 0 "[ . 1 . 2]" 1
446 1 35 THR MG 1 39 GLN HG3 . . 4.890 3.146 2.343 3.823 . 0 0 "[ . 1 . 2]" 1
447 1 36 GLU H 1 36 GLU HB2 . . 3.700 2.640 2.252 2.982 . 0 0 "[ . 1 . 2]" 1
448 1 36 GLU H 1 36 GLU HB3 . . 3.700 3.559 3.484 3.637 . 0 0 "[ . 1 . 2]" 1
449 1 36 GLU H 1 36 GLU QG . . 2.970 2.141 1.851 3.018 0.048 16 0 "[ . 1 . 2]" 1
450 1 36 GLU H 1 37 ARG H . . 3.360 2.830 2.407 3.226 . 0 0 "[ . 1 . 2]" 1
451 1 36 GLU H 1 39 GLN QE . . 4.600 3.954 3.302 4.512 . 0 0 "[ . 1 . 2]" 1
452 1 36 GLU HA 1 36 GLU QG . . 3.230 2.997 2.241 3.313 0.083 13 0 "[ . 1 . 2]" 1
453 1 36 GLU HA 1 39 GLN QE . . 5.490 2.084 1.839 2.397 . 0 0 "[ . 1 . 2]" 1
454 1 36 GLU HA 1 39 GLN HG3 . . 4.070 3.461 2.518 4.138 0.068 20 0 "[ . 1 . 2]" 1
455 1 36 GLU HB2 1 37 ARG H . . 3.330 2.401 2.223 2.644 . 0 0 "[ . 1 . 2]" 1
456 1 36 GLU HB3 1 37 ARG H . . 3.540 3.580 3.400 3.623 0.083 5 0 "[ . 1 . 2]" 1
457 1 36 GLU HB3 1 39 GLN QE . . 4.450 3.777 3.094 4.262 . 0 0 "[ . 1 . 2]" 1
458 1 36 GLU QG 1 37 ARG H . . 4.560 3.833 3.389 4.237 . 0 0 "[ . 1 . 2]" 1
459 1 37 ARG H 1 37 ARG HB2 . . 3.600 2.316 1.963 3.673 0.073 20 0 "[ . 1 . 2]" 1
460 1 37 ARG H 1 37 ARG HB3 . . 3.640 3.163 2.466 3.690 0.050 2 0 "[ . 1 . 2]" 1
461 1 37 ARG H 1 37 ARG QG . . 4.200 3.234 2.276 3.898 . 0 0 "[ . 1 . 2]" 1
462 1 37 ARG H 1 38 SER H . . 3.460 2.750 2.565 2.912 . 0 0 "[ . 1 . 2]" 1
463 1 37 ARG H 1 39 GLN H . . 4.570 4.335 4.169 4.618 0.048 20 0 "[ . 1 . 2]" 1
464 1 37 ARG HA 1 40 ILE H . . 4.340 3.600 3.167 4.125 . 0 0 "[ . 1 . 2]" 1
465 1 37 ARG HA 1 40 ILE HB . . 3.980 3.097 2.596 3.629 . 0 0 "[ . 1 . 2]" 1
466 1 37 ARG HA 1 40 ILE MG . . 4.870 4.474 4.096 4.935 0.065 4 0 "[ . 1 . 2]" 1
467 1 37 ARG HA 1 41 ALA H . . 5.270 4.365 3.687 4.902 . 0 0 "[ . 1 . 2]" 1
468 1 37 ARG HA 1 51 VAL QG . . 4.110 3.469 3.099 3.779 . 0 0 "[ . 1 . 2]" 1
469 1 37 ARG HB2 1 37 ARG QD . . 3.370 2.699 2.252 3.553 0.183 14 0 "[ . 1 . 2]" 1
470 1 37 ARG HB2 1 38 SER H . . 3.600 3.436 2.785 4.064 0.464 11 0 "[ . 1 . 2]" 1
471 1 37 ARG HB3 1 38 SER H . . 3.990 3.313 2.771 4.076 0.086 20 0 "[ . 1 . 2]" 1
472 1 37 ARG QD 1 37 ARG QG . . 2.470 2.031 1.938 2.121 . 0 0 "[ . 1 . 2]" 1
473 1 37 ARG QD 1 38 SER H . . 5.500 5.016 1.999 5.583 0.083 18 0 "[ . 1 . 2]" 1
474 1 37 ARG QD 1 52 LYS H . . 4.850 3.921 2.503 4.927 0.077 10 0 "[ . 1 . 2]" 1
475 1 37 ARG QD 1 52 LYS HA . . 4.860 3.715 2.661 4.936 0.076 20 0 "[ . 1 . 2]" 1
476 1 37 ARG QD 1 52 LYS HB2 . . 5.080 2.933 2.185 4.859 . 0 0 "[ . 1 . 2]" 1
477 1 37 ARG QD 1 52 LYS HB3 . . 5.090 3.221 2.184 3.920 . 0 0 "[ . 1 . 2]" 1
478 1 37 ARG QG 1 38 SER H . . 4.870 4.349 3.333 4.553 . 0 0 "[ . 1 . 2]" 1
479 1 37 ARG QG 1 51 VAL HB . . 4.370 3.426 2.250 4.304 . 0 0 "[ . 1 . 2]" 1
480 1 37 ARG QG 1 51 VAL QG . . 4.280 3.075 2.291 3.570 . 0 0 "[ . 1 . 2]" 1
481 1 37 ARG QG 1 52 LYS H . . 4.940 4.131 3.679 4.808 . 0 0 "[ . 1 . 2]" 1
482 1 38 SER H 1 38 SER HB2 . . 3.220 2.408 2.134 2.987 . 0 0 "[ . 1 . 2]" 1
483 1 38 SER H 1 38 SER HB3 . . 2.910 2.711 2.323 3.091 0.181 6 0 "[ . 1 . 2]" 1
484 1 38 SER H 1 41 ALA H . . 5.400 4.933 4.469 5.183 . 0 0 "[ . 1 . 2]" 1
485 1 38 SER HA 1 41 ALA H . . 4.180 3.824 3.490 4.241 0.061 19 0 "[ . 1 . 2]" 1
486 1 38 SER HA 1 41 ALA MB . . 3.410 2.699 2.223 3.276 . 0 0 "[ . 1 . 2]" 1
487 1 38 SER HA 1 48 GLU HG2 . . 3.870 2.646 2.050 4.243 0.373 18 0 "[ . 1 . 2]" 1
488 1 38 SER HA 1 48 GLU HG3 . . 4.500 3.525 2.669 4.491 . 0 0 "[ . 1 . 2]" 1
489 1 38 SER HB2 1 41 ALA MB . . 5.260 4.928 4.211 5.341 0.081 19 0 "[ . 1 . 2]" 1
490 1 38 SER HB3 1 39 GLN H . . 3.530 2.739 2.479 3.454 . 0 0 "[ . 1 . 2]" 1
491 1 39 GLN H 1 39 GLN HB2 . . 2.990 2.478 2.316 2.724 . 0 0 "[ . 1 . 2]" 1
492 1 39 GLN H 1 39 GLN HG2 . . 3.520 3.536 3.174 3.599 0.079 12 0 "[ . 1 . 2]" 1
493 1 39 GLN H 1 39 GLN HG3 . . 3.580 2.285 2.137 2.427 . 0 0 "[ . 1 . 2]" 1
494 1 39 GLN H 1 40 ILE H . . 3.110 2.836 2.506 3.002 . 0 0 "[ . 1 . 2]" 1
495 1 39 GLN H 1 40 ILE HB . . 5.100 5.016 4.307 5.171 0.071 5 0 "[ . 1 . 2]" 1
496 1 39 GLN H 1 40 ILE QG . . 5.050 4.400 3.968 4.913 . 0 0 "[ . 1 . 2]" 1
497 1 39 GLN H 1 41 ALA MB . . 5.500 4.730 4.451 4.885 . 0 0 "[ . 1 . 2]" 1
498 1 39 GLN HA 1 39 GLN HG2 . . 3.580 2.630 2.395 2.829 . 0 0 "[ . 1 . 2]" 1
499 1 39 GLN HA 1 39 GLN HG3 . . 3.470 3.009 2.815 3.293 . 0 0 "[ . 1 . 2]" 1
500 1 39 GLN HA 1 42 HIS H . . 3.600 3.645 3.572 3.685 0.085 12 0 "[ . 1 . 2]" 1
501 1 39 GLN HA 1 42 HIS QB . . 3.360 3.110 2.622 3.449 0.089 11 0 "[ . 1 . 2]" 1
502 1 39 GLN HB2 1 39 GLN HG3 . . 2.900 2.555 2.445 2.655 . 0 0 "[ . 1 . 2]" 1
503 1 39 GLN HB2 1 40 ILE H . . 3.530 2.303 2.073 2.556 . 0 0 "[ . 1 . 2]" 1
504 1 39 GLN HB2 1 40 ILE HB . . 5.320 4.598 4.124 5.016 . 0 0 "[ . 1 . 2]" 1
505 1 39 GLN HB2 1 41 ALA H . . 5.500 4.583 4.463 4.720 . 0 0 "[ . 1 . 2]" 1
506 1 39 GLN HB2 1 43 ALA MB . . 5.500 4.950 4.550 5.367 . 0 0 "[ . 1 . 2]" 1
507 1 39 GLN HB3 1 40 ILE H . . 3.570 3.312 3.086 3.522 . 0 0 "[ . 1 . 2]" 1
508 1 39 GLN HB3 1 40 ILE HA . . 4.510 4.241 4.003 4.542 0.032 20 0 "[ . 1 . 2]" 1
509 1 39 GLN QE 1 40 ILE MD . . 5.500 4.017 2.538 4.932 . 0 0 "[ . 1 . 2]" 1
510 1 39 GLN HG2 1 40 ILE H . . 5.170 4.904 4.728 5.056 . 0 0 "[ . 1 . 2]" 1
511 1 39 GLN HG2 1 43 ALA MB . . 5.500 5.420 4.922 5.608 0.108 19 0 "[ . 1 . 2]" 1
512 1 39 GLN HG3 1 40 ILE H . . 4.430 4.309 3.975 4.483 0.053 18 0 "[ . 1 . 2]" 1
513 1 40 ILE H 1 40 ILE HB . . 2.930 2.497 2.231 2.691 . 0 0 "[ . 1 . 2]" 1
514 1 40 ILE H 1 40 ILE MD . . 3.640 2.543 1.780 2.921 . 0 0 "[ . 1 . 2]" 1
515 1 40 ILE H 1 40 ILE QG . . 3.480 2.172 1.876 2.720 . 0 0 "[ . 1 . 2]" 1
516 1 40 ILE H 1 40 ILE MG . . 4.290 3.768 3.693 3.814 . 0 0 "[ . 1 . 2]" 1
517 1 40 ILE H 1 41 ALA MB . . 4.910 4.429 4.283 4.630 . 0 0 "[ . 1 . 2]" 1
518 1 40 ILE HA 1 40 ILE MD . . 4.130 2.332 2.068 3.451 . 0 0 "[ . 1 . 2]" 1
