NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
419553 |
2ecz   |
11154 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ecz
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 1070
_Distance_constraint_stats_list.Viol_count 157
_Distance_constraint_stats_list.Viol_total 13.754
_Distance_constraint_stats_list.Viol_max 0.046
_Distance_constraint_stats_list.Viol_rms 0.0008
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0044
_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 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLY 0.000 0.000 16 0 "[ . 1 . 2]"
1 9 GLU 0.001 0.001 14 0 "[ . 1 . 2]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ILE 0.001 0.001 15 0 "[ . 1 . 2]"
1 12 ALA 0.002 0.001 20 0 "[ . 1 . 2]"
1 13 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 PHE 0.000 0.000 16 0 "[ . 1 . 2]"
1 15 ASN 0.000 0.000 16 0 "[ . 1 . 2]"
1 16 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 THR 0.018 0.011 9 0 "[ . 1 . 2]"
1 21 GLN 0.014 0.011 9 0 "[ . 1 . 2]"
1 22 VAL 0.032 0.020 3 0 "[ . 1 . 2]"
1 23 GLU 0.023 0.020 3 0 "[ . 1 . 2]"
1 24 MET 0.002 0.001 15 0 "[ . 1 . 2]"
1 25 SER 0.001 0.001 15 0 "[ . 1 . 2]"
1 26 PHE 0.001 0.001 15 0 "[ . 1 . 2]"
1 27 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLU 0.002 0.001 20 0 "[ . 1 . 2]"
1 31 ARG 0.189 0.046 19 0 "[ . 1 . 2]"
1 32 ILE 0.096 0.046 19 0 "[ . 1 . 2]"
1 33 THR 0.001 0.000 16 0 "[ . 1 . 2]"
1 34 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LEU 0.003 0.002 14 0 "[ . 1 . 2]"
1 36 ARG 0.002 0.002 14 0 "[ . 1 . 2]"
1 37 GLN 0.002 0.002 15 0 "[ . 1 . 2]"
1 38 VAL 0.001 0.001 9 0 "[ . 1 . 2]"
1 39 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLU 0.011 0.003 16 0 "[ . 1 . 2]"
1 41 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 TRP 0.053 0.020 20 0 "[ . 1 . 2]"
1 43 TYR 0.085 0.020 20 0 "[ . 1 . 2]"
1 44 GLU 0.012 0.003 9 0 "[ . 1 . 2]"
1 45 GLY 0.004 0.003 13 0 "[ . 1 . 2]"
1 46 ARG 0.020 0.005 13 0 "[ . 1 . 2]"
1 47 ILE 0.035 0.011 17 0 "[ . 1 . 2]"
1 48 PRO 0.051 0.026 8 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 THR 0.055 0.026 8 0 "[ . 1 . 2]"
1 51 SER 0.007 0.003 16 0 "[ . 1 . 2]"
1 52 ARG 0.114 0.029 18 0 "[ . 1 . 2]"
1 53 GLN 0.015 0.005 8 0 "[ . 1 . 2]"
1 54 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ILE 0.018 0.003 9 0 "[ . 1 . 2]"
1 56 PHE 0.001 0.001 7 0 "[ . 1 . 2]"
1 57 PRO 0.001 0.001 4 0 "[ . 1 . 2]"
1 58 ILE 0.056 0.006 20 0 "[ . 1 . 2]"
1 59 THR 0.002 0.001 4 0 "[ . 1 . 2]"
1 60 TYR 0.001 0.001 15 0 "[ . 1 . 2]"
1 61 VAL 0.006 0.002 18 0 "[ . 1 . 2]"
1 62 ASP 0.020 0.007 9 0 "[ . 1 . 2]"
1 63 VAL 0.019 0.007 9 0 "[ . 1 . 2]"
1 64 ILE 0.003 0.001 18 0 "[ . 1 . 2]"
1 65 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLY 0.097 0.022 6 0 "[ . 1 . 2]"
1 67 PRO 0.097 0.022 6 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 6 SER HA 1 8 GLY H . . 5.500 4.771 3.864 5.444 . 0 0 "[ . 1 . 2]" 1
2 1 6 SER QB 1 7 GLY H . . 4.480 3.265 2.154 3.882 . 0 0 "[ . 1 . 2]" 1
3 1 8 GLY H 1 33 THR HA . . 5.500 5.157 4.365 5.500 0.000 16 0 "[ . 1 . 2]" 1
4 1 8 GLY H 1 34 LEU H . . 4.640 4.219 3.683 4.616 . 0 0 "[ . 1 . 2]" 1
5 1 8 GLY H 1 34 LEU HB2 . . 4.190 2.947 2.350 3.791 . 0 0 "[ . 1 . 2]" 1
6 1 8 GLY QA 1 34 LEU HB2 . . 4.040 2.907 1.991 3.402 . 0 0 "[ . 1 . 2]" 1
7 1 8 GLY QA 1 34 LEU HB3 . . 4.970 3.819 3.190 4.711 . 0 0 "[ . 1 . 2]" 1
8 1 8 GLY QA 1 34 LEU MD1 . . 3.970 2.539 2.136 3.299 . 0 0 "[ . 1 . 2]" 1
9 1 8 GLY QA 1 63 VAL QG . . 4.360 3.978 3.360 4.360 . 0 0 "[ . 1 . 2]" 1
10 1 8 GLY HA2 1 9 GLU H . . 3.360 2.562 2.147 3.138 . 0 0 "[ . 1 . 2]" 1
11 1 8 GLY HA2 1 34 LEU HB2 . . 4.780 4.164 3.629 4.667 . 0 0 "[ . 1 . 2]" 1
12 1 8 GLY HA2 1 34 LEU MD1 . . 4.710 3.871 3.376 4.637 . 0 0 "[ . 1 . 2]" 1
13 1 8 GLY HA3 1 9 GLU H . . 3.360 2.615 2.157 3.178 . 0 0 "[ . 1 . 2]" 1
14 1 8 GLY HA3 1 34 LEU HB2 . . 4.780 2.980 2.000 3.501 . 0 0 "[ . 1 . 2]" 1
15 1 8 GLY HA3 1 34 LEU MD1 . . 4.710 2.578 2.157 3.377 . 0 0 "[ . 1 . 2]" 1
16 1 9 GLU H 1 9 GLU QB . . 3.490 2.620 2.360 3.070 . 0 0 "[ . 1 . 2]" 1
17 1 9 GLU H 1 9 GLU QG . . 4.410 3.695 2.399 4.300 . 0 0 "[ . 1 . 2]" 1
18 1 9 GLU H 1 10 ALA H . . 4.980 4.383 4.224 4.613 . 0 0 "[ . 1 . 2]" 1
19 1 9 GLU H 1 34 LEU MD1 . . 4.480 2.959 2.193 4.434 . 0 0 "[ . 1 . 2]" 1
20 1 9 GLU H 1 63 VAL QG . . 4.420 3.682 3.038 4.358 . 0 0 "[ . 1 . 2]" 1
21 1 9 GLU H 1 65 SER H . . 3.900 3.725 3.159 3.899 . 0 0 "[ . 1 . 2]" 1
22 1 9 GLU H 1 65 SER QB . . 4.350 3.296 2.603 4.290 . 0 0 "[ . 1 . 2]" 1
23 1 9 GLU HA 1 9 GLU HG2 . . 4.250 3.018 2.465 3.840 . 0 0 "[ . 1 . 2]" 1
24 1 9 GLU HA 1 9 GLU QG . . 3.720 2.436 2.154 3.339 . 0 0 "[ . 1 . 2]" 1
25 1 9 GLU HA 1 9 GLU HG3 . . 4.250 2.806 2.175 3.723 . 0 0 "[ . 1 . 2]" 1
26 1 9 GLU HA 1 10 ALA H . . 3.000 2.279 2.155 2.651 . 0 0 "[ . 1 . 2]" 1
27 1 9 GLU HA 1 10 ALA MB . . 4.860 3.845 3.730 3.959 . 0 0 "[ . 1 . 2]" 1
28 1 9 GLU HA 1 33 THR HA . . 3.810 3.499 2.400 3.804 . 0 0 "[ . 1 . 2]" 1
29 1 9 GLU HA 1 33 THR MG . . 4.880 4.725 3.765 4.879 . 0 0 "[ . 1 . 2]" 1
30 1 9 GLU HA 1 34 LEU H . . 3.900 3.002 1.924 3.517 . 0 0 "[ . 1 . 2]" 1
31 1 9 GLU HA 1 34 LEU MD1 . . 4.880 3.576 3.076 4.230 . 0 0 "[ . 1 . 2]" 1
32 1 9 GLU HA 1 34 LEU HG . . 4.190 3.651 3.040 4.190 . 0 0 "[ . 1 . 2]" 1
33 1 9 GLU QB 1 10 ALA H . . 3.770 2.991 1.937 3.696 . 0 0 "[ . 1 . 2]" 1
34 1 9 GLU HB2 1 10 ALA H . . 4.590 3.997 2.362 4.297 . 0 0 "[ . 1 . 2]" 1
35 1 9 GLU HB2 1 64 ILE MD . . 4.610 3.673 2.496 4.611 0.001 14 0 "[ . 1 . 2]" 1
36 1 9 GLU HB3 1 10 ALA H . . 4.590 3.182 1.947 4.057 . 0 0 "[ . 1 . 2]" 1
37 1 9 GLU HB3 1 64 ILE MD . . 4.610 3.040 2.265 4.610 0.000 8 0 "[ . 1 . 2]" 1
38 1 9 GLU QG 1 10 ALA H . . 4.230 3.292 2.050 4.217 . 0 0 "[ . 1 . 2]" 1
39 1 9 GLU QG 1 33 THR HA . . 4.700 4.064 2.930 4.687 . 0 0 "[ . 1 . 2]" 1
40 1 9 GLU QG 1 64 ILE MD . . 4.710 3.824 1.982 4.706 . 0 0 "[ . 1 . 2]" 1
41 1 9 GLU HG2 1 10 ALA H . . 5.060 3.830 2.116 4.726 . 0 0 "[ . 1 . 2]" 1
42 1 9 GLU HG3 1 10 ALA H . . 5.060 3.882 2.066 4.984 . 0 0 "[ . 1 . 2]" 1
43 1 10 ALA H 1 10 ALA MB . . 3.500 2.658 2.454 2.843 . 0 0 "[ . 1 . 2]" 1
44 1 10 ALA H 1 32 ILE H . . 3.840 3.178 2.470 3.813 . 0 0 "[ . 1 . 2]" 1
45 1 10 ALA H 1 32 ILE HB . . 4.280 3.873 3.319 4.276 . 0 0 "[ . 1 . 2]" 1
46 1 10 ALA H 1 34 LEU MD1 . . 4.580 4.021 3.321 4.499 . 0 0 "[ . 1 . 2]" 1
47 1 10 ALA H 1 34 LEU HG . . 4.670 3.805 2.935 4.448 . 0 0 "[ . 1 . 2]" 1
48 1 10 ALA HA 1 11 ILE H . . 3.040 2.345 2.187 2.523 . 0 0 "[ . 1 . 2]" 1
49 1 10 ALA HA 1 11 ILE HG12 . . 4.280 3.598 3.288 4.186 . 0 0 "[ . 1 . 2]" 1
50 1 10 ALA HA 1 34 LEU MD1 . . 5.500 4.017 3.368 4.522 . 0 0 "[ . 1 . 2]" 1
51 1 10 ALA HA 1 63 VAL HA . . 3.360 2.521 2.016 2.989 . 0 0 "[ . 1 . 2]" 1
52 1 10 ALA HA 1 63 VAL QG . . 4.680 3.672 3.329 3.988 . 0 0 "[ . 1 . 2]" 1
53 1 10 ALA HA 1 64 ILE H . . 3.430 2.953 2.493 3.411 . 0 0 "[ . 1 . 2]" 1
54 1 10 ALA HA 1 64 ILE HB . . 5.020 4.569 4.097 4.944 . 0 0 "[ . 1 . 2]" 1
55 1 10 ALA HA 1 64 ILE MD . . 4.560 2.651 1.960 3.491 . 0 0 "[ . 1 . 2]" 1
56 1 10 ALA HA 1 64 ILE QG . . 4.430 3.673 2.318 4.419 . 0 0 "[ . 1 . 2]" 1
57 1 10 ALA MB 1 11 ILE H . . 3.310 2.577 2.245 2.980 . 0 0 "[ . 1 . 2]" 1
58 1 10 ALA MB 1 12 ALA HA . . 5.480 4.974 4.741 5.169 . 0 0 "[ . 1 . 2]" 1
59 1 10 ALA MB 1 32 ILE H . . 4.070 3.744 3.346 4.067 . 0 0 "[ . 1 . 2]" 1
60 1 10 ALA MB 1 32 ILE HA . . 5.500 5.116 4.808 5.486 . 0 0 "[ . 1 . 2]" 1
61 1 10 ALA MB 1 32 ILE MD . . 4.210 3.164 2.563 3.626 . 0 0 "[ . 1 . 2]" 1
62 1 10 ALA MB 1 34 LEU MD1 . . 3.780 2.439 1.955 2.909 . 0 0 "[ . 1 . 2]" 1
63 1 10 ALA MB 1 56 PHE HZ . . 4.770 4.398 3.990 4.757 . 0 0 "[ . 1 . 2]" 1
64 1 10 ALA MB 1 61 VAL HA . . 4.530 4.130 3.789 4.476 . 0 0 "[ . 1 . 2]" 1
65 1 10 ALA MB 1 61 VAL HB . . 3.050 2.306 2.037 2.580 . 0 0 "[ . 1 . 2]" 1
66 1 10 ALA MB 1 61 VAL MG1 . . 3.600 3.368 3.107 3.547 . 0 0 "[ . 1 . 2]" 1
67 1 10 ALA MB 1 62 ASP H . . 4.320 3.693 2.848 4.122 . 0 0 "[ . 1 . 2]" 1
68 1 10 ALA MB 1 62 ASP HA . . 5.080 4.563 4.062 4.890 . 0 0 "[ . 1 . 2]" 1
69 1 10 ALA MB 1 63 VAL HA . . 3.420 2.528 2.084 2.900 . 0 0 "[ . 1 . 2]" 1
70 1 10 ALA MB 1 64 ILE H . . 4.510 3.865 3.385 4.156 . 0 0 "[ . 1 . 2]" 1
71 1 11 ILE H 1 11 ILE HB . . 3.490 2.691 2.558 2.960 . 0 0 "[ . 1 . 2]" 1
72 1 11 ILE H 1 11 ILE MD . . 4.540 3.741 3.192 4.286 . 0 0 "[ . 1 . 2]" 1
73 1 11 ILE H 1 11 ILE HG12 . . 4.160 2.960 2.648 3.634 . 0 0 "[ . 1 . 2]" 1
74 1 11 ILE H 1 11 ILE HG13 . . 4.630 4.057 2.635 4.341 . 0 0 "[ . 1 . 2]" 1
75 1 11 ILE H 1 11 ILE MG . . 4.250 3.866 3.806 3.974 . 0 0 "[ . 1 . 2]" 1
76 1 11 ILE H 1 61 VAL HA . . 4.930 4.277 3.898 4.504 . 0 0 "[ . 1 . 2]" 1
77 1 11 ILE H 1 61 VAL HB . . 4.050 3.632 3.275 3.917 . 0 0 "[ . 1 . 2]" 1
78 1 11 ILE H 1 61 VAL MG1 . . 4.830 4.676 4.241 4.831 0.001 15 0 "[ . 1 . 2]" 1
79 1 11 ILE H 1 62 ASP HA . . 5.500 4.756 4.270 5.261 . 0 0 "[ . 1 . 2]" 1
80 1 11 ILE H 1 62 ASP QB . . 4.490 3.667 3.046 4.053 . 0 0 "[ . 1 . 2]" 1
81 1 11 ILE H 1 63 VAL H . . 5.500 4.902 4.494 5.421 . 0 0 "[ . 1 . 2]" 1
82 1 11 ILE H 1 63 VAL HA . . 4.430 3.853 3.358 4.300 . 0 0 "[ . 1 . 2]" 1
83 1 11 ILE H 1 64 ILE MD . . 4.600 3.330 2.440 4.266 . 0 0 "[ . 1 . 2]" 1
84 1 11 ILE HB 1 11 ILE MD . . 3.690 3.147 2.413 3.230 . 0 0 "[ . 1 . 2]" 1
85 1 11 ILE HB 1 12 ALA H . . 4.860 4.135 3.835 4.286 . 0 0 "[ . 1 . 2]" 1
86 1 11 ILE HB 1 62 ASP QB . . 3.990 3.369 2.884 3.907 . 0 0 "[ . 1 . 2]" 1
87 1 11 ILE HB 1 64 ILE MD . . 4.220 3.674 3.035 4.099 . 0 0 "[ . 1 . 2]" 1
88 1 11 ILE MD 1 12 ALA H . . 5.050 3.690 3.374 5.005 . 0 0 "[ . 1 . 2]" 1
89 1 11 ILE MD 1 29 GLY QA . . 4.540 4.088 3.728 4.531 . 0 0 "[ . 1 . 2]" 1
90 1 11 ILE MD 1 31 ARG QB . . 4.800 3.268 1.923 4.630 . 0 0 "[ . 1 . 2]" 1
91 1 11 ILE MD 1 31 ARG QD . . 4.430 3.826 1.888 4.428 . 0 0 "[ . 1 . 2]" 1
92 1 11 ILE MD 1 31 ARG HG2 . . 4.650 4.184 3.314 4.573 . 0 0 "[ . 1 . 2]" 1
93 1 11 ILE MD 1 31 ARG QG . . 3.830 3.095 2.483 3.826 . 0 0 "[ . 1 . 2]" 1
94 1 11 ILE MD 1 31 ARG HG3 . . 4.650 3.269 2.515 4.427 . 0 0 "[ . 1 . 2]" 1
95 1 11 ILE HG12 1 11 ILE MG . . 3.630 3.111 2.391 3.201 . 0 0 "[ . 1 . 2]" 1
96 1 11 ILE HG12 1 64 ILE MD . . 3.470 2.141 1.954 2.752 . 0 0 "[ . 1 . 2]" 1
97 1 11 ILE HG13 1 11 ILE MG . . 3.390 2.403 2.158 3.201 . 0 0 "[ . 1 . 2]" 1
98 1 11 ILE HG13 1 12 ALA H . . 5.500 5.327 5.042 5.494 . 0 0 "[ . 1 . 2]" 1
99 1 11 ILE MG 1 12 ALA H . . 3.460 2.407 2.159 2.731 . 0 0 "[ . 1 . 2]" 1
100 1 11 ILE MG 1 12 ALA HA . . 4.820 4.083 3.870 4.232 . 0 0 "[ . 1 . 2]" 1
101 1 11 ILE MG 1 12 ALA MB . . 4.100 3.532 3.335 3.742 . 0 0 "[ . 1 . 2]" 1
102 1 11 ILE MG 1 13 LYS HA . . 4.210 3.682 3.275 4.182 . 0 0 "[ . 1 . 2]" 1
103 1 11 ILE MG 1 29 GLY H . . 4.090 3.177 2.844 3.519 . 0 0 "[ . 1 . 2]" 1
104 1 11 ILE MG 1 29 GLY QA . . 3.420 2.660 2.080 3.038 . 0 0 "[ . 1 . 2]" 1