519 1 40 ILE HA 1 40 ILE QG . . 3.660 3.025 2.143 3.262 . 0 0 "[ . 1 . 2]" 1
520 1 40 ILE HA 1 43 ALA H . . 3.750 3.626 3.075 3.834 0.084 14 0 "[ . 1 . 2]" 1
521 1 40 ILE HA 1 43 ALA MB . . 3.330 2.607 2.149 3.163 . 0 0 "[ . 1 . 2]" 1
522 1 40 ILE HB 1 40 ILE MD . . 3.130 3.067 2.191 3.234 0.104 2 0 "[ . 1 . 2]" 1
523 1 40 ILE HB 1 41 ALA H . . 3.500 3.374 2.995 3.572 0.072 14 0 "[ . 1 . 2]" 1
524 1 40 ILE HB 1 41 ALA MB . . 4.870 4.357 3.963 4.813 . 0 0 "[ . 1 . 2]" 1
525 1 40 ILE HB 1 51 VAL QG . . 3.980 2.655 2.231 3.248 . 0 0 "[ . 1 . 2]" 1
526 1 40 ILE MD 1 41 ALA H . . 4.230 4.330 4.226 4.347 0.117 4 0 "[ . 1 . 2]" 1
527 1 40 ILE MD 1 43 ALA H . . 5.500 4.923 4.391 5.621 0.121 12 0 "[ . 1 . 2]" 1
528 1 40 ILE QG 1 40 ILE MG . . 3.150 2.130 2.071 2.217 . 0 0 "[ . 1 . 2]" 1
529 1 40 ILE MG 1 41 ALA HA . . 5.470 4.128 3.720 4.416 . 0 0 "[ . 1 . 2]" 1
530 1 40 ILE MG 1 43 ALA MB . . 5.500 3.942 3.462 4.508 . 0 0 "[ . 1 . 2]" 1
531 1 40 ILE MG 1 51 VAL QG . . 3.980 2.271 2.020 2.567 . 0 0 "[ . 1 . 2]" 1
532 1 40 ILE MG 1 55 PHE QE . . 4.810 2.503 2.173 3.146 . 0 0 "[ . 1 . 2]" 1
533 1 41 ALA H 1 41 ALA MB . . 2.870 2.395 2.306 2.497 . 0 0 "[ . 1 . 2]" 1
534 1 41 ALA H 1 42 HIS H . . 3.280 2.332 2.049 2.564 . 0 0 "[ . 1 . 2]" 1
535 1 41 ALA H 1 43 ALA H . . 3.440 3.513 3.480 3.530 0.090 19 0 "[ . 1 . 2]" 1
536 1 41 ALA H 1 43 ALA MB . . 4.520 4.300 4.102 4.526 0.006 7 0 "[ . 1 . 2]" 1
537 1 41 ALA H 1 51 VAL QG . . 3.940 3.465 3.287 3.718 . 0 0 "[ . 1 . 2]" 1
538 1 41 ALA HA 1 44 LEU H . . 4.530 3.798 3.614 4.113 . 0 0 "[ . 1 . 2]" 1
539 1 41 ALA HA 1 44 LEU MD1 . . 4.920 3.927 3.234 4.492 . 0 0 "[ . 1 . 2]" 1
540 1 41 ALA HA 1 45 LYS H . . 5.190 5.086 4.876 5.248 0.058 13 0 "[ . 1 . 2]" 1
541 1 41 ALA HA 1 46 LEU H . . 3.830 3.475 3.235 3.747 . 0 0 "[ . 1 . 2]" 1
542 1 41 ALA HA 1 46 LEU HB2 . . 3.350 2.748 2.387 3.136 . 0 0 "[ . 1 . 2]" 1
543 1 41 ALA HA 1 46 LEU HB3 . . 4.400 3.893 3.483 4.472 0.072 11 0 "[ . 1 . 2]" 1
544 1 41 ALA HA 1 46 LEU MD1 . . 4.100 3.945 3.474 4.193 0.093 11 0 "[ . 1 . 2]" 1
545 1 41 ALA HA 1 51 VAL QG . . 3.470 2.089 1.940 2.232 . 0 0 "[ . 1 . 2]" 1
546 1 41 ALA MB 1 42 HIS H . . 3.120 2.414 2.229 2.661 . 0 0 "[ . 1 . 2]" 1
547 1 41 ALA MB 1 42 HIS HA . . 4.880 3.819 3.705 4.017 . 0 0 "[ . 1 . 2]" 1
548 1 41 ALA MB 1 42 HIS QB . . 4.590 3.646 3.454 3.883 . 0 0 "[ . 1 . 2]" 1
549 1 41 ALA MB 1 47 SER H . . 5.110 4.342 3.854 4.774 . 0 0 "[ . 1 . 2]" 1
550 1 41 ALA MB 1 48 GLU H . . 4.260 3.107 2.787 3.582 . 0 0 "[ . 1 . 2]" 1
551 1 41 ALA MB 1 48 GLU HA . . 3.490 2.174 2.019 2.483 . 0 0 "[ . 1 . 2]" 1
552 1 41 ALA MB 1 48 GLU HG2 . . 3.590 2.896 2.421 3.452 . 0 0 "[ . 1 . 2]" 1
553 1 41 ALA MB 1 48 GLU HG3 . . 3.890 3.158 2.669 3.697 . 0 0 "[ . 1 . 2]" 1
554 1 41 ALA MB 1 49 VAL H . . 5.360 4.748 4.580 5.003 . 0 0 "[ . 1 . 2]" 1
555 1 41 ALA MB 1 51 VAL H . . 4.310 4.013 3.720 4.382 0.072 11 0 "[ . 1 . 2]" 1
556 1 41 ALA MB 1 51 VAL HB . . 4.360 3.281 2.755 3.875 . 0 0 "[ . 1 . 2]" 1
557 1 41 ALA MB 1 51 VAL QG . . 3.240 2.294 2.098 2.785 . 0 0 "[ . 1 . 2]" 1
558 1 42 HIS H 1 42 HIS QB . . 2.790 2.184 2.089 2.283 . 0 0 "[ . 1 . 2]" 1
559 1 42 HIS H 1 42 HIS HD2 . . 5.370 5.033 4.438 5.388 0.018 7 0 "[ . 1 . 2]" 1
560 1 42 HIS H 1 51 VAL QG . . 5.500 4.695 4.524 4.900 . 0 0 "[ . 1 . 2]" 1
561 1 42 HIS HA 1 42 HIS HD2 . . 4.410 4.024 3.369 4.488 0.078 20 0 "[ . 1 . 2]" 1
562 1 42 HIS HA 1 45 LYS H . . 4.360 3.403 2.947 3.780 . 0 0 "[ . 1 . 2]" 1
563 1 42 HIS HA 1 46 LEU H . . 4.010 3.994 3.540 4.084 0.074 4 0 "[ . 1 . 2]" 1
564 1 42 HIS QB 1 43 ALA H . . 3.200 2.739 2.489 3.276 0.076 7 0 "[ . 1 . 2]" 1
565 1 42 HIS QB 1 43 ALA HA . . 4.690 4.170 3.794 4.617 . 0 0 "[ . 1 . 2]" 1
566 1 42 HIS QB 1 43 ALA MB . . 4.820 3.960 3.545 4.415 . 0 0 "[ . 1 . 2]" 1
567 1 42 HIS HD2 1 43 ALA HA . . 4.600 3.714 2.579 4.626 0.026 8 0 "[ . 1 . 2]" 1
568 1 42 HIS HD2 1 43 ALA MB . . 5.500 4.465 3.438 5.468 . 0 0 "[ . 1 . 2]" 1
569 1 43 ALA H 1 43 ALA MB . . 2.960 2.212 2.184 2.266 . 0 0 "[ . 1 . 2]" 1
570 1 43 ALA H 1 44 LEU HG . . 5.100 4.271 3.814 4.550 . 0 0 "[ . 1 . 2]" 1
571 1 43 ALA HA 1 44 LEU HA . . 5.120 4.664 4.584 4.730 . 0 0 "[ . 1 . 2]" 1
572 1 43 ALA MB 1 44 LEU H . . 3.390 2.958 2.501 3.193 . 0 0 "[ . 1 . 2]" 1
573 1 43 ALA MB 1 44 LEU MD2 . . 4.160 3.128 2.415 3.414 . 0 0 "[ . 1 . 2]" 1
574 1 43 ALA MB 1 44 LEU HG . . 4.090 2.700 2.411 3.149 . 0 0 "[ . 1 . 2]" 1
575 1 44 LEU H 1 44 LEU HB2 . . 3.690 2.604 2.454 3.304 . 0 0 "[ . 1 . 2]" 1
576 1 44 LEU H 1 44 LEU HB3 . . 3.940 3.724 3.627 3.876 . 0 0 "[ . 1 . 2]" 1
577 1 44 LEU H 1 44 LEU MD1 . . 4.020 3.969 3.632 4.108 0.088 13 0 "[ . 1 . 2]" 1
578 1 44 LEU H 1 44 LEU MD2 . . 3.780 3.665 3.319 3.860 0.080 15 0 "[ . 1 . 2]" 1
579 1 44 LEU H 1 44 LEU HG . . 3.450 2.825 2.366 3.129 . 0 0 "[ . 1 . 2]" 1
580 1 44 LEU H 1 45 LYS H . . 3.120 2.257 2.168 2.421 . 0 0 "[ . 1 . 2]" 1
581 1 44 LEU H 1 45 LYS HA . . 4.220 4.246 4.061 4.306 0.086 13 0 "[ . 1 . 2]" 1
582 1 44 LEU H 1 45 LYS HB2 . . 5.160 5.035 4.720 5.231 0.071 14 0 "[ . 1 . 2]" 1
583 1 44 LEU H 1 46 LEU H . . 3.970 3.330 3.141 3.548 . 0 0 "[ . 1 . 2]" 1
584 1 44 LEU H 1 46 LEU HB2 . . 5.070 4.466 4.270 5.027 . 0 0 "[ . 1 . 2]" 1
585 1 44 LEU HA 1 44 LEU MD1 . . 4.270 3.891 3.808 4.137 . 0 0 "[ . 1 . 2]" 1
586 1 44 LEU HA 1 44 LEU MD2 . . 2.840 2.242 2.086 2.785 . 0 0 "[ . 1 . 2]" 1
587 1 44 LEU HA 1 44 LEU HG . . 3.910 3.238 3.108 3.558 . 0 0 "[ . 1 . 2]" 1
588 1 44 LEU HB2 1 44 LEU MD1 . . 3.350 2.329 2.250 2.422 . 0 0 "[ . 1 . 2]" 1
589 1 44 LEU HB2 1 45 LYS H . . 4.490 3.842 3.713 4.153 . 0 0 "[ . 1 . 2]" 1
590 1 44 LEU HB2 1 46 LEU MD1 . . 4.410 2.522 2.263 3.213 . 0 0 "[ . 1 . 2]" 1
591 1 44 LEU HB3 1 44 LEU MD1 . . 3.300 2.389 2.272 2.595 . 0 0 "[ . 1 . 2]" 1
592 1 44 LEU HB3 1 44 LEU MD2 . . 3.230 2.404 2.300 2.588 . 0 0 "[ . 1 . 2]" 1
593 1 44 LEU HB3 1 45 LYS H . . 5.240 4.455 4.359 4.695 . 0 0 "[ . 1 . 2]" 1
594 1 44 LEU HB3 1 46 LEU MD1 . . 4.370 2.498 2.142 3.656 . 0 0 "[ . 1 . 2]" 1
595 1 44 LEU MD2 1 45 LYS H . . 5.100 4.672 4.563 4.775 . 0 0 "[ . 1 . 2]" 1
596 1 44 LEU HG 1 45 LYS H . . 5.500 4.777 4.369 4.992 . 0 0 "[ . 1 . 2]" 1
597 1 45 LYS H 1 45 LYS HA . . 2.780 2.212 2.099 2.278 . 0 0 "[ . 1 . 2]" 1
598 1 45 LYS H 1 45 LYS HB2 . . 4.160 3.081 2.765 3.443 . 0 0 "[ . 1 . 2]" 1
599 1 45 LYS H 1 45 LYS QG . . 3.590 3.265 2.433 3.682 0.092 18 0 "[ . 1 . 2]" 1
600 1 45 LYS H 1 46 LEU H . . 3.180 2.852 2.739 2.984 . 0 0 "[ . 1 . 2]" 1
601 1 45 LYS H 1 46 LEU HG . . 5.410 5.207 4.919 5.444 0.034 6 0 "[ . 1 . 2]" 1
602 1 45 LYS HA 1 45 LYS QG . . 3.270 2.225 2.073 2.451 . 0 0 "[ . 1 . 2]" 1
603 1 45 LYS HA 1 46 LEU H . . 3.210 2.987 2.732 3.197 . 0 0 "[ . 1 . 2]" 1
604 1 45 LYS HB2 1 46 LEU H . . 4.280 4.254 3.916 4.364 0.084 19 0 "[ . 1 . 2]" 1
605 1 45 LYS HB3 1 46 LEU H . . 4.700 4.198 3.931 4.446 . 0 0 "[ . 1 . 2]" 1
606 1 45 LYS HB3 1 46 LEU MD2 . . 5.500 5.293 4.467 5.593 0.093 4 0 "[ . 1 . 2]" 1
607 1 45 LYS QG 1 46 LEU H . . 4.750 4.637 4.422 4.833 0.083 15 0 "[ . 1 . 2]" 1
608 1 46 LEU H 1 46 LEU HB2 . . 3.420 2.314 2.206 2.417 . 0 0 "[ . 1 . 2]" 1
609 1 46 LEU H 1 46 LEU HB3 . . 3.570 3.586 3.516 3.630 0.060 13 0 "[ . 1 . 2]" 1
610 1 46 LEU H 1 46 LEU MD1 . . 4.580 3.623 3.128 4.048 . 0 0 "[ . 1 . 2]" 1
611 1 46 LEU H 1 46 LEU MD2 . . 4.430 4.213 3.861 4.436 0.006 7 0 "[ . 1 . 2]" 1
612 1 46 LEU H 1 46 LEU HG . . 3.730 3.138 2.745 3.524 . 0 0 "[ . 1 . 2]" 1
613 1 46 LEU H 1 47 SER H . . 5.410 4.592 4.492 4.699 . 0 0 "[ . 1 . 2]" 1
614 1 46 LEU H 1 51 VAL QG . . 5.190 4.286 4.069 4.507 . 0 0 "[ . 1 . 2]" 1
615 1 46 LEU HA 1 46 LEU MD1 . . 4.150 3.829 3.759 3.883 . 0 0 "[ . 1 . 2]" 1
616 1 46 LEU HA 1 46 LEU MD2 . . 2.980 2.260 2.127 2.532 . 0 0 "[ . 1 . 2]" 1
617 1 46 LEU HA 1 47 SER H . . 3.030 2.459 2.353 2.623 . 0 0 "[ . 1 . 2]" 1
618 1 46 LEU HA 1 50 GLN HB2 . . 5.330 4.361 4.114 4.472 . 0 0 "[ . 1 . 2]" 1
619 1 46 LEU HA 1 50 GLN QG . . 3.840 3.720 3.354 3.919 0.079 5 0 "[ . 1 . 2]" 1
620 1 46 LEU HA 1 51 VAL QG . . 4.990 4.744 4.459 5.003 0.013 11 0 "[ . 1 . 2]" 1
621 1 46 LEU HB2 1 46 LEU MD1 . . 3.470 2.261 2.196 2.339 . 0 0 "[ . 1 . 2]" 1
622 1 46 LEU HB2 1 47 SER H . . 3.900 3.815 3.560 3.965 0.065 18 0 "[ . 1 . 2]" 1
623 1 46 LEU HB2 1 50 GLN HB2 . . 4.570 3.965 3.444 4.246 . 0 0 "[ . 1 . 2]" 1
624 1 46 LEU HB2 1 51 VAL QG . . 3.400 2.734 2.452 2.958 . 0 0 "[ . 1 . 2]" 1
625 1 46 LEU HB3 1 46 LEU MD1 . . 3.150 2.531 2.368 2.687 . 0 0 "[ . 1 . 2]" 1
626 1 46 LEU HB3 1 47 SER H . . 3.360 2.496 2.175 2.679 . 0 0 "[ . 1 . 2]" 1
627 1 46 LEU HB3 1 50 GLN HB2 . . 4.550 2.347 2.141 2.546 . 0 0 "[ . 1 . 2]" 1
628 1 46 LEU HB3 1 50 GLN HB3 . . 4.870 3.466 2.974 3.829 . 0 0 "[ . 1 . 2]" 1
629 1 46 LEU HB3 1 51 VAL H . . 5.020 3.709 3.429 3.920 . 0 0 "[ . 1 . 2]" 1
630 1 46 LEU HB3 1 51 VAL QG . . 3.630 2.714 2.333 3.306 . 0 0 "[ . 1 . 2]" 1
631 1 46 LEU MD1 1 47 SER H . . 4.980 4.542 4.215 4.722 . 0 0 "[ . 1 . 2]" 1
632 1 46 LEU MD1 1 50 GLN HB2 . . 4.580 3.500 2.811 3.974 . 0 0 "[ . 1 . 2]" 1
633 1 46 LEU MD1 1 50 GLN HB3 . . 5.380 3.576 2.541 4.037 . 0 0 "[ . 1 . 2]" 1
634 1 46 LEU MD1 1 51 VAL QG . . 3.380 2.556 2.085 2.890 . 0 0 "[ . 1 . 2]" 1
635 1 46 LEU MD2 1 47 SER H . . 3.880 3.024 2.712 3.316 . 0 0 "[ . 1 . 2]" 1
636 1 46 LEU MD2 1 50 GLN HB2 . . 4.200 2.656 2.271 3.018 . 0 0 "[ . 1 . 2]" 1
637 1 46 LEU MD2 1 50 GLN HB3 . . 4.310 2.363 2.202 2.667 . 0 0 "[ . 1 . 2]" 1
638 1 46 LEU MD2 1 50 GLN HE21 . . 4.650 3.865 2.067 4.790 0.140 15 0 "[ . 1 . 2]" 1
639 1 46 LEU MD2 1 50 GLN HE22 . . 5.120 4.515 3.250 5.204 0.084 16 0 "[ . 1 . 2]" 1
640 1 46 LEU MD2 1 50 GLN QG . . 5.300 2.525 2.149 3.065 . 0 0 "[ . 1 . 2]" 1
641 1 46 LEU HG 1 47 SER H . . 5.090 4.530 4.268 4.739 . 0 0 "[ . 1 . 2]" 1
642 1 47 SER H 1 47 SER HB2 . . 3.490 2.623 2.122 3.331 . 0 0 "[ . 1 . 2]" 1
643 1 47 SER H 1 47 SER HB3 . . 3.960 3.395 2.502 3.718 . 0 0 "[ . 1 . 2]" 1
644 1 47 SER H 1 48 GLU H . . 5.500 4.598 4.463 4.762 . 0 0 "[ . 1 . 2]" 1
645 1 47 SER H 1 50 GLN H . . 4.330 3.765 3.409 3.975 . 0 0 "[ . 1 . 2]" 1
646 1 47 SER H 1 50 GLN HA . . 5.500 5.445 5.179 5.559 0.059 20 0 "[ . 1 . 2]" 1
647 1 47 SER H 1 50 GLN HB2 . . 3.640 2.923 2.579 3.186 . 0 0 "[ . 1 . 2]" 1
648 1 47 SER H 1 50 GLN HB3 . . 4.110 4.146 3.859 4.197 0.087 3 0 "[ . 1 . 2]" 1
649 1 47 SER H 1 50 GLN HE21 . . 5.500 4.708 3.574 5.578 0.078 14 0 "[ . 1 . 2]" 1
650 1 47 SER H 1 50 GLN QG . . 4.550 2.202 1.920 2.570 . 0 0 "[ . 1 . 2]" 1
651 1 47 SER H 1 51 VAL QG . . 5.500 4.205 3.821 4.678 . 0 0 "[ . 1 . 2]" 1
652 1 47 SER HA 1 48 GLU H . . 3.010 2.324 2.227 2.492 . 0 0 "[ . 1 . 2]" 1
653 1 47 SER HB2 1 48 GLU H . . 4.180 3.770 2.907 4.238 0.058 11 0 "[ . 1 . 2]" 1
654 1 47 SER HB2 1 49 VAL H . . 4.110 3.455 2.493 4.190 0.080 9 0 "[ . 1 . 2]" 1
655 1 47 SER HB2 1 49 VAL HB . . 4.630 3.575 3.006 4.662 0.032 9 0 "[ . 1 . 2]" 1
656 1 47 SER HB2 1 50 GLN H . . 4.500 2.938 2.237 4.216 . 0 0 "[ . 1 . 2]" 1
657 1 47 SER HB3 1 48 GLU H . . 3.760 3.101 2.723 3.827 0.067 10 0 "[ . 1 . 2]" 1
658 1 47 SER HB3 1 49 VAL H . . 3.570 3.078 2.403 4.040 0.470 13 0 "[ . 1 . 2]" 1
659 1 47 SER HB3 1 49 VAL HB . . 4.890 3.578 2.676 4.675 . 0 0 "[ . 1 . 2]" 1
660 1 47 SER HB3 1 49 VAL QG . . 4.650 3.832 3.000 4.589 . 0 0 "[ . 1 . 2]" 1
661 1 47 SER HB3 1 50 GLN H . . 4.330 3.471 2.208 4.567 0.237 16 0 "[ . 1 . 2]" 1
662 1 47 SER HB3 1 51 VAL QG . . 5.420 5.505 4.842 6.120 0.700 16 4 "[ * 1 * .+ -]" 1
663 1 48 GLU H 1 48 GLU QB . . 3.310 2.428 2.018 2.574 . 0 0 "[ . 1 . 2]" 1
664 1 48 GLU H 1 48 GLU HG2 . . 4.370 3.464 2.862 4.088 . 0 0 "[ . 1 . 2]" 1
665 1 48 GLU H 1 48 GLU HG3 . . 3.990 2.333 1.989 4.274 0.284 18 0 "[ . 1 . 2]" 1