105 1 11 ILE MG 1 30 GLU H . . 5.320 4.267 2.894 5.059 . 0 0 "[ . 1 . 2]" 1
106 1 11 ILE MG 1 62 ASP QB . . 4.650 4.256 3.714 4.643 . 0 0 "[ . 1 . 2]" 1
107 1 12 ALA H 1 12 ALA MB . . 3.070 2.174 2.042 2.250 . 0 0 "[ . 1 . 2]" 1
108 1 12 ALA H 1 30 GLU H . . 4.670 4.154 2.577 4.616 . 0 0 "[ . 1 . 2]" 1
109 1 12 ALA H 1 32 ILE HB . . 5.500 5.362 5.083 5.501 0.001 15 0 "[ . 1 . 2]" 1
110 1 12 ALA H 1 32 ILE MD . . 4.160 3.423 2.787 4.038 . 0 0 "[ . 1 . 2]" 1
111 1 12 ALA H 1 61 VAL MG1 . . 4.850 3.936 3.299 4.313 . 0 0 "[ . 1 . 2]" 1
112 1 12 ALA HA 1 13 LYS H . . 3.020 2.197 2.140 2.270 . 0 0 "[ . 1 . 2]" 1
113 1 12 ALA HA 1 14 PHE H . . 4.240 3.444 3.250 3.768 . 0 0 "[ . 1 . 2]" 1
114 1 12 ALA HA 1 26 PHE QE . . 4.750 3.652 3.102 4.232 . 0 0 "[ . 1 . 2]" 1
115 1 12 ALA HA 1 32 ILE MD . . 4.230 3.332 2.744 3.876 . 0 0 "[ . 1 . 2]" 1
116 1 12 ALA HA 1 61 VAL HA . . 3.390 2.374 2.012 2.596 . 0 0 "[ . 1 . 2]" 1
117 1 12 ALA HA 1 61 VAL HB . . 4.410 3.737 3.356 3.875 . 0 0 "[ . 1 . 2]" 1
118 1 12 ALA HA 1 61 VAL MG1 . . 3.200 2.414 1.939 2.690 . 0 0 "[ . 1 . 2]" 1
119 1 12 ALA MB 1 13 LYS H . . 3.980 3.444 2.835 3.597 . 0 0 "[ . 1 . 2]" 1
120 1 12 ALA MB 1 14 PHE H . . 3.930 3.141 2.811 3.582 . 0 0 "[ . 1 . 2]" 1
121 1 12 ALA MB 1 26 PHE QB . . 4.850 2.879 2.541 3.215 . 0 0 "[ . 1 . 2]" 1
122 1 12 ALA MB 1 26 PHE QD . . 3.300 2.083 1.819 2.375 . 0 0 "[ . 1 . 2]" 1
123 1 12 ALA MB 1 26 PHE QE . . 3.480 2.658 2.010 3.148 . 0 0 "[ . 1 . 2]" 1
124 1 12 ALA MB 1 27 ARG HA . . 5.000 4.375 4.085 4.548 . 0 0 "[ . 1 . 2]" 1
125 1 12 ALA MB 1 28 LYS HA . . 3.330 2.382 2.057 2.785 . 0 0 "[ . 1 . 2]" 1
126 1 12 ALA MB 1 29 GLY H . . 3.380 2.492 2.200 3.034 . 0 0 "[ . 1 . 2]" 1
127 1 12 ALA MB 1 30 GLU H . . 3.290 3.071 2.077 3.291 0.001 20 0 "[ . 1 . 2]" 1
128 1 12 ALA MB 1 30 GLU QB . . 4.050 3.105 2.592 3.634 . 0 0 "[ . 1 . 2]" 1
129 1 12 ALA MB 1 32 ILE MD . . 3.520 2.449 2.216 2.696 . 0 0 "[ . 1 . 2]" 1
130 1 12 ALA MB 1 61 VAL HA . . 4.730 3.990 3.700 4.171 . 0 0 "[ . 1 . 2]" 1
131 1 12 ALA MB 1 61 VAL MG1 . . 3.870 2.829 2.392 3.066 . 0 0 "[ . 1 . 2]" 1
132 1 12 ALA MB 1 62 ASP H . . 5.500 5.166 4.844 5.338 . 0 0 "[ . 1 . 2]" 1
133 1 13 LYS H 1 13 LYS QB . . 3.500 2.300 2.153 2.486 . 0 0 "[ . 1 . 2]" 1
134 1 13 LYS H 1 13 LYS HG2 . . 4.430 3.135 2.463 4.006 . 0 0 "[ . 1 . 2]" 1
135 1 13 LYS H 1 13 LYS QG . . 3.800 2.611 2.088 3.254 . 0 0 "[ . 1 . 2]" 1
136 1 13 LYS H 1 13 LYS HG3 . . 4.430 3.103 2.110 3.735 . 0 0 "[ . 1 . 2]" 1
137 1 13 LYS H 1 14 PHE H . . 3.090 2.568 1.930 2.816 . 0 0 "[ . 1 . 2]" 1
138 1 13 LYS H 1 26 PHE QE . . 4.950 4.598 3.863 4.943 . 0 0 "[ . 1 . 2]" 1
139 1 13 LYS H 1 61 VAL HA . . 3.650 2.470 2.275 2.634 . 0 0 "[ . 1 . 2]" 1
140 1 13 LYS H 1 61 VAL HB . . 4.860 4.727 4.506 4.860 . 0 0 "[ . 1 . 2]" 1
141 1 13 LYS H 1 61 VAL MG1 . . 4.130 3.829 3.521 4.086 . 0 0 "[ . 1 . 2]" 1
142 1 13 LYS H 1 62 ASP H . . 4.570 3.324 2.949 4.332 . 0 0 "[ . 1 . 2]" 1
143 1 13 LYS HA 1 13 LYS QD . . 4.840 3.274 2.207 4.237 . 0 0 "[ . 1 . 2]" 1
144 1 13 LYS HA 1 13 LYS HG2 . . 4.240 2.431 2.208 2.609 . 0 0 "[ . 1 . 2]" 1
145 1 13 LYS HA 1 13 LYS HG3 . . 4.240 3.411 3.080 3.715 . 0 0 "[ . 1 . 2]" 1
146 1 13 LYS HA 1 28 LYS QG . . 4.140 3.386 2.554 4.140 . 0 0 "[ . 1 . 2]" 1
147 1 13 LYS HA 1 29 GLY H . . 4.840 4.394 3.916 4.829 . 0 0 "[ . 1 . 2]" 1
148 1 13 LYS QB 1 13 LYS QD . . 3.480 2.318 2.141 2.521 . 0 0 "[ . 1 . 2]" 1
149 1 13 LYS QB 1 13 LYS QE . . 3.990 2.236 1.943 2.990 . 0 0 "[ . 1 . 2]" 1
150 1 13 LYS QB 1 14 PHE H . . 3.830 2.929 2.582 3.292 . 0 0 "[ . 1 . 2]" 1
151 1 13 LYS QB 1 14 PHE QD . . 4.040 2.575 2.098 3.345 . 0 0 "[ . 1 . 2]" 1
152 1 13 LYS QB 1 14 PHE QE . . 4.590 2.885 2.393 3.449 . 0 0 "[ . 1 . 2]" 1
153 1 13 LYS QB 1 61 VAL HA . . 4.320 3.829 3.535 4.171 . 0 0 "[ . 1 . 2]" 1
154 1 13 LYS QB 1 62 ASP H . . 4.880 4.171 3.577 4.879 . 0 0 "[ . 1 . 2]" 1
155 1 13 LYS QD 1 14 PHE QE . . 4.520 4.024 2.628 4.516 . 0 0 "[ . 1 . 2]" 1
156 1 13 LYS QD 1 62 ASP H . . 5.340 4.507 3.578 5.260 . 0 0 "[ . 1 . 2]" 1
157 1 13 LYS QE 1 14 PHE QE . . 4.360 3.339 2.511 4.300 . 0 0 "[ . 1 . 2]" 1
158 1 13 LYS QE 1 14 PHE HZ . . 4.710 4.304 3.132 4.708 . 0 0 "[ . 1 . 2]" 1
159 1 13 LYS QG 1 61 VAL HA . . 4.600 3.641 3.031 4.211 . 0 0 "[ . 1 . 2]" 1
160 1 13 LYS QG 1 62 ASP H . . 4.420 2.919 2.384 3.489 . 0 0 "[ . 1 . 2]" 1
161 1 13 LYS QG 1 62 ASP QB . . 3.820 2.121 1.876 2.552 . 0 0 "[ . 1 . 2]" 1
162 1 13 LYS HG2 1 62 ASP H . . 5.100 3.735 2.841 4.959 . 0 0 "[ . 1 . 2]" 1
163 1 13 LYS HG2 1 62 ASP HA . . 5.500 5.167 4.756 5.500 . 0 0 "[ . 1 . 2]" 1
164 1 13 LYS HG3 1 62 ASP H . . 5.100 3.253 2.408 4.146 . 0 0 "[ . 1 . 2]" 1
165 1 13 LYS HG3 1 62 ASP HA . . 5.500 4.220 3.654 4.961 . 0 0 "[ . 1 . 2]" 1
166 1 14 PHE H 1 14 PHE HB2 . . 3.790 2.844 2.679 2.999 . 0 0 "[ . 1 . 2]" 1
167 1 14 PHE H 1 14 PHE QD . . 4.570 3.296 2.570 3.745 . 0 0 "[ . 1 . 2]" 1
168 1 14 PHE H 1 15 ASN H . . 5.040 4.384 4.308 4.452 . 0 0 "[ . 1 . 2]" 1
169 1 14 PHE H 1 28 LYS HA . . 4.340 3.919 3.544 4.292 . 0 0 "[ . 1 . 2]" 1
170 1 14 PHE HA 1 15 ASN H . . 3.030 2.457 2.236 2.638 . 0 0 "[ . 1 . 2]" 1
171 1 14 PHE HA 1 28 LYS QB . . 3.940 2.727 2.250 3.361 . 0 0 "[ . 1 . 2]" 1
172 1 14 PHE HA 1 28 LYS HD2 . . 4.990 3.719 2.448 4.833 . 0 0 "[ . 1 . 2]" 1
173 1 14 PHE HA 1 28 LYS HD3 . . 4.990 3.878 2.620 4.984 . 0 0 "[ . 1 . 2]" 1
174 1 14 PHE HA 1 28 LYS QG . . 4.580 2.789 2.071 4.224 . 0 0 "[ . 1 . 2]" 1
175 1 14 PHE HB2 1 15 ASN H . . 3.920 3.531 3.074 3.920 0.000 16 0 "[ . 1 . 2]" 1
176 1 14 PHE HB2 1 60 TYR QD . . 4.080 3.344 2.967 3.725 . 0 0 "[ . 1 . 2]" 1
177 1 14 PHE HB2 1 60 TYR QE . . 4.320 4.010 3.675 4.315 . 0 0 "[ . 1 . 2]" 1
178 1 14 PHE HB3 1 15 ASN H . . 3.340 2.362 1.949 2.896 . 0 0 "[ . 1 . 2]" 1
179 1 14 PHE HB3 1 60 TYR QD . . 5.230 4.391 4.035 4.722 . 0 0 "[ . 1 . 2]" 1
180 1 14 PHE HB3 1 60 TYR QE . . 4.600 4.339 3.956 4.579 . 0 0 "[ . 1 . 2]" 1
181 1 14 PHE QD 1 15 ASN H . . 4.620 3.666 3.314 4.055 . 0 0 "[ . 1 . 2]" 1
182 1 14 PHE QD 1 28 LYS QB . . 5.340 4.707 3.921 5.247 . 0 0 "[ . 1 . 2]" 1
183 1 15 ASN H 1 15 ASN QB . . 3.150 2.465 2.222 2.858 . 0 0 "[ . 1 . 2]" 1
184 1 15 ASN H 1 15 ASN QD . . 5.000 3.721 1.828 4.778 . 0 0 "[ . 1 . 2]" 1
185 1 15 ASN H 1 28 LYS H . . 4.700 4.343 3.981 4.698 . 0 0 "[ . 1 . 2]" 1
186 1 15 ASN H 1 28 LYS QB . . 3.940 3.188 2.639 3.556 . 0 0 "[ . 1 . 2]" 1
187 1 15 ASN H 1 28 LYS QD . . 5.340 4.452 3.737 5.306 . 0 0 "[ . 1 . 2]" 1
188 1 15 ASN H 1 28 LYS QG . . 4.970 4.505 3.292 4.967 . 0 0 "[ . 1 . 2]" 1
189 1 15 ASN QB 1 16 PHE H . . 3.810 3.287 2.739 3.761 . 0 0 "[ . 1 . 2]" 1
190 1 15 ASN QB 1 27 ARG HA . . 4.510 3.379 2.800 4.378 . 0 0 "[ . 1 . 2]" 1
191 1 15 ASN QB 1 28 LYS H . . 4.680 3.189 2.344 4.321 . 0 0 "[ . 1 . 2]" 1
192 1 16 PHE H 1 16 PHE HB2 . . 3.950 2.960 2.678 3.197 . 0 0 "[ . 1 . 2]" 1
193 1 16 PHE H 1 16 PHE QB . . 3.340 2.466 2.297 2.703 . 0 0 "[ . 1 . 2]" 1
194 1 16 PHE H 1 16 PHE HB3 . . 3.950 2.642 2.484 2.916 . 0 0 "[ . 1 . 2]" 1
195 1 16 PHE H 1 26 PHE H . . 3.780 2.996 2.627 3.535 . 0 0 "[ . 1 . 2]" 1
196 1 16 PHE H 1 26 PHE QD . . 3.990 3.332 2.748 3.971 . 0 0 "[ . 1 . 2]" 1
197 1 16 PHE H 1 26 PHE QE . . 4.800 3.689 3.059 4.451 . 0 0 "[ . 1 . 2]" 1
198 1 16 PHE H 1 27 ARG HA . . 4.260 3.866 3.215 4.226 . 0 0 "[ . 1 . 2]" 1
199 1 16 PHE HA 1 17 ASN H . . 2.910 2.218 2.142 2.381 . 0 0 "[ . 1 . 2]" 1
200 1 16 PHE QB 1 26 PHE H . . 3.630 2.313 1.899 2.569 . 0 0 "[ . 1 . 2]" 1
201 1 16 PHE QB 1 26 PHE QE . . 4.290 2.542 2.228 2.849 . 0 0 "[ . 1 . 2]" 1
202 1 16 PHE QB 1 26 PHE HZ . . 3.910 2.555 2.281 2.802 . 0 0 "[ . 1 . 2]" 1
203 1 16 PHE QB 1 60 TYR QD . . 3.830 2.389 2.145 2.850 . 0 0 "[ . 1 . 2]" 1
204 1 16 PHE QB 1 60 TYR QE . . 4.390 3.229 2.705 3.552 . 0 0 "[ . 1 . 2]" 1
205 1 16 PHE HB2 1 26 PHE H . . 4.410 3.900 3.436 4.229 . 0 0 "[ . 1 . 2]" 1
206 1 16 PHE HB2 1 26 PHE HZ . . 4.610 2.614 2.329 2.900 . 0 0 "[ . 1 . 2]" 1
207 1 16 PHE HB3 1 26 PHE H . . 4.410 2.330 1.905 2.595 . 0 0 "[ . 1 . 2]" 1
208 1 16 PHE HB3 1 26 PHE HZ . . 4.610 3.613 3.218 4.030 . 0 0 "[ . 1 . 2]" 1
209 1 16 PHE QD 1 17 ASN H . . 4.400 3.192 2.429 3.877 . 0 0 "[ . 1 . 2]" 1
210 1 16 PHE QD 1 18 GLY H . . 5.210 3.255 2.296 4.430 . 0 0 "[ . 1 . 2]" 1
211 1 16 PHE QD 1 24 MET H . . 5.210 4.482 3.717 4.932 . 0 0 "[ . 1 . 2]" 1
212 1 16 PHE QD 1 25 SER HA . . 3.910 2.186 1.999 3.056 . 0 0 "[ . 1 . 2]" 1
213 1 16 PHE QD 1 26 PHE H . . 4.250 3.393 2.542 4.062 . 0 0 "[ . 1 . 2]" 1
214 1 16 PHE QD 1 26 PHE QE . . 3.810 3.398 2.088 3.808 . 0 0 "[ . 1 . 2]" 1
215 1 16 PHE QD 1 56 PHE HA . . 5.500 4.708 4.021 5.133 . 0 0 "[ . 1 . 2]" 1
216 1 16 PHE QD 1 56 PHE HB2 . . 4.880 4.277 3.293 4.717 . 0 0 "[ . 1 . 2]" 1
217 1 16 PHE QD 1 56 PHE QB . . 4.130 3.588 2.715 4.032 . 0 0 "[ . 1 . 2]" 1
218 1 16 PHE QD 1 56 PHE HB3 . . 4.880 3.880 2.829 4.417 . 0 0 "[ . 1 . 2]" 1
219 1 16 PHE QD 1 57 PRO HD2 . . 4.550 3.681 2.787 4.260 . 0 0 "[ . 1 . 2]" 1
220 1 16 PHE QD 1 60 TYR QE . . 4.000 2.537 2.284 2.927 . 0 0 "[ . 1 . 2]" 1
221 1 16 PHE QE 1 18 GLY QA . . 4.280 2.582 1.918 3.785 . 0 0 "[ . 1 . 2]" 1
222 1 16 PHE QE 1 23 GLU HB2 . . 4.740 3.866 3.349 4.658 . 0 0 "[ . 1 . 2]" 1
223 1 16 PHE QE 1 23 GLU HB3 . . 3.850 2.310 1.999 2.973 . 0 0 "[ . 1 . 2]" 1
224 1 16 PHE QE 1 23 GLU HG2 . . 5.150 3.659 2.734 4.300 . 0 0 "[ . 1 . 2]" 1
225 1 16 PHE QE 1 23 GLU HG3 . . 5.470 4.794 4.314 5.295 . 0 0 "[ . 1 . 2]" 1
226 1 16 PHE QE 1 24 MET H . . 4.120 3.552 2.130 4.045 . 0 0 "[ . 1 . 2]" 1
227 1 16 PHE QE 1 25 SER HA . . 4.980 4.068 3.400 4.712 . 0 0 "[ . 1 . 2]" 1
228 1 16 PHE QE 1 56 PHE HA . . 4.480 3.721 2.524 4.291 . 0 0 "[ . 1 . 2]" 1
229 1 16 PHE QE 1 56 PHE QB . . 4.270 3.641 2.672 4.211 . 0 0 "[ . 1 . 2]" 1
230 1 16 PHE QE 1 57 PRO HD2 . . 4.670 3.462 2.286 3.995 . 0 0 "[ . 1 . 2]" 1
231 1 16 PHE QE 1 57 PRO HD3 . . 4.470 3.152 2.019 3.788 . 0 0 "[ . 1 . 2]" 1
232 1 16 PHE QE 1 57 PRO HG2 . . 4.650 4.245 3.424 4.627 . 0 0 "[ . 1 . 2]" 1
233 1 16 PHE QE 1 57 PRO HG3 . . 4.650 3.171 2.297 3.671 . 0 0 "[ . 1 . 2]" 1
234 1 16 PHE HZ 1 18 GLY HA2 . . 5.060 3.626 2.904 4.499 . 0 0 "[ . 1 . 2]" 1
235 1 16 PHE HZ 1 18 GLY QA . . 4.210 3.460 2.854 4.127 . 0 0 "[ . 1 . 2]" 1
236 1 16 PHE HZ 1 18 GLY HA3 . . 5.060 4.620 3.976 5.058 . 0 0 "[ . 1 . 2]" 1
237 1 16 PHE HZ 1 23 GLU HB2 . . 5.400 4.835 3.777 5.337 . 0 0 "[ . 1 . 2]" 1
238 1 16 PHE HZ 1 23 GLU HB3 . . 4.350 3.549 2.489 4.187 . 0 0 "[ . 1 . 2]" 1
239 1 16 PHE HZ 1 23 GLU HG2 . . 4.820 3.619 3.110 4.341 . 0 0 "[ . 1 . 2]" 1
240 1 16 PHE HZ 1 23 GLU HG3 . . 5.500 4.918 4.511 5.364 . 0 0 "[ . 1 . 2]" 1
241 1 16 PHE HZ 1 42 TRP HH2 . . 4.390 3.484 3.086 4.374 . 0 0 "[ . 1 . 2]" 1
242 1 16 PHE HZ 1 42 TRP HZ3 . . 4.550 3.239 2.440 3.736 . 0 0 "[ . 1 . 2]" 1
243 1 16 PHE HZ 1 57 PRO HD3 . . 4.490 3.460 2.767 3.980 . 0 0 "[ . 1 . 2]" 1