666 1 48 GLU H 1 49 VAL H . . 3.410 2.823 2.643 3.017 . 0 0 "[ . 1 . 2]" 1
667 1 48 GLU H 1 50 GLN H . . 4.730 4.402 4.158 4.624 . 0 0 "[ . 1 . 2]" 1
668 1 48 GLU H 1 51 VAL QG . . 5.500 4.594 4.208 4.961 . 0 0 "[ . 1 . 2]" 1
669 1 48 GLU HA 1 48 GLU HG2 . . 3.700 2.616 2.216 3.075 . 0 0 "[ . 1 . 2]" 1
670 1 48 GLU HA 1 48 GLU HG3 . . 3.820 3.081 2.771 3.391 . 0 0 "[ . 1 . 2]" 1
671 1 48 GLU HA 1 51 VAL H . . 3.980 3.702 3.317 3.931 . 0 0 "[ . 1 . 2]" 1
672 1 48 GLU HA 1 51 VAL QG . . 4.020 3.099 2.646 3.406 . 0 0 "[ . 1 . 2]" 1
673 1 48 GLU HA 1 52 LYS H . . 4.730 4.195 3.854 4.716 . 0 0 "[ . 1 . 2]" 1
674 1 48 GLU QB 1 49 VAL H . . 3.780 2.491 2.235 2.790 . 0 0 "[ . 1 . 2]" 1
675 1 48 GLU HG2 1 49 VAL H . . 5.110 4.973 4.297 5.160 0.050 1 0 "[ . 1 . 2]" 1
676 1 48 GLU HG2 1 51 VAL QG . . 5.120 4.727 3.793 4.969 . 0 0 "[ . 1 . 2]" 1
677 1 48 GLU HG3 1 49 VAL H . . 4.460 4.410 4.124 5.094 0.634 18 1 "[ . 1 . + 2]" 1
678 1 49 VAL H 1 49 VAL HB . . 2.720 2.419 2.278 2.538 . 0 0 "[ . 1 . 2]" 1
679 1 49 VAL H 1 49 VAL QG . . 3.140 2.115 1.919 2.375 . 0 0 "[ . 1 . 2]" 1
680 1 49 VAL H 1 50 GLN H . . 3.210 2.780 2.583 2.926 . 0 0 "[ . 1 . 2]" 1
681 1 49 VAL H 1 52 LYS H . . 5.190 4.726 4.550 4.914 . 0 0 "[ . 1 . 2]" 1
682 1 49 VAL HA 1 52 LYS H . . 4.010 3.316 3.107 3.575 . 0 0 "[ . 1 . 2]" 1
683 1 49 VAL HA 1 52 LYS HB2 . . 4.500 4.121 2.707 4.585 0.085 4 0 "[ . 1 . 2]" 1
684 1 49 VAL HA 1 52 LYS HB3 . . 3.750 2.876 2.165 3.335 . 0 0 "[ . 1 . 2]" 1
685 1 49 VAL HA 1 52 LYS QE . . 4.960 2.918 2.013 4.291 . 0 0 "[ . 1 . 2]" 1
686 1 49 VAL HB 1 50 GLN H . . 3.190 2.809 2.534 3.000 . 0 0 "[ . 1 . 2]" 1
687 1 49 VAL QG 1 50 GLN H . . 3.470 3.302 3.151 3.371 . 0 0 "[ . 1 . 2]" 1
688 1 49 VAL QG 1 50 GLN HA . . 3.940 3.532 3.301 3.662 . 0 0 "[ . 1 . 2]" 1
689 1 49 VAL QG 1 50 GLN QG . . 4.390 3.859 3.640 4.177 . 0 0 "[ . 1 . 2]" 1
690 1 49 VAL QG 1 52 LYS HB3 . . 5.380 3.895 2.974 4.404 . 0 0 "[ . 1 . 2]" 1
691 1 49 VAL QG 1 52 LYS HD3 . . 4.640 3.232 2.184 4.269 . 0 0 "[ . 1 . 2]" 1
692 1 49 VAL QG 1 52 LYS QE . . 4.190 2.476 1.783 3.650 . 0 0 "[ . 1 . 2]" 1
693 1 49 VAL QG 1 52 LYS HG2 . . 4.200 3.422 2.654 4.152 . 0 0 "[ . 1 . 2]" 1
694 1 49 VAL QG 1 53 ILE MD . . 2.770 2.153 2.007 2.505 . 0 0 "[ . 1 . 2]" 1
695 1 49 VAL QG 1 53 ILE HG12 . . 4.240 3.750 2.467 4.395 0.155 15 0 "[ . 1 . 2]" 1
696 1 50 GLN H 1 50 GLN HB2 . . 3.170 2.526 2.395 2.725 . 0 0 "[ . 1 . 2]" 1
697 1 50 GLN H 1 50 GLN HB3 . . 3.510 3.569 3.550 3.583 0.073 16 0 "[ . 1 . 2]" 1
698 1 50 GLN H 1 50 GLN HE22 . . 5.500 5.561 4.241 6.187 0.687 11 3 "[ . 1+ - * 2]" 1
699 1 50 GLN H 1 50 GLN QG . . 3.250 2.180 1.959 2.436 . 0 0 "[ . 1 . 2]" 1
700 1 50 GLN HA 1 50 GLN HE21 . . 5.480 4.046 2.119 4.779 . 0 0 "[ . 1 . 2]" 1
701 1 50 GLN HA 1 50 GLN HE22 . . 4.700 4.401 3.493 5.035 0.335 15 0 "[ . 1 . 2]" 1
702 1 50 GLN HA 1 50 GLN QG . . 3.200 2.933 2.598 3.262 0.062 3 0 "[ . 1 . 2]" 1
703 1 50 GLN HA 1 53 ILE H . . 4.410 3.654 3.259 3.865 . 0 0 "[ . 1 . 2]" 1
704 1 50 GLN HA 1 53 ILE HB . . 3.680 3.081 2.892 3.361 . 0 0 "[ . 1 . 2]" 1
705 1 50 GLN HA 1 53 ILE MD . . 4.180 2.775 2.298 4.267 0.087 11 0 "[ . 1 . 2]" 1
706 1 50 GLN HA 1 53 ILE HG13 . . 5.240 4.154 3.793 4.304 . 0 0 "[ . 1 . 2]" 1
707 1 50 GLN HA 1 54 TRP H . . 4.650 4.464 4.235 4.696 0.046 15 0 "[ . 1 . 2]" 1
708 1 50 GLN HB2 1 50 GLN HE22 . . 5.500 5.209 4.914 5.465 . 0 0 "[ . 1 . 2]" 1
709 1 50 GLN HB2 1 51 VAL QG . . 4.720 3.015 2.796 3.244 . 0 0 "[ . 1 . 2]" 1
710 1 50 GLN HB3 1 50 GLN HE22 . . 4.920 4.226 3.611 4.799 . 0 0 "[ . 1 . 2]" 1
711 1 50 GLN HB3 1 51 VAL HA . . 5.380 4.487 4.198 4.854 . 0 0 "[ . 1 . 2]" 1
712 1 50 GLN HE22 1 50 GLN QG . . 3.670 3.321 3.174 3.554 . 0 0 "[ . 1 . 2]" 1
713 1 51 VAL H 1 51 VAL HB . . 3.220 2.558 2.339 2.795 . 0 0 "[ . 1 . 2]" 1
714 1 51 VAL H 1 51 VAL QG . . 3.060 2.022 1.918 2.118 . 0 0 "[ . 1 . 2]" 1
715 1 51 VAL H 1 52 LYS H . . 3.500 2.796 2.637 2.920 . 0 0 "[ . 1 . 2]" 1
716 1 51 VAL H 1 53 ILE H . . 5.500 4.192 4.059 4.376 . 0 0 "[ . 1 . 2]" 1
717 1 51 VAL HA 1 51 VAL QG . . 2.870 2.143 2.094 2.200 . 0 0 "[ . 1 . 2]" 1
718 1 51 VAL HA 1 54 TRP H . . 4.840 3.252 2.926 3.454 . 0 0 "[ . 1 . 2]" 1
719 1 51 VAL HA 1 54 TRP HB3 . . 4.030 3.157 2.844 3.511 . 0 0 "[ . 1 . 2]" 1
720 1 51 VAL HB 1 52 LYS H . . 3.560 2.628 2.370 3.015 . 0 0 "[ . 1 . 2]" 1
721 1 51 VAL QG 1 52 LYS H . . 4.240 3.281 3.110 3.525 . 0 0 "[ . 1 . 2]" 1
722 1 51 VAL QG 1 52 LYS HA . . 4.550 3.643 3.343 4.015 . 0 0 "[ . 1 . 2]" 1
723 1 51 VAL QG 1 54 TRP HB3 . . 4.400 3.672 3.241 4.164 . 0 0 "[ . 1 . 2]" 1
724 1 51 VAL QG 1 55 PHE H . . 5.360 3.799 3.631 4.002 . 0 0 "[ . 1 . 2]" 1
725 1 51 VAL QG 1 55 PHE QD . . 3.530 2.336 2.156 2.692 . 0 0 "[ . 1 . 2]" 1
726 1 51 VAL QG 1 55 PHE QE . . 3.910 2.147 1.967 2.319 . 0 0 "[ . 1 . 2]" 1
727 1 52 LYS H 1 52 LYS HB2 . . 3.480 3.194 2.437 3.554 0.074 6 0 "[ . 1 . 2]" 1
728 1 52 LYS H 1 52 LYS HB3 . . 3.220 2.308 2.189 2.624 . 0 0 "[ . 1 . 2]" 1
729 1 52 LYS H 1 52 LYS HD3 . . 5.160 4.408 3.921 5.069 . 0 0 "[ . 1 . 2]" 1
730 1 52 LYS H 1 52 LYS HG2 . . 4.630 3.518 2.733 4.541 . 0 0 "[ . 1 . 2]" 1
731 1 52 LYS H 1 53 ILE H . . 4.010 2.817 2.654 2.989 . 0 0 "[ . 1 . 2]" 1
732 1 52 LYS HA 1 52 LYS HD2 . . 5.500 4.734 4.427 4.925 . 0 0 "[ . 1 . 2]" 1
733 1 52 LYS HA 1 52 LYS HD3 . . 5.290 4.738 4.084 5.447 0.157 17 0 "[ . 1 . 2]" 1
734 1 52 LYS HA 1 52 LYS HG2 . . 3.820 3.641 3.268 3.889 0.069 4 0 "[ . 1 . 2]" 1
735 1 52 LYS HA 1 52 LYS HG3 . . 3.580 3.291 2.398 3.674 0.094 15 0 "[ . 1 . 2]" 1
736 1 52 LYS HA 1 55 PHE H . . 5.340 3.770 3.525 4.154 . 0 0 "[ . 1 . 2]" 1
737 1 52 LYS HA 1 55 PHE HB2 . . 5.190 2.972 2.537 3.381 . 0 0 "[ . 1 . 2]" 1
738 1 52 LYS HA 1 55 PHE HB3 . . 4.800 4.494 4.033 4.876 0.076 6 0 "[ . 1 . 2]" 1
739 1 52 LYS HA 1 55 PHE QD . . 5.500 4.027 3.156 4.699 . 0 0 "[ . 1 . 2]" 1
740 1 52 LYS HA 1 56 GLN H . . 4.690 4.115 3.746 4.474 . 0 0 "[ . 1 . 2]" 1
741 1 52 LYS HB2 1 53 ILE H . . 4.270 4.204 3.924 4.326 0.056 10 0 "[ . 1 . 2]" 1
742 1 52 LYS HB3 1 52 LYS HD2 . . 3.870 3.156 2.205 3.898 0.028 8 0 "[ . 1 . 2]" 1
743 1 52 LYS HB3 1 52 LYS HD3 . . 3.910 2.741 2.204 3.473 . 0 0 "[ . 1 . 2]" 1
744 1 52 LYS HB3 1 52 LYS QE . . 3.630 3.289 2.165 3.737 0.107 6 0 "[ . 1 . 2]" 1
745 1 52 LYS HB3 1 53 ILE H . . 3.860 3.498 2.688 3.938 0.078 15 0 "[ . 1 . 2]" 1
746 1 52 LYS QE 1 52 LYS HG2 . . 2.990 2.466 2.131 3.213 0.223 15 0 "[ . 1 . 2]" 1
747 1 52 LYS QE 1 53 ILE MD . . 4.590 3.921 2.429 4.699 0.109 15 0 "[ . 1 . 2]" 1
748 1 52 LYS QE 1 53 ILE HG13 . . 5.040 3.741 2.884 5.129 0.089 11 0 "[ . 1 . 2]" 1
749 1 52 LYS QE 1 56 GLN HE21 . . 5.280 4.251 3.577 4.696 . 0 0 "[ . 1 . 2]" 1
750 1 52 LYS HG2 1 53 ILE H . . 5.310 2.975 2.409 3.966 . 0 0 "[ . 1 . 2]" 1
751 1 52 LYS HG2 1 56 GLN HE21 . . 5.500 3.655 2.136 4.966 . 0 0 "[ . 1 . 2]" 1
752 1 52 LYS HG2 1 56 GLN HG2 . . 5.500 5.175 4.102 5.921 0.421 15 0 "[ . 1 . 2]" 1
753 1 52 LYS HG3 1 53 ILE H . . 5.500 3.854 2.902 4.835 . 0 0 "[ . 1 . 2]" 1
754 1 53 ILE H 1 53 ILE HB . . 3.140 2.472 2.332 2.698 . 0 0 "[ . 1 . 2]" 1
755 1 53 ILE H 1 53 ILE MD . . 4.080 3.319 2.627 3.538 . 0 0 "[ . 1 . 2]" 1
756 1 53 ILE H 1 53 ILE HG12 . . 3.550 3.618 2.447 3.818 0.268 6 0 "[ . 1 . 2]" 1
757 1 53 ILE H 1 53 ILE HG13 . . 3.770 2.530 2.255 3.837 0.067 2 0 "[ . 1 . 2]" 1
758 1 53 ILE H 1 53 ILE MG . . 3.910 3.798 3.748 3.844 . 0 0 "[ . 1 . 2]" 1
759 1 53 ILE H 1 54 TRP H . . 3.900 2.657 2.517 2.837 . 0 0 "[ . 1 . 2]" 1
760 1 53 ILE H 1 55 PHE H . . 4.850 4.428 4.235 4.560 . 0 0 "[ . 1 . 2]" 1
761 1 53 ILE HA 1 53 ILE MD . . 4.320 3.739 2.242 3.951 . 0 0 "[ . 1 . 2]" 1
762 1 53 ILE HA 1 53 ILE HG12 . . 3.580 2.770 2.536 3.525 . 0 0 "[ . 1 . 2]" 1
763 1 53 ILE HA 1 53 ILE HG13 . . 3.560 2.898 2.697 3.642 0.082 2 0 "[ . 1 . 2]" 1
764 1 53 ILE HA 1 53 ILE MG . . 3.140 2.432 2.272 2.544 . 0 0 "[ . 1 . 2]" 1
765 1 53 ILE HA 1 56 GLN H . . 3.760 3.656 3.522 3.811 0.051 6 0 "[ . 1 . 2]" 1
766 1 53 ILE HA 1 56 GLN HB3 . . 3.970 4.052 4.013 4.064 0.094 6 0 "[ . 1 . 2]" 1
767 1 53 ILE HA 1 56 GLN HE21 . . 5.240 2.620 2.090 3.662 . 0 0 "[ . 1 . 2]" 1
768 1 53 ILE HA 1 56 GLN HG2 . . 4.470 2.088 1.982 2.395 . 0 0 "[ . 1 . 2]" 1
769 1 53 ILE HA 1 56 GLN HG3 . . 4.200 3.339 3.056 3.778 . 0 0 "[ . 1 . 2]" 1
770 1 53 ILE HB 1 53 ILE MD . . 3.270 2.425 2.285 3.293 0.023 11 0 "[ . 1 . 2]" 1
771 1 53 ILE HB 1 54 TRP H . . 3.540 2.927 2.787 3.076 . 0 0 "[ . 1 . 2]" 1
772 1 53 ILE HB 1 55 PHE H . . 5.500 5.484 5.366 5.573 0.073 19 0 "[ . 1 . 2]" 1
773 1 53 ILE MD 1 53 ILE MG . . 2.940 2.152 2.093 2.338 . 0 0 "[ . 1 . 2]" 1
774 1 53 ILE MD 1 54 TRP H . . 5.410 4.689 4.557 4.846 . 0 0 "[ . 1 . 2]" 1
775 1 53 ILE MD 1 56 GLN HE21 . . 5.490 5.048 2.815 5.594 0.104 16 0 "[ . 1 . 2]" 1
776 1 53 ILE MD 1 57 ASN HD22 . . 5.500 5.324 4.795 5.591 0.091 8 0 "[ . 1 . 2]" 1
777 1 53 ILE HG12 1 53 ILE MG . . 3.540 2.367 2.230 3.137 . 0 0 "[ . 1 . 2]" 1
778 1 53 ILE HG12 1 54 TRP H . . 5.080 5.234 4.485 5.448 0.368 19 0 "[ . 1 . 2]" 1
779 1 53 ILE HG13 1 53 ILE MG . . 3.320 3.096 2.116 3.232 . 0 0 "[ . 1 . 2]" 1
780 1 53 ILE HG13 1 54 TRP H . . 5.500 4.658 4.504 5.388 . 0 0 "[ . 1 . 2]" 1
781 1 53 ILE MG 1 54 TRP H . . 3.850 3.631 3.425 3.912 0.062 11 0 "[ . 1 . 2]" 1
782 1 53 ILE MG 1 54 TRP HA . . 4.640 3.548 3.346 3.841 . 0 0 "[ . 1 . 2]" 1
783 1 53 ILE MG 1 54 TRP HB2 . . 5.500 4.621 4.371 4.892 . 0 0 "[ . 1 . 2]" 1
784 1 53 ILE MG 1 56 GLN H . . 5.500 4.955 4.745 5.140 . 0 0 "[ . 1 . 2]" 1
785 1 53 ILE MG 1 56 GLN HB2 . . 5.500 5.574 5.449 5.603 0.103 13 0 "[ . 1 . 2]" 1
786 1 53 ILE MG 1 56 GLN HB3 . . 5.500 5.437 5.273 5.545 0.045 4 0 "[ . 1 . 2]" 1
787 1 53 ILE MG 1 56 GLN HE21 . . 5.500 4.338 3.973 4.930 . 0 0 "[ . 1 . 2]" 1
788 1 53 ILE MG 1 56 GLN HG2 . . 5.500 3.511 3.344 3.673 . 0 0 "[ . 1 . 2]" 1
789 1 53 ILE MG 1 57 ASN H . . 5.000 4.234 3.926 4.435 . 0 0 "[ . 1 . 2]" 1
790 1 53 ILE MG 1 57 ASN HB2 . . 4.630 3.778 3.511 3.988 . 0 0 "[ . 1 . 2]" 1
791 1 53 ILE MG 1 57 ASN HB3 . . 5.310 4.813 4.504 5.047 . 0 0 "[ . 1 . 2]" 1
792 1 53 ILE MG 1 57 ASN HD21 . . 3.740 2.401 2.159 2.700 . 0 0 "[ . 1 . 2]" 1
793 1 53 ILE MG 1 57 ASN HD22 . . 3.500 2.571 2.261 2.823 . 0 0 "[ . 1 . 2]" 1
794 1 54 TRP H 1 54 TRP HB2 . . 3.380 2.380 2.241 2.476 . 0 0 "[ . 1 . 2]" 1
795 1 54 TRP H 1 54 TRP HB3 . . 3.390 2.764 2.665 2.857 . 0 0 "[ . 1 . 2]" 1
796 1 54 TRP H 1 55 PHE H . . 3.680 2.752 2.621 2.863 . 0 0 "[ . 1 . 2]" 1
797 1 54 TRP H 1 56 GLN H . . 5.260 4.306 4.119 4.510 . 0 0 "[ . 1 . 2]" 1
798 1 54 TRP H 1 57 ASN HB2 . . 5.400 5.013 4.922 5.090 . 0 0 "[ . 1 . 2]" 1
799 1 54 TRP HA 1 54 TRP HD1 . . 4.450 3.363 3.122 3.672 . 0 0 "[ . 1 . 2]" 1
800 1 54 TRP HA 1 57 ASN HB2 . . 4.010 2.685 2.456 2.770 . 0 0 "[ . 1 . 2]" 1
801 1 54 TRP HA 1 57 ASN HB3 . . 4.100 4.138 3.954 4.177 0.077 14 0 "[ . 1 . 2]" 1
802 1 54 TRP HA 1 57 ASN HD21 . . 4.770 3.933 3.581 4.276 . 0 0 "[ . 1 . 2]" 1
803 1 54 TRP HA 1 57 ASN HD22 . . 5.500 5.322 5.009 5.573 0.073 6 0 "[ . 1 . 2]" 1
804 1 54 TRP HA 1 58 GLU H . . 5.500 4.261 3.962 4.582 . 0 0 "[ . 1 . 2]" 1
805 1 54 TRP HB2 1 55 PHE H . . 4.260 3.655 3.541 3.812 . 0 0 "[ . 1 . 2]" 1
806 1 54 TRP HB3 1 55 PHE H . . 3.240 2.445 2.316 2.649 . 0 0 "[ . 1 . 2]" 1
807 1 54 TRP HD1 1 57 ASN HB2 . . 5.500 5.505 5.205 5.579 0.079 9 0 "[ . 1 . 2]" 1
808 1 54 TRP HZ3 1 58 GLU QB . . 4.800 3.110 2.736 4.011 . 0 0 "[ . 1 . 2]" 1
809 1 55 PHE H 1 55 PHE HB2 . . 3.730 2.294 2.182 2.375 . 0 0 "[ . 1 . 2]" 1
810 1 55 PHE H 1 55 PHE HB3 . . 3.720 3.561 3.482 3.610 . 0 0 "[ . 1 . 2]" 1
811 1 55 PHE H 1 55 PHE QD . . 3.930 2.347 1.993 2.819 . 0 0 "[ . 1 . 2]" 1
812 1 55 PHE H 1 56 GLN H . . 3.560 2.955 2.872 3.059 . 0 0 "[ . 1 . 2]" 1