244 1 17 ASN H 1 17 ASN QB . . 3.510 2.690 2.267 3.088 . 0 0 "[ . 1 . 2]" 1
245 1 17 ASN HA 1 18 GLY H . . 3.200 2.312 2.145 2.780 . 0 0 "[ . 1 . 2]" 1
246 1 17 ASN HA 1 25 SER HB2 . . 4.390 3.302 2.009 4.361 . 0 0 "[ . 1 . 2]" 1
247 1 17 ASN HA 1 25 SER QB . . 3.650 2.834 1.972 3.346 . 0 0 "[ . 1 . 2]" 1
248 1 17 ASN HA 1 25 SER HB3 . . 4.390 3.345 2.565 4.212 . 0 0 "[ . 1 . 2]" 1
249 1 17 ASN QB 1 18 GLY H . . 4.220 3.838 3.376 4.052 . 0 0 "[ . 1 . 2]" 1
250 1 18 GLY H 1 19 ASP H . . 4.830 4.226 1.818 4.641 . 0 0 "[ . 1 . 2]" 1
251 1 18 GLY H 1 25 SER HA . . 4.010 3.102 2.103 3.647 . 0 0 "[ . 1 . 2]" 1
252 1 18 GLY H 1 25 SER HB2 . . 4.310 3.179 1.901 4.309 . 0 0 "[ . 1 . 2]" 1
253 1 18 GLY H 1 25 SER QB . . 3.780 2.387 1.894 3.680 . 0 0 "[ . 1 . 2]" 1
254 1 18 GLY H 1 25 SER HB3 . . 4.310 2.650 1.910 3.994 . 0 0 "[ . 1 . 2]" 1
255 1 18 GLY H 1 26 PHE H . . 5.410 4.778 3.539 5.359 . 0 0 "[ . 1 . 2]" 1
256 1 18 GLY QA 1 19 ASP H . . 3.050 2.227 2.109 2.840 . 0 0 "[ . 1 . 2]" 1
257 1 18 GLY QA 1 20 THR H . . 4.390 3.623 2.995 4.137 . 0 0 "[ . 1 . 2]" 1
258 1 18 GLY QA 1 23 GLU HB2 . . 3.690 2.748 2.017 3.378 . 0 0 "[ . 1 . 2]" 1
259 1 18 GLY QA 1 23 GLU HB3 . . 3.680 2.443 1.987 3.294 . 0 0 "[ . 1 . 2]" 1
260 1 18 GLY HA2 1 20 THR H . . 5.050 4.047 3.641 4.599 . 0 0 "[ . 1 . 2]" 1
261 1 18 GLY HA2 1 23 GLU HB2 . . 4.310 3.439 2.675 4.077 . 0 0 "[ . 1 . 2]" 1
262 1 18 GLY HA2 1 23 GLU HB3 . . 4.200 3.047 2.473 3.945 . 0 0 "[ . 1 . 2]" 1
263 1 18 GLY HA3 1 20 THR H . . 5.050 4.171 3.082 4.842 . 0 0 "[ . 1 . 2]" 1
264 1 18 GLY HA3 1 23 GLU HB2 . . 4.310 2.961 2.029 3.747 . 0 0 "[ . 1 . 2]" 1
265 1 18 GLY HA3 1 23 GLU HB3 . . 4.200 2.707 2.000 3.572 . 0 0 "[ . 1 . 2]" 1
266 1 19 ASP H 1 19 ASP QB . . 3.370 2.501 2.152 3.139 . 0 0 "[ . 1 . 2]" 1
267 1 19 ASP H 1 20 THR H . . 3.340 2.434 1.970 3.008 . 0 0 "[ . 1 . 2]" 1
268 1 19 ASP H 1 20 THR MG . . 5.230 4.425 3.909 5.102 . 0 0 "[ . 1 . 2]" 1
269 1 19 ASP H 1 23 GLU HB2 . . 4.190 3.493 2.414 4.123 . 0 0 "[ . 1 . 2]" 1
270 1 19 ASP H 1 23 GLU HB3 . . 4.660 4.005 2.794 4.565 . 0 0 "[ . 1 . 2]" 1
271 1 19 ASP QB 1 20 THR H . . 3.780 2.712 2.192 3.760 . 0 0 "[ . 1 . 2]" 1
272 1 19 ASP QB 1 20 THR MG . . 3.680 3.071 2.489 3.610 . 0 0 "[ . 1 . 2]" 1
273 1 20 THR H 1 20 THR MG . . 3.670 2.698 1.990 3.458 . 0 0 "[ . 1 . 2]" 1
274 1 20 THR H 1 23 GLU HB2 . . 3.840 2.858 2.009 3.349 . 0 0 "[ . 1 . 2]" 1
275 1 20 THR H 1 23 GLU HB3 . . 4.770 4.272 3.427 4.732 . 0 0 "[ . 1 . 2]" 1
276 1 20 THR H 1 23 GLU HG2 . . 5.370 5.008 4.053 5.373 0.003 3 0 "[ . 1 . 2]" 1
277 1 20 THR HA 1 20 THR MG . . 3.450 2.301 2.071 3.128 . 0 0 "[ . 1 . 2]" 1
278 1 20 THR HB 1 21 GLN H . . 4.790 2.617 2.036 3.328 . 0 0 "[ . 1 . 2]" 1
279 1 20 THR HB 1 21 GLN QB . . 4.940 4.372 3.636 4.951 0.011 9 0 "[ . 1 . 2]" 1
280 1 20 THR HB 1 22 VAL H . . 4.020 2.949 2.350 3.962 . 0 0 "[ . 1 . 2]" 1
281 1 20 THR HB 1 22 VAL HB . . 5.440 4.550 3.482 5.441 0.001 9 0 "[ . 1 . 2]" 1
282 1 20 THR HB 1 22 VAL QG . . 4.420 2.537 1.972 3.753 . 0 0 "[ . 1 . 2]" 1
283 1 20 THR MG 1 21 GLN H . . 4.620 3.637 3.287 3.974 . 0 0 "[ . 1 . 2]" 1
284 1 20 THR MG 1 22 VAL H . . 5.030 4.370 2.879 4.703 . 0 0 "[ . 1 . 2]" 1
285 1 20 THR MG 1 23 GLU HB2 . . 4.810 4.485 3.654 4.800 . 0 0 "[ . 1 . 2]" 1
286 1 21 GLN H 1 22 VAL H . . 4.940 2.777 2.420 3.152 . 0 0 "[ . 1 . 2]" 1
287 1 21 GLN H 1 22 VAL QG . . 5.120 3.758 3.464 4.285 . 0 0 "[ . 1 . 2]" 1
288 1 21 GLN HA 1 23 GLU H . . 4.720 4.003 3.490 4.483 . 0 0 "[ . 1 . 2]" 1
289 1 21 GLN QB 1 22 VAL H . . 3.920 2.867 2.170 3.717 . 0 0 "[ . 1 . 2]" 1
290 1 21 GLN QG 1 22 VAL H . . 4.680 2.895 1.860 3.946 . 0 0 "[ . 1 . 2]" 1
291 1 21 GLN QG 1 22 VAL QG . . 4.460 3.746 2.455 4.459 . 0 0 "[ . 1 . 2]" 1
292 1 22 VAL H 1 22 VAL HB . . 4.030 2.815 2.469 3.637 . 0 0 "[ . 1 . 2]" 1
293 1 22 VAL H 1 22 VAL MG1 . . 3.790 2.357 1.910 3.768 . 0 0 "[ . 1 . 2]" 1
294 1 22 VAL H 1 22 VAL QG . . 3.130 2.041 1.889 2.355 . 0 0 "[ . 1 . 2]" 1
295 1 22 VAL H 1 22 VAL MG2 . . 3.790 3.200 2.016 3.801 0.011 9 0 "[ . 1 . 2]" 1
296 1 22 VAL H 1 23 GLU H . . 3.350 2.791 2.422 3.166 . 0 0 "[ . 1 . 2]" 1
297 1 22 VAL H 1 23 GLU HG3 . . 5.500 4.767 3.872 5.219 . 0 0 "[ . 1 . 2]" 1
298 1 22 VAL HB 1 55 ILE MD . . 4.920 4.037 2.390 4.860 . 0 0 "[ . 1 . 2]" 1
299 1 22 VAL QG 1 23 GLU H . . 3.890 2.358 1.839 3.396 . 0 0 "[ . 1 . 2]" 1
300 1 22 VAL QG 1 23 GLU HG2 . . 4.620 3.527 2.784 4.452 . 0 0 "[ . 1 . 2]" 1
301 1 22 VAL QG 1 23 GLU HG3 . . 3.910 2.457 1.946 3.738 . 0 0 "[ . 1 . 2]" 1
302 1 22 VAL QG 1 55 ILE H . . 5.440 3.671 2.691 4.972 . 0 0 "[ . 1 . 2]" 1
303 1 22 VAL QG 1 55 ILE MD . . 3.190 2.200 1.783 2.931 . 0 0 "[ . 1 . 2]" 1
304 1 22 VAL MG1 1 23 GLU H . . 4.710 2.831 1.874 4.102 . 0 0 "[ . 1 . 2]" 1
305 1 22 VAL MG1 1 23 GLU HG3 . . 4.790 3.042 1.952 4.810 0.020 3 0 "[ . 1 . 2]" 1
306 1 22 VAL MG1 1 55 ILE MD . . 4.030 2.823 1.786 4.007 . 0 0 "[ . 1 . 2]" 1
307 1 22 VAL MG2 1 23 GLU H . . 4.710 3.367 1.843 4.149 . 0 0 "[ . 1 . 2]" 1
308 1 22 VAL MG2 1 23 GLU HG3 . . 4.790 3.642 1.966 4.756 . 0 0 "[ . 1 . 2]" 1
309 1 22 VAL MG2 1 55 ILE MD . . 4.030 2.595 1.981 3.976 . 0 0 "[ . 1 . 2]" 1
310 1 23 GLU H 1 23 GLU HB2 . . 3.270 2.383 2.236 2.880 . 0 0 "[ . 1 . 2]" 1
311 1 23 GLU H 1 23 GLU HB3 . . 4.080 3.599 3.521 3.903 . 0 0 "[ . 1 . 2]" 1
312 1 23 GLU H 1 23 GLU HG2 . . 4.430 3.866 3.482 4.333 . 0 0 "[ . 1 . 2]" 1
313 1 23 GLU H 1 23 GLU HG3 . . 3.670 2.741 2.391 3.615 . 0 0 "[ . 1 . 2]" 1
314 1 23 GLU H 1 55 ILE QG . . 5.110 3.962 3.553 4.661 . 0 0 "[ . 1 . 2]" 1
315 1 23 GLU HA 1 23 GLU HG2 . . 4.130 2.531 2.332 2.714 . 0 0 "[ . 1 . 2]" 1
316 1 23 GLU HA 1 23 GLU HG3 . . 4.250 2.906 2.619 3.305 . 0 0 "[ . 1 . 2]" 1
317 1 23 GLU HA 1 24 MET H . . 3.130 2.223 2.141 2.387 . 0 0 "[ . 1 . 2]" 1
318 1 23 GLU HA 1 55 ILE H . . 3.370 2.229 1.900 2.646 . 0 0 "[ . 1 . 2]" 1
319 1 23 GLU HA 1 55 ILE HG12 . . 4.120 2.544 2.196 2.910 . 0 0 "[ . 1 . 2]" 1
320 1 23 GLU HA 1 55 ILE HG13 . . 4.120 2.543 2.023 3.153 . 0 0 "[ . 1 . 2]" 1
321 1 23 GLU HB3 1 24 MET H . . 3.830 3.014 2.462 3.443 . 0 0 "[ . 1 . 2]" 1
322 1 23 GLU HB3 1 42 TRP HZ3 . . 5.450 4.679 4.001 5.106 . 0 0 "[ . 1 . 2]" 1
323 1 23 GLU HG2 1 42 TRP HE3 . . 5.500 4.856 4.235 5.298 . 0 0 "[ . 1 . 2]" 1
324 1 23 GLU HG2 1 42 TRP HH2 . . 5.500 4.406 3.875 4.958 . 0 0 "[ . 1 . 2]" 1
325 1 23 GLU HG2 1 42 TRP HZ3 . . 4.410 3.203 2.515 4.039 . 0 0 "[ . 1 . 2]" 1
326 1 23 GLU HG2 1 55 ILE MD . . 4.280 2.981 2.000 3.623 . 0 0 "[ . 1 . 2]" 1
327 1 23 GLU HG2 1 55 ILE HG12 . . 4.580 3.473 3.079 4.189 . 0 0 "[ . 1 . 2]" 1
328 1 23 GLU HG2 1 55 ILE QG . . 3.760 2.410 2.002 2.870 . 0 0 "[ . 1 . 2]" 1
329 1 23 GLU HG2 1 55 ILE HG13 . . 4.580 2.464 2.028 2.923 . 0 0 "[ . 1 . 2]" 1
330 1 23 GLU HG3 1 55 ILE MD . . 4.240 3.175 2.634 3.756 . 0 0 "[ . 1 . 2]" 1
331 1 23 GLU HG3 1 55 ILE HG12 . . 4.720 3.727 3.083 4.411 . 0 0 "[ . 1 . 2]" 1
332 1 23 GLU HG3 1 55 ILE QG . . 3.930 3.171 2.544 3.704 . 0 0 "[ . 1 . 2]" 1
333 1 23 GLU HG3 1 55 ILE HG13 . . 4.720 3.450 2.710 4.167 . 0 0 "[ . 1 . 2]" 1
334 1 24 MET H 1 24 MET HB2 . . 3.860 3.031 2.796 3.250 . 0 0 "[ . 1 . 2]" 1
335 1 24 MET H 1 24 MET HB3 . . 3.530 2.500 2.361 2.714 . 0 0 "[ . 1 . 2]" 1
336 1 24 MET H 1 24 MET ME . . 5.160 4.710 4.357 5.100 . 0 0 "[ . 1 . 2]" 1
337 1 24 MET H 1 24 MET QG . . 4.940 4.102 3.891 4.257 . 0 0 "[ . 1 . 2]" 1
338 1 24 MET H 1 25 SER H . . 5.000 4.353 3.586 4.524 . 0 0 "[ . 1 . 2]" 1
339 1 24 MET H 1 42 TRP HZ3 . . 5.500 5.364 4.957 5.501 0.001 7 0 "[ . 1 . 2]" 1
340 1 24 MET H 1 54 GLY QA . . 4.320 3.097 2.750 3.641 . 0 0 "[ . 1 . 2]" 1
341 1 24 MET H 1 55 ILE H . . 3.880 2.548 1.832 3.321 . 0 0 "[ . 1 . 2]" 1
342 1 24 MET H 1 55 ILE QG . . 4.720 3.546 3.102 3.852 . 0 0 "[ . 1 . 2]" 1
343 1 24 MET H 1 56 PHE QB . . 4.820 3.770 3.421 4.136 . 0 0 "[ . 1 . 2]" 1
344 1 24 MET H 1 56 PHE QD . . 5.000 3.829 3.512 4.134 . 0 0 "[ . 1 . 2]" 1
345 1 24 MET HA 1 24 MET ME . . 5.500 4.711 4.564 4.820 . 0 0 "[ . 1 . 2]" 1
346 1 24 MET HA 1 24 MET HG2 . . 4.020 2.717 2.430 3.394 . 0 0 "[ . 1 . 2]" 1
347 1 24 MET HA 1 24 MET HG3 . . 4.020 3.327 2.588 3.713 . 0 0 "[ . 1 . 2]" 1
348 1 24 MET HA 1 25 SER H . . 2.930 2.172 2.141 2.321 . 0 0 "[ . 1 . 2]" 1
349 1 24 MET HB2 1 24 MET ME . . 3.710 3.508 3.287 3.700 . 0 0 "[ . 1 . 2]" 1
350 1 24 MET HB2 1 25 SER H . . 4.710 4.196 3.906 4.575 . 0 0 "[ . 1 . 2]" 1
351 1 24 MET HB2 1 54 GLY H . . 4.150 3.033 2.449 3.583 . 0 0 "[ . 1 . 2]" 1
352 1 24 MET HB2 1 54 GLY HA2 . . 4.590 3.761 3.482 4.296 . 0 0 "[ . 1 . 2]" 1
353 1 24 MET HB2 1 54 GLY QA . . 3.790 2.240 1.989 2.748 . 0 0 "[ . 1 . 2]" 1
354 1 24 MET HB2 1 54 GLY HA3 . . 4.590 2.258 2.000 2.780 . 0 0 "[ . 1 . 2]" 1
355 1 24 MET HB2 1 56 PHE QD . . 4.990 4.301 3.814 4.878 . 0 0 "[ . 1 . 2]" 1
356 1 24 MET HB3 1 24 MET ME . . 3.180 2.651 2.365 2.931 . 0 0 "[ . 1 . 2]" 1
357 1 24 MET HB3 1 26 PHE QE . . 5.430 4.858 4.449 5.414 . 0 0 "[ . 1 . 2]" 1
358 1 24 MET HB3 1 54 GLY H . . 3.880 3.686 3.038 3.880 . 0 0 "[ . 1 . 2]" 1
359 1 24 MET HB3 1 54 GLY QA . . 4.280 3.159 2.468 3.704 . 0 0 "[ . 1 . 2]" 1
360 1 24 MET HB3 1 56 PHE QD . . 4.260 2.688 2.344 3.169 . 0 0 "[ . 1 . 2]" 1
361 1 24 MET ME 1 24 MET QG . . 3.160 2.180 2.033 2.318 . 0 0 "[ . 1 . 2]" 1
362 1 24 MET ME 1 26 PHE HA . . 5.500 4.741 4.143 5.119 . 0 0 "[ . 1 . 2]" 1
363 1 24 MET ME 1 26 PHE QB . . 4.190 2.984 2.455 3.326 . 0 0 "[ . 1 . 2]" 1
364 1 24 MET ME 1 26 PHE QD . . 3.750 2.697 2.213 3.250 . 0 0 "[ . 1 . 2]" 1
365 1 24 MET ME 1 26 PHE QE . . 4.520 4.015 3.418 4.427 . 0 0 "[ . 1 . 2]" 1
366 1 24 MET ME 1 32 ILE HA . . 4.470 3.885 3.623 4.140 . 0 0 "[ . 1 . 2]" 1
367 1 24 MET ME 1 32 ILE MD . . 3.500 2.816 2.044 3.427 . 0 0 "[ . 1 . 2]" 1
368 1 24 MET ME 1 32 ILE HG12 . . 4.250 2.573 2.161 2.835 . 0 0 "[ . 1 . 2]" 1
369 1 24 MET ME 1 32 ILE QG . . 3.450 2.546 2.148 2.796 . 0 0 "[ . 1 . 2]" 1
370 1 24 MET ME 1 32 ILE HG13 . . 4.250 4.063 3.623 4.250 . 11 0 "[ . 1 . 2]" 1
371 1 24 MET ME 1 32 ILE MG . . 2.950 2.184 1.841 2.652 . 0 0 "[ . 1 . 2]" 1
372 1 24 MET ME 1 33 THR H . . 5.500 4.883 4.440 5.256 . 0 0 "[ . 1 . 2]" 1
373 1 24 MET ME 1 45 GLY H . . 4.250 3.797 3.278 4.087 . 0 0 "[ . 1 . 2]" 1
374 1 24 MET ME 1 45 GLY HA2 . . 4.930 4.745 4.076 4.918 . 0 0 "[ . 1 . 2]" 1
375 1 24 MET ME 1 45 GLY HA3 . . 4.060 3.772 3.046 3.996 . 0 0 "[ . 1 . 2]" 1
376 1 24 MET ME 1 46 ARG H . . 4.720 4.162 3.580 4.350 . 0 0 "[ . 1 . 2]" 1
377 1 24 MET ME 1 46 ARG HA . . 3.610 3.038 2.457 3.574 . 0 0 "[ . 1 . 2]" 1
378 1 24 MET ME 1 47 ILE H . . 4.520 4.006 3.296 4.511 . 0 0 "[ . 1 . 2]" 1
379 1 24 MET ME 1 47 ILE HA . . 4.450 4.192 3.793 4.448 . 0 0 "[ . 1 . 2]" 1
380 1 24 MET ME 1 47 ILE MD . . 3.280 2.088 1.848 2.322 . 0 0 "[ . 1 . 2]" 1
381 1 24 MET ME 1 47 ILE QG . . 4.050 2.308 2.026 3.099 . 0 0 "[ . 1 . 2]" 1
382 1 24 MET ME 1 53 GLN HA . . 4.630 3.743 2.751 4.422 . 0 0 "[ . 1 . 2]" 1
383 1 24 MET ME 1 54 GLY H . . 4.330 3.843 3.071 4.328 . 0 0 "[ . 1 . 2]" 1
384 1 24 MET ME 1 54 GLY QA . . 5.340 4.658 4.176 5.103 . 0 0 "[ . 1 . 2]" 1
385 1 24 MET ME 1 56 PHE QD . . 3.180 2.615 2.172 3.031 . 0 0 "[ . 1 . 2]" 1
386 1 24 MET ME 1 56 PHE QE . . 3.040 2.187 1.883 2.488 . 0 0 "[ . 1 . 2]" 1
387 1 24 MET ME 1 56 PHE HZ . . 4.600 3.930 3.578 4.247 . 0 0 "[ . 1 . 2]" 1
388 1 24 MET QG 1 26 PHE QD . . 4.460 3.933 2.873 4.392 . 0 0 "[ . 1 . 2]" 1
389 1 24 MET QG 1 47 ILE MD . . 4.640 3.970 3.324 4.263 . 0 0 "[ . 1 . 2]" 1
390 1 24 MET QG 1 52 ARG HB3 . . 4.210 2.533 2.117 3.304 . 0 0 "[ . 1 . 2]" 1
391 1 24 MET QG 1 53 GLN H . . 5.020 3.913 3.148 4.845 . 0 0 "[ . 1 . 2]" 1
392 1 24 MET QG 1 54 GLY H . . 5.340 3.835 3.152 4.586 . 0 0 "[ . 1 . 2]" 1
393 1 24 MET HG2 1 25 SER H . . 4.440 2.915 2.257 4.128 . 0 0 "[ . 1 . 2]" 1
394 1 24 MET HG2 1 26 PHE QD . . 5.210 4.264 2.904 4.954 . 0 0 "[ . 1 . 2]" 1
395 1 24 MET HG2 1 52 ARG HB3 . . 4.870 3.121 2.155 4.640 . 0 0 "[ . 1 . 2]" 1
396 1 24 MET HG3 1 25 SER H . . 4.440 4.079 3.101 4.441 0.001 15 0 "[ . 1 . 2]" 1
397 1 24 MET HG3 1 26 PHE QD . . 5.210 4.880 4.555 5.165 . 0 0 "[ . 1 . 2]" 1
398 1 24 MET HG3 1 52 ARG HB3 . . 4.870 2.958 2.213 3.984 . 0 0 "[ . 1 . 2]" 1
399 1 25 SER H 1 25 SER HB2 . . 3.920 3.359 2.484 3.709 . 0 0 "[ . 1 . 2]" 1
400 1 25 SER H 1 25 SER QB . . 3.190 2.589 2.223 2.863 . 0 0 "[ . 1 . 2]" 1
401 1 25 SER H 1 25 SER HB3 . . 3.920 2.874 2.333 3.670 . 0 0 "[ . 1 . 2]" 1
402 1 25 SER H 1 26 PHE H . . 4.970 4.545 4.425 4.628 . 0 0 "[ . 1 . 2]" 1
403 1 25 SER HA 1 26 PHE H . . 3.010 2.215 2.141 2.347 . 0 0 "[ . 1 . 2]" 1
404 1 25 SER QB 1 26 PHE H . . 3.430 3.019 2.631 3.422 . 0 0 "[ . 1 . 2]" 1
405 1 25 SER HB2 1 26 PHE H . . 4.210 3.309 2.671 4.210 . 15 0 "[ . 1 . 2]" 1
406 1 25 SER HB3 1 26 PHE H . . 4.210 3.904 3.000 4.202 . 0 0 "[ . 1 . 2]" 1
407 1 26 PHE H 1 26 PHE QD . . 4.510 3.097 2.749 3.294 . 0 0 "[ . 1 . 2]" 1
408 1 26 PHE H 1 27 ARG H . . 5.160 4.417 4.342 4.458 . 0 0 "[ . 1 . 2]" 1
409 1 26 PHE HA 1 27 ARG H . . 3.230 2.339 2.259 2.481 . 0 0 "[ . 1 . 2]" 1
410 1 26 PHE QB 1 27 ARG H . . 3.070 2.558 2.240 2.763 . 0 0 "[ . 1 . 2]" 1
411 1 26 PHE QB 1 30 GLU QB . . 3.740 2.982 2.592 3.531 . 0 0 "[ . 1 . 2]" 1
412 1 26 PHE QB 1 32 ILE MD . . 4.360 2.940 2.332 3.428 . 0 0 "[ . 1 . 2]" 1
413 1 26 PHE QB 1 47 ILE MD . . 3.440 2.673 2.224 3.155 . 0 0 "[ . 1 . 2]" 1
414 1 26 PHE HB2 1 27 ARG H . . 3.800 2.609 2.266 2.838 . 0 0 "[ . 1 . 2]" 1
415 1 26 PHE HB2 1 32 ILE MD . . 4.980 3.350 2.842 3.785 . 0 0 "[ . 1 . 2]" 1
416 1 26 PHE HB2 1 47 ILE MD . . 4.060 3.406 2.775 4.003 . 0 0 "[ . 1 . 2]" 1
417 1 26 PHE HB3 1 27 ARG H . . 3.800 3.717 3.498 3.800 . 0 0 "[ . 1 . 2]" 1
418 1 26 PHE HB3 1 32 ILE MD . . 4.980 3.266 2.478 3.918 . 0 0 "[ . 1 . 2]" 1
419 1 26 PHE HB3 1 47 ILE MD . . 4.060 2.800 2.309 3.395 . 0 0 "[ . 1 . 2]" 1
420 1 26 PHE QD 1 27 ARG H . . 4.290 3.776 3.375 4.032 . 0 0 "[ . 1 . 2]" 1
421 1 26 PHE QD 1 27 ARG HA . . 4.910 3.954 3.380 4.247 . 0 0 "[ . 1 . 2]" 1
422 1 26 PHE QD 1 32 ILE MD . . 3.940 2.837 2.219 3.380 . 0 0 "[ . 1 . 2]" 1
423 1 26 PHE QD 1 47 ILE MD . . 4.340 4.022 3.599 4.337 . 0 0 "[ . 1 . 2]" 1
424 1 26 PHE QD 1 56 PHE QB . . 4.480 3.605 3.347 3.819 . 0 0 "[ . 1 . 2]" 1
425 1 26 PHE QD 1 61 VAL MG1 . . 4.030 3.740 3.431 3.927 . 0 0 "[ . 1 . 2]" 1
426 1 26 PHE QE 1 32 ILE MD . . 4.250 3.360 2.930 3.910 . 0 0 "[ . 1 . 2]" 1
427 1 26 PHE QE 1 56 PHE HB2 . . 3.430 2.170 2.075 2.295 . 0 0 "[ . 1 . 2]" 1
428 1 26 PHE QE 1 56 PHE HB3 . . 3.430 2.227 2.012 2.478 . 0 0 "[ . 1 . 2]" 1
429 1 26 PHE QE 1 57 PRO HD2 . . 4.320 3.528 3.151 3.842 . 0 0 "[ . 1 . 2]" 1
430 1 26 PHE QE 1 57 PRO HD3 . . 5.500 5.044 4.662 5.356 . 0 0 "[ . 1 . 2]" 1
431 1 26 PHE QE 1 60 TYR HB2 . . 4.130 4.058 3.778 4.131 0.001 15 0 "[ . 1 . 2]" 1
432 1 26 PHE QE 1 60 TYR QB . . 3.560 2.671 2.338 2.807 . 0 0 "[ . 1 . 2]" 1
433 1 26 PHE QE 1 60 TYR HB3 . . 4.130 2.710 2.361 2.856 . 0 0 "[ . 1 . 2]" 1
434 1 26 PHE QE 1 61 VAL MG1 . . 3.800 2.936 2.501 3.258 . 0 0 "[ . 1 . 2]" 1
435 1 26 PHE HZ 1 32 ILE MD . . 5.010 4.203 3.841 4.722 . 0 0 "[ . 1 . 2]" 1
436 1 26 PHE HZ 1 56 PHE QB . . 4.290 2.980 2.728 3.329 . 0 0 "[ . 1 . 2]" 1
437 1 26 PHE HZ 1 57 PRO HD2 . . 5.030 3.421 3.168 3.688 . 0 0 "[ . 1 . 2]" 1
438 1 26 PHE HZ 1 60 TYR H . . 5.160 5.097 4.915 5.159 . 0 0 "[ . 1 . 2]" 1
439 1 26 PHE HZ 1 60 TYR HB2 . . 3.880 2.894 2.688 2.996 . 0 0 "[ . 1 . 2]" 1
440 1 26 PHE HZ 1 60 TYR HB3 . . 3.880 2.080 2.001 2.206 . 0 0 "[ . 1 . 2]" 1
441 1 26 PHE HZ 1 61 VAL MG1 . . 3.670 2.770 2.315 3.197 . 0 0 "[ . 1 . 2]" 1
442 1 27 ARG H 1 27 ARG HB2 . . 4.090 2.612 2.282 3.049 . 0 0 "[ . 1 . 2]" 1
443 1 27 ARG H 1 27 ARG QB . . 3.210 2.351 2.256 2.517 . 0 0 "[ . 1 . 2]" 1
444 1 27 ARG H 1 27 ARG HB3 . . 4.090 2.851 2.458 3.558 . 0 0 "[ . 1 . 2]" 1
445 1 27 ARG H 1 27 ARG HG2 . . 4.890 4.520 4.137 4.765 . 0 0 "[ . 1 . 2]" 1
446 1 27 ARG H 1 27 ARG QG . . 4.280 3.891 3.015 4.180 . 0 0 "[ . 1 . 2]" 1
447 1 27 ARG H 1 27 ARG HG3 . . 4.890 4.305 3.097 4.866 . 0 0 "[ . 1 . 2]" 1
448 1 27 ARG H 1 30 GLU H . . 5.020 4.476 4.138 4.981 . 0 0 "[ . 1 . 2]" 1
449 1 27 ARG H 1 30 GLU QB . . 4.190 2.886 2.479 3.270 . 0 0 "[ . 1 . 2]" 1
450 1 27 ARG H 1 30 GLU QG . . 3.700 2.635 1.910 3.580 . 0 0 "[ . 1 . 2]" 1
451 1 27 ARG HA 1 27 ARG QD . . 4.170 3.541 2.055 4.131 . 0 0 "[ . 1 . 2]" 1
452 1 27 ARG HA 1 28 LYS H . . 3.010 2.260 2.174 2.606 . 0 0 "[ . 1 . 2]" 1
453 1 27 ARG HA 1 28 LYS HA . . 4.540 4.314 4.296 4.333 . 0 0 "[ . 1 . 2]" 1
454 1 27 ARG QB 1 28 LYS H . . 3.670 3.317 1.997 3.670 . 0 0 "[ . 1 . 2]" 1
455 1 27 ARG QB 1 30 GLU QG . . 3.460 2.119 1.806 2.908 . 0 0 "[ . 1 . 2]" 1
456 1 27 ARG QG 1 28 LYS H . . 3.640 2.601 2.084 3.556 . 0 0 "[ . 1 . 2]" 1
457 1 28 LYS H 1 28 LYS HB2 . . 3.570 2.498 2.264 2.748 . 0 0 "[ . 1 . 2]" 1
458 1 28 LYS H 1 28 LYS QB . . 3.040 2.232 2.181 2.279 . 0 0 "[ . 1 . 2]" 1
459 1 28 LYS H 1 28 LYS HB3 . . 3.570 2.571 2.319 2.904 . 0 0 "[ . 1 . 2]" 1
460 1 28 LYS H 1 28 LYS QG . . 4.430 3.950 3.862 4.003 . 0 0 "[ . 1 . 2]" 1
461 1 28 LYS HA 1 28 LYS QG . . 3.350 2.519 2.377 2.983 . 0 0 "[ . 1 . 2]" 1
462 1 28 LYS HA 1 29 GLY H . . 2.890 2.180 2.144 2.264 . 0 0 "[ . 1 . 2]" 1
463 1 28 LYS HA 1 30 GLU H . . 4.410 3.814 3.429 4.142 . 0 0 "[ . 1 . 2]" 1
464 1 28 LYS QB 1 28 LYS QD . . 3.270 2.168 2.036 2.265 . 0 0 "[ . 1 . 2]" 1
465 1 28 LYS QE 1 28 LYS QG . . 3.460 2.235 2.062 2.485 . 0 0 "[ . 1 . 2]" 1
466 1 28 LYS QG 1 29 GLY H . . 3.670 2.822 2.286 3.512 . 0 0 "[ . 1 . 2]" 1
467 1 29 GLY H 1 30 GLU H . . 3.650 2.826 2.033 3.190 . 0 0 "[ . 1 . 2]" 1
468 1 30 GLU H 1 30 GLU HB2 . . 3.980 2.464 2.284 2.651 . 0 0 "[ . 1 . 2]" 1
469 1 30 GLU H 1 30 GLU QB . . 3.130 2.424 2.258 2.602 . 0 0 "[ . 1 . 2]" 1
470 1 30 GLU H 1 30 GLU HB3 . . 3.980 3.607 3.549 3.785 . 0 0 "[ . 1 . 2]" 1
471 1 30 GLU H 1 30 GLU HG2 . . 4.060 2.805 2.117 3.989 . 0 0 "[ . 1 . 2]" 1
472 1 30 GLU H 1 30 GLU QG . . 3.210 2.480 2.103 3.211 0.001 18 0 "[ . 1 . 2]" 1
473 1 30 GLU H 1 30 GLU HG3 . . 4.060 3.308 2.148 4.008 . 0 0 "[ . 1 . 2]" 1
474 1 30 GLU HA 1 30 GLU HG2 . . 3.870 2.705 2.291 3.713 . 0 0 "[ . 1 . 2]" 1
475 1 30 GLU HA 1 30 GLU QG . . 3.330 2.580 2.233 2.965 . 0 0 "[ . 1 . 2]" 1
476 1 30 GLU HA 1 30 GLU HG3 . . 3.870 3.508 2.705 3.808 . 0 0 "[ . 1 . 2]" 1
477 1 30 GLU HA 1 31 ARG H . . 2.850 2.274 2.168 2.443 . 0 0 "[ . 1 . 2]" 1
478 1 30 GLU HA 1 31 ARG QB . . 4.610 4.088 3.941 4.394 . 0 0 "[ . 1 . 2]" 1
479 1 30 GLU QB 1 31 ARG H . . 3.550 2.749 2.311 3.073 . 0 0 "[ . 1 . 2]" 1
480 1 30 GLU QB 1 47 ILE MD . . 3.920 3.083 2.390 3.652 . 0 0 "[ . 1 . 2]" 1
481 1 30 GLU HB2 1 31 ARG H . . 4.120 3.970 3.675 4.117 . 0 0 "[ . 1 . 2]" 1
482 1 30 GLU HB3 1 31 ARG H . . 4.120 2.807 2.336 3.172 . 0 0 "[ . 1 . 2]" 1
483 1 30 GLU QG 1 31 ARG H . . 4.540 4.142 3.593 4.534 . 0 0 "[ . 1 . 2]" 1
484 1 31 ARG H 1 31 ARG HB2 . . 3.570 2.831 2.186 3.604 0.034 16 0 "[ . 1 . 2]" 1
485 1 31 ARG H 1 31 ARG QB . . 3.080 2.362 2.163 2.620 . 0 0 "[ . 1 . 2]" 1
486 1 31 ARG H 1 31 ARG HB3 . . 3.570 2.737 2.363 3.495 . 0 0 "[ . 1 . 2]" 1
487 1 31 ARG H 1 31 ARG QD . . 5.220 4.287 2.710 4.921 . 0 0 "[ . 1 . 2]" 1
488 1 31 ARG H 1 31 ARG HG2 . . 4.820 3.966 1.900 4.727 . 0 0 "[ . 1 . 2]" 1
489 1 31 ARG H 1 31 ARG HG3 . . 4.820 4.195 3.270 4.748 . 0 0 "[ . 1 . 2]" 1
490 1 31 ARG H 1 47 ILE MD . . 4.880 4.358 3.917 4.835 . 0 0 "[ . 1 . 2]" 1
491 1 31 ARG H 1 47 ILE MG . . 5.050 4.579 3.920 5.052 0.002 15 0 "[ . 1 . 2]" 1
492 1 31 ARG HA 1 31 ARG HG2 . . 4.140 3.186 2.543 3.785 . 0 0 "[ . 1 . 2]" 1
493 1 31 ARG HA 1 31 ARG HG3 . . 4.140 2.796 2.158 3.883 . 0 0 "[ . 1 . 2]" 1
494 1 31 ARG HA 1 32 ILE H . . 3.030 2.266 2.140 2.532 . 0 0 "[ . 1 . 2]" 1
495 1 31 ARG QB 1 32 ILE H . . 3.960 3.255 2.249 3.880 . 0 0 "[ . 1 . 2]" 1
496 1 31 ARG QB 1 32 ILE HA . . 5.340 4.415 3.834 4.707 . 0 0 "[ . 1 . 2]" 1
497 1 31 ARG HB2 1 32 ILE H . . 4.660 3.812 2.269 4.566 . 0 0 "[ . 1 . 2]" 1
498 1 31 ARG HB3 1 32 ILE H . . 4.660 3.830 2.570 4.311 . 0 0 "[ . 1 . 2]" 1
499 1 31 ARG QG 1 32 ILE H . . 4.020 2.940 2.160 3.540 . 0 0 "[ . 1 . 2]" 1
500 1 31 ARG QG 1 32 ILE HA . . 5.340 4.216 3.229 5.386 0.046 19 0 "[ . 1 . 2]" 1
501 1 31 ARG HG2 1 32 ILE H . . 4.580 3.512 2.643 4.567 . 0 0 "[ . 1 . 2]" 1
502 1 31 ARG HG3 1 32 ILE H . . 4.580 3.386 2.172 4.107 . 0 0 "[ . 1 . 2]" 1
503 1 32 ILE H 1 32 ILE HB . . 3.310 2.699 2.501 2.950 . 0 0 "[ . 1 . 2]" 1
504 1 32 ILE H 1 32 ILE MD . . 4.410 3.811 3.434 4.415 0.005 18 0 "[ . 1 . 2]" 1
505 1 32 ILE H 1 32 ILE HG12 . . 4.480 4.040 3.673 4.355 . 0 0 "[ . 1 . 2]" 1
506 1 32 ILE H 1 32 ILE QG . . 3.610 2.703 2.244 3.165 . 0 0 "[ . 1 . 2]" 1
507 1 32 ILE H 1 32 ILE HG13 . . 4.480 2.750 2.263 3.262 . 0 0 "[ . 1 . 2]" 1
508 1 32 ILE H 1 32 ILE MG . . 4.420 3.863 3.787 3.943 . 0 0 "[ . 1 . 2]" 1
509 1 32 ILE HA 1 32 ILE MD . . 4.710 3.885 3.809 3.934 . 0 0 "[ . 1 . 2]" 1
510 1 32 ILE HA 1 32 ILE HG12 . . 3.820 2.702 2.489 2.839 . 0 0 "[ . 1 . 2]" 1
511 1 32 ILE HA 1 32 ILE HG13 . . 3.820 2.871 2.707 2.986 . 0 0 "[ . 1 . 2]" 1
512 1 32 ILE HA 1 32 ILE MG . . 3.440 2.345 2.223 2.440 . 0 0 "[ . 1 . 2]" 1
513 1 32 ILE HA 1 33 THR H . . 2.890 2.156 2.139 2.188 . 0 0 "[ . 1 . 2]" 1
514 1 32 ILE HA 1 33 THR HB . . 4.760 4.691 4.624 4.746 . 0 0 "[ . 1 . 2]" 1
515 1 32 ILE HA 1 47 ILE HA . . 3.940 3.542 3.318 3.770 . 0 0 "[ . 1 . 2]" 1
516 1 32 ILE HA 1 47 ILE MD . . 3.750 2.589 2.238 3.010 . 0 0 "[ . 1 . 2]" 1
517 1 32 ILE HA 1 47 ILE QG . . 5.280 4.494 4.223 5.027 . 0 0 "[ . 1 . 2]" 1
518 1 32 ILE HA 1 48 PRO HD2 . . 5.380 4.390 4.069 4.618 . 0 0 "[ . 1 . 2]" 1
519 1 32 ILE HB 1 32 ILE MD . . 3.550 2.237 2.152 2.387 . 0 0 "[ . 1 . 2]" 1
520 1 32 ILE HB 1 56 PHE HZ . . 4.840 3.999 3.682 4.815 . 0 0 "[ . 1 . 2]" 1