813 1 55 PHE H 1 58 GLU H . . 5.500 4.892 4.769 5.071 . 0 0 "[ . 1 . 2]" 1
814 1 55 PHE HA 1 55 PHE QD . . 4.230 3.064 2.818 3.197 . 0 0 "[ . 1 . 2]" 1
815 1 55 PHE HA 1 58 GLU H . . 4.580 3.588 3.250 3.863 . 0 0 "[ . 1 . 2]" 1
816 1 55 PHE HA 1 58 GLU QB . . 4.380 3.012 2.621 4.120 . 0 0 "[ . 1 . 2]" 1
817 1 55 PHE HB2 1 55 PHE QE . . 4.990 4.502 4.464 4.549 . 0 0 "[ . 1 . 2]" 1
818 1 55 PHE HB2 1 56 GLN H . . 4.200 2.858 2.656 3.093 . 0 0 "[ . 1 . 2]" 1
819 1 55 PHE HB3 1 56 GLN H . . 3.990 3.370 3.049 3.675 . 0 0 "[ . 1 . 2]" 1
820 1 56 GLN H 1 56 GLN HB3 . . 3.230 2.600 2.501 2.733 . 0 0 "[ . 1 . 2]" 1
821 1 56 GLN H 1 56 GLN HG2 . . 3.940 2.221 2.048 2.412 . 0 0 "[ . 1 . 2]" 1
822 1 56 GLN H 1 56 GLN HG3 . . 3.740 3.418 3.110 3.701 . 0 0 "[ . 1 . 2]" 1
823 1 56 GLN H 1 57 ASN H . . 3.340 2.709 2.548 2.877 . 0 0 "[ . 1 . 2]" 1
824 1 56 GLN H 1 57 ASN HB2 . . 4.930 4.614 4.426 4.793 . 0 0 "[ . 1 . 2]" 1
825 1 56 GLN H 1 58 GLU H . . 4.940 4.117 3.877 4.374 . 0 0 "[ . 1 . 2]" 1
826 1 56 GLN HA 1 56 GLN HE21 . . 5.390 4.925 4.556 5.235 . 0 0 "[ . 1 . 2]" 1
827 1 56 GLN HA 1 56 GLN HG2 . . 3.890 3.742 3.694 3.832 . 0 0 "[ . 1 . 2]" 1
828 1 56 GLN HA 1 56 GLN HG3 . . 3.660 3.737 3.727 3.744 0.084 7 0 "[ . 1 . 2]" 1
829 1 56 GLN HA 1 59 ARG H . . 4.910 3.463 3.180 3.613 . 0 0 "[ . 1 . 2]" 1
830 1 56 GLN HA 1 59 ARG HA . . 5.460 5.445 5.091 5.545 0.085 11 0 "[ . 1 . 2]" 1
831 1 56 GLN HA 1 59 ARG HB2 . . 4.260 3.315 2.244 4.788 0.528 11 3 "[ * . 1+ . - 2]" 1
832 1 56 GLN HA 1 59 ARG HB3 . . 4.730 3.532 2.704 4.439 . 0 0 "[ . 1 . 2]" 1
833 1 56 GLN HA 1 60 ALA H . . 5.500 4.319 3.900 5.014 . 0 0 "[ . 1 . 2]" 1
834 1 56 GLN HB2 1 56 GLN HE22 . . 5.410 4.299 3.737 4.596 . 0 0 "[ . 1 . 2]" 1
835 1 56 GLN HB2 1 57 ASN H . . 3.860 3.862 3.728 3.937 0.077 11 0 "[ . 1 . 2]" 1
836 1 56 GLN HB2 1 57 ASN HD22 . . 5.490 5.463 5.069 5.567 0.077 7 0 "[ . 1 . 2]" 1
837 1 56 GLN HB2 1 58 GLU H . . 5.380 5.464 5.445 5.476 0.096 2 0 "[ . 1 . 2]" 1
838 1 56 GLN HB2 1 60 ALA MB . . 5.290 4.714 4.037 5.384 0.094 14 0 "[ . 1 . 2]" 1
839 1 56 GLN HB3 1 56 GLN HE21 . . 4.600 2.540 2.121 2.862 . 0 0 "[ . 1 . 2]" 1
840 1 56 GLN HB3 1 56 GLN HG2 . . 2.990 2.402 2.293 2.559 . 0 0 "[ . 1 . 2]" 1
841 1 56 GLN HE22 1 57 ASN HD21 . . 5.080 5.159 5.145 5.168 0.088 16 0 "[ . 1 . 2]" 1
842 1 56 GLN HG2 1 57 ASN H . . 4.650 2.676 2.271 2.990 . 0 0 "[ . 1 . 2]" 1
843 1 56 GLN HG2 1 57 ASN HD22 . . 4.420 4.210 3.642 4.473 0.053 10 0 "[ . 1 . 2]" 1
844 1 56 GLN HG3 1 57 ASN H . . 4.500 2.492 2.119 2.872 . 0 0 "[ . 1 . 2]" 1
845 1 56 GLN HG3 1 57 ASN HD22 . . 4.430 3.214 2.825 3.320 . 0 0 "[ . 1 . 2]" 1
846 1 57 ASN H 1 57 ASN HB2 . . 3.150 2.179 2.156 2.218 . 0 0 "[ . 1 . 2]" 1
847 1 57 ASN H 1 57 ASN HB3 . . 3.380 3.443 3.422 3.455 0.075 14 0 "[ . 1 . 2]" 1
848 1 57 ASN H 1 57 ASN HD21 . . 4.280 2.626 2.359 2.882 . 0 0 "[ . 1 . 2]" 1
849 1 57 ASN H 1 57 ASN HD22 . . 4.720 4.170 3.965 4.384 . 0 0 "[ . 1 . 2]" 1
850 1 57 ASN H 1 58 GLU H . . 3.430 2.445 2.233 2.629 . 0 0 "[ . 1 . 2]" 1
851 1 57 ASN H 1 60 ALA MB . . 5.500 5.107 4.618 5.465 . 0 0 "[ . 1 . 2]" 1
852 1 57 ASN HA 1 57 ASN HD21 . . 3.840 3.405 3.044 3.714 . 0 0 "[ . 1 . 2]" 1
853 1 57 ASN HA 1 57 ASN HD22 . . 4.950 3.838 3.671 4.022 . 0 0 "[ . 1 . 2]" 1
854 1 57 ASN HA 1 59 ARG H . . 5.450 4.687 4.321 4.932 . 0 0 "[ . 1 . 2]" 1
855 1 57 ASN HA 1 60 ALA H . . 3.880 3.800 3.522 3.962 0.082 11 0 "[ . 1 . 2]" 1
856 1 57 ASN HA 1 60 ALA MB . . 3.260 3.103 2.626 3.354 0.094 5 0 "[ . 1 . 2]" 1
857 1 57 ASN HA 1 61 LYS H . . 4.850 4.362 3.979 4.928 0.078 6 0 "[ . 1 . 2]" 1
858 1 57 ASN HB2 1 57 ASN HD21 . . 3.540 2.526 2.394 2.784 . 0 0 "[ . 1 . 2]" 1
859 1 57 ASN HB2 1 57 ASN HD22 . . 3.940 3.679 3.631 3.771 . 0 0 "[ . 1 . 2]" 1
860 1 57 ASN HB2 1 58 GLU H . . 3.930 3.011 2.788 3.290 . 0 0 "[ . 1 . 2]" 1
861 1 57 ASN HB3 1 58 GLU H . . 3.880 3.472 3.261 3.786 . 0 0 "[ . 1 . 2]" 1
862 1 57 ASN HB3 1 60 ALA MB . . 5.280 4.979 4.570 5.359 0.079 13 0 "[ . 1 . 2]" 1
863 1 57 ASN HD21 1 58 GLU H . . 5.500 4.784 4.566 4.975 . 0 0 "[ . 1 . 2]" 1
864 1 58 GLU H 1 58 GLU QB . . 3.610 2.292 2.200 2.789 . 0 0 "[ . 1 . 2]" 1
865 1 58 GLU H 1 60 ALA H . . 4.970 3.933 3.796 4.167 . 0 0 "[ . 1 . 2]" 1
866 1 58 GLU HA 1 58 GLU HG3 . . 3.560 2.966 2.573 3.647 0.087 5 0 "[ . 1 . 2]" 1
867 1 58 GLU HA 1 60 ALA H . . 5.480 4.070 3.602 4.337 . 0 0 "[ . 1 . 2]" 1
868 1 58 GLU HA 1 60 ALA MB . . 5.220 4.843 4.562 5.150 . 0 0 "[ . 1 . 2]" 1
869 1 58 GLU HA 1 61 LYS H . . 3.880 3.218 2.784 3.476 . 0 0 "[ . 1 . 2]" 1
870 1 58 GLU HA 1 61 LYS QB . . 3.430 3.113 2.188 3.524 0.094 6 0 "[ . 1 . 2]" 1
871 1 58 GLU HA 1 61 LYS QD . . 3.970 3.241 2.457 4.078 0.108 17 0 "[ . 1 . 2]" 1
872 1 58 GLU HA 1 61 LYS QE . . 4.450 3.982 2.820 4.544 0.094 14 0 "[ . 1 . 2]" 1
873 1 58 GLU QB 1 59 ARG H . . 4.270 2.708 2.315 3.591 . 0 0 "[ . 1 . 2]" 1
874 1 58 GLU QB 1 60 ALA H . . 5.500 4.666 4.498 5.037 . 0 0 "[ . 1 . 2]" 1
875 1 59 ARG H 1 59 ARG HB2 . . 4.010 2.497 2.040 3.547 . 0 0 "[ . 1 . 2]" 1
876 1 59 ARG H 1 59 ARG HB3 . . 3.460 2.993 2.392 3.547 0.087 6 0 "[ . 1 . 2]" 1
877 1 59 ARG H 1 59 ARG QG . . 4.630 3.328 2.410 4.153 . 0 0 "[ . 1 . 2]" 1
878 1 59 ARG H 1 60 ALA H . . 3.460 2.764 2.609 2.950 . 0 0 "[ . 1 . 2]" 1
879 1 59 ARG HA 1 59 ARG HD3 . . 5.350 4.276 2.703 4.932 . 0 0 "[ . 1 . 2]" 1
880 1 59 ARG HA 1 59 ARG QG . . 3.980 2.504 2.097 3.356 . 0 0 "[ . 1 . 2]" 1
881 1 59 ARG HA 1 62 TRP H . . 4.280 3.782 3.468 4.119 . 0 0 "[ . 1 . 2]" 1
882 1 59 ARG HA 1 62 TRP HB2 . . 4.180 3.835 3.243 4.254 0.074 5 0 "[ . 1 . 2]" 1
883 1 59 ARG HA 1 62 TRP HB3 . . 3.990 3.300 2.758 3.680 . 0 0 "[ . 1 . 2]" 1
884 1 59 ARG HB2 1 60 ALA H . . 3.820 3.621 2.676 3.908 0.088 5 0 "[ . 1 . 2]" 1
885 1 59 ARG HB3 1 60 ALA H . . 3.730 3.305 2.670 3.887 0.157 11 0 "[ . 1 . 2]" 1