521 1 32 ILE MD 1 32 ILE MG . . 3.260 2.261 1.951 2.449 . 0 0 "[ . 1 . 2]" 1
522 1 32 ILE MD 1 47 ILE MD . . 4.010 3.386 3.036 3.722 . 0 0 "[ . 1 . 2]" 1
523 1 32 ILE MD 1 56 PHE QD . . 4.770 3.824 3.324 4.266 . 0 0 "[ . 1 . 2]" 1
524 1 32 ILE MD 1 56 PHE QE . . 4.990 3.376 3.023 3.733 . 0 0 "[ . 1 . 2]" 1
525 1 32 ILE MD 1 56 PHE HZ . . 5.220 3.546 3.261 3.970 . 0 0 "[ . 1 . 2]" 1
526 1 32 ILE MD 1 61 VAL HB . . 4.470 3.057 2.662 3.702 . 0 0 "[ . 1 . 2]" 1
527 1 32 ILE MD 1 61 VAL MG1 . . 2.960 1.820 1.669 2.004 . 0 0 "[ . 1 . 2]" 1
528 1 32 ILE MD 1 61 VAL MG2 . . 3.450 3.346 3.198 3.452 0.002 18 0 "[ . 1 . 2]" 1
529 1 32 ILE QG 1 32 ILE MG . . 3.340 2.188 2.029 2.341 . 0 0 "[ . 1 . 2]" 1
530 1 32 ILE QG 1 47 ILE MD . . 3.330 2.135 1.922 2.586 . 0 0 "[ . 1 . 2]" 1
531 1 32 ILE HG12 1 47 ILE MD . . 4.160 2.178 1.940 2.647 . 0 0 "[ . 1 . 2]" 1
532 1 32 ILE HG13 1 47 ILE MD . . 4.160 3.137 2.757 3.630 . 0 0 "[ . 1 . 2]" 1
533 1 32 ILE MG 1 33 THR H . . 3.480 2.947 2.474 3.197 . 0 0 "[ . 1 . 2]" 1
534 1 32 ILE MG 1 34 LEU HA . . 4.470 3.346 3.093 3.644 . 0 0 "[ . 1 . 2]" 1
535 1 32 ILE MG 1 34 LEU HG . . 4.660 3.746 3.221 4.342 . 0 0 "[ . 1 . 2]" 1
536 1 32 ILE MG 1 45 GLY H . . 4.550 4.037 3.777 4.473 . 0 0 "[ . 1 . 2]" 1
537 1 32 ILE MG 1 45 GLY HA2 . . 4.340 3.686 3.388 4.091 . 0 0 "[ . 1 . 2]" 1
538 1 32 ILE MG 1 45 GLY HA3 . . 3.580 2.314 2.053 2.690 . 0 0 "[ . 1 . 2]" 1
539 1 32 ILE MG 1 46 ARG H . . 3.570 3.207 2.792 3.536 . 0 0 "[ . 1 . 2]" 1
540 1 32 ILE MG 1 56 PHE QD . . 4.640 3.937 3.739 4.170 . 0 0 "[ . 1 . 2]" 1
541 1 32 ILE MG 1 56 PHE QE . . 3.330 2.457 2.106 2.914 . 0 0 "[ . 1 . 2]" 1
542 1 32 ILE MG 1 56 PHE HZ . . 3.730 2.162 1.948 2.602 . 0 0 "[ . 1 . 2]" 1
543 1 33 THR H 1 33 THR HB . . 3.150 2.604 2.511 2.689 . 0 0 "[ . 1 . 2]" 1
544 1 33 THR H 1 33 THR MG . . 4.210 3.769 3.756 3.788 . 0 0 "[ . 1 . 2]" 1
545 1 33 THR H 1 34 LEU H . . 5.110 4.149 3.956 4.342 . 0 0 "[ . 1 . 2]" 1
546 1 33 THR H 1 46 ARG H . . 3.670 3.531 3.343 3.670 0.000 15 0 "[ . 1 . 2]" 1
547 1 33 THR H 1 46 ARG QG . . 4.540 3.789 3.578 4.012 . 0 0 "[ . 1 . 2]" 1
548 1 33 THR H 1 47 ILE HA . . 4.110 3.711 3.490 3.850 . 0 0 "[ . 1 . 2]" 1
549 1 33 THR H 1 47 ILE MD . . 4.960 3.763 3.265 4.398 . 0 0 "[ . 1 . 2]" 1
550 1 33 THR H 1 48 PRO HD2 . . 4.830 4.764 4.522 4.830 0.000 7 0 "[ . 1 . 2]" 1
551 1 33 THR H 1 48 PRO HD3 . . 3.980 3.508 3.255 3.753 . 0 0 "[ . 1 . 2]" 1
552 1 33 THR HA 1 33 THR MG . . 3.330 2.307 2.195 2.429 . 0 0 "[ . 1 . 2]" 1
553 1 33 THR HA 1 34 LEU H . . 3.000 2.256 2.166 2.376 . 0 0 "[ . 1 . 2]" 1
554 1 33 THR HB 1 35 LEU MD1 . . 4.950 4.274 3.890 4.610 . 0 0 "[ . 1 . 2]" 1
555 1 33 THR HB 1 35 LEU MD2 . . 4.560 3.638 3.335 4.231 . 0 0 "[ . 1 . 2]" 1
556 1 33 THR HB 1 35 LEU HG . . 4.780 3.855 3.428 4.163 . 0 0 "[ . 1 . 2]" 1
557 1 33 THR HB 1 46 ARG H . . 3.500 2.979 2.636 3.352 . 0 0 "[ . 1 . 2]" 1
558 1 33 THR HB 1 46 ARG QB . . 4.720 4.449 3.966 4.717 . 0 0 "[ . 1 . 2]" 1
559 1 33 THR HB 1 46 ARG QG . . 3.410 2.448 1.965 2.805 . 0 0 "[ . 1 . 2]" 1
560 1 33 THR MG 1 34 LEU H . . 3.680 3.369 2.993 3.587 . 0 0 "[ . 1 . 2]" 1
561 1 33 THR MG 1 35 LEU MD2 . . 3.460 2.645 2.053 3.121 . 0 0 "[ . 1 . 2]" 1
562 1 33 THR MG 1 35 LEU HG . . 4.130 3.507 2.953 3.876 . 0 0 "[ . 1 . 2]" 1
563 1 33 THR MG 1 46 ARG H . . 4.850 4.142 3.903 4.383 . 0 0 "[ . 1 . 2]" 1
564 1 33 THR MG 1 46 ARG QD . . 4.770 4.133 2.458 4.713 . 0 0 "[ . 1 . 2]" 1
565 1 34 LEU H 1 34 LEU HB2 . . 3.480 2.349 2.224 2.515 . 0 0 "[ . 1 . 2]" 1
566 1 34 LEU H 1 34 LEU HB3 . . 4.100 3.563 3.518 3.593 . 0 0 "[ . 1 . 2]" 1
567 1 34 LEU H 1 34 LEU MD1 . . 4.750 3.624 3.394 3.787 . 0 0 "[ . 1 . 2]" 1
568 1 34 LEU H 1 34 LEU MD2 . . 4.670 3.636 3.331 3.844 . 0 0 "[ . 1 . 2]" 1
569 1 34 LEU H 1 34 LEU HG . . 3.530 2.537 2.217 2.791 . 0 0 "[ . 1 . 2]" 1
570 1 34 LEU H 1 35 LEU H . . 5.490 4.507 4.297 4.612 . 0 0 "[ . 1 . 2]" 1
571 1 34 LEU HA 1 34 LEU MD2 . . 3.290 2.107 1.970 2.265 . 0 0 "[ . 1 . 2]" 1
572 1 34 LEU HA 1 35 LEU H . . 3.100 2.164 2.140 2.232 . 0 0 "[ . 1 . 2]" 1
573 1 34 LEU HA 1 35 LEU HG . . 4.930 3.872 3.559 4.558 . 0 0 "[ . 1 . 2]" 1
574 1 34 LEU HA 1 36 ARG H . . 4.520 3.994 3.780 4.282 . 0 0 "[ . 1 . 2]" 1
575 1 34 LEU HA 1 45 GLY HA2 . . 4.070 3.332 3.003 3.887 . 0 0 "[ . 1 . 2]" 1
576 1 34 LEU HA 1 45 GLY HA3 . . 4.210 2.916 2.626 3.435 . 0 0 "[ . 1 . 2]" 1
577 1 34 LEU HA 1 56 PHE HZ . . 4.960 3.871 3.583 4.182 . 0 0 "[ . 1 . 2]" 1
578 1 34 LEU HB2 1 34 LEU MD1 . . 3.630 2.260 2.061 2.383 . 0 0 "[ . 1 . 2]" 1
579 1 34 LEU HB2 1 35 LEU H . . 5.110 4.337 4.164 4.511 . 0 0 "[ . 1 . 2]" 1
580 1 34 LEU HB3 1 34 LEU MD1 . . 3.650 2.402 2.272 2.578 . 0 0 "[ . 1 . 2]" 1
581 1 34 LEU HB3 1 34 LEU MD2 . . 3.350 2.279 2.211 2.346 . 0 0 "[ . 1 . 2]" 1
582 1 34 LEU HB3 1 35 LEU H . . 4.330 3.370 2.980 3.826 . 0 0 "[ . 1 . 2]" 1
583 1 34 LEU MD1 1 43 TYR QE . . 4.480 4.261 4.030 4.475 . 0 0 "[ . 1 . 2]" 1
584 1 34 LEU MD1 1 63 VAL HA . . 4.850 3.623 2.792 4.302 . 0 0 "[ . 1 . 2]" 1
585 1 34 LEU MD1 1 63 VAL MG1 . . 3.640 3.094 2.135 3.639 . 0 0 "[ . 1 . 2]" 1
586 1 34 LEU MD1 1 63 VAL QG . . 3.180 2.283 1.802 2.920 . 0 0 "[ . 1 . 2]" 1
587 1 34 LEU MD1 1 63 VAL MG2 . . 3.640 2.479 1.807 3.286 . 0 0 "[ . 1 . 2]" 1
588 1 34 LEU MD2 1 35 LEU H . . 4.330 3.218 2.670 3.615 . 0 0 "[ . 1 . 2]" 1
589 1 34 LEU MD2 1 43 TYR HB2 . . 4.390 3.203 3.017 3.567 . 0 0 "[ . 1 . 2]" 1
590 1 34 LEU MD2 1 43 TYR HB3 . . 3.980 2.146 1.904 2.440 . 0 0 "[ . 1 . 2]" 1
591 1 34 LEU MD2 1 43 TYR QD . . 4.170 3.013 2.701 3.290 . 0 0 "[ . 1 . 2]" 1
592 1 34 LEU MD2 1 45 GLY HA3 . . 4.460 3.644 3.257 4.024 . 0 0 "[ . 1 . 2]" 1
593 1 34 LEU MD2 1 56 PHE QE . . 3.790 3.047 2.705 3.367 . 0 0 "[ . 1 . 2]" 1
594 1 34 LEU MD2 1 56 PHE HZ . . 3.200 2.648 2.081 3.170 . 0 0 "[ . 1 . 2]" 1
595 1 34 LEU MD2 1 61 VAL MG2 . . 4.240 3.537 3.031 4.037 . 0 0 "[ . 1 . 2]" 1
596 1 34 LEU MD2 1 63 VAL QG . . 4.650 3.511 2.949 3.986 . 0 0 "[ . 1 . 2]" 1
597 1 35 LEU H 1 35 LEU QB . . 3.380 2.507 2.225 2.694 . 0 0 "[ . 1 . 2]" 1
598 1 35 LEU H 1 35 LEU MD1 . . 4.510 3.667 3.271 3.974 . 0 0 "[ . 1 . 2]" 1
599 1 35 LEU H 1 35 LEU MD2 . . 4.400 3.919 3.695 4.243 . 0 0 "[ . 1 . 2]" 1
600 1 35 LEU H 1 35 LEU HG . . 3.950 2.787 2.434 3.148 . 0 0 "[ . 1 . 2]" 1
601 1 35 LEU H 1 36 ARG H . . 3.190 2.171 1.914 2.605 . 0 0 "[ . 1 . 2]" 1
602 1 35 LEU H 1 45 GLY HA2 . . 3.600 2.607 2.181 3.014 . 0 0 "[ . 1 . 2]" 1
603 1 35 LEU H 1 45 GLY HA3 . . 4.200 3.321 2.755 3.723 . 0 0 "[ . 1 . 2]" 1
604 1 35 LEU HA 1 35 LEU MD1 . . 4.480 3.924 3.842 3.957 . 0 0 "[ . 1 . 2]" 1
605 1 35 LEU HA 1 35 LEU MD2 . . 3.080 2.327 2.005 2.534 . 0 0 "[ . 1 . 2]" 1
606 1 35 LEU HA 1 35 LEU HG . . 4.220 2.959 2.779 3.114 . 0 0 "[ . 1 . 2]" 1
607 1 35 LEU QB 1 35 LEU MD1 . . 3.020 2.039 1.950 2.097 . 0 0 "[ . 1 . 2]" 1
608 1 35 LEU QB 1 35 LEU MD2 . . 3.190 2.153 2.031 2.285 . 0 0 "[ . 1 . 2]" 1
609 1 35 LEU QB 1 36 ARG H . . 3.230 2.453 2.101 2.652 . 0 0 "[ . 1 . 2]" 1
610 1 35 LEU QB 1 36 ARG HB3 . . 4.390 3.610 3.465 3.779 . 0 0 "[ . 1 . 2]" 1
611 1 35 LEU QB 1 44 GLU HB3 . . 4.780 3.301 2.763 4.086 . 0 0 "[ . 1 . 2]" 1
612 1 35 LEU QB 1 44 GLU QG . . 4.380 3.322 2.813 4.017 . 0 0 "[ . 1 . 2]" 1
613 1 35 LEU MD1 1 36 ARG H . . 4.740 4.206 3.750 4.458 . 0 0 "[ . 1 . 2]" 1
614 1 35 LEU MD1 1 36 ARG QG . . 4.670 4.143 3.839 4.672 0.002 14 0 "[ . 1 . 2]" 1
615 1 35 LEU MD1 1 44 GLU QG . . 3.670 3.111 2.717 3.669 . 0 0 "[ . 1 . 2]" 1
616 1 35 LEU MD1 1 45 GLY H . . 4.850 3.578 3.179 3.983 . 0 0 "[ . 1 . 2]" 1
617 1 35 LEU MD1 1 45 GLY HA2 . . 4.150 2.220 1.891 2.651 . 0 0 "[ . 1 . 2]" 1
618 1 35 LEU MD1 1 45 GLY HA3 . . 5.240 3.635 3.235 4.046 . 0 0 "[ . 1 . 2]" 1
619 1 35 LEU MD1 1 46 ARG H . . 4.510 2.693 2.217 3.039 . 0 0 "[ . 1 . 2]" 1
620 1 35 LEU MD1 1 46 ARG HB2 . . 4.050 3.777 3.532 3.982 . 0 0 "[ . 1 . 2]" 1
621 1 35 LEU MD1 1 46 ARG QB . . 3.510 2.264 1.966 2.524 . 0 0 "[ . 1 . 2]" 1
622 1 35 LEU MD1 1 46 ARG HB3 . . 4.050 2.283 1.976 2.552 . 0 0 "[ . 1 . 2]" 1
623 1 35 LEU MD1 1 46 ARG QD . . 3.940 2.851 1.964 3.935 . 0 0 "[ . 1 . 2]" 1
624 1 35 LEU MD1 1 46 ARG QG . . 3.420 2.712 2.099 3.418 . 0 0 "[ . 1 . 2]" 1
625 1 35 LEU MD1 1 53 GLN HE21 . . 4.210 2.944 1.938 4.043 . 0 0 "[ . 1 . 2]" 1
626 1 35 LEU MD1 1 53 GLN QE . . 3.700 2.738 1.870 3.657 . 0 0 "[ . 1 . 2]" 1
627 1 35 LEU MD1 1 53 GLN HE22 . . 4.210 3.476 2.324 4.201 . 0 0 "[ . 1 . 2]" 1
628 1 35 LEU MD1 1 53 GLN HG2 . . 4.530 3.772 2.661 4.519 . 0 0 "[ . 1 . 2]" 1
629 1 35 LEU MD1 1 53 GLN QG . . 3.680 2.880 2.289 3.663 . 0 0 "[ . 1 . 2]" 1
630 1 35 LEU MD1 1 53 GLN HG3 . . 4.530 3.140 2.446 4.531 0.001 17 0 "[ . 1 . 2]" 1
631 1 35 LEU MD2 1 45 GLY HA2 . . 4.710 3.848 3.699 4.166 . 0 0 "[ . 1 . 2]" 1
632 1 35 LEU MD2 1 46 ARG QD . . 4.020 3.016 2.050 4.015 . 0 0 "[ . 1 . 2]" 1
633 1 35 LEU HG 1 45 GLY HA2 . . 3.740 2.210 2.006 2.655 . 0 0 "[ . 1 . 2]" 1
634 1 35 LEU HG 1 45 GLY HA3 . . 4.380 3.631 3.419 3.870 . 0 0 "[ . 1 . 2]" 1
635 1 35 LEU HG 1 46 ARG H . . 4.080 2.972 2.775 3.233 . 0 0 "[ . 1 . 2]" 1
636 1 36 ARG H 1 36 ARG HG2 . . 4.460 2.728 2.503 2.882 . 0 0 "[ . 1 . 2]" 1
637 1 36 ARG H 1 36 ARG HG3 . . 4.460 3.656 3.211 4.178 . 0 0 "[ . 1 . 2]" 1
638 1 36 ARG H 1 43 TYR HB3 . . 5.500 5.316 5.002 5.500 0.000 6 0 "[ . 1 . 2]" 1
639 1 36 ARG H 1 44 GLU H . . 3.760 3.471 3.152 3.665 . 0 0 "[ . 1 . 2]" 1
640 1 36 ARG H 1 44 GLU HB2 . . 4.890 4.170 3.638 4.845 . 0 0 "[ . 1 . 2]" 1
641 1 36 ARG H 1 44 GLU HB3 . . 3.750 2.569 2.147 3.168 . 0 0 "[ . 1 . 2]" 1
642 1 36 ARG H 1 45 GLY HA3 . . 5.060 4.911 4.627 5.056 . 0 0 "[ . 1 . 2]" 1
643 1 36 ARG HA 1 37 GLN H . . 3.450 2.451 2.320 2.653 . 0 0 "[ . 1 . 2]" 1
644 1 36 ARG HB2 1 36 ARG QD . . 3.620 2.724 2.206 3.499 . 0 0 "[ . 1 . 2]" 1
645 1 36 ARG HB2 1 37 GLN H . . 3.750 2.389 2.024 2.667 . 0 0 "[ . 1 . 2]" 1
646 1 36 ARG HB3 1 36 ARG HD2 . . 4.000 2.821 2.186 3.799 . 0 0 "[ . 1 . 2]" 1
647 1 36 ARG HB3 1 36 ARG HD3 . . 4.000 3.177 2.156 3.669 . 0 0 "[ . 1 . 2]" 1
648 1 36 ARG HB3 1 37 GLN H . . 4.930 3.772 3.552 3.971 . 0 0 "[ . 1 . 2]" 1
649 1 36 ARG QD 1 38 VAL MG2 . . 4.920 3.817 3.075 4.551 . 0 0 "[ . 1 . 2]" 1
650 1 36 ARG QG 1 38 VAL MG2 . . 4.230 2.943 2.582 3.295 . 0 0 "[ . 1 . 2]" 1
651 1 36 ARG QG 1 44 GLU H . . 4.220 3.855 3.068 4.171 . 0 0 "[ . 1 . 2]" 1
652 1 36 ARG QG 1 44 GLU HB2 . . 4.240 2.881 2.504 3.310 . 0 0 "[ . 1 . 2]" 1
653 1 36 ARG QG 1 44 GLU HB3 . . 3.360 2.086 1.948 2.255 . 0 0 "[ . 1 . 2]" 1
654 1 36 ARG QG 1 44 GLU QG . . 4.590 3.217 2.699 3.768 . 0 0 "[ . 1 . 2]" 1
655 1 36 ARG HG2 1 38 VAL MG2 . . 5.080 3.977 3.094 4.664 . 0 0 "[ . 1 . 2]" 1
656 1 36 ARG HG2 1 44 GLU H . . 4.810 4.473 3.104 4.809 . 0 0 "[ . 1 . 2]" 1
657 1 36 ARG HG3 1 38 VAL MG2 . . 5.080 3.056 2.644 3.470 . 0 0 "[ . 1 . 2]" 1
658 1 36 ARG HG3 1 44 GLU H . . 4.810 4.314 3.761 4.809 . 0 0 "[ . 1 . 2]" 1
659 1 37 GLN H 1 37 GLN QB . . 3.620 2.422 2.317 2.563 . 0 0 "[ . 1 . 2]" 1
660 1 37 GLN HA 1 37 GLN HG3 . . 3.600 2.473 2.374 2.693 . 0 0 "[ . 1 . 2]" 1
661 1 37 GLN HA 1 38 VAL H . . 3.090 2.160 2.139 2.200 . 0 0 "[ . 1 . 2]" 1
662 1 37 GLN HA 1 38 VAL MG2 . . 4.460 3.797 3.611 3.988 . 0 0 "[ . 1 . 2]" 1
663 1 37 GLN HA 1 39 ASP H . . 4.740 4.334 4.155 4.576 . 0 0 "[ . 1 . 2]" 1
664 1 37 GLN HA 1 43 TYR HA . . 3.440 2.398 2.001 2.551 . 0 0 "[ . 1 . 2]" 1
665 1 37 GLN HA 1 43 TYR QD . . 3.800 2.443 2.225 2.753 . 0 0 "[ . 1 . 2]" 1
666 1 37 GLN HA 1 43 TYR QE . . 4.690 4.000 3.737 4.361 . 0 0 "[ . 1 . 2]" 1
667 1 37 GLN HA 1 44 GLU H . . 4.350 2.614 2.451 2.808 . 0 0 "[ . 1 . 2]" 1
668 1 37 GLN QB 1 43 TYR QD . . 4.450 2.559 2.057 2.851 . 0 0 "[ . 1 . 2]" 1
669 1 37 GLN QB 1 43 TYR QE . . 3.880 2.273 1.991 2.720 . 0 0 "[ . 1 . 2]" 1
670 1 37 GLN QE 1 40 GLU HA . . 3.340 2.749 2.073 3.167 . 0 0 "[ . 1 . 2]" 1
671 1 37 GLN QE 1 58 ILE MD . . 4.060 3.187 2.574 3.560 . 0 0 "[ . 1 . 2]" 1
672 1 37 GLN HE21 1 40 GLU HA . . 3.940 2.960 2.141 3.487 . 0 0 "[ . 1 . 2]" 1
673 1 37 GLN HE21 1 58 ILE MD . . 4.730 3.290 2.618 3.776 . 0 0 "[ . 1 . 2]" 1
674 1 37 GLN HE22 1 40 GLU HA . . 3.940 3.308 2.710 3.633 . 0 0 "[ . 1 . 2]" 1
675 1 37 GLN HE22 1 58 ILE MD . . 4.730 4.307 3.717 4.732 0.002 15 0 "[ . 1 . 2]" 1
676 1 37 GLN HG2 1 38 VAL H . . 4.320 3.684 3.328 4.092 . 0 0 "[ . 1 . 2]" 1
677 1 37 GLN HG2 1 39 ASP H . . 4.130 3.609 3.320 3.843 . 0 0 "[ . 1 . 2]" 1
678 1 37 GLN HG2 1 58 ILE MD . . 5.330 4.870 4.331 5.208 . 0 0 "[ . 1 . 2]" 1
679 1 37 GLN HG3 1 38 VAL H . . 4.120 3.624 3.376 3.914 . 0 0 "[ . 1 . 2]" 1
680 1 37 GLN HG3 1 39 ASP H . . 4.440 4.092 3.552 4.371 . 0 0 "[ . 1 . 2]" 1
681 1 37 GLN HG3 1 43 TYR QE . . 4.240 2.875 2.433 3.443 . 0 0 "[ . 1 . 2]" 1
682 1 37 GLN HG3 1 58 ILE MD . . 4.100 3.866 3.482 4.099 . 0 0 "[ . 1 . 2]" 1
683 1 38 VAL H 1 38 VAL HB . . 3.400 2.531 2.455 2.602 . 0 0 "[ . 1 . 2]" 1
684 1 38 VAL H 1 38 VAL MG2 . . 3.420 2.196 2.085 2.308 . 0 0 "[ . 1 . 2]" 1
685 1 38 VAL H 1 39 ASP H . . 3.300 2.868 2.699 2.977 . 0 0 "[ . 1 . 2]" 1
686 1 38 VAL H 1 42 TRP HB3 . . 4.810 4.710 4.413 4.810 0.000 16 0 "[ . 1 . 2]" 1
687 1 38 VAL H 1 43 TYR HA . . 3.440 3.048 2.825 3.286 . 0 0 "[ . 1 . 2]" 1
688 1 38 VAL H 1 43 TYR QD . . 5.170 4.261 3.983 4.576 . 0 0 "[ . 1 . 2]" 1
689 1 38 VAL H 1 44 GLU H . . 4.890 3.169 2.785 3.580 . 0 0 "[ . 1 . 2]" 1
690 1 38 VAL HA 1 38 VAL MG1 . . 3.340 2.347 2.227 2.465 . 0 0 "[ . 1 . 2]" 1
691 1 38 VAL HA 1 38 VAL MG2 . . 3.260 2.363 2.276 2.443 . 0 0 "[ . 1 . 2]" 1
692 1 38 VAL HB 1 39 ASP H . . 3.530 2.116 1.942 2.255 . 0 0 "[ . 1 . 2]" 1
693 1 38 VAL HB 1 42 TRP H . . 5.500 5.053 4.874 5.237 . 0 0 "[ . 1 . 2]" 1
694 1 38 VAL HB 1 42 TRP HB2 . . 3.680 3.081 2.742 3.317 . 0 0 "[ . 1 . 2]" 1
695 1 38 VAL HB 1 42 TRP HB3 . . 3.660 3.277 3.039 3.531 . 0 0 "[ . 1 . 2]" 1
696 1 38 VAL MG1 1 39 ASP H . . 4.290 2.983 2.781 3.199 . 0 0 "[ . 1 . 2]" 1
697 1 38 VAL MG1 1 39 ASP HB2 . . 4.600 3.408 2.530 4.222 . 0 0 "[ . 1 . 2]" 1
698 1 38 VAL MG1 1 39 ASP QB . . 3.870 3.226 2.499 3.853 . 0 0 "[ . 1 . 2]" 1
699 1 38 VAL MG1 1 39 ASP HB3 . . 4.600 4.254 3.889 4.581 . 0 0 "[ . 1 . 2]" 1
700 1 38 VAL MG1 1 42 TRP HB2 . . 4.050 3.710 3.390 3.919 . 0 0 "[ . 1 . 2]" 1
701 1 38 VAL MG1 1 42 TRP HB3 . . 4.990 4.145 3.895 4.390 . 0 0 "[ . 1 . 2]" 1
702 1 38 VAL MG1 1 55 ILE MD . . 4.670 3.585 3.170 4.112 . 0 0 "[ . 1 . 2]" 1
703 1 38 VAL MG2 1 39 ASP H . . 4.490 3.651 3.531 3.746 . 0 0 "[ . 1 . 2]" 1
704 1 38 VAL MG2 1 42 TRP HB2 . . 5.230 4.478 4.170 4.730 . 0 0 "[ . 1 . 2]" 1
705 1 38 VAL MG2 1 42 TRP HB3 . . 5.440 4.112 3.827 4.413 . 0 0 "[ . 1 . 2]" 1
706 1 38 VAL MG2 1 43 TYR HA . . 4.810 4.223 3.878 4.612 . 0 0 "[ . 1 . 2]" 1
707 1 38 VAL MG2 1 44 GLU H . . 3.980 3.602 3.231 3.951 . 0 0 "[ . 1 . 2]" 1
708 1 38 VAL MG2 1 44 GLU HA . . 4.000 3.589 3.218 3.964 . 0 0 "[ . 1 . 2]" 1
709 1 38 VAL MG2 1 44 GLU HB2 . . 3.520 1.958 1.800 2.136 . 0 0 "[ . 1 . 2]" 1
710 1 38 VAL MG2 1 44 GLU HB3 . . 3.950 3.226 2.604 3.513 . 0 0 "[ . 1 . 2]" 1
711 1 38 VAL MG2 1 44 GLU QG . . 4.340 3.006 2.273 3.636 . 0 0 "[ . 1 . 2]" 1
712 1 38 VAL MG2 1 55 ILE MD . . 4.240 3.987 3.717 4.241 0.001 9 0 "[ . 1 . 2]" 1
713 1 39 ASP H 1 40 GLU H . . 5.010 4.461 4.400 4.524 . 0 0 "[ . 1 . 2]" 1
714 1 39 ASP H 1 41 ASN H . . 5.420 4.386 4.184 4.581 . 0 0 "[ . 1 . 2]" 1
715 1 39 ASP H 1 42 TRP H . . 4.200 3.402 3.289 3.580 . 0 0 "[ . 1 . 2]" 1
716 1 39 ASP H 1 42 TRP HB2 . . 4.580 2.389 2.041 2.594 . 0 0 "[ . 1 . 2]" 1
717 1 39 ASP QB 1 40 GLU H . . 4.340 2.523 1.954 3.130 . 0 0 "[ . 1 . 2]" 1
718 1 39 ASP QB 1 41 ASN H . . 3.110 2.361 2.252 2.496 . 0 0 "[ . 1 . 2]" 1
719 1 40 GLU H 1 40 GLU QB . . 3.350 2.338 2.148 2.601 . 0 0 "[ . 1 . 2]" 1
720 1 40 GLU H 1 40 GLU QG . . 4.250 3.193 1.883 4.067 . 0 0 "[ . 1 . 2]" 1
721 1 40 GLU HA 1 40 GLU QG . . 3.770 2.721 2.266 3.446 . 0 0 "[ . 1 . 2]" 1
722 1 40 GLU HA 1 58 ILE MD . . 4.950 4.939 4.900 4.953 0.003 16 0 "[ . 1 . 2]" 1
723 1 40 GLU QB 1 41 ASN HD21 . . 5.050 3.613 2.359 5.048 . 0 0 "[ . 1 . 2]" 1
724 1 40 GLU QB 1 41 ASN QD . . 4.450 3.270 2.290 4.355 . 0 0 "[ . 1 . 2]" 1
725 1 40 GLU QB 1 41 ASN HD22 . . 5.050 3.937 2.759 4.759 . 0 0 "[ . 1 . 2]" 1
726 1 40 GLU QG 1 41 ASN H . . 4.830 3.754 2.305 4.685 . 0 0 "[ . 1 . 2]" 1
727 1 40 GLU QG 1 41 ASN HD21 . . 5.160 3.810 1.892 5.160 . 0 0 "[ . 1 . 2]" 1
728 1 40 GLU QG 1 41 ASN QD . . 4.430 3.375 1.884 4.397 . 0 0 "[ . 1 . 2]" 1
729 1 40 GLU QG 1 41 ASN HD22 . . 5.160 3.986 2.995 5.160 . 0 0 "[ . 1 . 2]" 1
730 1 41 ASN H 1 41 ASN QB . . 3.300 2.544 2.421 2.788 . 0 0 "[ . 1 . 2]" 1
731 1 41 ASN H 1 41 ASN QD . . 4.710 3.573 2.841 4.306 . 0 0 "[ . 1 . 2]" 1
732 1 41 ASN H 1 42 TRP H . . 2.990 2.496 2.190 2.619 . 0 0 "[ . 1 . 2]" 1
733 1 41 ASN H 1 42 TRP HD1 . . 4.250 2.762 2.536 2.934 . 0 0 "[ . 1 . 2]" 1
734 1 41 ASN H 1 58 ILE MD . . 4.910 4.101 3.960 4.335 . 0 0 "[ . 1 . 2]" 1
735 1 41 ASN HA 1 58 ILE MD . . 4.100 2.574 2.304 2.961 . 0 0 "[ . 1 . 2]" 1
736 1 41 ASN HA 1 58 ILE MG . . 4.450 4.320 4.021 4.450 . 0 0 "[ . 1 . 2]" 1
737 1 41 ASN QB 1 41 ASN QD . . 3.090 2.293 2.064 2.638 . 0 0 "[ . 1 . 2]" 1
738 1 41 ASN QB 1 42 TRP H . . 3.850 3.801 3.708 3.846 . 0 0 "[ . 1 . 2]" 1
739 1 41 ASN QB 1 42 TRP HD1 . . 3.290 2.633 2.391 2.794 . 0 0 "[ . 1 . 2]" 1
740 1 41 ASN QB 1 42 TRP HE1 . . 4.050 3.332 3.219 3.503 . 0 0 "[ . 1 . 2]" 1
741 1 41 ASN HB2 1 42 TRP H . . 4.610 4.173 3.938 4.282 . 0 0 "[ . 1 . 2]" 1
742 1 41 ASN HB2 1 42 TRP HD1 . . 4.150 2.742 2.412 2.921 . 0 0 "[ . 1 . 2]" 1
743 1 41 ASN HB2 1 42 TRP HE1 . . 4.840 3.648 3.294 3.984 . 0 0 "[ . 1 . 2]" 1
744 1 41 ASN HB3 1 42 TRP H . . 4.610 4.384 4.310 4.534 . 0 0 "[ . 1 . 2]" 1
745 1 41 ASN HB3 1 42 TRP HD1 . . 4.150 3.501 3.153 3.962 . 0 0 "[ . 1 . 2]" 1
746 1 41 ASN HB3 1 42 TRP HE1 . . 4.840 3.942 3.618 4.591 . 0 0 "[ . 1 . 2]" 1
747 1 42 TRP H 1 42 TRP HB2 . . 3.420 2.888 2.763 2.966 . 0 0 "[ . 1 . 2]" 1
748 1 42 TRP H 1 42 TRP HB3 . . 4.150 3.908 3.837 3.957 . 0 0 "[ . 1 . 2]" 1
749 1 42 TRP H 1 42 TRP HD1 . . 3.880 3.424 3.277 3.662 . 0 0 "[ . 1 . 2]" 1
750 1 42 TRP H 1 58 ILE MD . . 4.800 2.332 2.184 2.570 . 0 0 "[ . 1 . 2]" 1
751 1 42 TRP HA 1 43 TYR H . . 2.970 2.141 2.140 2.149 . 0 0 "[ . 1 . 2]" 1
752 1 42 TRP HA 1 57 PRO HA . . 3.480 2.541 2.249 2.961 . 0 0 "[ . 1 . 2]" 1
753 1 42 TRP HA 1 58 ILE H . . 3.890 3.830 3.667 3.892 0.002 16 0 "[ . 1 . 2]" 1
754 1 42 TRP HA 1 58 ILE HG12 . . 4.740 3.886 3.566 4.167 . 0 0 "[ . 1 . 2]" 1
755 1 42 TRP HB2 1 43 TYR H . . 4.380 4.380 4.353 4.400 0.020 20 0 "[ . 1 . 2]" 1
756 1 42 TRP HB2 1 55 ILE MD . . 5.020 4.727 3.995 4.916 . 0 0 "[ . 1 . 2]" 1
757 1 42 TRP HB2 1 55 ILE MG . . 5.100 4.593 4.347 4.800 . 0 0 "[ . 1 . 2]" 1
758 1 42 TRP HB3 1 42 TRP HE3 . . 4.140 2.474 2.437 2.544 . 0 0 "[ . 1 . 2]" 1
759 1 42 TRP HB3 1 43 TYR H . . 3.880 3.536 3.454 3.657 . 0 0 "[ . 1 . 2]" 1
760 1 42 TRP HB3 1 55 ILE HB . . 4.040 2.968 2.661 3.118 . 0 0 "[ . 1 . 2]" 1
761 1 42 TRP HB3 1 55 ILE MD . . 4.190 3.915 3.147 4.118 . 0 0 "[ . 1 . 2]" 1
762 1 42 TRP HB3 1 55 ILE MG . . 5.260 3.767 3.544 3.931 . 0 0 "[ . 1 . 2]" 1
763 1 42 TRP HB3 1 56 PHE H . . 4.520 3.057 2.924 3.260 . 0 0 "[ . 1 . 2]" 1
764 1 42 TRP HE3 1 43 TYR H . . 4.610 4.407 4.009 4.600 . 0 0 "[ . 1 . 2]" 1
765 1 42 TRP HE3 1 55 ILE HB . . 3.920 2.442 2.000 2.762 . 0 0 "[ . 1 . 2]" 1
766 1 42 TRP HE3 1 55 ILE MD . . 4.110 3.253 2.900 3.616 . 0 0 "[ . 1 . 2]" 1
767 1 42 TRP HE3 1 55 ILE QG . . 4.440 3.305 2.965 3.615 . 0 0 "[ . 1 . 2]" 1
768 1 42 TRP HE3 1 55 ILE MG . . 4.670 4.059 3.659 4.348 . 0 0 "[ . 1 . 2]" 1
769 1 42 TRP HE3 1 56 PHE H . . 4.300 2.230 1.972 2.408 . 0 0 "[ . 1 . 2]" 1
770 1 42 TRP HE3 1 56 PHE HA . . 4.170 2.656 2.491 3.016 . 0 0 "[ . 1 . 2]" 1
771 1 42 TRP HE3 1 57 PRO HA . . 4.700 3.909 3.647 4.244 . 0 0 "[ . 1 . 2]" 1
772 1 42 TRP HE3 1 57 PRO HD3 . . 4.300 3.684 3.464 4.253 . 0 0 "[ . 1 . 2]" 1
773 1 42 TRP HH2 1 57 PRO HD3 . . 4.740 3.249 2.983 3.576 . 0 0 "[ . 1 . 2]" 1
774 1 42 TRP HH2 1 57 PRO HG3 . . 4.990 4.421 4.060 4.745 . 0 0 "[ . 1 . 2]" 1
775 1 42 TRP HZ3 1 55 ILE HG12 . . 5.020 4.871 4.357 5.020 0.000 12 0 "[ . 1 . 2]" 1
776 1 42 TRP HZ3 1 55 ILE QG . . 4.340 3.101 2.632 3.339 . 0 0 "[ . 1 . 2]" 1
777 1 42 TRP HZ3 1 55 ILE HG13 . . 5.020 3.137 2.654 3.390 . 0 0 "[ . 1 . 2]" 1
778 1 42 TRP HZ3 1 56 PHE H . . 5.160 3.971 3.537 4.162 . 0 0 "[ . 1 . 2]" 1
779 1 42 TRP HZ3 1 56 PHE HA . . 3.920 2.256 2.001 2.528 . 0 0 "[ . 1 . 2]" 1
780 1 42 TRP HZ3 1 57 PRO HD2 . . 5.090 3.852 3.417 4.247 . 0 0 "[ . 1 . 2]" 1
781 1 42 TRP HZ3 1 57 PRO HD3 . . 4.060 2.568 2.042 3.095 . 0 0 "[ . 1 . 2]" 1
782 1 43 TYR H 1 43 TYR HB2 . . 3.480 2.324 2.278 2.390 . 0 0 "[ . 1 . 2]" 1
783 1 43 TYR H 1 43 TYR HB3 . . 4.150 3.570 3.525 3.621 . 0 0 "[ . 1 . 2]" 1
784 1 43 TYR H 1 43 TYR QD . . 4.680 3.547 3.378 3.700 . 0 0 "[ . 1 . 2]" 1
785 1 43 TYR H 1 57 PRO HA . . 4.510 3.896 3.579 4.336 . 0 0 "[ . 1 . 2]" 1
786 1 43 TYR H 1 58 ILE H . . 4.790 4.691 4.534 4.795 0.005 4 0 "[ . 1 . 2]" 1
787 1 43 TYR H 1 58 ILE MG . . 4.780 4.777 4.755 4.786 0.006 20 0 "[ . 1 . 2]" 1
788 1 43 TYR HA 1 43 TYR QD . . 3.530 2.216 2.030 2.434 . 0 0 "[ . 1 . 2]" 1
789 1 43 TYR HA 1 44 GLU H . . 3.140 2.230 2.153 2.325 . 0 0 "[ . 1 . 2]" 1
790 1 43 TYR HB2 1 44 GLU H . . 4.330 4.159 3.976 4.320 . 0 0 "[ . 1 . 2]" 1
791 1 43 TYR HB2 1 56 PHE HZ . . 4.620 3.846 3.503 4.000 . 0 0 "[ . 1 . 2]" 1
792 1 43 TYR HB3 1 44 GLU H . . 3.630 2.977 2.670 3.299 . 0 0 "[ . 1 . 2]" 1
793 1 43 TYR HB3 1 56 PHE QE . . 4.690 2.647 2.307 2.912 . 0 0 "[ . 1 . 2]" 1
794 1 43 TYR HB3 1 56 PHE HZ . . 4.500 3.272 2.953 3.656 . 0 0 "[ . 1 . 2]" 1
795 1 43 TYR QD 1 44 GLU H . . 4.360 3.090 2.881 3.425 . 0 0 "[ . 1 . 2]" 1