886 1 60 ALA H 1 60 ALA MB . . 2.770 2.314 2.186 2.457 . 0 0 "[ . 1 . 2]" 1
887 1 60 ALA H 1 63 LYS H . . 4.460 4.516 4.268 4.553 0.093 6 0 "[ . 1 . 2]" 1
888 1 60 ALA HA 1 61 LYS HA . . 4.710 4.721 4.502 4.785 0.075 20 0 "[ . 1 . 2]" 1
889 1 60 ALA HA 1 63 LYS H . . 3.890 3.399 3.220 3.832 . 0 0 "[ . 1 . 2]" 1
890 1 60 ALA HA 1 63 LYS QB . . 3.350 2.519 2.227 2.900 . 0 0 "[ . 1 . 2]" 1
891 1 60 ALA HA 1 63 LYS QD . . 4.330 4.295 3.966 4.422 0.092 15 0 "[ . 1 . 2]" 1
892 1 60 ALA HA 1 63 LYS HG2 . . 5.500 5.036 4.528 5.449 . 0 0 "[ . 1 . 2]" 1
893 1 60 ALA MB 1 61 LYS H . . 3.720 2.621 2.400 3.276 . 0 0 "[ . 1 . 2]" 1
894 1 60 ALA MB 1 63 LYS QB . . 3.880 3.968 3.760 4.019 0.139 5 0 "[ . 1 . 2]" 1
895 1 61 LYS H 1 61 LYS QB . . 2.990 2.235 1.936 2.687 . 0 0 "[ . 1 . 2]" 1
896 1 61 LYS H 1 61 LYS QD . . 4.300 4.132 3.866 4.374 0.074 18 0 "[ . 1 . 2]" 1
897 1 61 LYS H 1 61 LYS HG2 . . 4.430 3.457 2.668 4.487 0.057 13 0 "[ . 1 . 2]" 1
898 1 61 LYS H 1 61 LYS HG3 . . 3.770 3.835 2.594 4.435 0.665 5 5 "[** + 1 . -*]" 1
899 1 61 LYS H 1 62 TRP H . . 3.420 2.648 2.206 2.786 . 0 0 "[ . 1 . 2]" 1
900 1 61 LYS H 1 62 TRP HB3 . . 5.250 5.227 4.594 5.324 0.074 10 0 "[ . 1 . 2]" 1
901 1 61 LYS HA 1 61 LYS QD . . 4.340 4.113 3.629 4.410 0.070 1 0 "[ . 1 . 2]" 1
902 1 61 LYS HA 1 61 LYS QE . . 5.240 4.989 4.006 5.325 0.085 17 0 "[ . 1 . 2]" 1
903 1 61 LYS HA 1 61 LYS HG2 . . 4.090 3.693 2.500 4.181 0.091 10 0 "[ . 1 . 2]" 1
904 1 61 LYS HA 1 61 LYS HG3 . . 3.920 3.354 2.416 3.823 . 0 0 "[ . 1 . 2]" 1
905 1 61 LYS HA 1 64 ARG QB . . 3.510 3.434 2.576 3.601 0.091 14 0 "[ . 1 . 2]" 1
906 1 61 LYS HA 1 64 ARG QD . . 4.580 3.363 2.019 4.643 0.063 11 0 "[ . 1 . 2]" 1
907 1 61 LYS HA 1 64 ARG QG . . 4.740 3.377 2.385 4.507 . 0 0 "[ . 1 . 2]" 1
908 1 61 LYS QB 1 61 LYS QE . . 3.910 3.160 2.213 3.896 . 0 0 "[ . 1 . 2]" 1
909 1 61 LYS QB 1 62 TRP H . . 3.600 3.301 2.694 3.667 0.067 17 0 "[ . 1 . 2]" 1
910 1 61 LYS QB 1 62 TRP HA . . 4.660 4.624 3.846 4.746 0.086 6 0 "[ . 1 . 2]" 1
911 1 61 LYS QB 1 65 ILE MD . . 5.500 4.682 4.107 5.344 . 0 0 "[ . 1 . 2]" 1
912 1 61 LYS QD 1 61 LYS HG3 . . 2.400 2.365 2.155 2.595 0.195 6 0 "[ . 1 . 2]" 1
913 1 61 LYS QD 1 62 TRP H . . 5.470 4.243 2.987 5.455 . 0 0 "[ . 1 . 2]" 1
914 1 61 LYS QE 1 61 LYS HG2 . . 3.920 2.545 1.998 3.409 . 0 0 "[ . 1 . 2]" 1
915 1 61 LYS QE 1 65 ILE MD . . 4.900 4.075 3.134 4.994 0.094 1 0 "[ . 1 . 2]" 1
916 1 61 LYS HG2 1 65 ILE MD . . 5.500 4.611 3.052 5.784 0.284 14 0 "[ . 1 . 2]" 1
917 1 61 LYS HG3 1 62 TRP H . . 5.500 3.459 2.337 5.220 . 0 0 "[ . 1 . 2]" 1
918 1 62 TRP H 1 62 TRP HB2 . . 3.430 2.297 2.157 2.427 . 0 0 "[ . 1 . 2]" 1
919 1 62 TRP H 1 62 TRP HB3 . . 3.320 2.813 2.693 2.904 . 0 0 "[ . 1 . 2]" 1
920 1 62 TRP HA 1 62 TRP HD1 . . 3.920 3.447 3.308 3.670 . 0 0 "[ . 1 . 2]" 1
921 1 62 TRP HA 1 62 TRP HE1 . . 5.500 4.916 4.718 5.100 . 0 0 "[ . 1 . 2]" 1
922 1 62 TRP HA 1 62 TRP HE3 . . 4.050 3.937 3.699 4.101 0.051 3 0 "[ . 1 . 2]" 1
923 1 62 TRP HA 1 64 ARG H . . 5.500 3.953 3.382 4.573 . 0 0 "[ . 1 . 2]" 1
924 1 62 TRP HA 1 65 ILE H . . 3.990 3.466 3.003 3.884 . 0 0 "[ . 1 . 2]" 1
925 1 62 TRP HA 1 65 ILE HB . . 3.660 3.398 2.402 3.734 0.074 18 0 "[ . 1 . 2]" 1
926 1 62 TRP HA 1 65 ILE MD . . 3.960 2.274 2.038 3.439 . 0 0 "[ . 1 . 2]" 1
927 1 62 TRP HA 1 65 ILE HG12 . . 4.930 3.995 2.102 4.705 . 0 0 "[ . 1 . 2]" 1
928 1 62 TRP HA 1 65 ILE HG13 . . 4.440 2.623 2.181 3.301 . 0 0 "[ . 1 . 2]" 1
929 1 62 TRP HA 1 65 ILE MG . . 5.060 4.455 3.850 4.818 . 0 0 "[ . 1 . 2]" 1
930 1 62 TRP HB2 1 62 TRP HD1 . . 3.650 2.548 2.462 2.651 . 0 0 "[ . 1 . 2]" 1
931 1 62 TRP HB2 1 62 TRP HE3 . . 4.170 4.231 4.213 4.241 0.071 10 0 "[ . 1 . 2]" 1
932 1 62 TRP HB2 1 63 LYS H . . 4.360 3.811 3.424 4.036 . 0 0 "[ . 1 . 2]" 1
933 1 62 TRP HB2 1 65 ILE MD . . 5.240 4.002 3.484 5.335 0.095 14 0 "[ . 1 . 2]" 1
934 1 62 TRP HB3 1 62 TRP HE3 . . 3.740 2.828 2.771 2.915 . 0 0 "[ . 1 . 2]" 1
935 1 62 TRP HB3 1 63 LYS H . . 3.970 2.834 2.385 3.198 . 0 0 "[ . 1 . 2]" 1
936 1 62 TRP HD1 1 65 ILE MD . . 5.030 3.384 2.759 4.739 . 0 0 "[ . 1 . 2]" 1
937 1 62 TRP HE3 1 63 LYS H . . 4.320 3.936 3.501 4.257 . 0 0 "[ . 1 . 2]" 1
938 1 62 TRP HE3 1 63 LYS HA . . 5.000 3.008 2.447 3.461 . 0 0 "[ . 1 . 2]" 1
939 1 62 TRP HE3 1 63 LYS HG2 . . 4.250 3.818 3.233 5.114 0.864 18 1 "[ . 1 . + 2]" 1
940 1 62 TRP HE3 1 63 LYS HG3 . . 5.040 4.815 3.982 5.115 0.075 11 0 "[ . 1 . 2]" 1
941 1 62 TRP HE3 1 65 ILE HB . . 4.350 3.990 3.362 4.262 . 0 0 "[ . 1 . 2]" 1
942 1 62 TRP HE3 1 65 ILE MD . . 5.500 4.578 4.016 5.595 0.095 14 0 "[ . 1 . 2]" 1
943 1 62 TRP HE3 1 65 ILE MG . . 5.500 5.138 4.560 5.397 . 0 0 "[ . 1 . 2]" 1
944 1 62 TRP HZ3 1 63 LYS QE . . 5.500 5.270 2.759 5.580 0.080 1 0 "[ . 1 . 2]" 1
945 1 62 TRP HZ3 1 63 LYS HG2 . . 5.500 5.203 4.605 6.377 0.877 18 1 "[ . 1 . + 2]" 1
946 1 62 TRP HZ3 1 65 ILE HB . . 5.500 4.404 3.541 5.319 . 0 0 "[ . 1 . 2]" 1
947 1 62 TRP HZ3 1 65 ILE MG . . 4.850 4.854 3.966 4.953 0.103 12 0 "[ . 1 . 2]" 1
948 1 63 LYS H 1 63 LYS QB . . 2.950 2.287 2.116 2.413 . 0 0 "[ . 1 . 2]" 1
949 1 63 LYS H 1 63 LYS QD . . 4.870 4.428 2.436 4.750 . 0 0 "[ . 1 . 2]" 1
950 1 63 LYS H 1 63 LYS HG2 . . 4.180 3.428 2.991 4.022 . 0 0 "[ . 1 . 2]" 1
951 1 63 LYS H 1 63 LYS HG3 . . 3.950 3.126 2.663 4.172 0.222 18 0 "[ . 1 . 2]" 1
952 1 63 LYS H 1 64 ARG H . . 3.520 2.904 2.719 3.004 . 0 0 "[ . 1 . 2]" 1
953 1 63 LYS HA 1 63 LYS HG2 . . 3.780 2.239 2.056 3.586 . 0 0 "[ . 1 . 2]" 1
954 1 63 LYS HA 1 63 LYS HG3 . . 3.980 3.279 2.500 3.475 . 0 0 "[ . 1 . 2]" 1
955 1 63 LYS HA 1 66 LYS QB . . 3.640 3.373 2.636 3.641 0.001 18 0 "[ . 1 . 2]" 1
956 1 63 LYS QB 1 64 ARG H . . 3.610 3.169 2.773 3.566 . 0 0 "[ . 1 . 2]" 1
957 1 64 ARG H 1 64 ARG QB . . 2.980 2.357 2.005 2.745 . 0 0 "[ . 1 . 2]" 1