796 1 43 TYR QD 1 58 ILE HA . . 3.890 2.881 2.635 3.030 . 0 0 "[ . 1 . 2]" 1
797 1 43 TYR QD 1 58 ILE HB . . 4.980 4.822 4.604 4.931 . 0 0 "[ . 1 . 2]" 1
798 1 43 TYR QD 1 58 ILE MG . . 4.430 2.180 1.979 2.341 . 0 0 "[ . 1 . 2]" 1
799 1 43 TYR QD 1 61 VAL MG2 . . 4.200 2.907 2.538 3.097 . 0 0 "[ . 1 . 2]" 1
800 1 43 TYR QD 1 63 VAL QG . . 4.890 3.539 2.905 4.497 . 0 0 "[ . 1 . 2]" 1
801 1 43 TYR QE 1 58 ILE HA . . 4.400 4.242 4.048 4.389 . 0 0 "[ . 1 . 2]" 1
802 1 43 TYR QE 1 58 ILE HB . . 4.820 4.734 4.459 4.822 0.002 12 0 "[ . 1 . 2]" 1
803 1 43 TYR QE 1 58 ILE MD . . 4.140 2.708 2.204 3.085 . 0 0 "[ . 1 . 2]" 1
804 1 43 TYR QE 1 58 ILE HG12 . . 5.160 5.055 4.932 5.161 0.001 11 0 "[ . 1 . 2]" 1
805 1 43 TYR QE 1 58 ILE HG13 . . 3.930 3.856 3.603 3.933 0.003 7 0 "[ . 1 . 2]" 1
806 1 43 TYR QE 1 58 ILE MG . . 3.940 2.034 1.831 2.145 . 0 0 "[ . 1 . 2]" 1
807 1 43 TYR QE 1 61 VAL MG2 . . 4.900 4.330 3.938 4.695 . 0 0 "[ . 1 . 2]" 1
808 1 43 TYR QE 1 63 VAL QG . . 3.480 2.687 2.244 3.474 . 0 0 "[ . 1 . 2]" 1
809 1 44 GLU H 1 44 GLU HB2 . . 3.880 2.712 2.451 3.026 . 0 0 "[ . 1 . 2]" 1
810 1 44 GLU H 1 44 GLU HB3 . . 3.670 2.685 2.368 2.853 . 0 0 "[ . 1 . 2]" 1
811 1 44 GLU H 1 44 GLU QG . . 4.630 4.041 3.906 4.154 . 0 0 "[ . 1 . 2]" 1
812 1 44 GLU HA 1 44 GLU QG . . 3.870 2.396 2.209 3.059 . 0 0 "[ . 1 . 2]" 1
813 1 44 GLU HA 1 45 GLY H . . 3.090 2.255 2.159 2.345 . 0 0 "[ . 1 . 2]" 1
814 1 44 GLU HA 1 55 ILE HA . . 3.150 2.778 2.480 2.894 . 0 0 "[ . 1 . 2]" 1
815 1 44 GLU HA 1 55 ILE MG . . 3.530 3.505 3.357 3.533 0.003 9 0 "[ . 1 . 2]" 1
816 1 44 GLU HA 1 56 PHE QD . . 5.000 4.276 3.953 4.666 . 0 0 "[ . 1 . 2]" 1
817 1 44 GLU HB2 1 45 GLY H . . 4.680 4.115 3.895 4.378 . 0 0 "[ . 1 . 2]" 1
818 1 44 GLU HB2 1 55 ILE MG . . 3.550 3.261 2.476 3.550 0.000 7 0 "[ . 1 . 2]" 1
819 1 44 GLU QG 1 45 GLY H . . 3.490 2.300 1.881 2.878 . 0 0 "[ . 1 . 2]" 1
820 1 44 GLU QG 1 53 GLN QE . . 5.010 3.530 1.963 4.681 . 0 0 "[ . 1 . 2]" 1
821 1 44 GLU QG 1 54 GLY QA . . 5.340 3.920 3.416 4.862 . 0 0 "[ . 1 . 2]" 1
822 1 44 GLU QG 1 55 ILE HA . . 4.450 3.391 3.063 4.409 . 0 0 "[ . 1 . 2]" 1
823 1 44 GLU QG 1 55 ILE MG . . 3.500 2.863 2.419 3.479 . 0 0 "[ . 1 . 2]" 1
824 1 45 GLY H 1 54 GLY H . . 3.720 3.390 2.951 3.659 . 0 0 "[ . 1 . 2]" 1
825 1 45 GLY H 1 55 ILE HA . . 4.160 4.105 3.947 4.163 0.003 13 0 "[ . 1 . 2]" 1
826 1 45 GLY H 1 55 ILE MG . . 4.930 4.832 4.693 4.929 . 0 0 "[ . 1 . 2]" 1
827 1 45 GLY H 1 56 PHE QD . . 4.970 4.361 3.871 4.540 . 0 0 "[ . 1 . 2]" 1
828 1 45 GLY H 1 56 PHE QE . . 3.840 2.768 2.344 3.016 . 0 0 "[ . 1 . 2]" 1
829 1 45 GLY HA2 1 46 ARG H . . 3.430 2.459 2.366 2.587 . 0 0 "[ . 1 . 2]" 1
830 1 45 GLY HA2 1 56 PHE QE . . 4.550 4.341 4.228 4.549 . 0 0 "[ . 1 . 2]" 1
831 1 45 GLY HA3 1 56 PHE QE . . 3.740 3.080 2.910 3.318 . 0 0 "[ . 1 . 2]" 1
832 1 45 GLY HA3 1 56 PHE HZ . . 4.680 3.029 2.793 3.372 . 0 0 "[ . 1 . 2]" 1
833 1 46 ARG H 1 46 ARG QB . . 3.630 2.885 2.806 2.963 . 0 0 "[ . 1 . 2]" 1
834 1 46 ARG H 1 46 ARG QG . . 3.680 2.318 2.073 2.817 . 0 0 "[ . 1 . 2]" 1
835 1 46 ARG H 1 47 ILE H . . 5.080 4.449 4.413 4.483 . 0 0 "[ . 1 . 2]" 1
836 1 46 ARG H 1 56 PHE QE . . 5.100 4.948 4.777 5.051 . 0 0 "[ . 1 . 2]" 1
837 1 46 ARG HA 1 47 ILE H . . 3.040 2.513 2.384 2.631 . 0 0 "[ . 1 . 2]" 1
838 1 46 ARG HA 1 53 GLN QB . . 4.530 3.814 2.427 4.460 . 0 0 "[ . 1 . 2]" 1
839 1 46 ARG HA 1 53 GLN QG . . 4.460 3.578 2.364 4.463 0.003 9 0 "[ . 1 . 2]" 1
840 1 46 ARG QB 1 47 ILE H . . 3.360 2.270 2.066 2.504 . 0 0 "[ . 1 . 2]" 1
841 1 46 ARG QB 1 53 GLN HA . . 4.180 3.397 2.960 3.903 . 0 0 "[ . 1 . 2]" 1
842 1 46 ARG QB 1 53 GLN QB . . 3.880 3.038 1.801 3.885 0.005 8 0 "[ . 1 . 2]" 1
843 1 46 ARG QB 1 53 GLN QG . . 3.740 2.857 1.887 3.742 0.002 15 0 "[ . 1 . 2]" 1
844 1 46 ARG HB2 1 46 ARG QD . . 3.900 2.506 2.099 3.408 . 0 0 "[ . 1 . 2]" 1
845 1 46 ARG HB2 1 47 ILE H . . 3.950 2.290 2.079 2.534 . 0 0 "[ . 1 . 2]" 1
846 1 46 ARG HB2 1 53 GLN HA . . 5.040 3.920 3.436 4.466 . 0 0 "[ . 1 . 2]" 1
847 1 46 ARG HB3 1 46 ARG QD . . 3.900 2.486 2.120 3.000 . 0 0 "[ . 1 . 2]" 1
848 1 46 ARG HB3 1 47 ILE H . . 3.950 3.741 3.600 3.896 . 0 0 "[ . 1 . 2]" 1
849 1 46 ARG HB3 1 53 GLN HA . . 5.040 3.738 3.230 4.341 . 0 0 "[ . 1 . 2]" 1
850 1 46 ARG QG 1 47 ILE H . . 4.180 3.098 2.678 3.355 . 0 0 "[ . 1 . 2]" 1
851 1 46 ARG QG 1 48 PRO HD2 . . 5.380 5.304 5.080 5.385 0.005 13 0 "[ . 1 . 2]" 1
852 1 46 ARG QG 1 48 PRO HD3 . . 4.780 4.302 4.117 4.507 . 0 0 "[ . 1 . 2]" 1
853 1 47 ILE H 1 47 ILE HB . . 3.360 2.604 2.504 2.695 . 0 0 "[ . 1 . 2]" 1
854 1 47 ILE H 1 47 ILE MD . . 4.380 3.631 3.028 3.998 . 0 0 "[ . 1 . 2]" 1
855 1 47 ILE H 1 47 ILE HG12 . . 4.270 2.804 2.561 3.010 . 0 0 "[ . 1 . 2]" 1
856 1 47 ILE H 1 47 ILE QG . . 3.540 2.759 2.523 2.948 . 0 0 "[ . 1 . 2]" 1
857 1 47 ILE H 1 47 ILE HG13 . . 4.270 4.108 3.802 4.238 . 0 0 "[ . 1 . 2]" 1
858 1 47 ILE H 1 47 ILE MG . . 4.420 3.828 3.788 3.875 . 0 0 "[ . 1 . 2]" 1
859 1 47 ILE H 1 48 PRO HD3 . . 4.900 4.835 4.743 4.902 0.002 10 0 "[ . 1 . 2]" 1
860 1 47 ILE H 1 50 THR HG1 . . 4.180 3.794 3.448 4.103 . 0 0 "[ . 1 . 2]" 1
861 1 47 ILE H 1 52 ARG H . . 4.250 3.163 2.522 4.236 . 0 0 "[ . 1 . 2]" 1
862 1 47 ILE H 1 52 ARG HB2 . . 4.280 3.663 2.532 4.280 0.000 10 0 "[ . 1 . 2]" 1
863 1 47 ILE HA 1 47 ILE MD . . 3.490 2.005 1.928 2.204 . 0 0 "[ . 1 . 2]" 1
864 1 47 ILE HA 1 47 ILE MG . . 3.400 2.459 2.388 2.475 . 0 0 "[ . 1 . 2]" 1
865 1 47 ILE HA 1 48 PRO HD2 . . 3.100 2.170 2.141 2.179 . 0 0 "[ . 1 . 2]" 1
866 1 47 ILE HA 1 48 PRO HD3 . . 3.060 2.253 2.252 2.254 . 0 0 "[ . 1 . 2]" 1
867 1 47 ILE HB 1 50 THR H . . 4.960 3.621 2.856 4.014 . 0 0 "[ . 1 . 2]" 1
868 1 47 ILE HB 1 50 THR HG1 . . 3.660 2.059 1.997 2.394 . 0 0 "[ . 1 . 2]" 1
869 1 47 ILE HB 1 50 THR MG . . 5.080 4.081 3.397 4.565 . 0 0 "[ . 1 . 2]" 1
870 1 47 ILE HB 1 51 SER HA . . 5.360 5.040 4.537 5.363 0.003 16 0 "[ . 1 . 2]" 1
871 1 47 ILE HB 1 52 ARG H . . 4.370 3.074 2.356 3.562 . 0 0 "[ . 1 . 2]" 1
872 1 47 ILE HB 1 52 ARG HB2 . . 3.610 2.902 2.249 3.401 . 0 0 "[ . 1 . 2]" 1
873 1 47 ILE HB 1 52 ARG QD . . 4.470 3.782 2.981 4.164 . 0 0 "[ . 1 . 2]" 1
874 1 47 ILE MD 1 47 ILE MG . . 3.060 1.966 1.855 2.242 . 0 0 "[ . 1 . 2]" 1
875 1 47 ILE MD 1 48 PRO HD2 . . 4.500 2.633 2.462 2.878 . 0 0 "[ . 1 . 2]" 1
876 1 47 ILE MD 1 48 PRO HD3 . . 4.860 3.324 3.229 3.602 . 0 0 "[ . 1 . 2]" 1
877 1 47 ILE QG 1 47 ILE MG . . 3.270 2.345 2.200 2.464 . 0 0 "[ . 1 . 2]" 1
878 1 47 ILE QG 1 48 PRO HD3 . . 5.340 4.844 4.768 4.929 . 0 0 "[ . 1 . 2]" 1
879 1 47 ILE QG 1 52 ARG HB2 . . 4.010 2.943 1.982 3.478 . 0 0 "[ . 1 . 2]" 1
880 1 47 ILE MG 1 48 PRO HD2 . . 3.560 1.824 1.809 1.873 . 0 0 "[ . 1 . 2]" 1
881 1 47 ILE MG 1 48 PRO HD3 . . 4.000 3.157 3.140 3.223 . 0 0 "[ . 1 . 2]" 1
882 1 47 ILE MG 1 50 THR H . . 4.360 2.929 2.017 3.311 . 0 0 "[ . 1 . 2]" 1
883 1 47 ILE MG 1 50 THR HG1 . . 4.230 2.776 2.202 3.229 . 0 0 "[ . 1 . 2]" 1
884 1 47 ILE MG 1 52 ARG HB2 . . 4.410 4.167 3.786 4.414 0.004 2 0 "[ . 1 . 2]" 1
885 1 47 ILE MG 1 52 ARG QD . . 4.240 4.027 3.136 4.251 0.011 17 0 "[ . 1 . 2]" 1
886 1 48 PRO HA 1 50 THR H . . 4.160 3.949 3.592 4.186 0.026 8 0 "[ . 1 . 2]" 1
887 1 49 GLY QA 1 50 THR MG . . 4.210 3.459 3.012 3.970 . 0 0 "[ . 1 . 2]" 1
888 1 50 THR H 1 50 THR HG1 . . 3.350 2.461 1.925 3.024 . 0 0 "[ . 1 . 2]" 1
889 1 50 THR H 1 50 THR MG . . 3.480 2.804 2.259 3.218 . 0 0 "[ . 1 . 2]" 1
890 1 50 THR H 1 52 ARG H . . 4.970 4.312 3.834 4.915 . 0 0 "[ . 1 . 2]" 1
891 1 50 THR HA 1 50 THR MG . . 3.560 2.300 2.027 2.456 . 0 0 "[ . 1 . 2]" 1
892 1 50 THR HB 1 52 ARG H . . 3.790 3.300 2.543 3.702 . 0 0 "[ . 1 . 2]" 1
893 1 50 THR HB 1 52 ARG QD . . 4.680 2.327 1.891 3.181 . 0 0 "[ . 1 . 2]" 1
894 1 50 THR HB 1 52 ARG QG . . 4.560 2.711 2.030 4.095 . 0 0 "[ . 1 . 2]" 1
895 1 50 THR HG1 1 52 ARG H . . 3.600 2.468 1.977 3.166 . 0 0 "[ . 1 . 2]" 1
896 1 50 THR MG 1 52 ARG H . . 4.630 4.492 4.036 4.635 0.005 8 0 "[ . 1 . 2]" 1
897 1 50 THR MG 1 52 ARG HD2 . . 4.340 3.236 2.748 4.342 0.002 18 0 "[ . 1 . 2]" 1
898 1 50 THR MG 1 52 ARG QD . . 3.710 2.870 2.637 3.112 . 0 0 "[ . 1 . 2]" 1
899 1 50 THR MG 1 52 ARG HD3 . . 4.340 3.638 2.671 4.333 . 0 0 "[ . 1 . 2]" 1
900 1 52 ARG H 1 52 ARG HB2 . . 3.200 2.406 2.215 2.719 . 0 0 "[ . 1 . 2]" 1
901 1 52 ARG H 1 52 ARG HB3 . . 3.910 3.597 3.504 3.721 . 0 0 "[ . 1 . 2]" 1
902 1 52 ARG H 1 52 ARG HD2 . . 4.750 3.959 2.530 4.717 . 0 0 "[ . 1 . 2]" 1
903 1 52 ARG H 1 52 ARG QD . . 4.160 3.440 1.981 3.785 . 0 0 "[ . 1 . 2]" 1
904 1 52 ARG H 1 52 ARG HD3 . . 4.750 4.001 1.991 4.621 . 0 0 "[ . 1 . 2]" 1
905 1 52 ARG H 1 52 ARG QG . . 3.240 2.769 1.889 3.251 0.011 10 0 "[ . 1 . 2]" 1
906 1 52 ARG H 1 53 GLN H . . 4.820 4.369 3.811 4.611 . 0 0 "[ . 1 . 2]" 1
907 1 52 ARG HA 1 52 ARG HG2 . . 4.150 2.873 2.592 3.572 . 0 0 "[ . 1 . 2]" 1
908 1 52 ARG HA 1 52 ARG HG3 . . 4.150 2.806 2.244 3.904 . 0 0 "[ . 1 . 2]" 1
909 1 52 ARG HA 1 53 GLN H . . 2.810 2.228 2.141 2.525 . 0 0 "[ . 1 . 2]" 1
910 1 52 ARG HB2 1 52 ARG QD . . 3.410 2.386 2.071 3.439 0.029 18 0 "[ . 1 . 2]" 1
911 1 52 ARG HB3 1 52 ARG HE . . 4.230 3.533 2.391 4.223 . 0 0 "[ . 1 . 2]" 1
912 1 52 ARG HE 1 52 ARG QG . . 3.670 2.486 2.144 3.207 . 0 0 "[ . 1 . 2]" 1
913 1 53 GLN H 1 53 GLN HB2 . . 4.080 3.078 2.569 3.787 . 0 0 "[ . 1 . 2]" 1
914 1 53 GLN H 1 53 GLN QB . . 3.420 2.629 2.392 2.944 . 0 0 "[ . 1 . 2]" 1
915 1 53 GLN H 1 53 GLN HB3 . . 4.080 2.952 2.628 3.696 . 0 0 "[ . 1 . 2]" 1
916 1 53 GLN H 1 54 GLY H . . 5.000 4.364 3.891 4.517 . 0 0 "[ . 1 . 2]" 1
917 1 53 GLN HA 1 53 GLN HG2 . . 4.100 2.954 2.315 3.705 . 0 0 "[ . 1 . 2]" 1
918 1 53 GLN HA 1 53 GLN QG . . 3.430 2.447 2.274 3.313 . 0 0 "[ . 1 . 2]" 1
919 1 53 GLN HA 1 53 GLN HG3 . . 4.100 2.771 2.322 3.747 . 0 0 "[ . 1 . 2]" 1
920 1 53 GLN HA 1 54 GLY H . . 2.960 2.255 2.145 2.398 . 0 0 "[ . 1 . 2]" 1
921 1 53 GLN HB2 1 54 GLY H . . 4.670 4.001 2.625 4.490 . 0 0 "[ . 1 . 2]" 1
922 1 53 GLN HB3 1 54 GLY H . . 4.670 3.755 2.499 4.165 . 0 0 "[ . 1 . 2]" 1
923 1 53 GLN QE 1 53 GLN QG . . 3.100 2.145 2.066 2.315 . 0 0 "[ . 1 . 2]" 1
924 1 53 GLN QG 1 54 GLY H . . 3.650 2.650 1.865 3.506 . 0 0 "[ . 1 . 2]" 1
925 1 53 GLN HG2 1 54 GLY H . . 4.460 2.921 1.902 4.447 . 0 0 "[ . 1 . 2]" 1
926 1 53 GLN HG3 1 54 GLY H . . 4.460 3.349 2.370 4.452 . 0 0 "[ . 1 . 2]" 1
927 1 54 GLY QA 1 55 ILE H . . 3.080 2.176 2.109 2.276 . 0 0 "[ . 1 . 2]" 1
928 1 55 ILE H 1 55 ILE MD . . 4.540 3.850 3.631 4.191 . 0 0 "[ . 1 . 2]" 1
929 1 55 ILE H 1 55 ILE QG . . 3.190 2.145 1.906 2.537 . 0 0 "[ . 1 . 2]" 1
930 1 55 ILE H 1 55 ILE MG . . 3.460 3.030 2.579 3.282 . 0 0 "[ . 1 . 2]" 1
931 1 55 ILE HA 1 55 ILE MD . . 4.740 4.164 4.121 4.182 . 0 0 "[ . 1 . 2]" 1
932 1 55 ILE HA 1 55 ILE MG . . 3.360 2.202 2.124 2.280 . 0 0 "[ . 1 . 2]" 1
933 1 55 ILE HA 1 56 PHE H . . 3.150 2.439 2.376 2.469 . 0 0 "[ . 1 . 2]" 1
934 1 55 ILE HA 1 56 PHE QD . . 4.260 3.630 3.401 3.879 . 0 0 "[ . 1 . 2]" 1
935 1 55 ILE HB 1 55 ILE MD . . 3.450 2.361 2.155 2.524 . 0 0 "[ . 1 . 2]" 1
936 1 55 ILE HB 1 56 PHE H . . 3.470 2.293 2.223 2.441 . 0 0 "[ . 1 . 2]" 1
937 1 55 ILE HB 1 56 PHE HA . . 4.450 4.075 3.973 4.238 . 0 0 "[ . 1 . 2]" 1
938 1 55 ILE MD 1 55 ILE MG . . 3.120 2.104 1.932 2.391 . 0 0 "[ . 1 . 2]" 1
939 1 55 ILE MD 1 56 PHE H . . 5.030 4.155 3.975 4.406 . 0 0 "[ . 1 . 2]" 1
940 1 55 ILE QG 1 56 PHE H . . 4.630 3.599 3.461 3.815 . 0 0 "[ . 1 . 2]" 1
941 1 55 ILE MG 1 56 PHE H . . 4.250 3.542 3.408 3.690 . 0 0 "[ . 1 . 2]" 1
942 1 56 PHE H 1 56 PHE QD . . 3.680 3.485 3.424 3.524 . 0 0 "[ . 1 . 2]" 1
943 1 56 PHE H 1 56 PHE QE . . 5.500 4.623 4.538 4.673 . 0 0 "[ . 1 . 2]" 1
944 1 56 PHE HA 1 57 PRO HD2 . . 3.650 2.422 2.402 2.439 . 0 0 "[ . 1 . 2]" 1
945 1 56 PHE HA 1 57 PRO HD3 . . 3.220 2.306 2.298 2.314 . 0 0 "[ . 1 . 2]" 1
946 1 56 PHE QB 1 57 PRO HD2 . . 3.390 1.985 1.974 2.025 . 0 0 "[ . 1 . 2]" 1
947 1 56 PHE QB 1 57 PRO HD3 . . 3.540 3.291 3.273 3.322 . 0 0 "[ . 1 . 2]" 1
948 1 56 PHE HB2 1 57 PRO HD2 . . 4.250 2.008 1.999 2.050 . 0 0 "[ . 1 . 2]" 1
949 1 56 PHE HB2 1 57 PRO HD3 . . 4.240 3.458 3.450 3.495 . 0 0 "[ . 1 . 2]" 1
950 1 56 PHE HB3 1 57 PRO HD2 . . 4.250 3.125 3.052 3.179 . 0 0 "[ . 1 . 2]" 1
951 1 56 PHE HB3 1 57 PRO HD3 . . 4.240 4.127 4.063 4.175 . 0 0 "[ . 1 . 2]" 1
952 1 56 PHE QD 1 57 PRO HD2 . . 4.520 3.811 3.730 3.890 . 0 0 "[ . 1 . 2]" 1
953 1 56 PHE QD 1 58 ILE HA . . 4.920 3.983 3.864 4.033 . 0 0 "[ . 1 . 2]" 1
954 1 56 PHE QD 1 58 ILE MD . . 4.950 3.958 3.833 4.114 . 0 0 "[ . 1 . 2]" 1
955 1 56 PHE QD 1 60 TYR QB . . 4.780 4.145 3.909 4.279 . 0 0 "[ . 1 . 2]" 1
956 1 56 PHE QD 1 61 VAL MG1 . . 3.950 2.985 2.605 3.494 . 0 0 "[ . 1 . 2]" 1
957 1 56 PHE QD 1 61 VAL MG2 . . 4.440 2.665 2.146 3.066 . 0 0 "[ . 1 . 2]" 1
958 1 56 PHE QE 1 58 ILE HA . . 4.590 4.515 4.256 4.591 0.001 7 0 "[ . 1 . 2]" 1
959 1 56 PHE QE 1 58 ILE MD . . 4.370 4.249 4.051 4.370 . 0 0 "[ . 1 . 2]" 1
960 1 56 PHE QE 1 61 VAL MG1 . . 4.240 3.006 2.426 3.513 . 0 0 "[ . 1 . 2]" 1
961 1 56 PHE QE 1 61 VAL MG2 . . 3.400 2.127 1.950 2.345 . 0 0 "[ . 1 . 2]" 1
962 1 56 PHE HZ 1 61 VAL MG2 . . 5.090 3.976 3.761 4.238 . 0 0 "[ . 1 . 2]" 1
963 1 57 PRO HA 1 58 ILE H . . 3.020 2.413 2.286 2.531 . 0 0 "[ . 1 . 2]" 1
964 1 57 PRO HA 1 59 THR H . . 4.950 4.859 4.737 4.951 0.001 4 0 "[ . 1 . 2]" 1
965 1 57 PRO QB 1 58 ILE H . . 3.470 2.515 2.261 2.811 . 0 0 "[ . 1 . 2]" 1
966 1 57 PRO QB 1 59 THR H . . 4.170 3.391 3.263 3.544 . 0 0 "[ . 1 . 2]" 1
967 1 57 PRO QB 1 60 TYR H . . 3.970 2.945 2.855 3.067 . 0 0 "[ . 1 . 2]" 1
968 1 57 PRO QB 1 60 TYR QB . . 4.550 3.381 3.192 3.581 . 0 0 "[ . 1 . 2]" 1
969 1 57 PRO QB 1 60 TYR QD . . 3.830 2.646 2.449 2.918 . 0 0 "[ . 1 . 2]" 1
970 1 57 PRO QB 1 60 TYR QE . . 4.140 3.915 3.638 4.129 . 0 0 "[ . 1 . 2]" 1
971 1 57 PRO HD2 1 60 TYR QB . . 4.420 3.323 3.195 3.435 . 0 0 "[ . 1 . 2]" 1
972 1 57 PRO HG2 1 60 TYR QD . . 4.650 2.185 1.999 2.515 . 0 0 "[ . 1 . 2]" 1
973 1 57 PRO HG2 1 60 TYR QE . . 4.310 3.702 3.650 3.818 . 0 0 "[ . 1 . 2]" 1
974 1 57 PRO HG3 1 60 TYR H . . 4.840 4.418 4.280 4.576 . 0 0 "[ . 1 . 2]" 1
975 1 57 PRO HG3 1 60 TYR QB . . 4.880 3.646 3.595 3.771 . 0 0 "[ . 1 . 2]" 1
976 1 58 ILE H 1 58 ILE HB . . 3.460 2.829 2.773 2.870 . 0 0 "[ . 1 . 2]" 1
977 1 58 ILE H 1 58 ILE MD . . 4.700 2.578 2.251 3.046 . 0 0 "[ . 1 . 2]" 1
978 1 58 ILE H 1 58 ILE HG12 . . 3.600 1.907 1.896 1.954 . 0 0 "[ . 1 . 2]" 1
979 1 58 ILE H 1 58 ILE HG13 . . 4.210 3.484 3.444 3.509 . 0 0 "[ . 1 . 2]" 1
980 1 58 ILE H 1 58 ILE MG . . 3.800 3.764 3.727 3.800 0.000 7 0 "[ . 1 . 2]" 1
981 1 58 ILE H 1 59 THR H . . 3.410 2.643 2.522 2.816 . 0 0 "[ . 1 . 2]" 1
982 1 58 ILE H 1 59 THR MG . . 5.030 4.205 3.955 4.617 . 0 0 "[ . 1 . 2]" 1
983 1 58 ILE H 1 61 VAL MG2 . . 5.490 4.532 4.265 4.727 . 0 0 "[ . 1 . 2]" 1
984 1 58 ILE HA 1 58 ILE MD . . 3.570 2.238 2.070 2.371 . 0 0 "[ . 1 . 2]" 1
985 1 58 ILE HA 1 58 ILE HG12 . . 3.980 3.422 3.269 3.528 . 0 0 "[ . 1 . 2]" 1
986 1 58 ILE HA 1 58 ILE HG13 . . 3.960 3.849 3.790 3.898 . 0 0 "[ . 1 . 2]" 1
987 1 58 ILE HA 1 58 ILE MG . . 3.680 2.157 2.056 2.226 . 0 0 "[ . 1 . 2]" 1
988 1 58 ILE HA 1 60 TYR H . . 4.610 4.159 3.795 4.519 . 0 0 "[ . 1 . 2]" 1
989 1 58 ILE HA 1 61 VAL MG2 . . 3.610 2.302 2.095 2.531 . 0 0 "[ . 1 . 2]" 1
990 1 58 ILE HB 1 58 ILE MD . . 3.490 3.221 3.209 3.230 . 0 0 "[ . 1 . 2]" 1
991 1 58 ILE HB 1 59 THR H . . 3.510 2.112 2.063 2.189 . 0 0 "[ . 1 . 2]" 1
992 1 58 ILE MD 1 58 ILE MG . . 3.400 2.118 2.047 2.201 . 0 0 "[ . 1 . 2]" 1
993 1 58 ILE MD 1 61 VAL MG2 . . 3.600 3.471 3.301 3.576 . 0 0 "[ . 1 . 2]" 1
994 1 58 ILE HG12 1 59 THR H . . 4.720 3.458 3.358 3.587 . 0 0 "[ . 1 . 2]" 1
995 1 58 ILE MG 1 59 THR H . . 3.800 3.510 3.452 3.607 . 0 0 "[ . 1 . 2]" 1
996 1 58 ILE MG 1 59 THR HA . . 4.350 3.952 3.864 4.064 . 0 0 "[ . 1 . 2]" 1
997 1 58 ILE MG 1 59 THR MG . . 4.330 4.264 4.168 4.331 0.001 15 0 "[ . 1 . 2]" 1
998 1 59 THR H 1 59 THR HB . . 4.180 3.648 3.621 3.654 . 0 0 "[ . 1 . 2]" 1
999 1 59 THR H 1 59 THR MG . . 3.290 2.195 1.998 2.430 . 0 0 "[ . 1 . 2]" 1
1000 1 59 THR H 1 60 TYR H . . 3.640 3.050 2.928 3.157 . 0 0 "[ . 1 . 2]" 1
1001 1 59 THR HA 1 59 THR MG . . 3.180 2.272 2.157 2.388 . 0 0 "[ . 1 . 2]" 1
1002 1 59 THR HA 1 61 VAL H . . 4.810 4.679 4.470 4.793 . 0 0 "[ . 1 . 2]" 1
1003 1 59 THR MG 1 60 TYR H . . 4.860 3.948 3.810 4.176 . 0 0 "[ . 1 . 2]" 1
1004 1 59 THR MG 1 60 TYR QD . . 4.900 4.552 4.248 4.788 . 0 0 "[ . 1 . 2]" 1
1005 1 60 TYR H 1 60 TYR HB2 . . 3.920 2.241 2.178 2.315 . 0 0 "[ . 1 . 2]" 1
1006 1 60 TYR H 1 60 TYR QB . . 3.120 2.217 2.158 2.287 . 0 0 "[ . 1 . 2]" 1
1007 1 60 TYR H 1 60 TYR HB3 . . 3.920 3.525 3.486 3.560 . 0 0 "[ . 1 . 2]" 1
1008 1 60 TYR H 1 60 TYR QD . . 3.860 2.237 2.030 2.554 . 0 0 "[ . 1 . 2]" 1
1009 1 60 TYR H 1 60 TYR QE . . 4.840 4.547 4.358 4.835 . 0 0 "[ . 1 . 2]" 1
1010 1 60 TYR H 1 61 VAL H . . 3.360 2.818 2.607 3.015 . 0 0 "[ . 1 . 2]" 1
1011 1 60 TYR H 1 61 VAL MG1 . . 4.850 4.564 4.291 4.840 . 0 0 "[ . 1 . 2]" 1
1012 1 60 TYR H 1 61 VAL MG2 . . 4.690 4.158 3.905 4.333 . 0 0 "[ . 1 . 2]" 1
1013 1 60 TYR QB 1 61 VAL H . . 4.450 2.471 2.376 2.557 . 0 0 "[ . 1 . 2]" 1
1014 1 60 TYR HB2 1 61 VAL MG1 . . 4.520 3.216 2.989 3.714 . 0 0 "[ . 1 . 2]" 1
1015 1 60 TYR HB3 1 61 VAL MG1 . . 4.520 2.820 2.617 3.112 . 0 0 "[ . 1 . 2]" 1
1016 1 61 VAL H 1 61 VAL MG1 . . 3.780 2.475 2.215 2.953 . 0 0 "[ . 1 . 2]" 1
1017 1 61 VAL H 1 61 VAL MG2 . . 3.210 2.018 1.881 2.184 . 0 0 "[ . 1 . 2]" 1
1018 1 61 VAL H 1 62 ASP H . . 4.880 4.465 4.368 4.579 . 0 0 "[ . 1 . 2]" 1
1019 1 61 VAL HA 1 61 VAL MG1 . . 3.360 2.422 2.307 2.491 . 0 0 "[ . 1 . 2]" 1
1020 1 61 VAL HA 1 62 ASP H . . 3.150 2.201 2.140 2.412 . 0 0 "[ . 1 . 2]" 1
1021 1 61 VAL HB 1 62 ASP H . . 3.410 3.095 2.365 3.410 0.000 14 0 "[ . 1 . 2]" 1
1022 1 61 VAL MG1 1 62 ASP H . . 4.130 3.964 3.665 4.130 0.000 9 0 "[ . 1 . 2]" 1
1023 1 61 VAL MG2 1 62 ASP H . . 4.110 3.797 3.236 4.060 . 0 0 "[ . 1 . 2]" 1
1024 1 61 VAL MG2 1 63 VAL H . . 4.870 3.915 3.157 4.528 . 0 0 "[ . 1 . 2]" 1
1025 1 62 ASP H 1 62 ASP HB2 . . 4.060 3.039 2.247 3.515 . 0 0 "[ . 1 . 2]" 1
1026 1 62 ASP H 1 62 ASP QB . . 3.360 2.312 2.159 2.515 . 0 0 "[ . 1 . 2]" 1
1027 1 62 ASP H 1 62 ASP HB3 . . 4.060 2.480 2.202 3.514 . 0 0 "[ . 1 . 2]" 1
1028 1 62 ASP H 1 63 VAL H . . 5.500 4.233 3.881 4.451 . 0 0 "[ . 1 . 2]" 1
1029 1 62 ASP HA 1 63 VAL H . . 2.820 2.162 2.140 2.333 . 0 0 "[ . 1 . 2]" 1
1030 1 62 ASP HA 1 63 VAL QG . . 4.350 3.634 3.477 3.780 . 0 0 "[ . 1 . 2]" 1
1031 1 62 ASP QB 1 63 VAL H . . 3.900 3.885 3.811 3.907 0.007 9 0 "[ . 1 . 2]" 1
1032 1 62 ASP HB2 1 63 VAL H . . 4.630 4.305 4.109 4.596 . 0 0 "[ . 1 . 2]" 1
1033 1 62 ASP HB3 1 63 VAL H . . 4.630 4.448 4.156 4.571 . 0 0 "[ . 1 . 2]" 1
1034 1 63 VAL H 1 63 VAL HB . . 3.130 2.603 2.493 2.934 . 0 0 "[ . 1 . 2]" 1
1035 1 63 VAL H 1 63 VAL MG1 . . 4.290 3.046 1.861 3.775 . 0 0 "[ . 1 . 2]" 1
1036 1 63 VAL H 1 63 VAL QG . . 3.130 2.097 1.857 2.374 . 0 0 "[ . 1 . 2]" 1
1037 1 63 VAL H 1 63 VAL MG2 . . 4.290 2.828 2.010 3.788 . 0 0 "[ . 1 . 2]" 1
1038 1 63 VAL HA 1 63 VAL MG1 . . 3.380 2.701 2.297 3.202 . 0 0 "[ . 1 . 2]" 1
1039 1 63 VAL HA 1 63 VAL MG2 . . 3.380 2.379 2.265 2.530 . 0 0 "[ . 1 . 2]" 1
1040 1 63 VAL HA 1 64 ILE H . . 3.000 2.169 2.141 2.240 . 0 0 "[ . 1 . 2]" 1
1041 1 63 VAL HA 1 64 ILE MD . . 4.890 3.696 2.691 4.839 . 0 0 "[ . 1 . 2]" 1
1042 1 63 VAL HB 1 64 ILE H . . 4.880 4.132 3.819 4.341 . 0 0 "[ . 1 . 2]" 1
1043 1 63 VAL QG 1 64 ILE H . . 3.430 2.459 1.995 2.896 . 0 0 "[ . 1 . 2]" 1
1044 1 63 VAL QG 1 64 ILE HA . . 4.550 3.803 3.545 4.117 . 0 0 "[ . 1 . 2]" 1
1045 1 63 VAL QG 1 65 SER H . . 3.840 2.678 2.129 3.181 . 0 0 "[ . 1 . 2]" 1
1046 1 63 VAL QG 1 66 GLY QA . . 4.630 3.126 1.802 4.286 . 0 0 "[ . 1 . 2]" 1
1047 1 63 VAL MG1 1 64 ILE H . . 4.410 3.097 2.001 4.091 . 0 0 "[ . 1 . 2]" 1
1048 1 63 VAL MG2 1 64 ILE H . . 4.410 3.415 2.239 4.201 . 0 0 "[ . 1 . 2]" 1
1049 1 64 ILE H 1 64 ILE HB . . 3.590 2.532 2.448 2.584 . 0 0 "[ . 1 . 2]" 1
1050 1 64 ILE H 1 64 ILE MD . . 4.610 2.558 1.865 3.586 . 0 0 "[ . 1 . 2]" 1
1051 1 64 ILE H 1 64 ILE HG12 . . 3.960 3.783 2.090 3.961 0.001 18 0 "[ . 1 . 2]" 1
1052 1 64 ILE H 1 64 ILE QG . . 3.330 2.691 2.077 3.122 . 0 0 "[ . 1 . 2]" 1
1053 1 64 ILE H 1 64 ILE HG13 . . 3.960 2.837 2.240 3.606 . 0 0 "[ . 1 . 2]" 1
1054 1 64 ILE H 1 64 ILE MG . . 3.920 3.785 3.756 3.822 . 0 0 "[ . 1 . 2]" 1
1055 1 64 ILE H 1 65 SER H . . 3.520 2.565 2.362 2.985 . 0 0 "[ . 1 . 2]" 1
1056 1 64 ILE HA 1 64 ILE MD . . 4.030 3.510 2.076 3.914 . 0 0 "[ . 1 . 2]" 1
1057 1 64 ILE HA 1 64 ILE QG . . 3.630 2.418 2.264 2.961 . 0 0 "[ . 1 . 2]" 1
1058 1 64 ILE HA 1 64 ILE MG . . 3.310 2.354 2.257 2.425 . 0 0 "[ . 1 . 2]" 1
1059 1 64 ILE HB 1 64 ILE MD . . 3.500 2.236 2.088 3.228 . 0 0 "[ . 1 . 2]" 1
1060 1 64 ILE HB 1 65 SER H . . 4.000 2.289 1.937 2.560 . 0 0 "[ . 1 . 2]" 1
1061 1 64 ILE HB 1 65 SER QB . . 4.610 3.807 3.514 4.091 . 0 0 "[ . 1 . 2]" 1
1062 1 64 ILE MG 1 65 SER H . . 4.650 3.202 2.898 3.456 . 0 0 "[ . 1 . 2]" 1
1063 1 64 ILE MG 1 65 SER QB . . 4.300 3.911 3.382 4.294 . 0 0 "[ . 1 . 2]" 1
1064 1 65 SER H 1 65 SER QB . . 3.820 2.292 2.167 2.505 . 0 0 "[ . 1 . 2]" 1
1065 1 65 SER QB 1 66 GLY H . . 4.370 3.625 2.197 4.019 . 0 0 "[ . 1 . 2]" 1
1066 1 66 GLY QA 1 67 PRO QD . . 2.780 1.976 1.907 2.034 . 0 0 "[ . 1 . 2]" 1
1067 1 66 GLY HA2 1 67 PRO HD2 . . 3.740 2.939 2.258 3.762 0.022 6 0 "[ . 1 . 2]" 1
1068 1 66 GLY HA2 1 67 PRO HD3 . . 3.740 2.750 2.259 3.751 0.011 6 0 "[ . 1 . 2]" 1
1069 1 66 GLY HA3 1 67 PRO HD2 . . 3.740 2.272 1.997 2.785 . 0 0 "[ . 1 . 2]" 1
1070 1 66 GLY HA3 1 67 PRO HD3 . . 3.740 2.991 2.255 3.629 . 0 0 "[ . 1 . 2]" 1
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