958 1 64 ARG H 1 64 ARG QG . . 3.910 2.681 2.379 3.640 . 0 0 "[ . 1 . 2]" 1
959 1 64 ARG H 1 65 ILE H . . 3.220 2.533 1.964 2.814 . 0 0 "[ . 1 . 2]" 1
960 1 64 ARG HA 1 64 ARG QB . . 2.770 2.281 2.071 2.490 . 0 0 "[ . 1 . 2]" 1
961 1 64 ARG HA 1 64 ARG QD . . 4.210 4.032 3.526 4.284 0.074 15 0 "[ . 1 . 2]" 1
962 1 64 ARG HA 1 64 ARG QG . . 3.430 2.617 2.106 3.187 . 0 0 "[ . 1 . 2]" 1
963 1 64 ARG HA 1 65 ILE H . . 3.310 3.374 3.245 3.399 0.089 9 0 "[ . 1 . 2]" 1
964 1 64 ARG QB 1 64 ARG QD . . 3.340 2.172 2.041 2.348 . 0 0 "[ . 1 . 2]" 1
965 1 64 ARG QB 1 65 ILE H . . 3.560 3.366 2.855 3.660 0.100 1 0 "[ . 1 . 2]" 1
966 1 64 ARG QG 1 65 ILE H . . 4.960 3.692 2.539 4.464 . 0 0 "[ . 1 . 2]" 1
967 1 65 ILE H 1 65 ILE HB . . 2.780 2.620 2.407 2.781 0.001 19 0 "[ . 1 . 2]" 1
968 1 65 ILE H 1 65 ILE MD . . 4.290 3.605 3.141 3.923 . 0 0 "[ . 1 . 2]" 1
969 1 65 ILE H 1 65 ILE HG12 . . 3.650 3.331 2.135 3.703 0.053 20 0 "[ . 1 . 2]" 1
970 1 65 ILE H 1 65 ILE HG13 . . 3.300 2.234 1.875 3.614 0.314 14 0 "[ . 1 . 2]" 1
971 1 65 ILE H 1 65 ILE MG . . 3.900 3.828 3.762 3.863 . 0 0 "[ . 1 . 2]" 1
972 1 65 ILE H 1 66 LYS H . . 3.140 2.544 1.989 2.882 . 0 0 "[ . 1 . 2]" 1
973 1 65 ILE HA 1 65 ILE MD . . 3.880 3.835 2.131 3.974 0.094 11 0 "[ . 1 . 2]" 1
974 1 65 ILE HA 1 65 ILE HG12 . . 3.410 2.674 2.525 3.044 . 0 0 "[ . 1 . 2]" 1
975 1 65 ILE HA 1 65 ILE HG13 . . 3.630 3.161 2.970 3.513 . 0 0 "[ . 1 . 2]" 1
976 1 65 ILE HA 1 65 ILE MG . . 3.080 2.333 2.175 2.473 . 0 0 "[ . 1 . 2]" 1
977 1 65 ILE HA 1 67 ALA H . . 5.350 3.871 3.091 4.511 . 0 0 "[ . 1 . 2]" 1
978 1 65 ILE HA 1 67 ALA MB . . 5.040 4.391 3.609 5.152 0.112 13 0 "[ . 1 . 2]" 1
979 1 65 ILE HB 1 65 ILE MD . . 3.270 2.437 2.306 3.312 0.042 14 0 "[ . 1 . 2]" 1
980 1 65 ILE HB 1 66 LYS H . . 3.450 3.041 1.882 3.527 0.077 11 0 "[ . 1 . 2]" 1
981 1 65 ILE HB 1 67 ALA H . . 5.320 4.863 3.264 5.334 0.014 3 0 "[ . 1 . 2]" 1
982 1 65 ILE MD 1 65 ILE MG . . 2.970 2.095 2.034 2.160 . 0 0 "[ . 1 . 2]" 1
983 1 65 ILE MD 1 66 LYS H . . 5.500 4.841 3.992 5.228 . 0 0 "[ . 1 . 2]" 1
984 1 65 ILE HG12 1 65 ILE MG . . 3.270 2.499 2.333 3.227 . 0 0 "[ . 1 . 2]" 1
985 1 65 ILE HG12 1 66 LYS H . . 5.400 5.028 4.310 5.229 . 0 0 "[ . 1 . 2]" 1
986 1 65 ILE HG13 1 65 ILE MG . . 3.660 3.194 2.239 3.267 . 0 0 "[ . 1 . 2]" 1
987 1 65 ILE HG13 1 66 LYS H . . 4.250 4.317 3.660 5.107 0.857 14 1 "[ . 1 +. 2]" 1
988 1 65 ILE MG 1 66 LYS H . . 4.280 3.804 2.754 4.245 . 0 0 "[ . 1 . 2]" 1
989 1 65 ILE MG 1 66 LYS HA . . 4.320 3.946 3.436 4.405 0.085 19 0 "[ . 1 . 2]" 1
990 1 65 ILE MG 1 67 ALA H . . 5.500 3.695 1.956 4.571 . 0 0 "[ . 1 . 2]" 1
991 1 65 ILE MG 1 67 ALA HA . . 5.500 5.333 3.566 5.616 0.116 14 0 "[ . 1 . 2]" 1
992 1 65 ILE MG 1 67 ALA MB . . 4.680 3.995 2.123 4.798 0.118 9 0 "[ . 1 . 2]" 1
993 1 66 LYS H 1 66 LYS QB . . 3.130 2.428 2.061 2.855 . 0 0 "[ . 1 . 2]" 1
994 1 66 LYS H 1 66 LYS QD . . 5.010 4.364 3.492 5.100 0.090 2 0 "[ . 1 . 2]" 1
995 1 66 LYS H 1 66 LYS QG . . 3.790 3.007 1.903 3.893 0.103 5 0 "[ . 1 . 2]" 1
996 1 66 LYS H 1 67 ALA H . . 3.790 3.461 2.649 3.880 0.090 17 0 "[ . 1 . 2]" 1
997 1 66 LYS HA 1 66 LYS QD . . 3.970 3.547 2.123 4.072 0.102 11 0 "[ . 1 . 2]" 1
998 1 66 LYS HA 1 66 LYS QG . . 3.460 2.655 2.076 3.456 . 0 0 "[ . 1 . 2]" 1
999 1 66 LYS HA 1 67 ALA H . . 3.360 2.708 2.063 3.425 0.065 5 0 "[ . 1 . 2]" 1
1000 1 66 LYS QB 1 66 LYS HE2 . . 3.570 2.853 2.001 4.008 0.438 18 0 "[ . 1 . 2]" 1
1001 1 66 LYS QB 1 67 ALA H . . 4.550 3.749 3.146 4.025 . 0 0 "[ . 1 . 2]" 1
1002 1 66 LYS QG 1 67 ALA H . . 4.990 4.386 3.007 4.859 . 0 0 "[ . 1 . 2]" 1
1003 1 67 ALA H 1 67 ALA MB . . 3.080 2.385 2.123 3.032 . 0 0 "[ . 1 . 2]" 1
1004 1 67 ALA H 1 68 GLY H . . 3.420 2.935 2.259 3.498 0.078 9 0 "[ . 1 . 2]" 1
1005 1 67 ALA HA 1 68 GLY H . . 3.450 3.326 2.285 3.527 0.077 3 0 "[ . 1 . 2]" 1
1006 1 67 ALA MB 1 68 GLY H . . 3.950 2.752 2.034 3.712 . 0 0 "[ . 1 . 2]" 1
1007 1 67 ALA MB 1 68 GLY QA . . 5.160 3.814 3.395 4.218 . 0 0 "[ . 1 . 2]" 1
1008 1 67 ALA MB 1 69 ASN H . . 5.500 3.717 2.524 5.447 . 0 0 "[ . 1 . 2]" 1
1009 1 67 ALA MB 1 69 ASN HB2 . . 5.500 5.055 3.382 5.613 0.113 7 0 "[ . 1 . 2]" 1
1010 1 67 ALA MB 1 70 VAL H . . 5.500 5.040 3.397 5.601 0.101 8 0 "[ . 1 . 2]" 1
1011 1 69 ASN H 1 69 ASN HA . . 2.890 2.800 2.150 2.957 0.067 10 0 "[ . 1 . 2]" 1
1012 1 69 ASN H 1 69 ASN HB2 . . 3.680 3.058 2.076 3.556 . 0 0 "[ . 1 . 2]" 1
1013 1 69 ASN H 1 70 VAL H . . 3.950 2.489 1.856 4.036 0.086 20 0 "[ . 1 . 2]" 1
1014 1 69 ASN H 1 71 SER H . . 4.140 3.836 2.577 4.233 0.093 3 0 "[ . 1 . 2]" 1
1015 1 69 ASN HA 1 69 ASN HB2 . . 2.860 2.672 2.460 2.951 0.091 20 0 "[ . 1 . 2]" 1
1016 1 69 ASN HA 1 69 ASN HD21 . . 3.700 2.751 1.931 3.779 0.079 9 0 "[ . 1 . 2]" 1
1017 1 69 ASN HA 1 69 ASN HD22 . . 4.040 3.692 3.111 4.104 0.064 3 0 "[ . 1 . 2]" 1
1018 1 69 ASN HA 1 70 VAL H . . 2.950 2.770 2.150 3.027 0.077 4 0 "[ . 1 . 2]" 1
1019 1 69 ASN HB2 1 70 VAL H . . 4.790 4.440 3.941 4.646 . 0 0 "[ . 1 . 2]" 1
1020 1 69 ASN HB2 1 71 SER H . . 5.300 4.971 4.050 5.354 0.054 18 0 "[ . 1 . 2]" 1
1021 1 69 ASN HB3 1 70 VAL H . . 4.210 4.090 2.870 4.290 0.080 9 0 "[ . 1 . 2]" 1
1022 1 69 ASN HB3 1 71 SER H . . 4.740 4.314 2.994 4.824 0.084 1 0 "[ . 1 . 2]" 1
1023 1 70 VAL H 1 70 VAL HB . . 3.880 2.868 2.268 3.962 0.082 8 0 "[ . 1 . 2]" 1
1024 1 70 VAL H 1 70 VAL MG1 . . 4.780 2.807 1.945 3.955 . 0 0 "[ . 1 . 2]" 1
1025 1 70 VAL H 1 70 VAL MG2 . . 4.140 3.268 1.968 3.860 . 0 0 "[ . 1 . 2]" 1
1026 1 70 VAL H 1 71 SER H . . 3.780 2.779 2.215 3.830 0.050 20 0 "[ . 1 . 2]" 1
1027 1 70 VAL HA 1 71 SER H . . 3.260 3.054 2.275 3.327 0.067 7 0 "[ . 1 . 2]" 1
1028 1 70 VAL HB 1 71 SER H . . 4.800 4.269 3.263 4.592 . 0 0 "[ . 1 . 2]" 1
1029 1 70 VAL MG2 1 71 SER H . . 5.120 4.248 3.933 4.443 . 0 0 "[ . 1 . 2]" 1
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